USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 795 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -114:sc= -0.706 (180deg=-4.98!) USER MOD Single : A 9 THR OG1 : rot -84:sc= -1.47 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -143:sc= -0.455 USER MOD Single : A 19 THR OG1 : rot -138:sc= -0.795 USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= -0.0616 (180deg=-0.422) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.124 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -7.05! C(o=-7.1!,f=-7.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -75:sc= 1.27 USER MOD Single : A 49 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.27) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00801 (180deg=-0.151) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-9.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0756) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 92 GLN : amide:sc= 0.0967 K(o=0.097,f=-1.6!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.461 1.901 -0.537 1.00 24.42 N ATOM 2 CA MET A 1 2.141 2.772 -1.488 1.00 1.41 C ATOM 3 C MET A 1 3.639 2.824 -1.204 1.00 31.11 C ATOM 4 O MET A 1 4.150 3.820 -0.690 1.00 74.13 O ATOM 5 CB MET A 1 1.551 4.183 -1.432 1.00 33.33 C ATOM 6 CG MET A 1 0.223 4.315 -2.159 1.00 73.04 C ATOM 7 SD MET A 1 0.338 5.347 -3.633 1.00 41.03 S ATOM 8 CE MET A 1 -1.334 5.226 -4.263 1.00 71.45 C ATOM 0 H1 MET A 1 0.443 1.882 -0.750 1.00 24.42 H new ATOM 0 H2 MET A 1 1.848 0.939 -0.609 1.00 24.42 H new ATOM 0 H3 MET A 1 1.606 2.261 0.428 1.00 24.42 H new ATOM 0 HA MET A 1 1.993 2.363 -2.487 1.00 1.41 H new ATOM 0 HB2 MET A 1 1.415 4.470 -0.389 1.00 33.33 H new ATOM 0 HB3 MET A 1 2.264 4.884 -1.865 1.00 33.33 H new ATOM 0 HG2 MET A 1 -0.133 3.324 -2.441 1.00 73.04 H new ATOM 0 HG3 MET A 1 -0.518 4.738 -1.481 1.00 73.04 H new ATOM 0 HE1 MET A 1 -1.422 5.814 -5.177 1.00 71.45 H new ATOM 0 HE2 MET A 1 -1.567 4.183 -4.478 1.00 71.45 H new ATOM 0 HE3 MET A 1 -2.032 5.607 -3.518 1.00 71.45 H new ATOM 18 N HIS A 2 4.338 1.745 -1.541 1.00 22.21 N ATOM 19 CA HIS A 2 5.778 1.668 -1.322 1.00 62.11 C ATOM 20 C HIS A 2 6.539 1.892 -2.626 1.00 14.23 C ATOM 21 O HIS A 2 7.566 2.571 -2.648 1.00 32.54 O ATOM 22 CB HIS A 2 6.153 0.311 -0.727 1.00 21.55 C ATOM 23 CG HIS A 2 5.957 0.232 0.756 1.00 13.22 C ATOM 24 ND1 HIS A 2 6.893 -0.309 1.612 1.00 71.12 N ATOM 25 CD2 HIS A 2 4.924 0.632 1.535 1.00 44.41 C ATOM 26 CE1 HIS A 2 6.444 -0.240 2.852 1.00 21.24 C ATOM 27 NE2 HIS A 2 5.252 0.328 2.833 1.00 33.52 N ATOM 0 H HIS A 2 3.931 0.912 -1.967 1.00 22.21 H new ATOM 0 HA HIS A 2 6.056 2.454 -0.620 1.00 62.11 H new ATOM 0 HB2 HIS A 2 5.555 -0.464 -1.206 1.00 21.55 H new ATOM 0 HB3 HIS A 2 7.196 0.098 -0.959 1.00 21.55 H new ATOM 0 HD2 HIS A 2 4.012 1.102 1.198 1.00 44.41 H new ATOM 0 HE1 HIS A 2 6.963 -0.589 3.732 1.00 21.24 H new ATOM 0 HE2 HIS A 2 4.670 0.511 3.650 1.00 33.52 H new ATOM 35 N ASP A 3 6.028 1.318 -3.709 1.00 72.21 N ATOM 36 CA ASP A 3 6.658 1.455 -5.017 1.00 4.22 C ATOM 37 C ASP A 3 6.311 2.799 -5.649 1.00 2.40 C ATOM 38 O ASP A 3 7.118 3.384 -6.372 1.00 64.31 O ATOM 39 CB ASP A 3 6.222 0.316 -5.939 1.00 62.13 C ATOM 40 CG ASP A 3 6.382 -1.046 -5.293 1.00 34.04 C ATOM 41 OD1 ASP A 3 7.493 -1.346 -4.809 1.00 31.30 O ATOM 42 OD2 ASP A 3 5.395 -1.812 -5.271 1.00 2.02 O ATOM 0 H ASP A 3 5.179 0.753 -3.707 1.00 72.21 H new ATOM 0 HA ASP A 3 7.738 1.407 -4.879 1.00 4.22 H new ATOM 0 HB2 ASP A 3 5.179 0.460 -6.222 1.00 62.13 H new ATOM 0 HB3 ASP A 3 6.809 0.351 -6.857 1.00 62.13 H new ATOM 47 N TYR A 4 5.106 3.284 -5.372 1.00 74.53 N ATOM 48 CA TYR A 4 4.650 4.557 -5.917 1.00 1.23 C ATOM 49 C TYR A 4 5.361 5.725 -5.239 1.00 35.32 C ATOM 50 O TYR A 4 5.589 6.767 -5.853 1.00 3.32 O ATOM 51 CB TYR A 4 3.137 4.697 -5.744 1.00 54.25 C ATOM 52 CG TYR A 4 2.552 5.888 -6.470 1.00 3.32 C ATOM 53 CD1 TYR A 4 2.544 7.148 -5.884 1.00 35.12 C ATOM 54 CD2 TYR A 4 2.010 5.754 -7.742 1.00 72.10 C ATOM 55 CE1 TYR A 4 2.010 8.239 -6.543 1.00 30.54 C ATOM 56 CE2 TYR A 4 1.475 6.839 -8.409 1.00 4.30 C ATOM 57 CZ TYR A 4 1.477 8.079 -7.805 1.00 4.30 C ATOM 58 OH TYR A 4 0.946 9.164 -8.465 1.00 62.52 O ATOM 0 H TYR A 4 4.427 2.815 -4.773 1.00 74.53 H new ATOM 0 HA TYR A 4 4.891 4.576 -6.980 1.00 1.23 H new ATOM 0 HB2 TYR A 4 2.653 3.789 -6.104 1.00 54.25 H new ATOM 0 HB3 TYR A 4 2.907 4.781 -4.682 1.00 54.25 H new ATOM 0 HD1 TYR A 4 2.962 7.277 -4.897 1.00 35.12 H new ATOM 0 HD2 TYR A 4 2.007 4.784 -8.218 1.00 72.10 H new ATOM 0 HE1 TYR A 4 2.010 9.211 -6.073 1.00 30.54 H new ATOM 0 HE2 TYR A 4 1.058 6.717 -9.398 1.00 4.30 H new ATOM 0 HH TYR A 4 0.613 8.882 -9.343 1.00 62.52 H new ATOM 68 N ILE A 5 5.707 5.541 -3.969 1.00 42.13 N ATOM 69 CA ILE A 5 6.393 6.577 -3.208 1.00 3.42 C ATOM 70 C ILE A 5 7.891 6.570 -3.495 1.00 51.42 C ATOM 71 O ILE A 5 8.565 7.592 -3.361 1.00 21.20 O ATOM 72 CB ILE A 5 6.172 6.403 -1.694 1.00 12.23 C ATOM 73 CG1 ILE A 5 6.761 7.591 -0.930 1.00 12.00 C ATOM 74 CG2 ILE A 5 6.791 5.099 -1.214 1.00 60.24 C ATOM 75 CD1 ILE A 5 8.183 7.366 -0.467 1.00 1.25 C ATOM 0 H ILE A 5 5.523 4.685 -3.446 1.00 42.13 H new ATOM 0 HA ILE A 5 5.970 7.531 -3.522 1.00 3.42 H new ATOM 0 HB ILE A 5 5.100 6.366 -1.501 1.00 12.23 H new ATOM 0 HG12 ILE A 5 6.731 8.474 -1.568 1.00 12.00 H new ATOM 0 HG13 ILE A 5 6.134 7.802 -0.063 1.00 12.00 H new ATOM 0 HG21 ILE A 5 6.626 4.991 -0.142 1.00 60.24 H new ATOM 0 HG22 ILE A 5 6.329 4.262 -1.738 1.00 60.24 H new ATOM 0 HG23 ILE A 5 7.862 5.108 -1.417 1.00 60.24 H new ATOM 0 HD11 ILE A 5 8.536 8.248 0.067 1.00 1.25 H new ATOM 0 HD12 ILE A 5 8.217 6.502 0.197 1.00 1.25 H new ATOM 0 HD13 ILE A 5 8.823 7.185 -1.331 1.00 1.25 H new ATOM 87 N LYS A 6 8.406 5.412 -3.893 1.00 52.14 N ATOM 88 CA LYS A 6 9.823 5.271 -4.204 1.00 25.11 C ATOM 89 C LYS A 6 10.251 6.278 -5.267 1.00 13.24 C ATOM 90 O LYS A 6 11.418 6.660 -5.338 1.00 63.02 O ATOM 91 CB LYS A 6 10.122 3.849 -4.684 1.00 62.04 C ATOM 92 CG LYS A 6 10.012 3.680 -6.190 1.00 32.11 C ATOM 93 CD LYS A 6 11.344 3.926 -6.878 1.00 1.22 C ATOM 94 CE LYS A 6 11.740 2.753 -7.761 1.00 44.33 C ATOM 95 NZ LYS A 6 11.797 1.477 -6.996 1.00 72.13 N ATOM 0 H LYS A 6 7.862 4.557 -4.008 1.00 52.14 H new ATOM 0 HA LYS A 6 10.390 5.468 -3.294 1.00 25.11 H new ATOM 0 HB2 LYS A 6 11.128 3.572 -4.368 1.00 62.04 H new ATOM 0 HB3 LYS A 6 9.433 3.158 -4.198 1.00 62.04 H new ATOM 0 HG2 LYS A 6 9.664 2.673 -6.419 1.00 32.11 H new ATOM 0 HG3 LYS A 6 9.266 4.372 -6.581 1.00 32.11 H new ATOM 0 HD2 LYS A 6 11.281 4.832 -7.481 1.00 1.22 H new ATOM 0 HD3 LYS A 6 12.116 4.095 -6.128 1.00 1.22 H new ATOM 0 HE2 LYS A 6 11.024 2.655 -8.577 1.00 44.33 H new ATOM 0 HE3 LYS A 6 12.713 2.950 -8.212 1.00 44.33 H new ATOM 0 HZ1 LYS A 6 12.779 1.136 -6.962 1.00 72.13 H new ATOM 0 HZ2 LYS A 6 11.453 1.637 -6.028 1.00 72.13 H new ATOM 0 HZ3 LYS A 6 11.199 0.765 -7.463 1.00 72.13 H new ATOM 109 N GLU A 7 9.297 6.705 -6.088 1.00 40.24 N ATOM 110 CA GLU A 7 9.576 7.669 -7.146 1.00 43.13 C ATOM 111 C GLU A 7 9.553 9.095 -6.603 1.00 52.02 C ATOM 112 O GLU A 7 10.167 9.997 -7.172 1.00 43.42 O ATOM 113 CB GLU A 7 8.558 7.526 -8.279 1.00 15.21 C ATOM 114 CG GLU A 7 8.434 6.109 -8.812 1.00 25.44 C ATOM 115 CD GLU A 7 7.737 6.049 -10.157 1.00 12.34 C ATOM 116 OE1 GLU A 7 7.277 7.107 -10.635 1.00 3.45 O ATOM 117 OE2 GLU A 7 7.651 4.944 -10.731 1.00 73.33 O ATOM 0 H GLU A 7 8.325 6.399 -6.041 1.00 40.24 H new ATOM 0 HA GLU A 7 10.573 7.463 -7.536 1.00 43.13 H new ATOM 0 HB2 GLU A 7 7.583 7.858 -7.923 1.00 15.21 H new ATOM 0 HB3 GLU A 7 8.842 8.189 -9.096 1.00 15.21 H new ATOM 0 HG2 GLU A 7 9.428 5.671 -8.903 1.00 25.44 H new ATOM 0 HG3 GLU A 7 7.882 5.502 -8.094 1.00 25.44 H new ATOM 124 N ARG A 8 8.839 9.290 -5.499 1.00 72.24 N ATOM 125 CA ARG A 8 8.733 10.605 -4.880 1.00 1.40 C ATOM 126 C ARG A 8 10.116 11.179 -4.583 1.00 34.01 C ATOM 127 O ARG A 8 10.324 12.391 -4.646 1.00 42.05 O ATOM 128 CB ARG A 8 7.916 10.521 -3.589 1.00 62.24 C ATOM 129 CG ARG A 8 7.037 11.736 -3.344 1.00 52.15 C ATOM 130 CD ARG A 8 5.701 11.611 -4.061 1.00 22.35 C ATOM 131 NE ARG A 8 4.872 12.800 -3.884 1.00 34.42 N ATOM 132 CZ ARG A 8 4.191 13.062 -2.774 1.00 11.33 C ATOM 133 NH1 ARG A 8 4.241 12.225 -1.747 1.00 64.32 N ATOM 134 NH2 ARG A 8 3.458 14.165 -2.689 1.00 1.22 N ATOM 0 H ARG A 8 8.325 8.553 -5.015 1.00 72.24 H new ATOM 0 HA ARG A 8 8.225 11.268 -5.580 1.00 1.40 H new ATOM 0 HB2 ARG A 8 7.289 9.630 -3.624 1.00 62.24 H new ATOM 0 HB3 ARG A 8 8.596 10.399 -2.746 1.00 62.24 H new ATOM 0 HG2 ARG A 8 6.867 11.854 -2.274 1.00 52.15 H new ATOM 0 HG3 ARG A 8 7.552 12.634 -3.686 1.00 52.15 H new ATOM 0 HD2 ARG A 8 5.874 11.445 -5.124 1.00 22.35 H new ATOM 0 HD3 ARG A 8 5.168 10.738 -3.685 1.00 22.35 H new ATOM 0 HE ARG A 8 4.813 13.466 -4.655 1.00 34.42 H new ATOM 0 HH11 ARG A 8 4.804 11.376 -1.808 1.00 64.32 H new ATOM 0 HH12 ARG A 8 3.717 12.430 -0.896 1.00 64.32 H new ATOM 0 HH21 ARG A 8 3.417 14.812 -3.476 1.00 1.22 H new ATOM 0 HH22 ARG A 8 2.935 14.366 -1.836 1.00 1.22 H new ATOM 148 N THR A 9 11.058 10.300 -4.257 1.00 61.33 N ATOM 149 CA THR A 9 12.420 10.718 -3.949 1.00 33.24 C ATOM 150 C THR A 9 13.235 10.920 -5.221 1.00 34.11 C ATOM 151 O THR A 9 14.158 11.734 -5.255 1.00 30.21 O ATOM 152 CB THR A 9 13.134 9.688 -3.053 1.00 2.31 C ATOM 153 OG1 THR A 9 14.507 10.058 -2.880 1.00 14.31 O ATOM 154 CG2 THR A 9 13.052 8.295 -3.658 1.00 53.01 C ATOM 0 H THR A 9 10.903 9.294 -4.199 1.00 61.33 H new ATOM 0 HA THR A 9 12.347 11.665 -3.415 1.00 33.24 H new ATOM 0 HB THR A 9 12.636 9.676 -2.084 1.00 2.31 H new ATOM 0 HG1 THR A 9 15.033 9.729 -3.639 1.00 14.31 H new ATOM 0 HG21 THR A 9 13.563 7.585 -3.008 1.00 53.01 H new ATOM 0 HG22 THR A 9 12.007 8.004 -3.762 1.00 53.01 H new ATOM 0 HG23 THR A 9 13.527 8.296 -4.639 1.00 53.01 H new ATOM 162 N ILE A 10 12.887 10.175 -6.265 1.00 40.20 N ATOM 163 CA ILE A 10 13.586 10.275 -7.540 1.00 60.22 C ATOM 164 C ILE A 10 13.694 11.726 -7.996 1.00 23.01 C ATOM 165 O ILE A 10 14.769 12.190 -8.379 1.00 34.12 O ATOM 166 CB ILE A 10 12.878 9.456 -8.636 1.00 21.13 C ATOM 167 CG1 ILE A 10 12.982 7.960 -8.332 1.00 35.12 C ATOM 168 CG2 ILE A 10 13.476 9.767 -10.000 1.00 10.55 C ATOM 169 CD1 ILE A 10 14.402 7.440 -8.331 1.00 1.33 C ATOM 0 H ILE A 10 12.126 9.496 -6.253 1.00 40.20 H new ATOM 0 HA ILE A 10 14.586 9.870 -7.384 1.00 60.22 H new ATOM 0 HB ILE A 10 11.824 9.733 -8.652 1.00 21.13 H new ATOM 0 HG12 ILE A 10 12.531 7.763 -7.359 1.00 35.12 H new ATOM 0 HG13 ILE A 10 12.402 7.406 -9.070 1.00 35.12 H new ATOM 0 HG21 ILE A 10 12.965 9.180 -10.764 1.00 10.55 H new ATOM 0 HG22 ILE A 10 13.355 10.828 -10.217 1.00 10.55 H new ATOM 0 HG23 ILE A 10 14.537 9.515 -9.998 1.00 10.55 H new ATOM 0 HD11 ILE A 10 14.399 6.373 -8.108 1.00 1.33 H new ATOM 0 HD12 ILE A 10 14.851 7.605 -9.311 1.00 1.33 H new ATOM 0 HD13 ILE A 10 14.982 7.967 -7.573 1.00 1.33 H new ATOM 181 N LYS A 11 12.574 12.440 -7.951 1.00 25.45 N ATOM 182 CA LYS A 11 12.542 13.840 -8.355 1.00 61.04 C ATOM 183 C LYS A 11 13.535 14.664 -7.542 1.00 41.55 C ATOM 184 O LYS A 11 14.215 15.540 -8.079 1.00 14.20 O ATOM 185 CB LYS A 11 11.132 14.409 -8.186 1.00 75.20 C ATOM 186 CG LYS A 11 10.044 13.518 -8.761 1.00 54.41 C ATOM 187 CD LYS A 11 8.689 14.206 -8.735 1.00 73.21 C ATOM 188 CE LYS A 11 7.615 13.347 -9.386 1.00 44.01 C ATOM 189 NZ LYS A 11 6.488 14.169 -9.906 1.00 74.44 N ATOM 0 H LYS A 11 11.676 12.071 -7.638 1.00 25.45 H new ATOM 0 HA LYS A 11 12.826 13.895 -9.406 1.00 61.04 H new ATOM 0 HB2 LYS A 11 10.938 14.567 -7.125 1.00 75.20 H new ATOM 0 HB3 LYS A 11 11.083 15.385 -8.668 1.00 75.20 H new ATOM 0 HG2 LYS A 11 10.297 13.249 -9.787 1.00 54.41 H new ATOM 0 HG3 LYS A 11 9.993 12.590 -8.191 1.00 54.41 H new ATOM 0 HD2 LYS A 11 8.409 14.421 -7.704 1.00 73.21 H new ATOM 0 HD3 LYS A 11 8.755 15.162 -9.254 1.00 73.21 H new ATOM 0 HE2 LYS A 11 8.054 12.774 -10.203 1.00 44.01 H new ATOM 0 HE3 LYS A 11 7.235 12.628 -8.660 1.00 44.01 H new ATOM 0 HZ1 LYS A 11 5.777 13.547 -10.342 1.00 74.44 H new ATOM 0 HZ2 LYS A 11 6.053 14.697 -9.123 1.00 74.44 H new ATOM 0 HZ3 LYS A 11 6.846 14.838 -10.617 1.00 74.44 H new ATOM 203 N ILE A 12 13.615 14.378 -6.248 1.00 33.15 N ATOM 204 CA ILE A 12 14.527 15.092 -5.362 1.00 73.44 C ATOM 205 C ILE A 12 15.980 14.798 -5.718 1.00 42.11 C ATOM 206 O ILE A 12 16.756 15.709 -6.005 1.00 21.31 O ATOM 207 CB ILE A 12 14.286 14.720 -3.887 1.00 71.23 C ATOM 208 CG1 ILE A 12 12.820 14.947 -3.514 1.00 55.33 C ATOM 209 CG2 ILE A 12 15.201 15.530 -2.981 1.00 34.22 C ATOM 210 CD1 ILE A 12 12.490 14.555 -2.091 1.00 3.01 C ATOM 0 H ILE A 12 13.059 13.657 -5.789 1.00 33.15 H new ATOM 0 HA ILE A 12 14.330 16.156 -5.496 1.00 73.44 H new ATOM 0 HB ILE A 12 14.516 13.663 -3.751 1.00 71.23 H new ATOM 0 HG12 ILE A 12 12.576 15.999 -3.658 1.00 55.33 H new ATOM 0 HG13 ILE A 12 12.188 14.377 -4.195 1.00 55.33 H new ATOM 0 HG21 ILE A 12 15.019 15.256 -1.942 1.00 34.22 H new ATOM 0 HG22 ILE A 12 16.241 15.322 -3.234 1.00 34.22 H new ATOM 0 HG23 ILE A 12 15.000 16.593 -3.117 1.00 34.22 H new ATOM 0 HD11 ILE A 12 11.434 14.743 -1.897 1.00 3.01 H new ATOM 0 HD12 ILE A 12 12.702 13.496 -1.947 1.00 3.01 H new ATOM 0 HD13 ILE A 12 13.096 15.143 -1.402 1.00 3.01 H new ATOM 222 N GLY A 13 16.342 13.519 -5.699 1.00 30.30 N ATOM 223 CA GLY A 13 17.701 13.127 -6.023 1.00 3.20 C ATOM 224 C GLY A 13 18.138 13.623 -7.387 1.00 51.12 C ATOM 225 O GLY A 13 19.320 13.883 -7.613 1.00 61.51 O ATOM 0 H GLY A 13 15.718 12.747 -5.465 1.00 30.30 H new ATOM 0 HA2 GLY A 13 18.379 13.517 -5.264 1.00 3.20 H new ATOM 0 HA3 GLY A 13 17.779 12.040 -5.993 1.00 3.20 H new ATOM 229 N LYS A 14 17.182 13.754 -8.301 1.00 3.20 N ATOM 230 CA LYS A 14 17.473 14.222 -9.651 1.00 71.32 C ATOM 231 C LYS A 14 17.460 15.746 -9.714 1.00 31.31 C ATOM 232 O LYS A 14 18.095 16.346 -10.581 1.00 3.43 O ATOM 233 CB LYS A 14 16.455 13.651 -10.641 1.00 14.22 C ATOM 234 CG LYS A 14 16.458 12.134 -10.710 1.00 61.14 C ATOM 235 CD LYS A 14 17.233 11.633 -11.918 1.00 20.13 C ATOM 236 CE LYS A 14 16.968 10.158 -12.177 1.00 23.31 C ATOM 237 NZ LYS A 14 16.225 9.943 -13.449 1.00 63.25 N ATOM 0 H LYS A 14 16.199 13.543 -8.131 1.00 3.20 H new ATOM 0 HA LYS A 14 18.470 13.874 -9.922 1.00 71.32 H new ATOM 0 HB2 LYS A 14 15.458 13.992 -10.361 1.00 14.22 H new ATOM 0 HB3 LYS A 14 16.662 14.052 -11.633 1.00 14.22 H new ATOM 0 HG2 LYS A 14 16.899 11.728 -9.800 1.00 61.14 H new ATOM 0 HG3 LYS A 14 15.432 11.769 -10.757 1.00 61.14 H new ATOM 0 HD2 LYS A 14 16.954 12.214 -12.797 1.00 20.13 H new ATOM 0 HD3 LYS A 14 18.300 11.790 -11.758 1.00 20.13 H new ATOM 0 HE2 LYS A 14 17.915 9.620 -12.214 1.00 23.31 H new ATOM 0 HE3 LYS A 14 16.397 9.741 -11.348 1.00 23.31 H new ATOM 0 HZ1 LYS A 14 16.064 8.925 -13.589 1.00 63.25 H new ATOM 0 HZ2 LYS A 14 15.310 10.435 -13.404 1.00 63.25 H new ATOM 0 HZ3 LYS A 14 16.781 10.318 -14.244 1.00 63.25 H new ATOM 251 N TYR A 15 16.734 16.365 -8.790 1.00 30.13 N ATOM 252 CA TYR A 15 16.638 17.819 -8.741 1.00 10.01 C ATOM 253 C TYR A 15 17.855 18.422 -8.046 1.00 52.31 C ATOM 254 O TYR A 15 18.406 19.427 -8.496 1.00 54.44 O ATOM 255 CB TYR A 15 15.360 18.243 -8.015 1.00 20.41 C ATOM 256 CG TYR A 15 15.112 19.734 -8.045 1.00 63.14 C ATOM 257 CD1 TYR A 15 15.715 20.577 -7.120 1.00 21.12 C ATOM 258 CD2 TYR A 15 14.275 20.300 -8.999 1.00 32.34 C ATOM 259 CE1 TYR A 15 15.491 21.940 -7.143 1.00 43.02 C ATOM 260 CE2 TYR A 15 14.046 21.662 -9.031 1.00 24.35 C ATOM 261 CZ TYR A 15 14.657 22.478 -8.101 1.00 34.43 C ATOM 262 OH TYR A 15 14.430 23.835 -8.128 1.00 64.32 O ATOM 0 H TYR A 15 16.203 15.883 -8.065 1.00 30.13 H new ATOM 0 HA TYR A 15 16.606 18.190 -9.765 1.00 10.01 H new ATOM 0 HB2 TYR A 15 14.509 17.733 -8.467 1.00 20.41 H new ATOM 0 HB3 TYR A 15 15.415 17.913 -6.978 1.00 20.41 H new ATOM 0 HD1 TYR A 15 16.370 20.160 -6.370 1.00 21.12 H new ATOM 0 HD2 TYR A 15 13.795 19.664 -9.728 1.00 32.34 H new ATOM 0 HE1 TYR A 15 15.966 22.581 -6.415 1.00 43.02 H new ATOM 0 HE2 TYR A 15 13.393 22.086 -9.779 1.00 24.35 H new ATOM 0 HH TYR A 15 13.497 24.006 -8.374 1.00 64.32 H new ATOM 272 N ILE A 16 18.269 17.801 -6.947 1.00 33.10 N ATOM 273 CA ILE A 16 19.421 18.274 -6.190 1.00 50.53 C ATOM 274 C ILE A 16 20.626 18.487 -7.100 1.00 3.12 C ATOM 275 O ILE A 16 21.412 19.414 -6.901 1.00 21.32 O ATOM 276 CB ILE A 16 19.804 17.288 -5.072 1.00 30.35 C ATOM 277 CG1 ILE A 16 20.350 15.990 -5.671 1.00 14.01 C ATOM 278 CG2 ILE A 16 18.603 17.003 -4.182 1.00 72.14 C ATOM 279 CD1 ILE A 16 21.852 15.991 -5.847 1.00 30.51 C ATOM 0 H ILE A 16 17.824 16.969 -6.561 1.00 33.10 H new ATOM 0 HA ILE A 16 19.135 19.225 -5.741 1.00 50.53 H new ATOM 0 HB ILE A 16 20.585 17.741 -4.461 1.00 30.35 H new ATOM 0 HG12 ILE A 16 20.068 15.156 -5.028 1.00 14.01 H new ATOM 0 HG13 ILE A 16 19.879 15.820 -6.639 1.00 14.01 H new ATOM 0 HG21 ILE A 16 18.890 16.304 -3.396 1.00 72.14 H new ATOM 0 HG22 ILE A 16 18.255 17.933 -3.731 1.00 72.14 H new ATOM 0 HG23 ILE A 16 17.802 16.568 -4.780 1.00 72.14 H new ATOM 0 HD11 ILE A 16 22.169 15.040 -6.276 1.00 30.51 H new ATOM 0 HD12 ILE A 16 22.140 16.804 -6.514 1.00 30.51 H new ATOM 0 HD13 ILE A 16 22.332 16.130 -4.878 1.00 30.51 H new ATOM 291 N VAL A 17 20.765 17.623 -8.101 1.00 3.34 N ATOM 292 CA VAL A 17 21.873 17.718 -9.044 1.00 22.23 C ATOM 293 C VAL A 17 21.535 18.656 -10.197 1.00 10.13 C ATOM 294 O VAL A 17 22.420 19.279 -10.782 1.00 71.14 O ATOM 295 CB VAL A 17 22.245 16.336 -9.613 1.00 70.21 C ATOM 296 CG1 VAL A 17 21.139 15.816 -10.519 1.00 0.21 C ATOM 297 CG2 VAL A 17 23.568 16.406 -10.360 1.00 43.21 C ATOM 0 H VAL A 17 20.124 16.850 -8.280 1.00 3.34 H new ATOM 0 HA VAL A 17 22.724 18.117 -8.493 1.00 22.23 H new ATOM 0 HB VAL A 17 22.359 15.639 -8.782 1.00 70.21 H new ATOM 0 HG11 VAL A 17 21.420 14.839 -10.912 1.00 0.21 H new ATOM 0 HG12 VAL A 17 20.214 15.726 -9.949 1.00 0.21 H new ATOM 0 HG13 VAL A 17 20.990 16.510 -11.346 1.00 0.21 H new ATOM 0 HG21 VAL A 17 23.815 15.421 -10.755 1.00 43.21 H new ATOM 0 HG22 VAL A 17 23.484 17.116 -11.182 1.00 43.21 H new ATOM 0 HG23 VAL A 17 24.354 16.731 -9.678 1.00 43.21 H new ATOM 307 N GLU A 18 20.248 18.752 -10.517 1.00 22.05 N ATOM 308 CA GLU A 18 19.793 19.615 -11.601 1.00 25.34 C ATOM 309 C GLU A 18 20.000 21.085 -11.249 1.00 13.24 C ATOM 310 O GLU A 18 20.250 21.916 -12.122 1.00 42.05 O ATOM 311 CB GLU A 18 18.317 19.354 -11.904 1.00 73.14 C ATOM 312 CG GLU A 18 18.069 18.812 -13.302 1.00 43.54 C ATOM 313 CD GLU A 18 18.677 19.686 -14.382 1.00 54.55 C ATOM 314 OE1 GLU A 18 18.635 20.926 -14.237 1.00 21.13 O ATOM 315 OE2 GLU A 18 19.194 19.130 -15.374 1.00 10.03 O ATOM 0 H GLU A 18 19.503 18.243 -10.041 1.00 22.05 H new ATOM 0 HA GLU A 18 20.384 19.385 -12.487 1.00 25.34 H new ATOM 0 HB2 GLU A 18 17.925 18.646 -11.174 1.00 73.14 H new ATOM 0 HB3 GLU A 18 17.760 20.282 -11.779 1.00 73.14 H new ATOM 0 HG2 GLU A 18 18.484 17.807 -13.377 1.00 43.54 H new ATOM 0 HG3 GLU A 18 16.995 18.727 -13.470 1.00 43.54 H new ATOM 322 N THR A 19 19.892 21.400 -9.962 1.00 11.45 N ATOM 323 CA THR A 19 20.064 22.770 -9.493 1.00 23.41 C ATOM 324 C THR A 19 21.323 22.906 -8.644 1.00 31.33 C ATOM 325 O THR A 19 21.843 24.006 -8.457 1.00 14.12 O ATOM 326 CB THR A 19 18.850 23.239 -8.670 1.00 20.24 C ATOM 327 OG1 THR A 19 18.859 22.611 -7.382 1.00 52.25 O ATOM 328 CG2 THR A 19 17.550 22.913 -9.389 1.00 51.32 C ATOM 0 H THR A 19 19.686 20.725 -9.226 1.00 11.45 H new ATOM 0 HA THR A 19 20.157 23.398 -10.379 1.00 23.41 H new ATOM 0 HB THR A 19 18.918 24.320 -8.548 1.00 20.24 H new ATOM 0 HG1 THR A 19 17.949 22.331 -7.148 1.00 52.25 H new ATOM 0 HG21 THR A 19 16.707 23.254 -8.788 1.00 51.32 H new ATOM 0 HG22 THR A 19 17.533 23.415 -10.356 1.00 51.32 H new ATOM 0 HG23 THR A 19 17.477 21.836 -9.539 1.00 51.32 H new ATOM 336 N LYS A 20 21.810 21.781 -8.131 1.00 72.55 N ATOM 337 CA LYS A 20 23.010 21.773 -7.303 1.00 33.20 C ATOM 338 C LYS A 20 22.785 22.555 -6.013 1.00 31.43 C ATOM 339 O LYS A 20 23.726 23.091 -5.428 1.00 11.53 O ATOM 340 CB LYS A 20 24.190 22.368 -8.074 1.00 2.35 C ATOM 341 CG LYS A 20 24.361 21.789 -9.467 1.00 40.33 C ATOM 342 CD LYS A 20 24.754 20.322 -9.417 1.00 41.34 C ATOM 343 CE LYS A 20 26.105 20.130 -8.745 1.00 71.24 C ATOM 344 NZ LYS A 20 27.153 20.999 -9.348 1.00 62.11 N ATOM 0 H LYS A 20 21.391 20.862 -8.274 1.00 72.55 H new ATOM 0 HA LYS A 20 23.237 20.739 -7.045 1.00 33.20 H new ATOM 0 HB2 LYS A 20 24.055 23.447 -8.152 1.00 2.35 H new ATOM 0 HB3 LYS A 20 25.105 22.202 -7.506 1.00 2.35 H new ATOM 0 HG2 LYS A 20 23.431 21.899 -10.024 1.00 40.33 H new ATOM 0 HG3 LYS A 20 25.123 22.353 -10.005 1.00 40.33 H new ATOM 0 HD2 LYS A 20 23.994 19.759 -8.876 1.00 41.34 H new ATOM 0 HD3 LYS A 20 24.789 19.919 -10.429 1.00 41.34 H new ATOM 0 HE2 LYS A 20 26.017 20.352 -7.682 1.00 71.24 H new ATOM 0 HE3 LYS A 20 26.407 19.086 -8.828 1.00 71.24 H new ATOM 0 HZ1 LYS A 20 28.064 20.498 -9.344 1.00 62.11 H new ATOM 0 HZ2 LYS A 20 26.890 21.231 -10.327 1.00 62.11 H new ATOM 0 HZ3 LYS A 20 27.238 21.876 -8.795 1.00 62.11 H new ATOM 358 N LYS A 21 21.533 22.614 -5.573 1.00 34.24 N ATOM 359 CA LYS A 21 21.184 23.327 -4.350 1.00 14.21 C ATOM 360 C LYS A 21 21.283 22.408 -3.137 1.00 11.25 C ATOM 361 O LYS A 21 21.693 21.253 -3.251 1.00 71.43 O ATOM 362 CB LYS A 21 19.768 23.899 -4.455 1.00 41.40 C ATOM 363 CG LYS A 21 19.734 25.399 -4.694 1.00 5.02 C ATOM 364 CD LYS A 21 19.333 25.727 -6.122 1.00 42.31 C ATOM 365 CE LYS A 21 18.171 26.708 -6.163 1.00 44.22 C ATOM 366 NZ LYS A 21 18.637 28.122 -6.115 1.00 21.13 N ATOM 0 H LYS A 21 20.742 22.176 -6.046 1.00 34.24 H new ATOM 0 HA LYS A 21 21.892 24.146 -4.222 1.00 14.21 H new ATOM 0 HB2 LYS A 21 19.242 23.398 -5.268 1.00 41.40 H new ATOM 0 HB3 LYS A 21 19.225 23.673 -3.537 1.00 41.40 H new ATOM 0 HG2 LYS A 21 19.031 25.863 -4.002 1.00 5.02 H new ATOM 0 HG3 LYS A 21 20.715 25.824 -4.484 1.00 5.02 H new ATOM 0 HD2 LYS A 21 20.186 26.149 -6.653 1.00 42.31 H new ATOM 0 HD3 LYS A 21 19.056 24.811 -6.643 1.00 42.31 H new ATOM 0 HE2 LYS A 21 17.592 26.547 -7.072 1.00 44.22 H new ATOM 0 HE3 LYS A 21 17.504 26.517 -5.322 1.00 44.22 H new ATOM 0 HZ1 LYS A 21 17.816 28.759 -6.145 1.00 21.13 H new ATOM 0 HZ2 LYS A 21 19.168 28.283 -5.235 1.00 21.13 H new ATOM 0 HZ3 LYS A 21 19.253 28.312 -6.931 1.00 21.13 H new ATOM 380 N THR A 22 20.904 22.928 -1.973 1.00 52.11 N ATOM 381 CA THR A 22 20.950 22.154 -0.739 1.00 12.51 C ATOM 382 C THR A 22 19.583 21.567 -0.407 1.00 12.43 C ATOM 383 O THR A 22 18.557 22.042 -0.895 1.00 31.13 O ATOM 384 CB THR A 22 21.428 23.015 0.446 1.00 61.21 C ATOM 385 OG1 THR A 22 20.383 23.902 0.860 1.00 24.03 O ATOM 386 CG2 THR A 22 22.663 23.819 0.067 1.00 33.22 C ATOM 0 H THR A 22 20.562 23.882 -1.860 1.00 52.11 H new ATOM 0 HA THR A 22 21.661 21.344 -0.900 1.00 12.51 H new ATOM 0 HB THR A 22 21.686 22.349 1.270 1.00 61.21 H new ATOM 0 HG1 THR A 22 20.694 24.444 1.615 1.00 24.03 H new ATOM 0 HG21 THR A 22 22.982 24.419 0.919 1.00 33.22 H new ATOM 0 HG22 THR A 22 23.466 23.140 -0.219 1.00 33.22 H new ATOM 0 HG23 THR A 22 22.427 24.475 -0.771 1.00 33.22 H new ATOM 394 N VAL A 23 19.575 20.532 0.427 1.00 1.33 N ATOM 395 CA VAL A 23 18.333 19.881 0.827 1.00 41.44 C ATOM 396 C VAL A 23 17.322 20.898 1.345 1.00 30.31 C ATOM 397 O VAL A 23 16.112 20.700 1.230 1.00 64.35 O ATOM 398 CB VAL A 23 18.581 18.819 1.914 1.00 15.10 C ATOM 399 CG1 VAL A 23 19.207 17.572 1.310 1.00 63.14 C ATOM 400 CG2 VAL A 23 19.458 19.384 3.020 1.00 4.34 C ATOM 0 H VAL A 23 20.415 20.126 0.839 1.00 1.33 H new ATOM 0 HA VAL A 23 17.930 19.393 -0.061 1.00 41.44 H new ATOM 0 HB VAL A 23 17.622 18.539 2.350 1.00 15.10 H new ATOM 0 HG11 VAL A 23 19.375 16.833 2.094 1.00 63.14 H new ATOM 0 HG12 VAL A 23 18.537 17.157 0.557 1.00 63.14 H new ATOM 0 HG13 VAL A 23 20.159 17.831 0.846 1.00 63.14 H new ATOM 0 HG21 VAL A 23 19.623 18.620 3.780 1.00 4.34 H new ATOM 0 HG22 VAL A 23 20.416 19.693 2.602 1.00 4.34 H new ATOM 0 HG23 VAL A 23 18.964 20.244 3.472 1.00 4.34 H new ATOM 410 N ARG A 24 17.826 21.987 1.917 1.00 72.34 N ATOM 411 CA ARG A 24 16.966 23.035 2.454 1.00 65.31 C ATOM 412 C ARG A 24 16.212 23.746 1.335 1.00 74.14 C ATOM 413 O ARG A 24 15.053 24.129 1.499 1.00 62.15 O ATOM 414 CB ARG A 24 17.795 24.046 3.248 1.00 42.45 C ATOM 415 CG ARG A 24 16.991 25.236 3.746 1.00 74.15 C ATOM 416 CD ARG A 24 17.206 26.460 2.870 1.00 51.15 C ATOM 417 NE ARG A 24 18.390 27.216 3.267 1.00 4.21 N ATOM 418 CZ ARG A 24 18.601 28.483 2.929 1.00 42.32 C ATOM 419 NH1 ARG A 24 17.711 29.133 2.191 1.00 64.20 N ATOM 420 NH2 ARG A 24 19.704 29.104 3.329 1.00 32.41 N ATOM 0 H ARG A 24 18.825 22.166 2.020 1.00 72.34 H new ATOM 0 HA ARG A 24 16.239 22.569 3.119 1.00 65.31 H new ATOM 0 HB2 ARG A 24 18.248 23.541 4.102 1.00 42.45 H new ATOM 0 HB3 ARG A 24 18.611 24.406 2.621 1.00 42.45 H new ATOM 0 HG2 ARG A 24 15.932 24.980 3.761 1.00 74.15 H new ATOM 0 HG3 ARG A 24 17.278 25.467 4.772 1.00 74.15 H new ATOM 0 HD2 ARG A 24 17.307 26.148 1.830 1.00 51.15 H new ATOM 0 HD3 ARG A 24 16.329 27.105 2.926 1.00 51.15 H new ATOM 0 HE ARG A 24 19.094 26.745 3.835 1.00 4.21 H new ATOM 0 HH11 ARG A 24 16.862 28.660 1.882 1.00 64.20 H new ATOM 0 HH12 ARG A 24 17.876 30.106 1.933 1.00 64.20 H new ATOM 0 HH21 ARG A 24 20.391 28.608 3.897 1.00 32.41 H new ATOM 0 HH22 ARG A 24 19.864 30.077 3.068 1.00 32.41 H new ATOM 434 N VAL A 25 16.877 23.920 0.197 1.00 75.42 N ATOM 435 CA VAL A 25 16.269 24.584 -0.950 1.00 11.10 C ATOM 436 C VAL A 25 15.479 23.597 -1.802 1.00 44.03 C ATOM 437 O VAL A 25 14.519 23.972 -2.475 1.00 14.31 O ATOM 438 CB VAL A 25 17.331 25.270 -1.829 1.00 64.44 C ATOM 439 CG1 VAL A 25 16.669 26.123 -2.900 1.00 71.12 C ATOM 440 CG2 VAL A 25 18.271 26.107 -0.974 1.00 73.24 C ATOM 0 H VAL A 25 17.837 23.610 0.045 1.00 75.42 H new ATOM 0 HA VAL A 25 15.591 25.341 -0.555 1.00 11.10 H new ATOM 0 HB VAL A 25 17.919 24.498 -2.326 1.00 64.44 H new ATOM 0 HG11 VAL A 25 17.436 26.600 -3.511 1.00 71.12 H new ATOM 0 HG12 VAL A 25 16.042 25.493 -3.531 1.00 71.12 H new ATOM 0 HG13 VAL A 25 16.054 26.889 -2.427 1.00 71.12 H new ATOM 0 HG21 VAL A 25 19.015 26.584 -1.612 1.00 73.24 H new ATOM 0 HG22 VAL A 25 17.700 26.872 -0.447 1.00 73.24 H new ATOM 0 HG23 VAL A 25 18.772 25.465 -0.249 1.00 73.24 H new ATOM 450 N ILE A 26 15.891 22.334 -1.769 1.00 14.02 N ATOM 451 CA ILE A 26 15.220 21.292 -2.537 1.00 45.43 C ATOM 452 C ILE A 26 13.962 20.807 -1.825 1.00 41.54 C ATOM 453 O ILE A 26 12.993 20.399 -2.465 1.00 24.12 O ATOM 454 CB ILE A 26 16.151 20.091 -2.787 1.00 74.43 C ATOM 455 CG1 ILE A 26 17.359 20.518 -3.623 1.00 0.33 C ATOM 456 CG2 ILE A 26 15.392 18.968 -3.480 1.00 13.45 C ATOM 457 CD1 ILE A 26 18.684 20.095 -3.029 1.00 64.11 C ATOM 0 H ILE A 26 16.686 22.008 -1.219 1.00 14.02 H new ATOM 0 HA ILE A 26 14.944 21.733 -3.495 1.00 45.43 H new ATOM 0 HB ILE A 26 16.510 19.723 -1.826 1.00 74.43 H new ATOM 0 HG12 ILE A 26 17.267 20.095 -4.623 1.00 0.33 H new ATOM 0 HG13 ILE A 26 17.349 21.602 -3.734 1.00 0.33 H new ATOM 0 HG21 ILE A 26 16.063 18.126 -3.650 1.00 13.45 H new ATOM 0 HG22 ILE A 26 14.561 18.648 -2.851 1.00 13.45 H new ATOM 0 HG23 ILE A 26 15.008 19.324 -4.436 1.00 13.45 H new ATOM 0 HD11 ILE A 26 19.496 20.431 -3.674 1.00 64.11 H new ATOM 0 HD12 ILE A 26 18.798 20.540 -2.040 1.00 64.11 H new ATOM 0 HD13 ILE A 26 18.714 19.009 -2.944 1.00 64.11 H new ATOM 469 N ALA A 27 13.984 20.858 -0.497 1.00 73.55 N ATOM 470 CA ALA A 27 12.843 20.427 0.302 1.00 42.12 C ATOM 471 C ALA A 27 11.690 21.419 0.192 1.00 4.32 C ATOM 472 O ALA A 27 10.557 21.040 -0.102 1.00 34.11 O ATOM 473 CB ALA A 27 13.254 20.251 1.756 1.00 3.11 C ATOM 0 H ALA A 27 14.779 21.193 0.048 1.00 73.55 H new ATOM 0 HA ALA A 27 12.500 19.468 -0.086 1.00 42.12 H new ATOM 0 HB1 ALA A 27 12.393 19.929 2.341 1.00 3.11 H new ATOM 0 HB2 ALA A 27 14.040 19.499 1.823 1.00 3.11 H new ATOM 0 HB3 ALA A 27 13.624 21.199 2.147 1.00 3.11 H new ATOM 479 N LYS A 28 11.987 22.692 0.431 1.00 12.23 N ATOM 480 CA LYS A 28 10.976 23.740 0.359 1.00 13.34 C ATOM 481 C LYS A 28 10.222 23.679 -0.965 1.00 74.21 C ATOM 482 O LYS A 28 9.049 24.046 -1.039 1.00 65.33 O ATOM 483 CB LYS A 28 11.625 25.116 0.525 1.00 0.13 C ATOM 484 CG LYS A 28 12.767 25.371 -0.443 1.00 72.35 C ATOM 485 CD LYS A 28 12.263 25.922 -1.767 1.00 11.34 C ATOM 486 CE LYS A 28 12.628 27.389 -1.934 1.00 42.32 C ATOM 487 NZ LYS A 28 11.676 28.099 -2.833 1.00 31.14 N ATOM 0 H LYS A 28 12.920 23.023 0.676 1.00 12.23 H new ATOM 0 HA LYS A 28 10.265 23.580 1.170 1.00 13.34 H new ATOM 0 HB2 LYS A 28 10.865 25.886 0.388 1.00 0.13 H new ATOM 0 HB3 LYS A 28 11.996 25.213 1.545 1.00 0.13 H new ATOM 0 HG2 LYS A 28 13.471 26.075 0.001 1.00 72.35 H new ATOM 0 HG3 LYS A 28 13.311 24.443 -0.618 1.00 72.35 H new ATOM 0 HD2 LYS A 28 12.688 25.344 -2.588 1.00 11.34 H new ATOM 0 HD3 LYS A 28 11.181 25.806 -1.822 1.00 11.34 H new ATOM 0 HE2 LYS A 28 12.637 27.874 -0.958 1.00 42.32 H new ATOM 0 HE3 LYS A 28 13.637 27.468 -2.338 1.00 42.32 H new ATOM 0 HZ1 LYS A 28 11.959 29.096 -2.921 1.00 31.14 H new ATOM 0 HZ2 LYS A 28 11.686 27.652 -3.772 1.00 31.14 H new ATOM 0 HZ3 LYS A 28 10.717 28.046 -2.435 1.00 31.14 H new ATOM 501 N GLU A 29 10.902 23.211 -2.007 1.00 50.52 N ATOM 502 CA GLU A 29 10.294 23.102 -3.328 1.00 64.13 C ATOM 503 C GLU A 29 9.210 22.028 -3.341 1.00 11.40 C ATOM 504 O GLU A 29 8.176 22.182 -3.992 1.00 2.10 O ATOM 505 CB GLU A 29 11.359 22.779 -4.379 1.00 23.04 C ATOM 506 CG GLU A 29 12.210 23.975 -4.770 1.00 45.21 C ATOM 507 CD GLU A 29 12.232 24.210 -6.268 1.00 5.41 C ATOM 508 OE1 GLU A 29 12.078 23.229 -7.024 1.00 71.42 O ATOM 509 OE2 GLU A 29 12.404 25.375 -6.684 1.00 3.12 O ATOM 0 H GLU A 29 11.873 22.902 -1.962 1.00 50.52 H new ATOM 0 HA GLU A 29 9.835 24.061 -3.569 1.00 64.13 H new ATOM 0 HB2 GLU A 29 12.008 21.991 -3.996 1.00 23.04 H new ATOM 0 HB3 GLU A 29 10.870 22.384 -5.270 1.00 23.04 H new ATOM 0 HG2 GLU A 29 11.828 24.866 -4.272 1.00 45.21 H new ATOM 0 HG3 GLU A 29 13.229 23.823 -4.415 1.00 45.21 H new ATOM 516 N PHE A 30 9.454 20.941 -2.617 1.00 72.24 N ATOM 517 CA PHE A 30 8.500 19.840 -2.546 1.00 53.21 C ATOM 518 C PHE A 30 7.434 20.112 -1.489 1.00 11.05 C ATOM 519 O PHE A 30 6.339 19.553 -1.537 1.00 21.13 O ATOM 520 CB PHE A 30 9.224 18.529 -2.232 1.00 15.32 C ATOM 521 CG PHE A 30 9.892 17.912 -3.427 1.00 75.10 C ATOM 522 CD1 PHE A 30 10.903 18.583 -4.095 1.00 70.44 C ATOM 523 CD2 PHE A 30 9.507 16.661 -3.883 1.00 25.15 C ATOM 524 CE1 PHE A 30 11.520 18.017 -5.195 1.00 40.15 C ATOM 525 CE2 PHE A 30 10.121 16.090 -4.982 1.00 1.34 C ATOM 526 CZ PHE A 30 11.128 16.770 -5.640 1.00 33.34 C ATOM 0 H PHE A 30 10.304 20.799 -2.071 1.00 72.24 H new ATOM 0 HA PHE A 30 8.011 19.753 -3.516 1.00 53.21 H new ATOM 0 HB2 PHE A 30 9.973 18.712 -1.462 1.00 15.32 H new ATOM 0 HB3 PHE A 30 8.509 17.818 -1.818 1.00 15.32 H new ATOM 0 HD1 PHE A 30 11.213 19.559 -3.753 1.00 70.44 H new ATOM 0 HD2 PHE A 30 8.719 16.126 -3.374 1.00 25.15 H new ATOM 0 HE1 PHE A 30 12.308 18.550 -5.706 1.00 40.15 H new ATOM 0 HE2 PHE A 30 9.814 15.113 -5.326 1.00 1.34 H new ATOM 0 HZ PHE A 30 11.607 16.327 -6.500 1.00 33.34 H new ATOM 536 N GLY A 31 7.764 20.975 -0.532 1.00 52.35 N ATOM 537 CA GLY A 31 6.826 21.306 0.524 1.00 14.31 C ATOM 538 C GLY A 31 6.977 20.409 1.736 1.00 20.31 C ATOM 539 O GLY A 31 5.992 20.062 2.388 1.00 71.53 O ATOM 0 H GLY A 31 8.664 21.450 -0.470 1.00 52.35 H new ATOM 0 HA2 GLY A 31 6.972 22.344 0.824 1.00 14.31 H new ATOM 0 HA3 GLY A 31 5.809 21.225 0.141 1.00 14.31 H new ATOM 543 N VAL A 32 8.215 20.030 2.039 1.00 34.22 N ATOM 544 CA VAL A 32 8.492 19.166 3.181 1.00 51.42 C ATOM 545 C VAL A 32 9.714 19.651 3.952 1.00 3.03 C ATOM 546 O VAL A 32 10.425 20.552 3.507 1.00 13.44 O ATOM 547 CB VAL A 32 8.722 17.709 2.739 1.00 32.23 C ATOM 548 CG1 VAL A 32 7.410 17.065 2.318 1.00 53.13 C ATOM 549 CG2 VAL A 32 9.741 17.649 1.612 1.00 62.42 C ATOM 0 H VAL A 32 9.042 20.308 1.510 1.00 34.22 H new ATOM 0 HA VAL A 32 7.617 19.207 3.830 1.00 51.42 H new ATOM 0 HB VAL A 32 9.118 17.149 3.586 1.00 32.23 H new ATOM 0 HG11 VAL A 32 7.593 16.036 2.009 1.00 53.13 H new ATOM 0 HG12 VAL A 32 6.715 17.074 3.157 1.00 53.13 H new ATOM 0 HG13 VAL A 32 6.981 17.623 1.486 1.00 53.13 H new ATOM 0 HG21 VAL A 32 9.891 16.612 1.312 1.00 62.42 H new ATOM 0 HG22 VAL A 32 9.376 18.224 0.761 1.00 62.42 H new ATOM 0 HG23 VAL A 32 10.687 18.068 1.954 1.00 62.42 H new ATOM 559 N SER A 33 9.954 19.046 5.111 1.00 12.03 N ATOM 560 CA SER A 33 11.089 19.418 5.947 1.00 22.04 C ATOM 561 C SER A 33 12.324 18.600 5.581 1.00 2.44 C ATOM 562 O SER A 33 12.218 17.458 5.136 1.00 74.41 O ATOM 563 CB SER A 33 10.749 19.216 7.425 1.00 23.33 C ATOM 564 OG SER A 33 11.846 18.660 8.129 1.00 22.34 O ATOM 0 H SER A 33 9.377 18.296 5.492 1.00 12.03 H new ATOM 0 HA SER A 33 11.307 20.472 5.773 1.00 22.04 H new ATOM 0 HB2 SER A 33 10.473 20.171 7.872 1.00 23.33 H new ATOM 0 HB3 SER A 33 9.884 18.559 7.516 1.00 23.33 H new ATOM 0 HG SER A 33 11.604 18.542 9.071 1.00 22.34 H new ATOM 570 N LYS A 34 13.497 19.195 5.773 1.00 62.53 N ATOM 571 CA LYS A 34 14.755 18.523 5.465 1.00 55.52 C ATOM 572 C LYS A 34 14.816 17.152 6.129 1.00 70.30 C ATOM 573 O LYS A 34 15.317 16.191 5.545 1.00 74.31 O ATOM 574 CB LYS A 34 15.938 19.378 5.924 1.00 22.23 C ATOM 575 CG LYS A 34 15.993 20.746 5.267 1.00 74.24 C ATOM 576 CD LYS A 34 15.755 21.859 6.274 1.00 61.43 C ATOM 577 CE LYS A 34 14.804 22.912 5.727 1.00 73.34 C ATOM 578 NZ LYS A 34 14.948 24.212 6.438 1.00 53.24 N ATOM 0 H LYS A 34 13.603 20.141 6.140 1.00 62.53 H new ATOM 0 HA LYS A 34 14.811 18.386 4.385 1.00 55.52 H new ATOM 0 HB2 LYS A 34 15.885 19.506 7.005 1.00 22.23 H new ATOM 0 HB3 LYS A 34 16.865 18.845 5.711 1.00 22.23 H new ATOM 0 HG2 LYS A 34 16.965 20.884 4.794 1.00 74.24 H new ATOM 0 HG3 LYS A 34 15.243 20.802 4.478 1.00 74.24 H new ATOM 0 HD2 LYS A 34 15.345 21.439 7.192 1.00 61.43 H new ATOM 0 HD3 LYS A 34 16.705 22.325 6.534 1.00 61.43 H new ATOM 0 HE2 LYS A 34 14.995 23.057 4.664 1.00 73.34 H new ATOM 0 HE3 LYS A 34 13.777 22.558 5.821 1.00 73.34 H new ATOM 0 HZ1 LYS A 34 14.283 24.903 6.036 1.00 53.24 H new ATOM 0 HZ2 LYS A 34 14.741 24.080 7.449 1.00 53.24 H new ATOM 0 HZ3 LYS A 34 15.921 24.563 6.327 1.00 53.24 H new ATOM 592 N SER A 35 14.302 17.068 7.352 1.00 25.21 N ATOM 593 CA SER A 35 14.301 15.814 8.096 1.00 23.23 C ATOM 594 C SER A 35 13.515 14.740 7.350 1.00 1.12 C ATOM 595 O SER A 35 13.875 13.563 7.370 1.00 23.42 O ATOM 596 CB SER A 35 13.705 16.024 9.489 1.00 34.53 C ATOM 597 OG SER A 35 13.795 14.842 10.266 1.00 73.41 O ATOM 0 H SER A 35 13.881 17.853 7.848 1.00 25.21 H new ATOM 0 HA SER A 35 15.333 15.479 8.197 1.00 23.23 H new ATOM 0 HB2 SER A 35 14.229 16.835 9.994 1.00 34.53 H new ATOM 0 HB3 SER A 35 12.661 16.326 9.400 1.00 34.53 H new ATOM 0 HG SER A 35 13.409 15.003 11.152 1.00 73.41 H new ATOM 603 N THR A 36 12.437 15.155 6.691 1.00 24.14 N ATOM 604 CA THR A 36 11.598 14.230 5.940 1.00 43.44 C ATOM 605 C THR A 36 12.257 13.837 4.622 1.00 12.41 C ATOM 606 O THR A 36 12.163 12.689 4.188 1.00 42.32 O ATOM 607 CB THR A 36 10.214 14.839 5.647 1.00 50.31 C ATOM 608 OG1 THR A 36 9.573 15.210 6.872 1.00 10.34 O ATOM 609 CG2 THR A 36 9.338 13.853 4.889 1.00 23.11 C ATOM 0 H THR A 36 12.125 16.126 6.663 1.00 24.14 H new ATOM 0 HA THR A 36 11.472 13.342 6.560 1.00 43.44 H new ATOM 0 HB THR A 36 10.355 15.725 5.028 1.00 50.31 H new ATOM 0 HG1 THR A 36 8.694 15.598 6.677 1.00 10.34 H new ATOM 0 HG21 THR A 36 8.366 14.306 4.694 1.00 23.11 H new ATOM 0 HG22 THR A 36 9.815 13.595 3.943 1.00 23.11 H new ATOM 0 HG23 THR A 36 9.205 12.951 5.486 1.00 23.11 H new ATOM 617 N VAL A 37 12.924 14.798 3.990 1.00 62.42 N ATOM 618 CA VAL A 37 13.601 14.551 2.722 1.00 75.11 C ATOM 619 C VAL A 37 14.836 13.680 2.919 1.00 70.45 C ATOM 620 O VAL A 37 14.935 12.588 2.358 1.00 74.33 O ATOM 621 CB VAL A 37 14.018 15.869 2.043 1.00 60.22 C ATOM 622 CG1 VAL A 37 14.751 15.589 0.740 1.00 52.44 C ATOM 623 CG2 VAL A 37 12.803 16.752 1.802 1.00 30.11 C ATOM 0 H VAL A 37 13.010 15.754 4.335 1.00 62.42 H new ATOM 0 HA VAL A 37 12.891 14.029 2.080 1.00 75.11 H new ATOM 0 HB VAL A 37 14.698 16.401 2.708 1.00 60.22 H new ATOM 0 HG11 VAL A 37 15.038 16.532 0.274 1.00 52.44 H new ATOM 0 HG12 VAL A 37 15.644 14.999 0.945 1.00 52.44 H new ATOM 0 HG13 VAL A 37 14.097 15.036 0.066 1.00 52.44 H new ATOM 0 HG21 VAL A 37 13.116 17.679 1.322 1.00 30.11 H new ATOM 0 HG22 VAL A 37 12.096 16.230 1.157 1.00 30.11 H new ATOM 0 HG23 VAL A 37 12.325 16.981 2.754 1.00 30.11 H new ATOM 633 N HIS A 38 15.777 14.169 3.719 1.00 3.14 N ATOM 634 CA HIS A 38 17.008 13.434 3.991 1.00 14.34 C ATOM 635 C HIS A 38 16.700 12.015 4.459 1.00 24.12 C ATOM 636 O HIS A 38 17.500 11.099 4.266 1.00 43.23 O ATOM 637 CB HIS A 38 17.839 14.163 5.048 1.00 51.15 C ATOM 638 CG HIS A 38 19.182 14.604 4.553 1.00 23.31 C ATOM 639 ND1 HIS A 38 20.311 14.609 5.345 1.00 0.41 N ATOM 640 CD2 HIS A 38 19.575 15.054 3.338 1.00 34.33 C ATOM 641 CE1 HIS A 38 21.339 15.045 4.639 1.00 2.54 C ATOM 642 NE2 HIS A 38 20.919 15.321 3.418 1.00 41.50 N ATOM 0 H HIS A 38 15.711 15.071 4.191 1.00 3.14 H new ATOM 0 HA HIS A 38 17.581 13.377 3.065 1.00 14.34 H new ATOM 0 HB2 HIS A 38 17.285 15.035 5.397 1.00 51.15 H new ATOM 0 HB3 HIS A 38 17.975 13.507 5.908 1.00 51.15 H new ATOM 0 HD1 HIS A 38 20.347 14.321 6.323 1.00 0.41 H new ATOM 0 HD2 HIS A 38 18.948 15.180 2.468 1.00 34.33 H new ATOM 0 HE1 HIS A 38 22.351 15.157 4.999 1.00 2.54 H new ATOM 650 N LYS A 39 15.537 11.839 5.077 1.00 40.35 N ATOM 651 CA LYS A 39 15.123 10.532 5.572 1.00 52.10 C ATOM 652 C LYS A 39 15.057 9.516 4.436 1.00 21.35 C ATOM 653 O LYS A 39 15.643 8.436 4.522 1.00 13.24 O ATOM 654 CB LYS A 39 13.759 10.633 6.260 1.00 45.02 C ATOM 655 CG LYS A 39 13.210 9.294 6.721 1.00 4.23 C ATOM 656 CD LYS A 39 12.318 9.448 7.942 1.00 42.14 C ATOM 657 CE LYS A 39 10.988 8.736 7.753 1.00 73.43 C ATOM 658 NZ LYS A 39 10.987 7.386 8.383 1.00 51.23 N ATOM 0 H LYS A 39 14.864 12.586 5.247 1.00 40.35 H new ATOM 0 HA LYS A 39 15.864 10.194 6.296 1.00 52.10 H new ATOM 0 HB2 LYS A 39 13.844 11.297 7.120 1.00 45.02 H new ATOM 0 HB3 LYS A 39 13.048 11.091 5.573 1.00 45.02 H new ATOM 0 HG2 LYS A 39 12.644 8.834 5.911 1.00 4.23 H new ATOM 0 HG3 LYS A 39 14.036 8.622 6.955 1.00 4.23 H new ATOM 0 HD2 LYS A 39 12.826 9.046 8.818 1.00 42.14 H new ATOM 0 HD3 LYS A 39 12.141 10.506 8.134 1.00 42.14 H new ATOM 0 HE2 LYS A 39 10.189 9.339 8.185 1.00 73.43 H new ATOM 0 HE3 LYS A 39 10.775 8.640 6.688 1.00 73.43 H new ATOM 0 HZ1 LYS A 39 10.063 6.933 8.232 1.00 51.23 H new ATOM 0 HZ2 LYS A 39 11.733 6.802 7.954 1.00 51.23 H new ATOM 0 HZ3 LYS A 39 11.164 7.479 9.404 1.00 51.23 H new ATOM 672 N ASP A 40 14.343 9.868 3.374 1.00 55.54 N ATOM 673 CA ASP A 40 14.203 8.988 2.220 1.00 72.23 C ATOM 674 C ASP A 40 15.410 9.109 1.295 1.00 73.25 C ATOM 675 O ASP A 40 15.838 8.128 0.684 1.00 3.43 O ATOM 676 CB ASP A 40 12.921 9.317 1.452 1.00 23.13 C ATOM 677 CG ASP A 40 11.699 8.651 2.054 1.00 42.14 C ATOM 678 OD1 ASP A 40 11.858 7.601 2.711 1.00 63.23 O ATOM 679 OD2 ASP A 40 10.584 9.181 1.868 1.00 71.31 O ATOM 0 H ASP A 40 13.851 10.758 3.288 1.00 55.54 H new ATOM 0 HA ASP A 40 14.146 7.961 2.582 1.00 72.23 H new ATOM 0 HB2 ASP A 40 12.774 10.397 1.441 1.00 23.13 H new ATOM 0 HB3 ASP A 40 13.030 9.000 0.415 1.00 23.13 H new ATOM 684 N LEU A 41 15.953 10.317 1.194 1.00 31.22 N ATOM 685 CA LEU A 41 17.110 10.567 0.342 1.00 24.13 C ATOM 686 C LEU A 41 18.296 9.708 0.769 1.00 63.52 C ATOM 687 O LEU A 41 19.236 9.500 0.000 1.00 53.01 O ATOM 688 CB LEU A 41 17.495 12.047 0.392 1.00 75.24 C ATOM 689 CG LEU A 41 16.773 12.961 -0.600 1.00 23.24 C ATOM 690 CD1 LEU A 41 17.551 13.054 -1.903 1.00 71.53 C ATOM 691 CD2 LEU A 41 15.359 12.461 -0.855 1.00 30.55 C ATOM 0 H LEU A 41 15.611 11.139 1.692 1.00 31.22 H new ATOM 0 HA LEU A 41 16.841 10.302 -0.680 1.00 24.13 H new ATOM 0 HB2 LEU A 41 17.307 12.417 1.400 1.00 75.24 H new ATOM 0 HB3 LEU A 41 18.568 12.129 0.217 1.00 75.24 H new ATOM 0 HG LEU A 41 16.711 13.959 -0.166 1.00 23.24 H new ATOM 0 HD11 LEU A 41 17.022 13.708 -2.596 1.00 71.53 H new ATOM 0 HD12 LEU A 41 18.543 13.460 -1.706 1.00 71.53 H new ATOM 0 HD13 LEU A 41 17.646 12.061 -2.342 1.00 71.53 H new ATOM 0 HD21 LEU A 41 14.861 13.124 -1.563 1.00 30.55 H new ATOM 0 HD22 LEU A 41 15.398 11.453 -1.268 1.00 30.55 H new ATOM 0 HD23 LEU A 41 14.803 12.448 0.083 1.00 30.55 H new ATOM 703 N THR A 42 18.246 9.207 2.000 1.00 51.35 N ATOM 704 CA THR A 42 19.315 8.370 2.528 1.00 32.54 C ATOM 705 C THR A 42 18.809 6.967 2.844 1.00 34.23 C ATOM 706 O THR A 42 19.554 6.127 3.348 1.00 43.43 O ATOM 707 CB THR A 42 19.929 8.980 3.802 1.00 2.20 C ATOM 708 OG1 THR A 42 18.984 8.926 4.876 1.00 0.44 O ATOM 709 CG2 THR A 42 20.350 10.422 3.562 1.00 2.20 C ATOM 0 H THR A 42 17.476 9.367 2.649 1.00 51.35 H new ATOM 0 HA THR A 42 20.082 8.312 1.756 1.00 32.54 H new ATOM 0 HB THR A 42 20.812 8.399 4.067 1.00 2.20 H new ATOM 0 HG1 THR A 42 18.299 9.614 4.744 1.00 0.44 H new ATOM 0 HG21 THR A 42 20.781 10.832 4.475 1.00 2.20 H new ATOM 0 HG22 THR A 42 21.091 10.457 2.764 1.00 2.20 H new ATOM 0 HG23 THR A 42 19.480 11.012 3.275 1.00 2.20 H new ATOM 717 N GLU A 43 17.537 6.720 2.545 1.00 62.13 N ATOM 718 CA GLU A 43 16.933 5.417 2.798 1.00 55.33 C ATOM 719 C GLU A 43 16.398 4.806 1.506 1.00 71.50 C ATOM 720 O GLU A 43 16.978 3.864 0.966 1.00 24.41 O ATOM 721 CB GLU A 43 15.802 5.545 3.821 1.00 53.14 C ATOM 722 CG GLU A 43 16.290 5.711 5.250 1.00 52.11 C ATOM 723 CD GLU A 43 16.676 4.393 5.891 1.00 24.52 C ATOM 724 OE1 GLU A 43 16.761 3.382 5.163 1.00 64.44 O ATOM 725 OE2 GLU A 43 16.894 4.371 7.121 1.00 55.14 O ATOM 0 H GLU A 43 16.906 7.404 2.128 1.00 62.13 H new ATOM 0 HA GLU A 43 17.704 4.759 3.199 1.00 55.33 H new ATOM 0 HB2 GLU A 43 15.180 6.400 3.557 1.00 53.14 H new ATOM 0 HB3 GLU A 43 15.169 4.660 3.763 1.00 53.14 H new ATOM 0 HG2 GLU A 43 17.149 6.382 5.261 1.00 52.11 H new ATOM 0 HG3 GLU A 43 15.509 6.185 5.844 1.00 52.11 H new ATOM 732 N ARG A 44 15.288 5.348 1.017 1.00 74.33 N ATOM 733 CA ARG A 44 14.673 4.855 -0.210 1.00 60.21 C ATOM 734 C ARG A 44 15.514 5.227 -1.427 1.00 45.03 C ATOM 735 O ARG A 44 15.812 4.381 -2.272 1.00 1.31 O ATOM 736 CB ARG A 44 13.260 5.421 -0.361 1.00 50.20 C ATOM 737 CG ARG A 44 12.251 4.803 0.593 1.00 10.20 C ATOM 738 CD ARG A 44 11.284 3.885 -0.137 1.00 73.24 C ATOM 739 NE ARG A 44 10.915 2.725 0.670 1.00 71.12 N ATOM 740 CZ ARG A 44 11.697 1.663 0.831 1.00 53.12 C ATOM 741 NH1 ARG A 44 12.885 1.615 0.244 1.00 55.23 N ATOM 742 NH2 ARG A 44 11.291 0.647 1.581 1.00 71.40 N ATOM 0 H ARG A 44 14.796 6.129 1.451 1.00 74.33 H new ATOM 0 HA ARG A 44 14.617 3.768 -0.147 1.00 60.21 H new ATOM 0 HB2 ARG A 44 13.290 6.498 -0.197 1.00 50.20 H new ATOM 0 HB3 ARG A 44 12.922 5.264 -1.385 1.00 50.20 H new ATOM 0 HG2 ARG A 44 12.776 4.240 1.365 1.00 10.20 H new ATOM 0 HG3 ARG A 44 11.694 5.593 1.097 1.00 10.20 H new ATOM 0 HD2 ARG A 44 10.386 4.442 -0.403 1.00 73.24 H new ATOM 0 HD3 ARG A 44 11.738 3.548 -1.069 1.00 73.24 H new ATOM 0 HE ARG A 44 10.007 2.730 1.135 1.00 71.12 H new ATOM 0 HH11 ARG A 44 13.201 2.395 -0.333 1.00 55.23 H new ATOM 0 HH12 ARG A 44 13.483 0.798 0.369 1.00 55.23 H new ATOM 0 HH21 ARG A 44 10.378 0.681 2.034 1.00 71.40 H new ATOM 0 HH22 ARG A 44 11.892 -0.168 1.704 1.00 71.40 H new ATOM 756 N LEU A 45 15.894 6.497 -1.511 1.00 45.22 N ATOM 757 CA LEU A 45 16.702 6.982 -2.625 1.00 54.34 C ATOM 758 C LEU A 45 17.824 6.003 -2.952 1.00 22.43 C ATOM 759 O LEU A 45 17.936 5.499 -4.070 1.00 23.15 O ATOM 760 CB LEU A 45 17.288 8.356 -2.296 1.00 11.22 C ATOM 761 CG LEU A 45 18.609 8.705 -2.983 1.00 31.52 C ATOM 762 CD1 LEU A 45 18.520 8.437 -4.477 1.00 50.43 C ATOM 763 CD2 LEU A 45 18.980 10.157 -2.720 1.00 20.31 C ATOM 0 H LEU A 45 15.656 7.210 -0.821 1.00 45.22 H new ATOM 0 HA LEU A 45 16.056 7.069 -3.498 1.00 54.34 H new ATOM 0 HB2 LEU A 45 16.552 9.115 -2.561 1.00 11.22 H new ATOM 0 HB3 LEU A 45 17.435 8.417 -1.218 1.00 11.22 H new ATOM 0 HG LEU A 45 19.392 8.071 -2.567 1.00 31.52 H new ATOM 0 HD11 LEU A 45 19.469 8.691 -4.949 1.00 50.43 H new ATOM 0 HD12 LEU A 45 18.302 7.382 -4.645 1.00 50.43 H new ATOM 0 HD13 LEU A 45 17.725 9.045 -4.909 1.00 50.43 H new ATOM 0 HD21 LEU A 45 19.923 10.387 -3.216 1.00 20.31 H new ATOM 0 HD22 LEU A 45 18.197 10.809 -3.108 1.00 20.31 H new ATOM 0 HD23 LEU A 45 19.087 10.317 -1.647 1.00 20.31 H new ATOM 775 N PRO A 46 18.675 5.723 -1.953 1.00 41.32 N ATOM 776 CA PRO A 46 19.803 4.800 -2.109 1.00 74.41 C ATOM 777 C PRO A 46 19.349 3.351 -2.259 1.00 1.41 C ATOM 778 O PRO A 46 19.991 2.559 -2.947 1.00 43.02 O ATOM 779 CB PRO A 46 20.592 4.981 -0.810 1.00 40.13 C ATOM 780 CG PRO A 46 19.587 5.457 0.181 1.00 53.23 C ATOM 781 CD PRO A 46 18.602 6.287 -0.595 1.00 13.40 C ATOM 0 HA PRO A 46 20.382 5.012 -3.008 1.00 74.41 H new ATOM 0 HB2 PRO A 46 21.050 4.044 -0.491 1.00 40.13 H new ATOM 0 HB3 PRO A 46 21.398 5.704 -0.934 1.00 40.13 H new ATOM 0 HG2 PRO A 46 19.091 4.617 0.668 1.00 53.23 H new ATOM 0 HG3 PRO A 46 20.061 6.046 0.966 1.00 53.23 H new ATOM 0 HD2 PRO A 46 17.597 6.209 -0.181 1.00 13.40 H new ATOM 0 HD3 PRO A 46 18.870 7.343 -0.584 1.00 13.40 H new ATOM 789 N GLU A 47 18.239 3.014 -1.610 1.00 71.43 N ATOM 790 CA GLU A 47 17.701 1.660 -1.672 1.00 71.33 C ATOM 791 C GLU A 47 17.283 1.305 -3.096 1.00 54.14 C ATOM 792 O GLU A 47 17.531 0.196 -3.569 1.00 65.24 O ATOM 793 CB GLU A 47 16.505 1.519 -0.728 1.00 23.52 C ATOM 794 CG GLU A 47 16.875 0.989 0.647 1.00 22.43 C ATOM 795 CD GLU A 47 16.724 -0.517 0.752 1.00 3.45 C ATOM 796 OE1 GLU A 47 17.484 -1.239 0.073 1.00 14.53 O ATOM 797 OE2 GLU A 47 15.846 -0.972 1.515 1.00 62.21 O ATOM 0 H GLU A 47 17.696 3.659 -1.036 1.00 71.43 H new ATOM 0 HA GLU A 47 18.485 0.971 -1.359 1.00 71.33 H new ATOM 0 HB2 GLU A 47 16.024 2.491 -0.616 1.00 23.52 H new ATOM 0 HB3 GLU A 47 15.772 0.851 -1.181 1.00 23.52 H new ATOM 0 HG2 GLU A 47 17.905 1.264 0.873 1.00 22.43 H new ATOM 0 HG3 GLU A 47 16.246 1.467 1.398 1.00 22.43 H new ATOM 804 N ILE A 48 16.646 2.255 -3.773 1.00 72.44 N ATOM 805 CA ILE A 48 16.194 2.043 -5.143 1.00 14.22 C ATOM 806 C ILE A 48 17.248 2.499 -6.146 1.00 75.53 C ATOM 807 O ILE A 48 17.294 2.013 -7.276 1.00 2.32 O ATOM 808 CB ILE A 48 14.877 2.792 -5.423 1.00 20.32 C ATOM 809 CG1 ILE A 48 15.010 4.265 -5.032 1.00 52.25 C ATOM 810 CG2 ILE A 48 13.727 2.140 -4.670 1.00 12.23 C ATOM 811 CD1 ILE A 48 14.457 5.217 -6.070 1.00 1.21 C ATOM 0 H ILE A 48 16.431 3.178 -3.396 1.00 72.44 H new ATOM 0 HA ILE A 48 16.025 0.972 -5.258 1.00 14.22 H new ATOM 0 HB ILE A 48 14.664 2.737 -6.491 1.00 20.32 H new ATOM 0 HG12 ILE A 48 14.493 4.430 -4.087 1.00 52.25 H new ATOM 0 HG13 ILE A 48 16.062 4.495 -4.864 1.00 52.25 H new ATOM 0 HG21 ILE A 48 12.803 2.680 -4.878 1.00 12.23 H new ATOM 0 HG22 ILE A 48 13.622 1.104 -4.992 1.00 12.23 H new ATOM 0 HG23 ILE A 48 13.931 2.168 -3.600 1.00 12.23 H new ATOM 0 HD11 ILE A 48 14.585 6.244 -5.727 1.00 1.21 H new ATOM 0 HD12 ILE A 48 14.991 5.080 -7.011 1.00 1.21 H new ATOM 0 HD13 ILE A 48 13.397 5.014 -6.221 1.00 1.21 H new ATOM 823 N ASN A 49 18.093 3.433 -5.725 1.00 24.02 N ATOM 824 CA ASN A 49 19.149 3.953 -6.586 1.00 53.54 C ATOM 825 C ASN A 49 20.360 4.383 -5.764 1.00 61.32 C ATOM 826 O ASN A 49 20.405 5.478 -5.204 1.00 35.15 O ATOM 827 CB ASN A 49 18.629 5.136 -7.406 1.00 45.51 C ATOM 828 CG ASN A 49 18.270 4.743 -8.826 1.00 32.33 C ATOM 829 OD1 ASN A 49 19.060 4.108 -9.525 1.00 11.22 O ATOM 830 ND2 ASN A 49 17.072 5.119 -9.258 1.00 70.14 N ATOM 0 H ASN A 49 18.068 3.846 -4.793 1.00 24.02 H new ATOM 0 HA ASN A 49 19.457 3.156 -7.263 1.00 53.54 H new ATOM 0 HB2 ASN A 49 17.751 5.556 -6.915 1.00 45.51 H new ATOM 0 HB3 ASN A 49 19.387 5.919 -7.429 1.00 45.51 H new ATOM 0 HD21 ASN A 49 16.774 4.883 -10.204 1.00 70.14 H new ATOM 0 HD22 ASN A 49 16.450 5.644 -8.643 1.00 70.14 H new ATOM 837 N PRO A 50 21.368 3.500 -5.690 1.00 53.52 N ATOM 838 CA PRO A 50 22.599 3.766 -4.940 1.00 51.02 C ATOM 839 C PRO A 50 23.458 4.840 -5.598 1.00 41.40 C ATOM 840 O PRO A 50 24.043 5.683 -4.918 1.00 3.32 O ATOM 841 CB PRO A 50 23.323 2.417 -4.958 1.00 12.42 C ATOM 842 CG PRO A 50 22.809 1.728 -6.174 1.00 63.33 C ATOM 843 CD PRO A 50 21.383 2.176 -6.333 1.00 72.14 C ATOM 0 HA PRO A 50 22.393 4.142 -3.938 1.00 51.02 H new ATOM 0 HB2 PRO A 50 24.404 2.548 -5.005 1.00 12.42 H new ATOM 0 HB3 PRO A 50 23.110 1.841 -4.057 1.00 12.42 H new ATOM 0 HG2 PRO A 50 23.401 1.991 -7.051 1.00 63.33 H new ATOM 0 HG3 PRO A 50 22.868 0.645 -6.063 1.00 63.33 H new ATOM 0 HD2 PRO A 50 21.095 2.236 -7.383 1.00 72.14 H new ATOM 0 HD3 PRO A 50 20.689 1.487 -5.851 1.00 72.14 H new ATOM 851 N ASP A 51 23.529 4.805 -6.924 1.00 60.31 N ATOM 852 CA ASP A 51 24.316 5.777 -7.674 1.00 72.21 C ATOM 853 C ASP A 51 23.785 7.190 -7.456 1.00 11.23 C ATOM 854 O ASP A 51 24.542 8.106 -7.129 1.00 73.35 O ATOM 855 CB ASP A 51 24.299 5.437 -9.165 1.00 51.03 C ATOM 856 CG ASP A 51 25.076 4.174 -9.480 1.00 41.01 C ATOM 857 OD1 ASP A 51 26.250 4.081 -9.064 1.00 73.13 O ATOM 858 OD2 ASP A 51 24.511 3.279 -10.143 1.00 70.12 O ATOM 0 H ASP A 51 23.051 4.114 -7.502 1.00 60.31 H new ATOM 0 HA ASP A 51 25.343 5.734 -7.311 1.00 72.21 H new ATOM 0 HB2 ASP A 51 23.267 5.317 -9.496 1.00 51.03 H new ATOM 0 HB3 ASP A 51 24.720 6.269 -9.729 1.00 51.03 H new ATOM 863 N LEU A 52 22.480 7.361 -7.639 1.00 3.34 N ATOM 864 CA LEU A 52 21.847 8.664 -7.463 1.00 24.14 C ATOM 865 C LEU A 52 22.013 9.160 -6.030 1.00 11.41 C ATOM 866 O LEU A 52 22.180 10.356 -5.792 1.00 51.34 O ATOM 867 CB LEU A 52 20.362 8.583 -7.818 1.00 52.21 C ATOM 868 CG LEU A 52 19.826 9.697 -8.719 1.00 32.24 C ATOM 869 CD1 LEU A 52 20.295 9.497 -10.151 1.00 71.14 C ATOM 870 CD2 LEU A 52 18.306 9.749 -8.655 1.00 63.13 C ATOM 0 H LEU A 52 21.840 6.614 -7.909 1.00 3.34 H new ATOM 0 HA LEU A 52 22.336 9.372 -8.132 1.00 24.14 H new ATOM 0 HB2 LEU A 52 20.177 7.627 -8.307 1.00 52.21 H new ATOM 0 HB3 LEU A 52 19.787 8.583 -6.892 1.00 52.21 H new ATOM 0 HG LEU A 52 20.218 10.649 -8.360 1.00 32.24 H new ATOM 0 HD11 LEU A 52 19.904 10.299 -10.777 1.00 71.14 H new ATOM 0 HD12 LEU A 52 21.384 9.511 -10.182 1.00 71.14 H new ATOM 0 HD13 LEU A 52 19.933 8.538 -10.522 1.00 71.14 H new ATOM 0 HD21 LEU A 52 17.942 10.547 -9.302 1.00 63.13 H new ATOM 0 HD22 LEU A 52 17.895 8.796 -8.988 1.00 63.13 H new ATOM 0 HD23 LEU A 52 17.991 9.941 -7.629 1.00 63.13 H new ATOM 882 N ALA A 53 21.967 8.233 -5.079 1.00 2.33 N ATOM 883 CA ALA A 53 22.116 8.576 -3.670 1.00 3.21 C ATOM 884 C ALA A 53 23.424 9.320 -3.421 1.00 63.33 C ATOM 885 O ALA A 53 23.546 10.076 -2.458 1.00 71.35 O ATOM 886 CB ALA A 53 22.048 7.322 -2.811 1.00 65.14 C ATOM 0 H ALA A 53 21.828 7.239 -5.259 1.00 2.33 H new ATOM 0 HA ALA A 53 21.294 9.237 -3.394 1.00 3.21 H new ATOM 0 HB1 ALA A 53 22.161 7.593 -1.761 1.00 65.14 H new ATOM 0 HB2 ALA A 53 21.085 6.832 -2.958 1.00 65.14 H new ATOM 0 HB3 ALA A 53 22.849 6.641 -3.098 1.00 65.14 H new ATOM 892 N ASN A 54 24.401 9.099 -4.296 1.00 35.23 N ATOM 893 CA ASN A 54 25.701 9.747 -4.170 1.00 13.44 C ATOM 894 C ASN A 54 25.603 11.232 -4.508 1.00 22.13 C ATOM 895 O ASN A 54 26.289 12.060 -3.910 1.00 43.42 O ATOM 896 CB ASN A 54 26.723 9.070 -5.085 1.00 55.43 C ATOM 897 CG ASN A 54 27.915 8.530 -4.321 1.00 22.54 C ATOM 898 OD1 ASN A 54 28.511 9.230 -3.502 1.00 30.43 O ATOM 899 ND2 ASN A 54 28.269 7.277 -4.585 1.00 43.34 N ATOM 0 H ASN A 54 24.316 8.476 -5.099 1.00 35.23 H new ATOM 0 HA ASN A 54 26.030 9.649 -3.135 1.00 13.44 H new ATOM 0 HB2 ASN A 54 26.240 8.254 -5.623 1.00 55.43 H new ATOM 0 HB3 ASN A 54 27.067 9.785 -5.832 1.00 55.43 H new ATOM 0 HD21 ASN A 54 29.063 6.859 -4.101 1.00 43.34 H new ATOM 0 HD22 ASN A 54 27.746 6.733 -5.272 1.00 43.34 H new ATOM 906 N GLU A 55 24.746 11.559 -5.469 1.00 55.31 N ATOM 907 CA GLU A 55 24.559 12.944 -5.886 1.00 73.03 C ATOM 908 C GLU A 55 24.236 13.834 -4.689 1.00 63.03 C ATOM 909 O GLU A 55 24.921 14.825 -4.436 1.00 41.21 O ATOM 910 CB GLU A 55 23.439 13.041 -6.924 1.00 75.41 C ATOM 911 CG GLU A 55 23.578 12.046 -8.065 1.00 11.44 C ATOM 912 CD GLU A 55 22.738 12.420 -9.270 1.00 41.45 C ATOM 913 OE1 GLU A 55 21.636 12.975 -9.076 1.00 42.31 O ATOM 914 OE2 GLU A 55 23.182 12.158 -10.408 1.00 1.23 O ATOM 0 H GLU A 55 24.170 10.885 -5.973 1.00 55.31 H new ATOM 0 HA GLU A 55 25.491 13.290 -6.334 1.00 73.03 H new ATOM 0 HB2 GLU A 55 22.481 12.881 -6.429 1.00 75.41 H new ATOM 0 HB3 GLU A 55 23.421 14.051 -7.334 1.00 75.41 H new ATOM 0 HG2 GLU A 55 24.625 11.983 -8.362 1.00 11.44 H new ATOM 0 HG3 GLU A 55 23.286 11.056 -7.716 1.00 11.44 H new ATOM 921 N VAL A 56 23.188 13.473 -3.956 1.00 72.12 N ATOM 922 CA VAL A 56 22.774 14.237 -2.786 1.00 12.23 C ATOM 923 C VAL A 56 23.841 14.197 -1.698 1.00 0.33 C ATOM 924 O VAL A 56 23.938 15.107 -0.874 1.00 21.03 O ATOM 925 CB VAL A 56 21.448 13.706 -2.209 1.00 1.13 C ATOM 926 CG1 VAL A 56 21.593 12.251 -1.789 1.00 2.45 C ATOM 927 CG2 VAL A 56 20.995 14.565 -1.038 1.00 10.20 C ATOM 0 H VAL A 56 22.610 12.656 -4.152 1.00 72.12 H new ATOM 0 HA VAL A 56 22.632 15.267 -3.114 1.00 12.23 H new ATOM 0 HB VAL A 56 20.686 13.760 -2.986 1.00 1.13 H new ATOM 0 HG11 VAL A 56 20.646 11.893 -1.384 1.00 2.45 H new ATOM 0 HG12 VAL A 56 21.868 11.648 -2.654 1.00 2.45 H new ATOM 0 HG13 VAL A 56 22.368 12.168 -1.027 1.00 2.45 H new ATOM 0 HG21 VAL A 56 20.057 14.176 -0.643 1.00 10.20 H new ATOM 0 HG22 VAL A 56 21.755 14.544 -0.256 1.00 10.20 H new ATOM 0 HG23 VAL A 56 20.849 15.591 -1.375 1.00 10.20 H new ATOM 937 N LYS A 57 24.642 13.137 -1.701 1.00 34.25 N ATOM 938 CA LYS A 57 25.704 12.977 -0.715 1.00 45.33 C ATOM 939 C LYS A 57 26.898 13.865 -1.054 1.00 60.30 C ATOM 940 O LYS A 57 27.634 14.295 -0.167 1.00 12.23 O ATOM 941 CB LYS A 57 26.147 11.514 -0.645 1.00 1.14 C ATOM 942 CG LYS A 57 27.472 11.313 0.070 1.00 44.42 C ATOM 943 CD LYS A 57 27.417 11.821 1.501 1.00 32.31 C ATOM 944 CE LYS A 57 26.507 10.959 2.363 1.00 24.51 C ATOM 945 NZ LYS A 57 27.084 9.606 2.597 1.00 71.53 N ATOM 0 H LYS A 57 24.576 12.375 -2.376 1.00 34.25 H new ATOM 0 HA LYS A 57 25.313 13.278 0.257 1.00 45.33 H new ATOM 0 HB2 LYS A 57 25.377 10.934 -0.136 1.00 1.14 H new ATOM 0 HB3 LYS A 57 26.226 11.118 -1.658 1.00 1.14 H new ATOM 0 HG2 LYS A 57 27.730 10.254 0.069 1.00 44.42 H new ATOM 0 HG3 LYS A 57 28.261 11.834 -0.472 1.00 44.42 H new ATOM 0 HD2 LYS A 57 28.421 11.829 1.925 1.00 32.31 H new ATOM 0 HD3 LYS A 57 27.060 12.851 1.509 1.00 32.31 H new ATOM 0 HE2 LYS A 57 26.339 11.453 3.320 1.00 24.51 H new ATOM 0 HE3 LYS A 57 25.535 10.861 1.880 1.00 24.51 H new ATOM 0 HZ1 LYS A 57 26.545 9.123 3.344 1.00 71.53 H new ATOM 0 HZ2 LYS A 57 27.033 9.050 1.719 1.00 71.53 H new ATOM 0 HZ3 LYS A 57 28.077 9.698 2.891 1.00 71.53 H new ATOM 959 N GLU A 58 27.082 14.135 -2.343 1.00 21.24 N ATOM 960 CA GLU A 58 28.186 14.972 -2.797 1.00 24.13 C ATOM 961 C GLU A 58 28.032 16.401 -2.285 1.00 10.11 C ATOM 962 O GLU A 58 28.939 16.948 -1.657 1.00 44.25 O ATOM 963 CB GLU A 58 28.261 14.971 -4.325 1.00 42.10 C ATOM 964 CG GLU A 58 28.868 13.704 -4.904 1.00 43.31 C ATOM 965 CD GLU A 58 29.503 13.930 -6.263 1.00 31.33 C ATOM 966 OE1 GLU A 58 30.573 14.572 -6.318 1.00 14.02 O ATOM 967 OE2 GLU A 58 28.930 13.465 -7.270 1.00 64.41 O ATOM 0 H GLU A 58 26.481 13.787 -3.090 1.00 21.24 H new ATOM 0 HA GLU A 58 29.111 14.558 -2.395 1.00 24.13 H new ATOM 0 HB2 GLU A 58 27.257 15.101 -4.730 1.00 42.10 H new ATOM 0 HB3 GLU A 58 28.850 15.828 -4.652 1.00 42.10 H new ATOM 0 HG2 GLU A 58 29.620 13.318 -4.215 1.00 43.31 H new ATOM 0 HG3 GLU A 58 28.094 12.941 -4.991 1.00 43.31 H new ATOM 974 N ILE A 59 26.877 16.999 -2.558 1.00 4.51 N ATOM 975 CA ILE A 59 26.604 18.364 -2.125 1.00 13.10 C ATOM 976 C ILE A 59 26.707 18.491 -0.609 1.00 11.01 C ATOM 977 O ILE A 59 27.057 19.550 -0.086 1.00 21.22 O ATOM 978 CB ILE A 59 25.205 18.827 -2.574 1.00 1.24 C ATOM 979 CG1 ILE A 59 24.123 17.974 -1.907 1.00 45.43 C ATOM 980 CG2 ILE A 59 25.084 18.757 -4.089 1.00 24.45 C ATOM 981 CD1 ILE A 59 22.716 18.401 -2.260 1.00 34.43 C ATOM 0 H ILE A 59 26.116 16.560 -3.076 1.00 4.51 H new ATOM 0 HA ILE A 59 27.356 19.000 -2.592 1.00 13.10 H new ATOM 0 HB ILE A 59 25.065 19.863 -2.266 1.00 1.24 H new ATOM 0 HG12 ILE A 59 24.262 16.933 -2.198 1.00 45.43 H new ATOM 0 HG13 ILE A 59 24.248 18.023 -0.825 1.00 45.43 H new ATOM 0 HG21 ILE A 59 24.090 19.087 -4.390 1.00 24.45 H new ATOM 0 HG22 ILE A 59 25.835 19.403 -4.544 1.00 24.45 H new ATOM 0 HG23 ILE A 59 25.241 17.730 -4.419 1.00 24.45 H new ATOM 0 HD11 ILE A 59 22.001 17.753 -1.753 1.00 34.43 H new ATOM 0 HD12 ILE A 59 22.559 19.432 -1.944 1.00 34.43 H new ATOM 0 HD13 ILE A 59 22.572 18.325 -3.338 1.00 34.43 H new ATOM 993 N LEU A 60 26.402 17.405 0.092 1.00 33.22 N ATOM 994 CA LEU A 60 26.462 17.393 1.550 1.00 71.12 C ATOM 995 C LEU A 60 27.883 17.653 2.038 1.00 24.52 C ATOM 996 O LEU A 60 28.100 18.445 2.955 1.00 44.43 O ATOM 997 CB LEU A 60 25.962 16.052 2.090 1.00 72.14 C ATOM 998 CG LEU A 60 24.445 15.898 2.204 1.00 12.24 C ATOM 999 CD1 LEU A 60 24.087 14.519 2.736 1.00 12.25 C ATOM 1000 CD2 LEU A 60 23.865 16.984 3.099 1.00 51.10 C ATOM 0 H LEU A 60 26.111 16.521 -0.325 1.00 33.22 H new ATOM 0 HA LEU A 60 25.818 18.190 1.922 1.00 71.12 H new ATOM 0 HB2 LEU A 60 26.340 15.259 1.444 1.00 72.14 H new ATOM 0 HB3 LEU A 60 26.398 15.895 3.076 1.00 72.14 H new ATOM 0 HG LEU A 60 24.012 16.005 1.209 1.00 12.24 H new ATOM 0 HD11 LEU A 60 23.003 14.428 2.810 1.00 12.25 H new ATOM 0 HD12 LEU A 60 24.470 13.757 2.057 1.00 12.25 H new ATOM 0 HD13 LEU A 60 24.531 14.383 3.722 1.00 12.25 H new ATOM 0 HD21 LEU A 60 22.784 16.859 3.169 1.00 51.10 H new ATOM 0 HD22 LEU A 60 24.304 16.909 4.094 1.00 51.10 H new ATOM 0 HD23 LEU A 60 24.091 17.963 2.676 1.00 51.10 H new ATOM 1012 N ASP A 61 28.848 16.981 1.419 1.00 31.00 N ATOM 1013 CA ASP A 61 30.250 17.141 1.788 1.00 14.32 C ATOM 1014 C ASP A 61 30.703 18.584 1.588 1.00 54.21 C ATOM 1015 O ASP A 61 31.629 19.052 2.251 1.00 54.42 O ATOM 1016 CB ASP A 61 31.127 16.199 0.963 1.00 23.12 C ATOM 1017 CG ASP A 61 32.559 16.156 1.461 1.00 15.15 C ATOM 1018 OD1 ASP A 61 32.758 15.936 2.675 1.00 44.13 O ATOM 1019 OD2 ASP A 61 33.479 16.342 0.638 1.00 33.42 O ATOM 0 H ASP A 61 28.685 16.320 0.659 1.00 31.00 H new ATOM 0 HA ASP A 61 30.354 16.890 2.844 1.00 14.32 H new ATOM 0 HB2 ASP A 61 30.705 15.195 0.993 1.00 23.12 H new ATOM 0 HB3 ASP A 61 31.117 16.518 -0.079 1.00 23.12 H new ATOM 1024 N TYR A 62 30.045 19.283 0.670 1.00 51.23 N ATOM 1025 CA TYR A 62 30.382 20.672 0.379 1.00 23.34 C ATOM 1026 C TYR A 62 29.656 21.619 1.329 1.00 32.15 C ATOM 1027 O TYR A 62 30.128 22.722 1.606 1.00 11.15 O ATOM 1028 CB TYR A 62 30.027 21.013 -1.069 1.00 23.32 C ATOM 1029 CG TYR A 62 29.915 22.497 -1.331 1.00 54.51 C ATOM 1030 CD1 TYR A 62 31.037 23.316 -1.298 1.00 15.22 C ATOM 1031 CD2 TYR A 62 28.686 23.081 -1.613 1.00 54.42 C ATOM 1032 CE1 TYR A 62 30.938 24.673 -1.536 1.00 52.31 C ATOM 1033 CE2 TYR A 62 28.578 24.437 -1.854 1.00 53.53 C ATOM 1034 CZ TYR A 62 29.706 25.229 -1.814 1.00 44.20 C ATOM 1035 OH TYR A 62 29.604 26.580 -2.053 1.00 41.43 O ATOM 0 H TYR A 62 29.275 18.911 0.114 1.00 51.23 H new ATOM 0 HA TYR A 62 31.456 20.796 0.521 1.00 23.34 H new ATOM 0 HB2 TYR A 62 30.786 20.592 -1.729 1.00 23.32 H new ATOM 0 HB3 TYR A 62 29.081 20.535 -1.325 1.00 23.32 H new ATOM 0 HD1 TYR A 62 32.003 22.884 -1.083 1.00 15.22 H new ATOM 0 HD2 TYR A 62 27.800 22.464 -1.644 1.00 54.42 H new ATOM 0 HE1 TYR A 62 31.820 25.295 -1.505 1.00 52.31 H new ATOM 0 HE2 TYR A 62 27.615 24.874 -2.073 1.00 53.53 H new ATOM 0 HH TYR A 62 28.669 26.811 -2.234 1.00 41.43 H new ATOM 1045 N HIS A 63 28.504 21.180 1.827 1.00 71.55 N ATOM 1046 CA HIS A 63 27.711 21.987 2.747 1.00 21.41 C ATOM 1047 C HIS A 63 28.432 22.156 4.081 1.00 65.22 C ATOM 1048 O HIS A 63 28.190 23.115 4.813 1.00 54.51 O ATOM 1049 CB HIS A 63 26.342 21.344 2.972 1.00 10.44 C ATOM 1050 CG HIS A 63 25.523 21.227 1.724 1.00 32.21 C ATOM 1051 ND1 HIS A 63 24.523 20.290 1.565 1.00 2.23 N ATOM 1052 CD2 HIS A 63 25.558 21.936 0.572 1.00 64.13 C ATOM 1053 CE1 HIS A 63 23.981 20.427 0.369 1.00 53.23 C ATOM 1054 NE2 HIS A 63 24.591 21.419 -0.254 1.00 54.53 N ATOM 0 H HIS A 63 28.099 20.270 1.609 1.00 71.55 H new ATOM 0 HA HIS A 63 27.573 22.972 2.301 1.00 21.41 H new ATOM 0 HB2 HIS A 63 26.482 20.351 3.399 1.00 10.44 H new ATOM 0 HB3 HIS A 63 25.790 21.932 3.705 1.00 10.44 H new ATOM 0 HD2 HIS A 63 26.223 22.756 0.345 1.00 64.13 H new ATOM 0 HE1 HIS A 63 23.176 19.829 -0.032 1.00 53.23 H new ATOM 0 HE2 HIS A 63 24.378 21.748 -1.196 1.00 54.53 H new ATOM 1062 N LYS A 64 29.320 21.217 4.391 1.00 1.10 N ATOM 1063 CA LYS A 64 30.078 21.261 5.636 1.00 52.40 C ATOM 1064 C LYS A 64 31.306 22.155 5.494 1.00 71.20 C ATOM 1065 O LYS A 64 31.794 22.716 6.475 1.00 21.51 O ATOM 1066 CB LYS A 64 30.505 19.851 6.047 1.00 22.44 C ATOM 1067 CG LYS A 64 29.572 19.202 7.055 1.00 72.12 C ATOM 1068 CD LYS A 64 30.334 18.661 8.253 1.00 14.12 C ATOM 1069 CE LYS A 64 30.530 19.730 9.317 1.00 33.15 C ATOM 1070 NZ LYS A 64 29.566 19.576 10.442 1.00 12.21 N ATOM 0 H LYS A 64 29.532 20.416 3.797 1.00 1.10 H new ATOM 0 HA LYS A 64 29.434 21.679 6.410 1.00 52.40 H new ATOM 0 HB2 LYS A 64 30.559 19.223 5.158 1.00 22.44 H new ATOM 0 HB3 LYS A 64 31.509 19.893 6.469 1.00 22.44 H new ATOM 0 HG2 LYS A 64 28.834 19.931 7.391 1.00 72.12 H new ATOM 0 HG3 LYS A 64 29.024 18.391 6.575 1.00 72.12 H new ATOM 0 HD2 LYS A 64 29.792 17.817 8.679 1.00 14.12 H new ATOM 0 HD3 LYS A 64 31.305 18.286 7.929 1.00 14.12 H new ATOM 0 HE2 LYS A 64 31.549 19.677 9.702 1.00 33.15 H new ATOM 0 HE3 LYS A 64 30.410 20.716 8.868 1.00 33.15 H new ATOM 0 HZ1 LYS A 64 29.732 20.323 11.146 1.00 12.21 H new ATOM 0 HZ2 LYS A 64 28.594 19.652 10.079 1.00 12.21 H new ATOM 0 HZ3 LYS A 64 29.698 18.645 10.887 1.00 12.21 H new ATOM 1084 N SER A 65 31.800 22.284 4.267 1.00 74.14 N ATOM 1085 CA SER A 65 32.972 23.108 3.997 1.00 23.41 C ATOM 1086 C SER A 65 32.691 24.573 4.313 1.00 53.43 C ATOM 1087 O SER A 65 33.422 25.207 5.074 1.00 44.33 O ATOM 1088 CB SER A 65 33.399 22.962 2.535 1.00 21.32 C ATOM 1089 OG SER A 65 34.546 22.138 2.419 1.00 61.35 O ATOM 0 H SER A 65 31.407 21.828 3.444 1.00 74.14 H new ATOM 0 HA SER A 65 33.782 22.765 4.640 1.00 23.41 H new ATOM 0 HB2 SER A 65 32.581 22.536 1.955 1.00 21.32 H new ATOM 0 HB3 SER A 65 33.610 23.945 2.114 1.00 21.32 H new ATOM 0 HG SER A 65 34.798 22.059 1.475 1.00 61.35 H new ATOM 1095 N ILE A 66 31.626 25.105 3.722 1.00 13.14 N ATOM 1096 CA ILE A 66 31.246 26.495 3.941 1.00 42.43 C ATOM 1097 C ILE A 66 30.404 26.644 5.204 1.00 64.45 C ATOM 1098 O ILE A 66 30.042 27.754 5.593 1.00 31.34 O ATOM 1099 CB ILE A 66 30.459 27.059 2.743 1.00 34.22 C ATOM 1100 CG1 ILE A 66 28.977 26.697 2.864 1.00 52.21 C ATOM 1101 CG2 ILE A 66 31.033 26.532 1.437 1.00 41.35 C ATOM 1102 CD1 ILE A 66 28.717 25.207 2.875 1.00 43.12 C ATOM 0 H ILE A 66 31.011 24.594 3.088 1.00 13.14 H new ATOM 0 HA ILE A 66 32.171 27.060 4.056 1.00 42.43 H new ATOM 0 HB ILE A 66 30.551 28.145 2.745 1.00 34.22 H new ATOM 0 HG12 ILE A 66 28.578 27.134 3.780 1.00 52.21 H new ATOM 0 HG13 ILE A 66 28.433 27.146 2.033 1.00 52.21 H new ATOM 0 HG21 ILE A 66 30.466 26.939 0.600 1.00 41.35 H new ATOM 0 HG22 ILE A 66 32.077 26.834 1.350 1.00 41.35 H new ATOM 0 HG23 ILE A 66 30.968 25.444 1.424 1.00 41.35 H new ATOM 0 HD11 ILE A 66 27.646 25.025 2.963 1.00 43.12 H new ATOM 0 HD12 ILE A 66 29.085 24.767 1.948 1.00 43.12 H new ATOM 0 HD13 ILE A 66 29.233 24.754 3.722 1.00 43.12 H new ATOM 1114 N ARG A 67 30.098 25.518 5.840 1.00 63.54 N ATOM 1115 CA ARG A 67 29.300 25.522 7.059 1.00 34.12 C ATOM 1116 C ARG A 67 29.854 26.522 8.069 1.00 44.41 C ATOM 1117 O ARG A 67 29.099 27.223 8.744 1.00 22.52 O ATOM 1118 CB ARG A 67 29.266 24.123 7.677 1.00 20.22 C ATOM 1119 CG ARG A 67 28.551 24.066 9.017 1.00 31.12 C ATOM 1120 CD ARG A 67 29.517 24.272 10.173 1.00 11.14 C ATOM 1121 NE ARG A 67 28.911 25.030 11.265 1.00 75.23 N ATOM 1122 CZ ARG A 67 29.590 25.476 12.316 1.00 54.25 C ATOM 1123 NH1 ARG A 67 30.891 25.242 12.416 1.00 13.42 N ATOM 1124 NH2 ARG A 67 28.967 26.159 13.268 1.00 21.42 N ATOM 0 H ARG A 67 30.391 24.591 5.531 1.00 63.54 H new ATOM 0 HA ARG A 67 28.285 25.821 6.797 1.00 34.12 H new ATOM 0 HB2 ARG A 67 28.775 23.441 6.983 1.00 20.22 H new ATOM 0 HB3 ARG A 67 30.288 23.767 7.805 1.00 20.22 H new ATOM 0 HG2 ARG A 67 27.775 24.831 9.049 1.00 31.12 H new ATOM 0 HG3 ARG A 67 28.054 23.102 9.124 1.00 31.12 H new ATOM 0 HD2 ARG A 67 29.849 23.303 10.545 1.00 11.14 H new ATOM 0 HD3 ARG A 67 30.403 24.797 9.816 1.00 11.14 H new ATOM 0 HE ARG A 67 27.911 25.228 11.218 1.00 75.23 H new ATOM 0 HH11 ARG A 67 31.373 24.719 11.685 1.00 13.42 H new ATOM 0 HH12 ARG A 67 31.410 25.585 13.224 1.00 13.42 H new ATOM 0 HH21 ARG A 67 27.966 26.342 13.193 1.00 21.42 H new ATOM 0 HH22 ARG A 67 29.489 26.501 14.075 1.00 21.42 H new ATOM 1138 N HIS A 68 31.179 26.584 8.167 1.00 74.10 N ATOM 1139 CA HIS A 68 31.835 27.499 9.094 1.00 31.23 C ATOM 1140 C HIS A 68 31.316 28.922 8.912 1.00 61.11 C ATOM 1141 O HIS A 68 31.203 29.681 9.875 1.00 31.15 O ATOM 1142 CB HIS A 68 33.350 27.466 8.890 1.00 32.31 C ATOM 1143 CG HIS A 68 34.090 26.797 10.007 1.00 22.20 C ATOM 1144 ND1 HIS A 68 34.732 27.494 11.009 1.00 55.32 N ATOM 1145 CD2 HIS A 68 34.288 25.485 10.278 1.00 52.41 C ATOM 1146 CE1 HIS A 68 35.293 26.641 11.846 1.00 21.05 C ATOM 1147 NE2 HIS A 68 35.038 25.415 11.426 1.00 42.23 N ATOM 0 H HIS A 68 31.819 26.012 7.616 1.00 74.10 H new ATOM 0 HA HIS A 68 31.606 27.175 10.109 1.00 31.23 H new ATOM 0 HB2 HIS A 68 33.572 26.948 7.957 1.00 32.31 H new ATOM 0 HB3 HIS A 68 33.716 28.487 8.783 1.00 32.31 H new ATOM 0 HD2 HIS A 68 33.924 24.649 9.699 1.00 52.41 H new ATOM 0 HE1 HIS A 68 35.864 26.902 12.725 1.00 21.05 H new ATOM 0 HE2 HIS A 68 35.348 24.556 11.880 1.00 42.23 H new ATOM 1155 N LEU A 69 31.003 29.278 7.671 1.00 71.30 N ATOM 1156 CA LEU A 69 30.497 30.610 7.362 1.00 54.42 C ATOM 1157 C LEU A 69 29.015 30.724 7.707 1.00 21.30 C ATOM 1158 O LEU A 69 28.535 31.794 8.080 1.00 33.15 O ATOM 1159 CB LEU A 69 30.713 30.929 5.881 1.00 33.13 C ATOM 1160 CG LEU A 69 32.152 30.822 5.375 1.00 14.30 C ATOM 1161 CD1 LEU A 69 32.172 30.552 3.879 1.00 43.24 C ATOM 1162 CD2 LEU A 69 32.927 32.091 5.701 1.00 71.33 C ATOM 0 H LEU A 69 31.091 28.662 6.862 1.00 71.30 H new ATOM 0 HA LEU A 69 31.049 31.330 7.967 1.00 54.42 H new ATOM 0 HB2 LEU A 69 30.090 30.257 5.290 1.00 33.13 H new ATOM 0 HB3 LEU A 69 30.357 31.942 5.692 1.00 33.13 H new ATOM 0 HG LEU A 69 32.634 29.986 5.881 1.00 14.30 H new ATOM 0 HD11 LEU A 69 33.204 30.479 3.536 1.00 43.24 H new ATOM 0 HD12 LEU A 69 31.653 29.616 3.671 1.00 43.24 H new ATOM 0 HD13 LEU A 69 31.673 31.367 3.355 1.00 43.24 H new ATOM 0 HD21 LEU A 69 33.949 31.998 5.334 1.00 71.33 H new ATOM 0 HD22 LEU A 69 32.446 32.944 5.223 1.00 71.33 H new ATOM 0 HD23 LEU A 69 32.942 32.241 6.781 1.00 71.33 H new ATOM 1174 N ARG A 70 28.297 29.612 7.582 1.00 50.55 N ATOM 1175 CA ARG A 70 26.870 29.587 7.881 1.00 24.11 C ATOM 1176 C ARG A 70 26.631 29.583 9.388 1.00 24.32 C ATOM 1177 O ARG A 70 25.579 30.009 9.861 1.00 11.32 O ATOM 1178 CB ARG A 70 26.216 28.358 7.247 1.00 64.02 C ATOM 1179 CG ARG A 70 26.644 28.114 5.809 1.00 41.42 C ATOM 1180 CD ARG A 70 25.906 26.932 5.201 1.00 62.12 C ATOM 1181 NE ARG A 70 24.465 27.012 5.424 1.00 2.33 N ATOM 1182 CZ ARG A 70 23.643 25.977 5.297 1.00 72.05 C ATOM 1183 NH1 ARG A 70 24.117 24.789 4.949 1.00 32.50 N ATOM 1184 NH2 ARG A 70 22.343 26.129 5.517 1.00 3.30 N ATOM 0 H ARG A 70 28.680 28.717 7.276 1.00 50.55 H new ATOM 0 HA ARG A 70 26.420 30.487 7.461 1.00 24.11 H new ATOM 0 HB2 ARG A 70 26.459 27.479 7.844 1.00 64.02 H new ATOM 0 HB3 ARG A 70 25.133 28.476 7.280 1.00 64.02 H new ATOM 0 HG2 ARG A 70 26.454 29.008 5.215 1.00 41.42 H new ATOM 0 HG3 ARG A 70 27.718 27.931 5.774 1.00 41.42 H new ATOM 0 HD2 ARG A 70 26.105 26.892 4.130 1.00 62.12 H new ATOM 0 HD3 ARG A 70 26.288 26.006 5.631 1.00 62.12 H new ATOM 0 HE ARG A 70 24.068 27.913 5.692 1.00 2.33 H new ATOM 0 HH11 ARG A 70 25.115 24.668 4.778 1.00 32.50 H new ATOM 0 HH12 ARG A 70 23.483 23.996 4.852 1.00 32.50 H new ATOM 0 HH21 ARG A 70 21.974 27.042 5.784 1.00 3.30 H new ATOM 0 HH22 ARG A 70 21.713 25.333 5.419 1.00 3.30 H new ATOM 1198 N GLY A 71 27.617 29.097 10.137 1.00 34.43 N ATOM 1199 CA GLY A 71 27.494 29.045 11.582 1.00 14.44 C ATOM 1200 C GLY A 71 27.104 30.383 12.179 1.00 54.21 C ATOM 1201 O GLY A 71 26.475 30.440 13.235 1.00 2.40 O ATOM 0 H GLY A 71 28.498 28.739 9.769 1.00 34.43 H new ATOM 0 HA2 GLY A 71 26.748 28.298 11.853 1.00 14.44 H new ATOM 0 HA3 GLY A 71 28.441 28.721 12.013 1.00 14.44 H new ATOM 1205 N GLY A 72 27.479 31.464 11.501 1.00 32.21 N ATOM 1206 CA GLY A 72 27.157 32.793 11.987 1.00 60.03 C ATOM 1207 C GLY A 72 25.683 32.954 12.303 1.00 62.33 C ATOM 1208 O GLY A 72 25.311 33.747 13.166 1.00 35.13 O ATOM 0 H GLY A 72 28.000 31.443 10.624 1.00 32.21 H new ATOM 0 HA2 GLY A 72 27.742 33.000 12.883 1.00 60.03 H new ATOM 0 HA3 GLY A 72 27.448 33.530 11.239 1.00 60.03 H new ATOM 1212 N GLU A 73 24.843 32.200 11.600 1.00 22.01 N ATOM 1213 CA GLU A 73 23.402 32.265 11.809 1.00 14.44 C ATOM 1214 C GLU A 73 22.977 31.355 12.958 1.00 12.12 C ATOM 1215 O GLU A 73 22.197 31.753 13.823 1.00 24.35 O ATOM 1216 CB GLU A 73 22.660 31.871 10.531 1.00 72.04 C ATOM 1217 CG GLU A 73 23.279 32.444 9.267 1.00 71.54 C ATOM 1218 CD GLU A 73 23.236 33.959 9.231 1.00 64.11 C ATOM 1219 OE1 GLU A 73 22.132 34.524 9.374 1.00 51.21 O ATOM 1220 OE2 GLU A 73 24.306 34.579 9.060 1.00 44.22 O ATOM 0 H GLU A 73 25.136 31.538 10.882 1.00 22.01 H new ATOM 0 HA GLU A 73 23.145 33.292 12.067 1.00 14.44 H new ATOM 0 HB2 GLU A 73 22.638 30.784 10.454 1.00 72.04 H new ATOM 0 HB3 GLU A 73 21.625 32.207 10.603 1.00 72.04 H new ATOM 0 HG2 GLU A 73 24.314 32.112 9.191 1.00 71.54 H new ATOM 0 HG3 GLU A 73 22.753 32.049 8.398 1.00 71.54 H new ATOM 1227 N ALA A 74 23.495 30.131 12.958 1.00 0.32 N ATOM 1228 CA ALA A 74 23.171 29.165 14.000 1.00 23.32 C ATOM 1229 C ALA A 74 23.465 29.731 15.385 1.00 0.41 C ATOM 1230 O ALA A 74 22.860 29.322 16.377 1.00 50.04 O ATOM 1231 CB ALA A 74 23.946 27.873 13.781 1.00 15.41 C ATOM 0 H ALA A 74 24.141 29.785 12.248 1.00 0.32 H new ATOM 0 HA ALA A 74 22.104 28.951 13.943 1.00 23.32 H new ATOM 0 HB1 ALA A 74 23.695 27.160 14.566 1.00 15.41 H new ATOM 0 HB2 ALA A 74 23.684 27.451 12.811 1.00 15.41 H new ATOM 0 HB3 ALA A 74 25.016 28.081 13.809 1.00 15.41 H new ATOM 1237 N THR A 75 24.399 30.676 15.447 1.00 34.03 N ATOM 1238 CA THR A 75 24.774 31.297 16.711 1.00 50.51 C ATOM 1239 C THR A 75 23.615 32.097 17.296 1.00 23.32 C ATOM 1240 O THR A 75 23.222 31.890 18.445 1.00 41.25 O ATOM 1241 CB THR A 75 25.990 32.228 16.540 1.00 32.32 C ATOM 1242 OG1 THR A 75 26.786 31.794 15.432 1.00 44.30 O ATOM 1243 CG2 THR A 75 26.837 32.248 17.803 1.00 23.13 C ATOM 0 H THR A 75 24.909 31.027 14.637 1.00 34.03 H new ATOM 0 HA THR A 75 25.036 30.489 17.394 1.00 50.51 H new ATOM 0 HB THR A 75 25.624 33.237 16.351 1.00 32.32 H new ATOM 0 HG1 THR A 75 27.556 32.391 15.328 1.00 44.30 H new ATOM 0 HG21 THR A 75 27.690 32.912 17.659 1.00 23.13 H new ATOM 0 HG22 THR A 75 26.236 32.606 18.639 1.00 23.13 H new ATOM 0 HG23 THR A 75 27.194 31.241 18.018 1.00 23.13 H new ATOM 1251 N LYS A 76 23.071 33.010 16.500 1.00 52.24 N ATOM 1252 CA LYS A 76 21.955 33.840 16.937 1.00 12.22 C ATOM 1253 C LYS A 76 20.659 33.036 16.970 1.00 11.21 C ATOM 1254 O LYS A 76 19.774 33.299 17.785 1.00 15.41 O ATOM 1255 CB LYS A 76 21.795 35.047 16.010 1.00 63.14 C ATOM 1256 CG LYS A 76 23.092 35.796 15.758 1.00 3.42 C ATOM 1257 CD LYS A 76 23.582 36.499 17.013 1.00 2.50 C ATOM 1258 CE LYS A 76 24.252 37.825 16.684 1.00 62.32 C ATOM 1259 NZ LYS A 76 23.320 38.974 16.849 1.00 74.23 N ATOM 0 H LYS A 76 23.385 33.194 15.547 1.00 52.24 H new ATOM 0 HA LYS A 76 22.170 34.191 17.946 1.00 12.22 H new ATOM 0 HB2 LYS A 76 21.388 34.711 15.056 1.00 63.14 H new ATOM 0 HB3 LYS A 76 21.067 35.733 16.443 1.00 63.14 H new ATOM 0 HG2 LYS A 76 23.854 35.099 15.409 1.00 3.42 H new ATOM 0 HG3 LYS A 76 22.942 36.528 14.964 1.00 3.42 H new ATOM 0 HD2 LYS A 76 22.742 36.672 17.686 1.00 2.50 H new ATOM 0 HD3 LYS A 76 24.286 35.855 17.540 1.00 2.50 H new ATOM 0 HE2 LYS A 76 25.118 37.964 17.331 1.00 62.32 H new ATOM 0 HE3 LYS A 76 24.621 37.801 15.658 1.00 62.32 H new ATOM 0 HZ1 LYS A 76 23.815 39.859 16.615 1.00 74.23 H new ATOM 0 HZ2 LYS A 76 22.506 38.854 16.213 1.00 74.23 H new ATOM 0 HZ3 LYS A 76 22.988 39.013 17.834 1.00 74.23 H new ATOM 1273 N LEU A 77 20.554 32.055 16.081 1.00 24.21 N ATOM 1274 CA LEU A 77 19.367 31.211 16.009 1.00 32.45 C ATOM 1275 C LEU A 77 19.055 30.594 17.369 1.00 34.50 C ATOM 1276 O LEU A 77 17.899 30.308 17.683 1.00 72.11 O ATOM 1277 CB LEU A 77 19.563 30.107 14.969 1.00 65.12 C ATOM 1278 CG LEU A 77 19.331 30.509 13.512 1.00 61.11 C ATOM 1279 CD1 LEU A 77 19.601 29.334 12.584 1.00 1.35 C ATOM 1280 CD2 LEU A 77 17.913 31.026 13.321 1.00 11.41 C ATOM 0 H LEU A 77 21.277 31.824 15.400 1.00 24.21 H new ATOM 0 HA LEU A 77 18.525 31.836 15.711 1.00 32.45 H new ATOM 0 HB2 LEU A 77 20.579 29.724 15.062 1.00 65.12 H new ATOM 0 HB3 LEU A 77 18.889 29.285 15.210 1.00 65.12 H new ATOM 0 HG LEU A 77 20.026 31.311 13.262 1.00 61.11 H new ATOM 0 HD11 LEU A 77 19.431 29.639 11.552 1.00 1.35 H new ATOM 0 HD12 LEU A 77 20.635 29.009 12.700 1.00 1.35 H new ATOM 0 HD13 LEU A 77 18.931 28.511 12.834 1.00 1.35 H new ATOM 0 HD21 LEU A 77 17.766 31.307 12.278 1.00 11.41 H new ATOM 0 HD22 LEU A 77 17.202 30.245 13.590 1.00 11.41 H new ATOM 0 HD23 LEU A 77 17.754 31.896 13.958 1.00 11.41 H new ATOM 1292 N LYS A 78 20.092 30.392 18.174 1.00 44.11 N ATOM 1293 CA LYS A 78 19.930 29.812 19.502 1.00 42.41 C ATOM 1294 C LYS A 78 19.046 30.695 20.377 1.00 55.15 C ATOM 1295 O LYS A 78 18.340 30.204 21.258 1.00 70.11 O ATOM 1296 CB LYS A 78 21.295 29.621 20.168 1.00 72.05 C ATOM 1297 CG LYS A 78 21.841 30.885 20.809 1.00 23.41 C ATOM 1298 CD LYS A 78 23.326 30.761 21.107 1.00 1.43 C ATOM 1299 CE LYS A 78 23.570 30.199 22.499 1.00 22.22 C ATOM 1300 NZ LYS A 78 24.980 30.393 22.937 1.00 43.44 N ATOM 0 H LYS A 78 21.055 30.622 17.930 1.00 44.11 H new ATOM 0 HA LYS A 78 19.448 28.841 19.390 1.00 42.41 H new ATOM 0 HB2 LYS A 78 21.213 28.844 20.928 1.00 72.05 H new ATOM 0 HB3 LYS A 78 22.007 29.265 19.423 1.00 72.05 H new ATOM 0 HG2 LYS A 78 21.671 31.733 20.146 1.00 23.41 H new ATOM 0 HG3 LYS A 78 21.299 31.089 21.732 1.00 23.41 H new ATOM 0 HD2 LYS A 78 23.794 30.114 20.365 1.00 1.43 H new ATOM 0 HD3 LYS A 78 23.799 31.739 21.021 1.00 1.43 H new ATOM 0 HE2 LYS A 78 22.899 30.684 23.209 1.00 22.22 H new ATOM 0 HE3 LYS A 78 23.330 29.136 22.508 1.00 22.22 H new ATOM 0 HZ1 LYS A 78 25.105 29.996 23.890 1.00 43.44 H new ATOM 0 HZ2 LYS A 78 25.619 29.909 22.274 1.00 43.44 H new ATOM 0 HZ3 LYS A 78 25.202 31.409 22.953 1.00 43.44 H new ATOM 1314 N TYR A 79 19.087 31.999 20.126 1.00 22.13 N ATOM 1315 CA TYR A 79 18.290 32.950 20.892 1.00 71.12 C ATOM 1316 C TYR A 79 16.825 32.898 20.468 1.00 2.31 C ATOM 1317 O TYR A 79 15.929 33.227 21.246 1.00 61.01 O ATOM 1318 CB TYR A 79 18.835 34.367 20.710 1.00 43.40 C ATOM 1319 CG TYR A 79 20.190 34.581 21.346 1.00 0.25 C ATOM 1320 CD1 TYR A 79 21.357 34.237 20.675 1.00 52.22 C ATOM 1321 CD2 TYR A 79 20.303 35.126 22.619 1.00 5.15 C ATOM 1322 CE1 TYR A 79 22.597 34.430 21.253 1.00 51.05 C ATOM 1323 CE2 TYR A 79 21.539 35.324 23.204 1.00 22.23 C ATOM 1324 CZ TYR A 79 22.683 34.974 22.517 1.00 12.01 C ATOM 1325 OH TYR A 79 23.916 35.168 23.097 1.00 53.12 O ATOM 0 H TYR A 79 19.663 32.421 19.398 1.00 22.13 H new ATOM 0 HA TYR A 79 18.355 32.675 21.945 1.00 71.12 H new ATOM 0 HB2 TYR A 79 18.904 34.587 19.645 1.00 43.40 H new ATOM 0 HB3 TYR A 79 18.127 35.077 21.136 1.00 43.40 H new ATOM 0 HD1 TYR A 79 21.294 33.811 19.684 1.00 52.22 H new ATOM 0 HD2 TYR A 79 19.410 35.400 23.161 1.00 5.15 H new ATOM 0 HE1 TYR A 79 23.494 34.156 20.718 1.00 51.05 H new ATOM 0 HE2 TYR A 79 21.609 35.750 24.194 1.00 22.23 H new ATOM 0 HH TYR A 79 23.801 35.561 23.987 1.00 53.12 H new ATOM 1335 N LYS A 80 16.589 32.482 19.228 1.00 1.45 N ATOM 1336 CA LYS A 80 15.234 32.385 18.699 1.00 62.52 C ATOM 1337 C LYS A 80 14.634 31.013 18.989 1.00 22.53 C ATOM 1338 O LYS A 80 13.599 30.903 19.647 1.00 22.41 O ATOM 1339 CB LYS A 80 15.234 32.644 17.191 1.00 62.15 C ATOM 1340 CG LYS A 80 15.770 34.013 16.809 1.00 72.02 C ATOM 1341 CD LYS A 80 16.919 33.906 15.821 1.00 43.42 C ATOM 1342 CE LYS A 80 16.838 34.986 14.752 1.00 11.05 C ATOM 1343 NZ LYS A 80 16.706 34.406 13.387 1.00 11.41 N ATOM 0 H LYS A 80 17.319 32.207 18.571 1.00 1.45 H new ATOM 0 HA LYS A 80 14.623 33.141 19.192 1.00 62.52 H new ATOM 0 HB2 LYS A 80 15.834 31.878 16.699 1.00 62.15 H new ATOM 0 HB3 LYS A 80 14.216 32.543 16.813 1.00 62.15 H new ATOM 0 HG2 LYS A 80 14.969 34.610 16.373 1.00 72.02 H new ATOM 0 HG3 LYS A 80 16.106 34.536 17.704 1.00 72.02 H new ATOM 0 HD2 LYS A 80 17.867 33.990 16.353 1.00 43.42 H new ATOM 0 HD3 LYS A 80 16.904 32.924 15.349 1.00 43.42 H new ATOM 0 HE2 LYS A 80 15.986 35.635 14.955 1.00 11.05 H new ATOM 0 HE3 LYS A 80 17.731 35.609 14.797 1.00 11.05 H new ATOM 0 HZ1 LYS A 80 16.535 35.169 12.701 1.00 11.41 H new ATOM 0 HZ2 LYS A 80 17.582 33.905 13.137 1.00 11.41 H new ATOM 0 HZ3 LYS A 80 15.908 33.739 13.369 1.00 11.41 H new ATOM 1357 N LYS A 81 15.291 29.968 18.496 1.00 0.12 N ATOM 1358 CA LYS A 81 14.825 28.602 18.705 1.00 52.43 C ATOM 1359 C LYS A 81 15.656 27.901 19.774 1.00 11.13 C ATOM 1360 O LYS A 81 16.455 28.533 20.466 1.00 32.42 O ATOM 1361 CB LYS A 81 14.890 27.814 17.395 1.00 72.22 C ATOM 1362 CG LYS A 81 14.217 28.516 16.228 1.00 34.12 C ATOM 1363 CD LYS A 81 13.137 27.648 15.603 1.00 41.30 C ATOM 1364 CE LYS A 81 12.104 28.488 14.868 1.00 74.12 C ATOM 1365 NZ LYS A 81 10.854 27.722 14.602 1.00 3.21 N ATOM 0 H LYS A 81 16.148 30.041 17.949 1.00 0.12 H new ATOM 0 HA LYS A 81 13.790 28.645 19.045 1.00 52.43 H new ATOM 0 HB2 LYS A 81 15.934 27.629 17.143 1.00 72.22 H new ATOM 0 HB3 LYS A 81 14.421 26.841 17.542 1.00 72.22 H new ATOM 0 HG2 LYS A 81 13.779 29.454 16.570 1.00 34.12 H new ATOM 0 HG3 LYS A 81 14.963 28.769 15.475 1.00 34.12 H new ATOM 0 HD2 LYS A 81 13.593 26.941 14.910 1.00 41.30 H new ATOM 0 HD3 LYS A 81 12.645 27.062 16.379 1.00 41.30 H new ATOM 0 HE2 LYS A 81 11.869 29.373 15.459 1.00 74.12 H new ATOM 0 HE3 LYS A 81 12.524 28.837 13.925 1.00 74.12 H new ATOM 0 HZ1 LYS A 81 10.175 28.329 14.100 1.00 3.21 H new ATOM 0 HZ2 LYS A 81 11.074 26.891 14.017 1.00 3.21 H new ATOM 0 HZ3 LYS A 81 10.439 27.411 15.503 1.00 3.21 H new ATOM 1379 N ASP A 82 15.464 26.593 19.903 1.00 15.13 N ATOM 1380 CA ASP A 82 16.198 25.806 20.887 1.00 74.41 C ATOM 1381 C ASP A 82 17.699 26.041 20.760 1.00 25.11 C ATOM 1382 O ASP A 82 18.162 26.652 19.797 1.00 30.04 O ATOM 1383 CB ASP A 82 15.886 24.318 20.716 1.00 33.03 C ATOM 1384 CG ASP A 82 14.610 23.909 21.425 1.00 34.12 C ATOM 1385 OD1 ASP A 82 14.450 24.264 22.612 1.00 53.20 O ATOM 1386 OD2 ASP A 82 13.770 23.234 20.793 1.00 3.41 O ATOM 0 H ASP A 82 14.806 26.055 19.339 1.00 15.13 H new ATOM 0 HA ASP A 82 15.881 26.124 21.880 1.00 74.41 H new ATOM 0 HB2 ASP A 82 15.798 24.088 19.654 1.00 33.03 H new ATOM 0 HB3 ASP A 82 16.718 23.729 21.102 1.00 33.03 H new ATOM 1391 N GLU A 83 18.455 25.552 21.739 1.00 13.51 N ATOM 1392 CA GLU A 83 19.904 25.712 21.737 1.00 62.12 C ATOM 1393 C GLU A 83 20.556 24.750 20.748 1.00 72.22 C ATOM 1394 O GLU A 83 19.916 23.817 20.260 1.00 4.22 O ATOM 1395 CB GLU A 83 20.467 25.477 23.140 1.00 5.30 C ATOM 1396 CG GLU A 83 20.173 24.092 23.690 1.00 13.15 C ATOM 1397 CD GLU A 83 21.309 23.545 24.532 1.00 30.13 C ATOM 1398 OE1 GLU A 83 22.481 23.752 24.153 1.00 53.02 O ATOM 1399 OE2 GLU A 83 21.027 22.910 25.570 1.00 61.34 O ATOM 0 H GLU A 83 18.088 25.042 22.543 1.00 13.51 H new ATOM 0 HA GLU A 83 20.131 26.732 21.428 1.00 62.12 H new ATOM 0 HB2 GLU A 83 21.546 25.629 23.119 1.00 5.30 H new ATOM 0 HB3 GLU A 83 20.053 26.223 23.818 1.00 5.30 H new ATOM 0 HG2 GLU A 83 19.265 24.130 24.292 1.00 13.15 H new ATOM 0 HG3 GLU A 83 19.979 23.410 22.862 1.00 13.15 H new ATOM 1406 N ILE A 84 21.831 24.984 20.456 1.00 31.15 N ATOM 1407 CA ILE A 84 22.569 24.138 19.527 1.00 42.54 C ATOM 1408 C ILE A 84 23.977 23.854 20.040 1.00 15.55 C ATOM 1409 O ILE A 84 24.951 24.447 19.575 1.00 52.21 O ATOM 1410 CB ILE A 84 22.665 24.785 18.132 1.00 12.11 C ATOM 1411 CG1 ILE A 84 21.271 25.154 17.620 1.00 11.14 C ATOM 1412 CG2 ILE A 84 23.361 23.845 17.159 1.00 54.20 C ATOM 1413 CD1 ILE A 84 20.372 23.958 17.398 1.00 25.41 C ATOM 0 H ILE A 84 22.374 25.752 20.849 1.00 31.15 H new ATOM 0 HA ILE A 84 22.018 23.201 19.448 1.00 42.54 H new ATOM 0 HB ILE A 84 23.256 25.698 18.211 1.00 12.11 H new ATOM 0 HG12 ILE A 84 20.797 25.827 18.335 1.00 11.14 H new ATOM 0 HG13 ILE A 84 21.370 25.702 16.683 1.00 11.14 H new ATOM 0 HG21 ILE A 84 23.421 24.316 16.178 1.00 54.20 H new ATOM 0 HG22 ILE A 84 24.366 23.628 17.519 1.00 54.20 H new ATOM 0 HG23 ILE A 84 22.795 22.917 17.082 1.00 54.20 H new ATOM 0 HD11 ILE A 84 19.401 24.295 17.035 1.00 25.41 H new ATOM 0 HD12 ILE A 84 20.824 23.295 16.661 1.00 25.41 H new ATOM 0 HD13 ILE A 84 20.242 23.421 18.338 1.00 25.41 H new ATOM 1425 N LEU A 85 24.077 22.943 21.002 1.00 55.12 N ATOM 1426 CA LEU A 85 25.366 22.578 21.579 1.00 73.13 C ATOM 1427 C LEU A 85 25.447 21.074 21.823 1.00 53.43 C ATOM 1428 O LEU A 85 24.764 20.541 22.696 1.00 74.51 O ATOM 1429 CB LEU A 85 25.592 23.332 22.890 1.00 33.13 C ATOM 1430 CG LEU A 85 27.043 23.684 23.220 1.00 15.35 C ATOM 1431 CD1 LEU A 85 27.543 24.795 22.309 1.00 32.45 C ATOM 1432 CD2 LEU A 85 27.173 24.091 24.681 1.00 24.31 C ATOM 0 H LEU A 85 23.281 22.444 21.399 1.00 55.12 H new ATOM 0 HA LEU A 85 26.146 22.855 20.869 1.00 73.13 H new ATOM 0 HB2 LEU A 85 25.013 24.255 22.859 1.00 33.13 H new ATOM 0 HB3 LEU A 85 25.190 22.731 23.706 1.00 33.13 H new ATOM 0 HG LEU A 85 27.659 22.800 23.053 1.00 15.35 H new ATOM 0 HD11 LEU A 85 28.577 25.032 22.558 1.00 32.45 H new ATOM 0 HD12 LEU A 85 27.486 24.468 21.271 1.00 32.45 H new ATOM 0 HD13 LEU A 85 26.925 25.682 22.444 1.00 32.45 H new ATOM 0 HD21 LEU A 85 28.212 24.338 24.899 1.00 24.31 H new ATOM 0 HD22 LEU A 85 26.545 24.961 24.874 1.00 24.31 H new ATOM 0 HD23 LEU A 85 26.855 23.266 25.318 1.00 24.31 H new ATOM 1444 N GLU A 86 26.288 20.398 21.046 1.00 10.44 N ATOM 1445 CA GLU A 86 26.459 18.956 21.180 1.00 12.51 C ATOM 1446 C GLU A 86 25.111 18.243 21.141 1.00 75.15 C ATOM 1447 O GLU A 86 24.796 17.437 22.016 1.00 42.43 O ATOM 1448 CB GLU A 86 27.185 18.625 22.486 1.00 42.55 C ATOM 1449 CG GLU A 86 28.693 18.798 22.404 1.00 74.01 C ATOM 1450 CD GLU A 86 29.364 18.713 23.761 1.00 51.11 C ATOM 1451 OE1 GLU A 86 29.466 17.592 24.303 1.00 52.34 O ATOM 1452 OE2 GLU A 86 29.787 19.766 24.281 1.00 12.52 O ATOM 0 H GLU A 86 26.861 20.825 20.318 1.00 10.44 H new ATOM 0 HA GLU A 86 27.060 18.608 20.340 1.00 12.51 H new ATOM 0 HB2 GLU A 86 26.797 19.263 23.280 1.00 42.55 H new ATOM 0 HB3 GLU A 86 26.960 17.596 22.766 1.00 42.55 H new ATOM 0 HG2 GLU A 86 29.108 18.032 21.749 1.00 74.01 H new ATOM 0 HG3 GLU A 86 28.920 19.763 21.950 1.00 74.01 H new ATOM 1459 N GLY A 87 24.317 18.546 20.118 1.00 72.03 N ATOM 1460 CA GLY A 87 23.011 17.926 19.983 1.00 45.34 C ATOM 1461 C GLY A 87 23.053 16.664 19.145 1.00 71.21 C ATOM 1462 O GLY A 87 22.492 15.638 19.529 1.00 13.30 O ATOM 0 H GLY A 87 24.555 19.209 19.381 1.00 72.03 H new ATOM 0 HA2 GLY A 87 22.621 17.689 20.973 1.00 45.34 H new ATOM 0 HA3 GLY A 87 22.320 18.637 19.530 1.00 45.34 H new ATOM 1466 N GLU A 88 23.718 16.739 17.996 1.00 20.03 N ATOM 1467 CA GLU A 88 23.827 15.593 17.101 1.00 25.03 C ATOM 1468 C GLU A 88 24.327 14.362 17.852 1.00 30.01 C ATOM 1469 O GLU A 88 24.970 14.460 18.897 1.00 24.22 O ATOM 1470 CB GLU A 88 24.771 15.913 15.940 1.00 52.12 C ATOM 1471 CG GLU A 88 26.046 16.620 16.368 1.00 31.43 C ATOM 1472 CD GLU A 88 26.067 18.081 15.965 1.00 51.15 C ATOM 1473 OE1 GLU A 88 25.162 18.828 16.391 1.00 52.11 O ATOM 1474 OE2 GLU A 88 26.989 18.478 15.222 1.00 65.52 O ATOM 0 H GLU A 88 24.189 17.581 17.664 1.00 20.03 H new ATOM 0 HA GLU A 88 22.835 15.378 16.705 1.00 25.03 H new ATOM 0 HB2 GLU A 88 25.033 14.986 15.430 1.00 52.12 H new ATOM 0 HB3 GLU A 88 24.245 16.536 15.217 1.00 52.12 H new ATOM 0 HG2 GLU A 88 26.153 16.544 17.450 1.00 31.43 H new ATOM 0 HG3 GLU A 88 26.904 16.113 15.926 1.00 31.43 H new ATOM 1481 N PRO A 89 24.024 13.174 17.308 1.00 53.11 N ATOM 1482 CA PRO A 89 24.432 11.901 17.909 1.00 73.21 C ATOM 1483 C PRO A 89 25.936 11.671 17.814 1.00 61.52 C ATOM 1484 O PRO A 89 26.678 12.535 17.348 1.00 4.22 O ATOM 1485 CB PRO A 89 23.678 10.859 17.079 1.00 52.04 C ATOM 1486 CG PRO A 89 23.442 11.520 15.765 1.00 40.34 C ATOM 1487 CD PRO A 89 23.260 12.983 16.064 1.00 72.43 C ATOM 0 HA PRO A 89 24.206 11.862 18.975 1.00 73.21 H new ATOM 0 HB2 PRO A 89 24.263 9.946 16.964 1.00 52.04 H new ATOM 0 HB3 PRO A 89 22.739 10.578 17.555 1.00 52.04 H new ATOM 0 HG2 PRO A 89 24.284 11.361 15.091 1.00 40.34 H new ATOM 0 HG3 PRO A 89 22.560 11.109 15.274 1.00 40.34 H new ATOM 0 HD2 PRO A 89 23.642 13.609 15.257 1.00 72.43 H new ATOM 0 HD3 PRO A 89 22.209 13.239 16.195 1.00 72.43 H new ATOM 1495 N VAL A 90 26.380 10.499 18.258 1.00 60.23 N ATOM 1496 CA VAL A 90 27.796 10.154 18.221 1.00 43.20 C ATOM 1497 C VAL A 90 28.019 8.819 17.520 1.00 31.32 C ATOM 1498 O VAL A 90 27.241 7.881 17.690 1.00 33.35 O ATOM 1499 CB VAL A 90 28.394 10.083 19.639 1.00 54.31 C ATOM 1500 CG1 VAL A 90 29.901 9.892 19.574 1.00 22.34 C ATOM 1501 CG2 VAL A 90 28.040 11.335 20.429 1.00 62.44 C ATOM 0 H VAL A 90 25.779 9.773 18.647 1.00 60.23 H new ATOM 0 HA VAL A 90 28.299 10.943 17.662 1.00 43.20 H new ATOM 0 HB VAL A 90 27.965 9.223 20.153 1.00 54.31 H new ATOM 0 HG11 VAL A 90 30.306 9.844 20.585 1.00 22.34 H new ATOM 0 HG12 VAL A 90 30.128 8.965 19.048 1.00 22.34 H new ATOM 0 HG13 VAL A 90 30.351 10.730 19.042 1.00 22.34 H new ATOM 0 HG21 VAL A 90 28.470 11.268 21.428 1.00 62.44 H new ATOM 0 HG22 VAL A 90 28.440 12.212 19.920 1.00 62.44 H new ATOM 0 HG23 VAL A 90 26.956 11.423 20.506 1.00 62.44 H new ATOM 1511 N GLN A 91 29.087 8.741 16.732 1.00 35.24 N ATOM 1512 CA GLN A 91 29.411 7.519 16.005 1.00 2.43 C ATOM 1513 C GLN A 91 30.815 7.594 15.415 1.00 43.44 C ATOM 1514 O GLN A 91 31.233 8.639 14.916 1.00 61.14 O ATOM 1515 CB GLN A 91 28.390 7.276 14.893 1.00 35.22 C ATOM 1516 CG GLN A 91 28.346 8.384 13.854 1.00 41.14 C ATOM 1517 CD GLN A 91 27.013 8.460 13.137 1.00 74.44 C ATOM 1518 OE1 GLN A 91 26.041 7.820 13.539 1.00 31.44 O ATOM 1519 NE2 GLN A 91 26.959 9.245 12.067 1.00 71.20 N ATOM 0 H GLN A 91 29.742 9.508 16.581 1.00 35.24 H new ATOM 0 HA GLN A 91 29.376 6.687 16.708 1.00 2.43 H new ATOM 0 HB2 GLN A 91 28.623 6.334 14.397 1.00 35.22 H new ATOM 0 HB3 GLN A 91 27.401 7.167 15.337 1.00 35.22 H new ATOM 0 HG2 GLN A 91 28.548 9.339 14.338 1.00 41.14 H new ATOM 0 HG3 GLN A 91 29.139 8.223 13.123 1.00 41.14 H new ATOM 0 HE21 GLN A 91 27.789 9.758 11.768 1.00 71.20 H new ATOM 0 HE22 GLN A 91 26.088 9.335 11.544 1.00 71.20 H new ATOM 1528 N GLN A 92 31.538 6.481 15.475 1.00 31.44 N ATOM 1529 CA GLN A 92 32.896 6.422 14.947 1.00 34.41 C ATOM 1530 C GLN A 92 33.781 7.476 15.602 1.00 0.54 C ATOM 1531 O GLN A 92 33.350 8.185 16.512 1.00 31.21 O ATOM 1532 CB GLN A 92 32.884 6.619 13.430 1.00 2.02 C ATOM 1533 CG GLN A 92 33.334 5.392 12.654 1.00 75.23 C ATOM 1534 CD GLN A 92 34.650 5.606 11.934 1.00 43.51 C ATOM 1535 OE1 GLN A 92 35.700 5.745 12.563 1.00 33.32 O ATOM 1536 NE2 GLN A 92 34.602 5.635 10.607 1.00 3.42 N ATOM 0 H GLN A 92 31.206 5.607 15.884 1.00 31.44 H new ATOM 0 HA GLN A 92 33.306 5.438 15.175 1.00 34.41 H new ATOM 0 HB2 GLN A 92 31.876 6.888 13.115 1.00 2.02 H new ATOM 0 HB3 GLN A 92 33.532 7.458 13.176 1.00 2.02 H new ATOM 0 HG2 GLN A 92 33.432 4.550 13.339 1.00 75.23 H new ATOM 0 HG3 GLN A 92 32.566 5.125 11.928 1.00 75.23 H new ATOM 0 HE21 GLN A 92 33.710 5.515 10.126 1.00 3.42 H new ATOM 0 HE22 GLN A 92 35.457 5.777 10.069 1.00 3.42 H new ATOM 1545 N SER A 93 35.021 7.575 15.134 1.00 21.02 N ATOM 1546 CA SER A 93 35.969 8.541 15.678 1.00 70.43 C ATOM 1547 C SER A 93 36.014 9.801 14.819 1.00 75.32 C ATOM 1548 O SER A 93 36.959 10.583 14.896 1.00 64.02 O ATOM 1549 CB SER A 93 37.365 7.921 15.768 1.00 41.52 C ATOM 1550 OG SER A 93 37.845 7.936 17.101 1.00 14.42 O ATOM 0 H SER A 93 35.393 6.998 14.379 1.00 21.02 H new ATOM 0 HA SER A 93 35.636 8.817 16.679 1.00 70.43 H new ATOM 0 HB2 SER A 93 37.335 6.895 15.401 1.00 41.52 H new ATOM 0 HB3 SER A 93 38.052 8.470 15.125 1.00 41.52 H new ATOM 0 HG SER A 93 38.738 7.533 17.132 1.00 14.42 H new TER 1556 SER A 93