USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= 0.614 K(o=1.6,f=-3.8!) USER MOD Set 1.2: A 81 SER OG : rot 140:sc= 0.976 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 17 SER OG : rot -92:sc= 1.34 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -130:sc= -0.367 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 0.00799 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 90:sc= 0.0727 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -160:sc= 0.117 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -7.27! C(o=-7.3!,f=-14!) USER MOD Single : A 41 SER OG : rot 99:sc= 0.19 USER MOD Single : A 42 SER OG : rot 171:sc= -0.0917 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.92) USER MOD Single : A 56 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.26) USER MOD Single : A 57 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.38) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.36) USER MOD Single : A 80 SER OG : rot 70:sc= -1.05 USER MOD Single : A 85 SER OG : rot -32:sc= -0.212 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -118:sc= 0.168 USER MOD Single : A 90 THR OG1 : rot 30:sc= 0.161 USER MOD Single : A 91 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.253 0.481 0.553 1.00 0.01 N ATOM 2 CA GLY A 1 0.413 1.697 0.125 1.00 54.50 C ATOM 3 C GLY A 1 1.725 1.925 0.848 1.00 43.32 C ATOM 4 O GLY A 1 2.583 1.044 0.881 1.00 44.01 O ATOM 0 H1 GLY A 1 -1.145 0.371 0.029 1.00 0.01 H new ATOM 0 H2 GLY A 1 0.362 -0.336 0.365 1.00 0.01 H new ATOM 0 H3 GLY A 1 -0.454 0.536 1.572 1.00 0.01 H new ATOM 0 HA2 GLY A 1 0.597 1.648 -0.948 1.00 54.50 H new ATOM 0 HA3 GLY A 1 -0.246 2.548 0.297 1.00 54.50 H new ATOM 8 N GLU A 2 1.882 3.112 1.427 1.00 64.34 N ATOM 9 CA GLU A 2 3.102 3.453 2.150 1.00 72.41 C ATOM 10 C GLU A 2 4.331 3.256 1.267 1.00 31.42 C ATOM 11 O GLU A 2 5.259 2.531 1.628 1.00 72.05 O ATOM 12 CB GLU A 2 3.226 2.600 3.414 1.00 5.24 C ATOM 13 CG GLU A 2 2.324 3.057 4.548 1.00 53.21 C ATOM 14 CD GLU A 2 2.949 2.847 5.913 1.00 23.51 C ATOM 15 OE1 GLU A 2 3.549 1.774 6.132 1.00 21.43 O ATOM 16 OE2 GLU A 2 2.839 3.756 6.762 1.00 31.22 O ATOM 0 H GLU A 2 1.181 3.852 1.409 1.00 64.34 H new ATOM 0 HA GLU A 2 3.045 4.504 2.433 1.00 72.41 H new ATOM 0 HB2 GLU A 2 2.990 1.565 3.168 1.00 5.24 H new ATOM 0 HB3 GLU A 2 4.261 2.619 3.755 1.00 5.24 H new ATOM 0 HG2 GLU A 2 2.091 4.114 4.418 1.00 53.21 H new ATOM 0 HG3 GLU A 2 1.380 2.514 4.498 1.00 53.21 H new ATOM 23 N LYS A 3 4.330 3.905 0.108 1.00 0.43 N ATOM 24 CA LYS A 3 5.444 3.804 -0.827 1.00 72.23 C ATOM 25 C LYS A 3 6.554 4.784 -0.460 1.00 72.52 C ATOM 26 O LYS A 3 6.403 5.996 -0.614 1.00 15.00 O ATOM 27 CB LYS A 3 4.963 4.073 -2.255 1.00 63.32 C ATOM 28 CG LYS A 3 4.115 2.953 -2.833 1.00 25.43 C ATOM 29 CD LYS A 3 3.199 3.458 -3.934 1.00 14.21 C ATOM 30 CE LYS A 3 1.793 2.895 -3.791 1.00 51.31 C ATOM 31 NZ LYS A 3 0.973 3.134 -5.011 1.00 0.40 N ATOM 0 H LYS A 3 3.569 4.507 -0.207 1.00 0.43 H new ATOM 0 HA LYS A 3 5.844 2.792 -0.769 1.00 72.23 H new ATOM 0 HB2 LYS A 3 4.386 4.997 -2.267 1.00 63.32 H new ATOM 0 HB3 LYS A 3 5.829 4.230 -2.898 1.00 63.32 H new ATOM 0 HG2 LYS A 3 4.764 2.171 -3.228 1.00 25.43 H new ATOM 0 HG3 LYS A 3 3.518 2.501 -2.041 1.00 25.43 H new ATOM 0 HD2 LYS A 3 3.161 4.547 -3.906 1.00 14.21 H new ATOM 0 HD3 LYS A 3 3.607 3.178 -4.905 1.00 14.21 H new ATOM 0 HE2 LYS A 3 1.849 1.824 -3.595 1.00 51.31 H new ATOM 0 HE3 LYS A 3 1.305 3.352 -2.930 1.00 51.31 H new ATOM 0 HZ1 LYS A 3 0.022 2.736 -4.874 1.00 0.40 H new ATOM 0 HZ2 LYS A 3 0.898 4.157 -5.184 1.00 0.40 H new ATOM 0 HZ3 LYS A 3 1.425 2.677 -5.828 1.00 0.40 H new ATOM 45 N THR A 4 7.671 4.250 0.025 1.00 40.52 N ATOM 46 CA THR A 4 8.806 5.077 0.413 1.00 4.53 C ATOM 47 C THR A 4 10.016 4.801 -0.472 1.00 25.35 C ATOM 48 O THR A 4 10.088 3.768 -1.138 1.00 31.13 O ATOM 49 CB THR A 4 9.196 4.842 1.885 1.00 70.52 C ATOM 50 OG1 THR A 4 9.537 3.466 2.087 1.00 71.53 O ATOM 51 CG2 THR A 4 8.056 5.229 2.815 1.00 23.40 C ATOM 0 H THR A 4 7.813 3.249 0.158 1.00 40.52 H new ATOM 0 HA THR A 4 8.497 6.115 0.288 1.00 4.53 H new ATOM 0 HB THR A 4 10.059 5.467 2.114 1.00 70.52 H new ATOM 0 HG1 THR A 4 9.050 3.119 2.863 1.00 71.53 H new ATOM 0 HG21 THR A 4 8.354 5.054 3.849 1.00 23.40 H new ATOM 0 HG22 THR A 4 7.818 6.284 2.679 1.00 23.40 H new ATOM 0 HG23 THR A 4 7.178 4.626 2.584 1.00 23.40 H new ATOM 59 N VAL A 5 10.967 5.730 -0.473 1.00 64.44 N ATOM 60 CA VAL A 5 12.176 5.584 -1.275 1.00 43.44 C ATOM 61 C VAL A 5 13.294 4.930 -0.471 1.00 71.13 C ATOM 62 O VAL A 5 13.683 5.423 0.588 1.00 71.32 O ATOM 63 CB VAL A 5 12.667 6.946 -1.802 1.00 43.01 C ATOM 64 CG1 VAL A 5 11.700 7.498 -2.838 1.00 44.05 C ATOM 65 CG2 VAL A 5 12.848 7.927 -0.654 1.00 2.23 C ATOM 0 H VAL A 5 10.924 6.591 0.072 1.00 64.44 H new ATOM 0 HA VAL A 5 11.920 4.946 -2.121 1.00 43.44 H new ATOM 0 HB VAL A 5 13.634 6.802 -2.283 1.00 43.01 H new ATOM 0 HG11 VAL A 5 12.063 8.460 -3.199 1.00 44.05 H new ATOM 0 HG12 VAL A 5 11.626 6.802 -3.674 1.00 44.05 H new ATOM 0 HG13 VAL A 5 10.717 7.628 -2.385 1.00 44.05 H new ATOM 0 HG21 VAL A 5 13.195 8.884 -1.044 1.00 2.23 H new ATOM 0 HG22 VAL A 5 11.896 8.068 -0.142 1.00 2.23 H new ATOM 0 HG23 VAL A 5 13.583 7.534 0.048 1.00 2.23 H new ATOM 75 N LYS A 6 13.808 3.816 -0.981 1.00 60.15 N ATOM 76 CA LYS A 6 14.883 3.093 -0.313 1.00 22.21 C ATOM 77 C LYS A 6 16.247 3.605 -0.765 1.00 71.14 C ATOM 78 O LYS A 6 16.475 3.825 -1.956 1.00 21.13 O ATOM 79 CB LYS A 6 14.770 1.593 -0.596 1.00 41.11 C ATOM 80 CG LYS A 6 13.348 1.065 -0.517 1.00 62.24 C ATOM 81 CD LYS A 6 12.803 0.724 -1.894 1.00 60.31 C ATOM 82 CE LYS A 6 11.377 0.200 -1.815 1.00 23.22 C ATOM 83 NZ LYS A 6 10.484 0.872 -2.798 1.00 52.13 N ATOM 0 H LYS A 6 13.497 3.394 -1.856 1.00 60.15 H new ATOM 0 HA LYS A 6 14.788 3.262 0.760 1.00 22.21 H new ATOM 0 HB2 LYS A 6 15.170 1.388 -1.589 1.00 41.11 H new ATOM 0 HB3 LYS A 6 15.391 1.050 0.116 1.00 41.11 H new ATOM 0 HG2 LYS A 6 13.323 0.178 0.115 1.00 62.24 H new ATOM 0 HG3 LYS A 6 12.708 1.810 -0.046 1.00 62.24 H new ATOM 0 HD2 LYS A 6 12.831 1.611 -2.527 1.00 60.31 H new ATOM 0 HD3 LYS A 6 13.441 -0.024 -2.364 1.00 60.31 H new ATOM 0 HE2 LYS A 6 11.374 -0.875 -1.997 1.00 23.22 H new ATOM 0 HE3 LYS A 6 10.989 0.353 -0.808 1.00 23.22 H new ATOM 0 HZ1 LYS A 6 9.618 0.310 -2.921 1.00 52.13 H new ATOM 0 HZ2 LYS A 6 10.235 1.820 -2.450 1.00 52.13 H new ATOM 0 HZ3 LYS A 6 10.974 0.956 -3.711 1.00 52.13 H new ATOM 97 N LEU A 7 17.151 3.791 0.190 1.00 14.33 N ATOM 98 CA LEU A 7 18.493 4.276 -0.110 1.00 42.14 C ATOM 99 C LEU A 7 19.520 3.157 0.029 1.00 62.11 C ATOM 100 O LEU A 7 19.605 2.504 1.070 1.00 51.35 O ATOM 101 CB LEU A 7 18.858 5.436 0.817 1.00 15.45 C ATOM 102 CG LEU A 7 17.751 6.458 1.081 1.00 33.01 C ATOM 103 CD1 LEU A 7 18.123 7.359 2.248 1.00 42.52 C ATOM 104 CD2 LEU A 7 17.479 7.284 -0.168 1.00 32.22 C ATOM 0 H LEU A 7 16.979 3.613 1.179 1.00 14.33 H new ATOM 0 HA LEU A 7 18.502 4.627 -1.142 1.00 42.14 H new ATOM 0 HB2 LEU A 7 19.180 5.023 1.773 1.00 15.45 H new ATOM 0 HB3 LEU A 7 19.714 5.959 0.392 1.00 15.45 H new ATOM 0 HG LEU A 7 16.840 5.919 1.341 1.00 33.01 H new ATOM 0 HD11 LEU A 7 17.323 8.079 2.421 1.00 42.52 H new ATOM 0 HD12 LEU A 7 18.266 6.754 3.143 1.00 42.52 H new ATOM 0 HD13 LEU A 7 19.046 7.890 2.018 1.00 42.52 H new ATOM 0 HD21 LEU A 7 16.689 8.006 0.038 1.00 32.22 H new ATOM 0 HD22 LEU A 7 18.387 7.813 -0.459 1.00 32.22 H new ATOM 0 HD23 LEU A 7 17.167 6.626 -0.979 1.00 32.22 H new ATOM 116 N TYR A 8 20.300 2.942 -1.025 1.00 74.10 N ATOM 117 CA TYR A 8 21.321 1.902 -1.021 1.00 22.44 C ATOM 118 C TYR A 8 22.720 2.511 -1.017 1.00 13.41 C ATOM 119 O TYR A 8 23.017 3.413 -1.800 1.00 60.41 O ATOM 120 CB TYR A 8 21.154 0.988 -2.236 1.00 41.21 C ATOM 121 CG TYR A 8 19.972 0.051 -2.131 1.00 64.22 C ATOM 122 CD1 TYR A 8 18.690 0.479 -2.451 1.00 10.10 C ATOM 123 CD2 TYR A 8 20.139 -1.264 -1.713 1.00 52.12 C ATOM 124 CE1 TYR A 8 17.608 -0.374 -2.356 1.00 14.12 C ATOM 125 CE2 TYR A 8 19.062 -2.124 -1.616 1.00 62.35 C ATOM 126 CZ TYR A 8 17.799 -1.675 -1.938 1.00 53.54 C ATOM 127 OH TYR A 8 16.723 -2.528 -1.844 1.00 2.34 O ATOM 0 H TYR A 8 20.244 3.475 -1.893 1.00 74.10 H new ATOM 0 HA TYR A 8 21.198 1.313 -0.112 1.00 22.44 H new ATOM 0 HB2 TYR A 8 21.042 1.602 -3.129 1.00 41.21 H new ATOM 0 HB3 TYR A 8 22.063 0.400 -2.365 1.00 41.21 H new ATOM 0 HD1 TYR A 8 18.537 1.496 -2.780 1.00 10.10 H new ATOM 0 HD2 TYR A 8 21.127 -1.619 -1.460 1.00 52.12 H new ATOM 0 HE1 TYR A 8 16.618 -0.025 -2.608 1.00 14.12 H new ATOM 0 HE2 TYR A 8 19.209 -3.143 -1.290 1.00 62.35 H new ATOM 0 HH TYR A 8 17.028 -3.407 -1.536 1.00 2.34 H new ATOM 137 N GLU A 9 23.574 2.011 -0.129 1.00 51.44 N ATOM 138 CA GLU A 9 24.941 2.507 -0.023 1.00 62.32 C ATOM 139 C GLU A 9 25.815 1.936 -1.137 1.00 34.02 C ATOM 140 O GLU A 9 26.741 2.593 -1.612 1.00 24.33 O ATOM 141 CB GLU A 9 25.534 2.145 1.340 1.00 13.55 C ATOM 142 CG GLU A 9 25.899 0.677 1.476 1.00 74.32 C ATOM 143 CD GLU A 9 25.742 0.165 2.895 1.00 44.14 C ATOM 144 OE1 GLU A 9 25.518 0.993 3.802 1.00 51.51 O ATOM 145 OE2 GLU A 9 25.845 -1.063 3.098 1.00 54.41 O ATOM 0 H GLU A 9 23.344 1.264 0.526 1.00 51.44 H new ATOM 0 HA GLU A 9 24.915 3.592 -0.124 1.00 62.32 H new ATOM 0 HB2 GLU A 9 26.425 2.749 1.511 1.00 13.55 H new ATOM 0 HB3 GLU A 9 24.818 2.406 2.119 1.00 13.55 H new ATOM 0 HG2 GLU A 9 25.270 0.087 0.809 1.00 74.32 H new ATOM 0 HG3 GLU A 9 26.930 0.532 1.153 1.00 74.32 H new ATOM 152 N ASP A 10 25.512 0.709 -1.548 1.00 2.52 N ATOM 153 CA ASP A 10 26.269 0.049 -2.606 1.00 15.35 C ATOM 154 C ASP A 10 25.404 -0.154 -3.846 1.00 42.51 C ATOM 155 O ASP A 10 24.287 -0.664 -3.761 1.00 73.04 O ATOM 156 CB ASP A 10 26.803 -1.297 -2.115 1.00 60.33 C ATOM 157 CG ASP A 10 28.318 -1.359 -2.130 1.00 13.13 C ATOM 158 OD1 ASP A 10 28.897 -1.474 -3.230 1.00 51.24 O ATOM 159 OD2 ASP A 10 28.924 -1.291 -1.040 1.00 62.34 O ATOM 0 H ASP A 10 24.748 0.152 -1.165 1.00 2.52 H new ATOM 0 HA ASP A 10 27.110 0.689 -2.873 1.00 15.35 H new ATOM 0 HB2 ASP A 10 26.445 -1.479 -1.102 1.00 60.33 H new ATOM 0 HB3 ASP A 10 26.403 -2.094 -2.742 1.00 60.33 H new ATOM 164 N THR A 11 25.928 0.251 -4.999 1.00 64.20 N ATOM 165 CA THR A 11 25.205 0.116 -6.257 1.00 34.22 C ATOM 166 C THR A 11 24.820 -1.336 -6.517 1.00 32.24 C ATOM 167 O THR A 11 25.437 -2.258 -5.982 1.00 44.22 O ATOM 168 CB THR A 11 26.039 0.634 -7.443 1.00 52.24 C ATOM 169 OG1 THR A 11 25.409 0.276 -8.679 1.00 22.55 O ATOM 170 CG2 THR A 11 27.449 0.065 -7.403 1.00 50.11 C ATOM 0 H THR A 11 26.851 0.675 -5.087 1.00 64.20 H new ATOM 0 HA THR A 11 24.301 0.718 -6.168 1.00 34.22 H new ATOM 0 HB THR A 11 26.100 1.720 -7.368 1.00 52.24 H new ATOM 0 HG1 THR A 11 24.794 0.989 -8.951 1.00 22.55 H new ATOM 0 HG21 THR A 11 28.019 0.445 -8.251 1.00 50.11 H new ATOM 0 HG22 THR A 11 27.936 0.364 -6.475 1.00 50.11 H new ATOM 0 HG23 THR A 11 27.404 -1.023 -7.455 1.00 50.11 H new ATOM 178 N HIS A 12 23.796 -1.534 -7.341 1.00 41.21 N ATOM 179 CA HIS A 12 23.330 -2.875 -7.673 1.00 73.40 C ATOM 180 C HIS A 12 22.805 -3.591 -6.432 1.00 11.32 C ATOM 181 O HIS A 12 22.783 -4.820 -6.374 1.00 72.42 O ATOM 182 CB HIS A 12 24.459 -3.689 -8.305 1.00 64.03 C ATOM 183 CG HIS A 12 23.992 -4.643 -9.361 1.00 30.53 C ATOM 184 ND1 HIS A 12 24.049 -6.013 -9.215 1.00 31.51 N ATOM 185 CD2 HIS A 12 23.456 -4.419 -10.583 1.00 14.41 C ATOM 186 CE1 HIS A 12 23.569 -6.590 -10.302 1.00 63.05 C ATOM 187 NE2 HIS A 12 23.202 -5.644 -11.148 1.00 71.10 N ATOM 0 H HIS A 12 23.273 -0.783 -7.791 1.00 41.21 H new ATOM 0 HA HIS A 12 22.514 -2.781 -8.390 1.00 73.40 H new ATOM 0 HB2 HIS A 12 25.188 -3.006 -8.741 1.00 64.03 H new ATOM 0 HB3 HIS A 12 24.974 -4.248 -7.524 1.00 64.03 H new ATOM 0 HD2 HIS A 12 23.264 -3.455 -11.031 1.00 14.41 H new ATOM 0 HE1 HIS A 12 23.490 -7.654 -10.470 1.00 63.05 H new ATOM 0 HE2 HIS A 12 22.796 -5.799 -12.071 1.00 71.10 H new ATOM 195 N PHE A 13 22.384 -2.813 -5.440 1.00 52.32 N ATOM 196 CA PHE A 13 21.861 -3.372 -4.199 1.00 53.11 C ATOM 197 C PHE A 13 22.831 -4.392 -3.611 1.00 31.12 C ATOM 198 O PHE A 13 22.451 -5.522 -3.302 1.00 51.22 O ATOM 199 CB PHE A 13 20.500 -4.027 -4.444 1.00 20.42 C ATOM 200 CG PHE A 13 19.584 -3.205 -5.305 1.00 4.25 C ATOM 201 CD1 PHE A 13 19.456 -1.841 -5.096 1.00 50.12 C ATOM 202 CD2 PHE A 13 18.853 -3.795 -6.322 1.00 74.02 C ATOM 203 CE1 PHE A 13 18.614 -1.082 -5.886 1.00 55.13 C ATOM 204 CE2 PHE A 13 18.009 -3.041 -7.116 1.00 12.01 C ATOM 205 CZ PHE A 13 17.890 -1.682 -6.898 1.00 60.42 C ATOM 0 H PHE A 13 22.395 -1.794 -5.472 1.00 52.32 H new ATOM 0 HA PHE A 13 21.741 -2.558 -3.485 1.00 53.11 H new ATOM 0 HB2 PHE A 13 20.653 -4.998 -4.914 1.00 20.42 H new ATOM 0 HB3 PHE A 13 20.016 -4.210 -3.485 1.00 20.42 H new ATOM 0 HD1 PHE A 13 20.020 -1.366 -4.307 1.00 50.12 H new ATOM 0 HD2 PHE A 13 18.943 -4.857 -6.497 1.00 74.02 H new ATOM 0 HE1 PHE A 13 18.522 -0.020 -5.712 1.00 55.13 H new ATOM 0 HE2 PHE A 13 17.444 -3.514 -7.905 1.00 12.01 H new ATOM 0 HZ PHE A 13 17.232 -1.090 -7.517 1.00 60.42 H new ATOM 215 N LYS A 14 24.087 -3.986 -3.459 1.00 12.24 N ATOM 216 CA LYS A 14 25.113 -4.862 -2.907 1.00 65.10 C ATOM 217 C LYS A 14 25.249 -4.661 -1.401 1.00 52.11 C ATOM 218 O LYS A 14 25.590 -5.589 -0.669 1.00 74.23 O ATOM 219 CB LYS A 14 26.458 -4.600 -3.590 1.00 54.02 C ATOM 220 CG LYS A 14 26.853 -5.675 -4.587 1.00 60.33 C ATOM 221 CD LYS A 14 27.536 -6.847 -3.902 1.00 71.12 C ATOM 222 CE LYS A 14 26.558 -7.979 -3.627 1.00 71.02 C ATOM 223 NZ LYS A 14 27.021 -9.267 -4.213 1.00 63.22 N ATOM 0 H LYS A 14 24.419 -3.055 -3.711 1.00 12.24 H new ATOM 0 HA LYS A 14 24.812 -5.893 -3.092 1.00 65.10 H new ATOM 0 HB2 LYS A 14 26.415 -3.639 -4.103 1.00 54.02 H new ATOM 0 HB3 LYS A 14 27.233 -4.520 -2.828 1.00 54.02 H new ATOM 0 HG2 LYS A 14 25.966 -6.027 -5.114 1.00 60.33 H new ATOM 0 HG3 LYS A 14 27.521 -5.250 -5.336 1.00 60.33 H new ATOM 0 HD2 LYS A 14 28.350 -7.212 -4.529 1.00 71.12 H new ATOM 0 HD3 LYS A 14 27.981 -6.513 -2.964 1.00 71.12 H new ATOM 0 HE2 LYS A 14 26.430 -8.095 -2.551 1.00 71.02 H new ATOM 0 HE3 LYS A 14 25.582 -7.723 -4.038 1.00 71.02 H new ATOM 0 HZ1 LYS A 14 26.327 -10.013 -4.004 1.00 63.22 H new ATOM 0 HZ2 LYS A 14 27.119 -9.164 -5.243 1.00 63.22 H new ATOM 0 HZ3 LYS A 14 27.941 -9.525 -3.802 1.00 63.22 H new ATOM 237 N GLY A 15 24.978 -3.442 -0.944 1.00 50.25 N ATOM 238 CA GLY A 15 25.074 -3.142 0.472 1.00 1.02 C ATOM 239 C GLY A 15 23.730 -3.201 1.170 1.00 73.41 C ATOM 240 O GLY A 15 22.871 -4.007 0.811 1.00 60.34 O ATOM 0 H GLY A 15 24.694 -2.657 -1.530 1.00 50.25 H new ATOM 0 HA2 GLY A 15 25.756 -3.849 0.944 1.00 1.02 H new ATOM 0 HA3 GLY A 15 25.504 -2.149 0.601 1.00 1.02 H new ATOM 244 N TYR A 16 23.546 -2.348 2.171 1.00 44.42 N ATOM 245 CA TYR A 16 22.298 -2.309 2.924 1.00 62.04 C ATOM 246 C TYR A 16 21.292 -1.372 2.262 1.00 32.41 C ATOM 247 O TYR A 16 21.592 -0.733 1.254 1.00 14.31 O ATOM 248 CB TYR A 16 22.560 -1.861 4.362 1.00 13.34 C ATOM 249 CG TYR A 16 21.653 -2.521 5.377 1.00 51.45 C ATOM 250 CD1 TYR A 16 21.753 -3.880 5.647 1.00 53.33 C ATOM 251 CD2 TYR A 16 20.697 -1.784 6.065 1.00 33.23 C ATOM 252 CE1 TYR A 16 20.926 -4.487 6.572 1.00 54.42 C ATOM 253 CE2 TYR A 16 19.866 -2.383 6.993 1.00 4.53 C ATOM 254 CZ TYR A 16 19.984 -3.734 7.243 1.00 44.04 C ATOM 255 OH TYR A 16 19.160 -4.335 8.166 1.00 14.40 O ATOM 0 H TYR A 16 24.246 -1.673 2.480 1.00 44.42 H new ATOM 0 HA TYR A 16 21.878 -3.315 2.935 1.00 62.04 H new ATOM 0 HB2 TYR A 16 23.597 -2.078 4.618 1.00 13.34 H new ATOM 0 HB3 TYR A 16 22.436 -0.780 4.425 1.00 13.34 H new ATOM 0 HD1 TYR A 16 22.490 -4.472 5.125 1.00 53.33 H new ATOM 0 HD2 TYR A 16 20.602 -0.726 5.872 1.00 33.23 H new ATOM 0 HE1 TYR A 16 21.016 -5.545 6.769 1.00 54.42 H new ATOM 0 HE2 TYR A 16 19.128 -1.796 7.520 1.00 4.53 H new ATOM 0 HH TYR A 16 18.555 -3.666 8.549 1.00 14.40 H new ATOM 265 N SER A 17 20.096 -1.297 2.838 1.00 22.20 N ATOM 266 CA SER A 17 19.043 -0.442 2.304 1.00 50.30 C ATOM 267 C SER A 17 18.274 0.241 3.431 1.00 73.20 C ATOM 268 O SER A 17 18.024 -0.356 4.478 1.00 24.14 O ATOM 269 CB SER A 17 18.083 -1.259 1.438 1.00 72.30 C ATOM 270 OG SER A 17 18.587 -2.564 1.210 1.00 34.13 O ATOM 0 H SER A 17 19.833 -1.818 3.674 1.00 22.20 H new ATOM 0 HA SER A 17 19.511 0.327 1.689 1.00 50.30 H new ATOM 0 HB2 SER A 17 17.111 -1.321 1.927 1.00 72.30 H new ATOM 0 HB3 SER A 17 17.929 -0.754 0.485 1.00 72.30 H new ATOM 0 HG SER A 17 19.109 -2.573 0.381 1.00 34.13 H new ATOM 276 N VAL A 18 17.900 1.497 3.208 1.00 70.21 N ATOM 277 CA VAL A 18 17.158 2.262 4.203 1.00 61.11 C ATOM 278 C VAL A 18 16.110 3.151 3.543 1.00 1.01 C ATOM 279 O VAL A 18 16.444 4.084 2.814 1.00 64.14 O ATOM 280 CB VAL A 18 18.098 3.138 5.052 1.00 12.22 C ATOM 281 CG1 VAL A 18 18.975 4.002 4.159 1.00 53.41 C ATOM 282 CG2 VAL A 18 17.296 3.997 6.018 1.00 1.32 C ATOM 0 H VAL A 18 18.099 2.006 2.347 1.00 70.21 H new ATOM 0 HA VAL A 18 16.661 1.541 4.852 1.00 61.11 H new ATOM 0 HB VAL A 18 18.748 2.485 5.635 1.00 12.22 H new ATOM 0 HG11 VAL A 18 19.632 4.614 4.777 1.00 53.41 H new ATOM 0 HG12 VAL A 18 19.576 3.363 3.512 1.00 53.41 H new ATOM 0 HG13 VAL A 18 18.346 4.649 3.547 1.00 53.41 H new ATOM 0 HG21 VAL A 18 17.976 4.610 6.610 1.00 1.32 H new ATOM 0 HG22 VAL A 18 16.621 4.643 5.456 1.00 1.32 H new ATOM 0 HG23 VAL A 18 16.716 3.355 6.681 1.00 1.32 H new ATOM 292 N GLU A 19 14.841 2.855 3.805 1.00 11.13 N ATOM 293 CA GLU A 19 13.744 3.628 3.236 1.00 55.40 C ATOM 294 C GLU A 19 13.003 4.403 4.322 1.00 0.32 C ATOM 295 O GLU A 19 12.899 3.950 5.463 1.00 72.12 O ATOM 296 CB GLU A 19 12.770 2.707 2.498 1.00 42.12 C ATOM 297 CG GLU A 19 11.875 1.901 3.423 1.00 32.33 C ATOM 298 CD GLU A 19 11.431 0.588 2.808 1.00 60.22 C ATOM 299 OE1 GLU A 19 10.742 0.623 1.767 1.00 64.42 O ATOM 300 OE2 GLU A 19 11.773 -0.475 3.368 1.00 43.22 O ATOM 0 H GLU A 19 14.548 2.086 4.407 1.00 11.13 H new ATOM 0 HA GLU A 19 14.166 4.341 2.528 1.00 55.40 H new ATOM 0 HB2 GLU A 19 12.147 3.308 1.836 1.00 42.12 H new ATOM 0 HB3 GLU A 19 13.337 2.022 1.868 1.00 42.12 H new ATOM 0 HG2 GLU A 19 12.407 1.701 4.353 1.00 32.33 H new ATOM 0 HG3 GLU A 19 10.997 2.493 3.679 1.00 32.33 H new ATOM 307 N LEU A 20 12.491 5.574 3.960 1.00 11.33 N ATOM 308 CA LEU A 20 11.760 6.414 4.903 1.00 31.12 C ATOM 309 C LEU A 20 10.651 7.187 4.197 1.00 13.23 C ATOM 310 O LEU A 20 10.762 7.551 3.026 1.00 4.35 O ATOM 311 CB LEU A 20 12.715 7.388 5.596 1.00 71.32 C ATOM 312 CG LEU A 20 14.072 7.591 4.921 1.00 10.12 C ATOM 313 CD1 LEU A 20 14.639 8.960 5.264 1.00 13.00 C ATOM 314 CD2 LEU A 20 15.042 6.492 5.332 1.00 54.35 C ATOM 0 H LEU A 20 12.568 5.964 3.021 1.00 11.33 H new ATOM 0 HA LEU A 20 11.306 5.766 5.652 1.00 31.12 H new ATOM 0 HB2 LEU A 20 12.221 8.357 5.673 1.00 71.32 H new ATOM 0 HB3 LEU A 20 12.887 7.036 6.613 1.00 71.32 H new ATOM 0 HG LEU A 20 13.931 7.539 3.841 1.00 10.12 H new ATOM 0 HD11 LEU A 20 15.605 9.087 4.775 1.00 13.00 H new ATOM 0 HD12 LEU A 20 13.954 9.734 4.920 1.00 13.00 H new ATOM 0 HD13 LEU A 20 14.766 9.041 6.344 1.00 13.00 H new ATOM 0 HD21 LEU A 20 16.002 6.652 4.842 1.00 54.35 H new ATOM 0 HD22 LEU A 20 15.178 6.513 6.413 1.00 54.35 H new ATOM 0 HD23 LEU A 20 14.641 5.523 5.035 1.00 54.35 H new ATOM 326 N PRO A 21 9.554 7.447 4.925 1.00 24.21 N ATOM 327 CA PRO A 21 8.405 8.182 4.390 1.00 73.01 C ATOM 328 C PRO A 21 8.717 9.656 4.155 1.00 23.13 C ATOM 329 O PRO A 21 9.770 10.149 4.559 1.00 4.50 O ATOM 330 CB PRO A 21 7.345 8.028 5.483 1.00 33.44 C ATOM 331 CG PRO A 21 8.121 7.803 6.735 1.00 62.13 C ATOM 332 CD PRO A 21 9.353 7.043 6.327 1.00 70.01 C ATOM 0 HA PRO A 21 8.094 7.799 3.418 1.00 73.01 H new ATOM 0 HB2 PRO A 21 6.722 8.919 5.558 1.00 33.44 H new ATOM 0 HB3 PRO A 21 6.680 7.190 5.274 1.00 33.44 H new ATOM 0 HG2 PRO A 21 8.385 8.750 7.206 1.00 62.13 H new ATOM 0 HG3 PRO A 21 7.536 7.238 7.461 1.00 62.13 H new ATOM 0 HD2 PRO A 21 10.210 7.304 6.947 1.00 70.01 H new ATOM 0 HD3 PRO A 21 9.210 5.966 6.418 1.00 70.01 H new ATOM 340 N VAL A 22 7.795 10.355 3.500 1.00 25.25 N ATOM 341 CA VAL A 22 7.972 11.773 3.214 1.00 43.34 C ATOM 342 C VAL A 22 8.678 12.483 4.364 1.00 71.23 C ATOM 343 O VAL A 22 8.469 12.155 5.531 1.00 64.51 O ATOM 344 CB VAL A 22 6.622 12.465 2.949 1.00 13.14 C ATOM 345 CG1 VAL A 22 5.670 12.240 4.114 1.00 14.31 C ATOM 346 CG2 VAL A 22 6.825 13.951 2.696 1.00 44.13 C ATOM 0 H VAL A 22 6.918 9.962 3.158 1.00 25.25 H new ATOM 0 HA VAL A 22 8.588 11.840 2.317 1.00 43.34 H new ATOM 0 HB VAL A 22 6.177 12.026 2.056 1.00 13.14 H new ATOM 0 HG11 VAL A 22 4.721 12.736 3.910 1.00 14.31 H new ATOM 0 HG12 VAL A 22 5.500 11.171 4.244 1.00 14.31 H new ATOM 0 HG13 VAL A 22 6.106 12.651 5.025 1.00 14.31 H new ATOM 0 HG21 VAL A 22 5.860 14.424 2.511 1.00 44.13 H new ATOM 0 HG22 VAL A 22 7.291 14.408 3.569 1.00 44.13 H new ATOM 0 HG23 VAL A 22 7.469 14.088 1.827 1.00 44.13 H new ATOM 356 N GLY A 23 9.515 13.459 4.025 1.00 12.25 N ATOM 357 CA GLY A 23 10.239 14.201 5.041 1.00 32.23 C ATOM 358 C GLY A 23 11.571 14.723 4.539 1.00 35.44 C ATOM 359 O GLY A 23 11.834 14.717 3.337 1.00 73.02 O ATOM 0 H GLY A 23 9.705 13.749 3.066 1.00 12.25 H new ATOM 0 HA2 GLY A 23 9.628 15.038 5.379 1.00 32.23 H new ATOM 0 HA3 GLY A 23 10.406 13.559 5.906 1.00 32.23 H new ATOM 363 N ASP A 24 12.412 15.176 5.462 1.00 52.31 N ATOM 364 CA ASP A 24 13.724 15.705 5.107 1.00 73.14 C ATOM 365 C ASP A 24 14.791 15.207 6.076 1.00 21.20 C ATOM 366 O ASP A 24 14.680 15.395 7.288 1.00 70.13 O ATOM 367 CB ASP A 24 13.696 17.234 5.100 1.00 4.14 C ATOM 368 CG ASP A 24 12.327 17.787 4.757 1.00 2.34 C ATOM 369 OD1 ASP A 24 11.774 17.394 3.709 1.00 54.10 O ATOM 370 OD2 ASP A 24 11.809 18.613 5.538 1.00 73.34 O ATOM 0 H ASP A 24 12.209 15.188 6.462 1.00 52.31 H new ATOM 0 HA ASP A 24 13.974 15.350 4.107 1.00 73.14 H new ATOM 0 HB2 ASP A 24 13.999 17.604 6.079 1.00 4.14 H new ATOM 0 HB3 ASP A 24 14.425 17.604 4.379 1.00 4.14 H new ATOM 375 N TYR A 25 15.824 14.570 5.535 1.00 54.13 N ATOM 376 CA TYR A 25 16.909 14.042 6.352 1.00 63.41 C ATOM 377 C TYR A 25 18.265 14.467 5.797 1.00 24.12 C ATOM 378 O TYR A 25 18.486 14.450 4.587 1.00 2.51 O ATOM 379 CB TYR A 25 16.829 12.516 6.419 1.00 60.41 C ATOM 380 CG TYR A 25 16.567 11.864 5.080 1.00 20.30 C ATOM 381 CD1 TYR A 25 15.327 11.973 4.462 1.00 4.23 C ATOM 382 CD2 TYR A 25 17.560 11.139 4.432 1.00 31.22 C ATOM 383 CE1 TYR A 25 15.084 11.379 3.240 1.00 74.54 C ATOM 384 CE2 TYR A 25 17.326 10.542 3.209 1.00 55.05 C ATOM 385 CZ TYR A 25 16.086 10.664 2.617 1.00 53.34 C ATOM 386 OH TYR A 25 15.847 10.072 1.398 1.00 63.42 O ATOM 0 H TYR A 25 15.932 14.407 4.534 1.00 54.13 H new ATOM 0 HA TYR A 25 16.804 14.449 7.358 1.00 63.41 H new ATOM 0 HB2 TYR A 25 17.763 12.129 6.825 1.00 60.41 H new ATOM 0 HB3 TYR A 25 16.038 12.232 7.113 1.00 60.41 H new ATOM 0 HD1 TYR A 25 14.540 12.532 4.946 1.00 4.23 H new ATOM 0 HD2 TYR A 25 18.532 11.041 4.893 1.00 31.22 H new ATOM 0 HE1 TYR A 25 14.114 11.473 2.774 1.00 74.54 H new ATOM 0 HE2 TYR A 25 18.109 9.983 2.719 1.00 55.05 H new ATOM 0 HH TYR A 25 16.680 10.036 0.883 1.00 63.42 H new ATOM 396 N ASN A 26 19.171 14.847 6.693 1.00 71.02 N ATOM 397 CA ASN A 26 20.506 15.277 6.294 1.00 24.15 C ATOM 398 C ASN A 26 21.560 14.270 6.748 1.00 54.52 C ATOM 399 O ASN A 26 21.233 13.160 7.168 1.00 33.30 O ATOM 400 CB ASN A 26 20.817 16.656 6.880 1.00 32.24 C ATOM 401 CG ASN A 26 19.615 17.580 6.851 1.00 42.40 C ATOM 402 OD1 ASN A 26 19.127 17.948 5.782 1.00 32.03 O ATOM 403 ND2 ASN A 26 19.133 17.961 8.028 1.00 12.12 N ATOM 0 H ASN A 26 19.005 14.866 7.699 1.00 71.02 H new ATOM 0 HA ASN A 26 20.531 15.338 5.206 1.00 24.15 H new ATOM 0 HB2 ASN A 26 21.160 16.542 7.908 1.00 32.24 H new ATOM 0 HB3 ASN A 26 21.635 17.110 6.320 1.00 32.24 H new ATOM 0 HD21 ASN A 26 18.326 18.584 8.071 1.00 12.12 H new ATOM 0 HD22 ASN A 26 19.569 17.631 8.889 1.00 12.12 H new ATOM 410 N LEU A 27 22.825 14.667 6.660 1.00 34.42 N ATOM 411 CA LEU A 27 23.927 13.800 7.062 1.00 62.00 C ATOM 412 C LEU A 27 23.697 13.239 8.461 1.00 33.25 C ATOM 413 O LEU A 27 23.767 12.029 8.675 1.00 24.42 O ATOM 414 CB LEU A 27 25.248 14.570 7.020 1.00 23.11 C ATOM 415 CG LEU A 27 26.415 13.943 7.785 1.00 51.34 C ATOM 416 CD1 LEU A 27 27.733 14.242 7.087 1.00 55.25 C ATOM 417 CD2 LEU A 27 26.444 14.447 9.220 1.00 34.23 C ATOM 0 H LEU A 27 23.113 15.583 6.314 1.00 34.42 H new ATOM 0 HA LEU A 27 23.976 12.967 6.361 1.00 62.00 H new ATOM 0 HB2 LEU A 27 25.544 14.687 5.978 1.00 23.11 H new ATOM 0 HB3 LEU A 27 25.075 15.570 7.417 1.00 23.11 H new ATOM 0 HG LEU A 27 26.274 12.862 7.803 1.00 51.34 H new ATOM 0 HD11 LEU A 27 28.552 13.788 7.645 1.00 55.25 H new ATOM 0 HD12 LEU A 27 27.711 13.832 6.077 1.00 55.25 H new ATOM 0 HD13 LEU A 27 27.882 15.321 7.037 1.00 55.25 H new ATOM 0 HD21 LEU A 27 27.280 13.990 9.749 1.00 34.23 H new ATOM 0 HD22 LEU A 27 26.561 15.531 9.223 1.00 34.23 H new ATOM 0 HD23 LEU A 27 25.511 14.181 9.718 1.00 34.23 H new ATOM 429 N SER A 28 23.419 14.126 9.411 1.00 14.40 N ATOM 430 CA SER A 28 23.179 13.720 10.791 1.00 71.12 C ATOM 431 C SER A 28 21.990 12.767 10.878 1.00 42.52 C ATOM 432 O SER A 28 21.978 11.845 11.692 1.00 24.25 O ATOM 433 CB SER A 28 22.929 14.947 11.670 1.00 24.21 C ATOM 434 OG SER A 28 23.790 14.951 12.796 1.00 71.21 O ATOM 0 H SER A 28 23.354 15.131 9.250 1.00 14.40 H new ATOM 0 HA SER A 28 24.067 13.200 11.150 1.00 71.12 H new ATOM 0 HB2 SER A 28 23.084 15.854 11.086 1.00 24.21 H new ATOM 0 HB3 SER A 28 21.891 14.955 12.002 1.00 24.21 H new ATOM 0 HG SER A 28 23.612 15.746 13.341 1.00 71.21 H new ATOM 440 N SER A 29 20.991 12.999 10.032 1.00 65.23 N ATOM 441 CA SER A 29 19.796 12.165 10.015 1.00 75.44 C ATOM 442 C SER A 29 20.098 10.794 9.417 1.00 30.33 C ATOM 443 O SER A 29 19.502 9.788 9.807 1.00 4.41 O ATOM 444 CB SER A 29 18.683 12.847 9.216 1.00 3.31 C ATOM 445 OG SER A 29 18.436 14.155 9.702 1.00 12.21 O ATOM 0 H SER A 29 20.986 13.757 9.350 1.00 65.23 H new ATOM 0 HA SER A 29 19.464 12.029 11.044 1.00 75.44 H new ATOM 0 HB2 SER A 29 18.962 12.893 8.163 1.00 3.31 H new ATOM 0 HB3 SER A 29 17.770 12.254 9.278 1.00 3.31 H new ATOM 0 HG SER A 29 17.547 14.449 9.414 1.00 12.21 H new ATOM 451 N LEU A 30 21.027 10.761 8.469 1.00 64.23 N ATOM 452 CA LEU A 30 21.411 9.514 7.816 1.00 74.30 C ATOM 453 C LEU A 30 21.985 8.525 8.825 1.00 22.13 C ATOM 454 O LEU A 30 21.536 7.382 8.914 1.00 61.23 O ATOM 455 CB LEU A 30 22.434 9.786 6.712 1.00 3.45 C ATOM 456 CG LEU A 30 21.891 10.431 5.437 1.00 74.01 C ATOM 457 CD1 LEU A 30 22.984 11.215 4.727 1.00 15.14 C ATOM 458 CD2 LEU A 30 21.305 9.373 4.513 1.00 52.42 C ATOM 0 H LEU A 30 21.529 11.584 8.135 1.00 64.23 H new ATOM 0 HA LEU A 30 20.517 9.075 7.373 1.00 74.30 H new ATOM 0 HB2 LEU A 30 23.213 10.431 7.118 1.00 3.45 H new ATOM 0 HB3 LEU A 30 22.909 8.842 6.444 1.00 3.45 H new ATOM 0 HG LEU A 30 21.097 11.125 5.713 1.00 74.01 H new ATOM 0 HD11 LEU A 30 22.578 11.667 3.822 1.00 15.14 H new ATOM 0 HD12 LEU A 30 23.358 11.998 5.387 1.00 15.14 H new ATOM 0 HD13 LEU A 30 23.801 10.543 4.463 1.00 15.14 H new ATOM 0 HD21 LEU A 30 20.923 9.850 3.610 1.00 52.42 H new ATOM 0 HD22 LEU A 30 22.080 8.655 4.244 1.00 52.42 H new ATOM 0 HD23 LEU A 30 20.492 8.856 5.022 1.00 52.42 H new ATOM 470 N ILE A 31 22.979 8.973 9.585 1.00 15.33 N ATOM 471 CA ILE A 31 23.612 8.129 10.591 1.00 74.13 C ATOM 472 C ILE A 31 22.600 7.659 11.630 1.00 33.30 C ATOM 473 O ILE A 31 22.686 6.539 12.133 1.00 20.41 O ATOM 474 CB ILE A 31 24.759 8.868 11.305 1.00 32.40 C ATOM 475 CG1 ILE A 31 25.812 9.320 10.292 1.00 63.02 C ATOM 476 CG2 ILE A 31 25.385 7.974 12.365 1.00 10.13 C ATOM 477 CD1 ILE A 31 25.934 10.823 10.177 1.00 11.30 C ATOM 0 H ILE A 31 23.363 9.916 9.523 1.00 15.33 H new ATOM 0 HA ILE A 31 24.019 7.264 10.067 1.00 74.13 H new ATOM 0 HB ILE A 31 24.352 9.752 11.796 1.00 32.40 H new ATOM 0 HG12 ILE A 31 26.779 8.906 10.576 1.00 63.02 H new ATOM 0 HG13 ILE A 31 25.564 8.908 9.314 1.00 63.02 H new ATOM 0 HG21 ILE A 31 26.194 8.510 12.861 1.00 10.13 H new ATOM 0 HG22 ILE A 31 24.629 7.697 13.100 1.00 10.13 H new ATOM 0 HG23 ILE A 31 25.781 7.074 11.894 1.00 10.13 H new ATOM 0 HD11 ILE A 31 26.699 11.071 9.441 1.00 11.30 H new ATOM 0 HD12 ILE A 31 24.978 11.243 9.862 1.00 11.30 H new ATOM 0 HD13 ILE A 31 26.213 11.241 11.145 1.00 11.30 H new ATOM 489 N SER A 32 21.640 8.522 11.946 1.00 74.10 N ATOM 490 CA SER A 32 20.611 8.196 12.927 1.00 2.01 C ATOM 491 C SER A 32 19.879 6.914 12.542 1.00 43.14 C ATOM 492 O SER A 32 19.338 6.214 13.397 1.00 11.15 O ATOM 493 CB SER A 32 19.613 9.349 13.053 1.00 70.51 C ATOM 494 OG SER A 32 20.029 10.278 14.039 1.00 75.23 O ATOM 0 H SER A 32 21.553 9.452 11.537 1.00 74.10 H new ATOM 0 HA SER A 32 21.098 8.040 13.889 1.00 2.01 H new ATOM 0 HB2 SER A 32 19.513 9.854 12.092 1.00 70.51 H new ATOM 0 HB3 SER A 32 18.629 8.956 13.311 1.00 70.51 H new ATOM 0 HG SER A 32 19.376 11.006 14.099 1.00 75.23 H new ATOM 500 N ARG A 33 19.868 6.613 11.247 1.00 14.31 N ATOM 501 CA ARG A 33 19.202 5.417 10.747 1.00 73.23 C ATOM 502 C ARG A 33 20.221 4.382 10.280 1.00 3.00 C ATOM 503 O ARG A 33 19.915 3.194 10.182 1.00 44.52 O ATOM 504 CB ARG A 33 18.260 5.775 9.596 1.00 54.21 C ATOM 505 CG ARG A 33 17.402 7.000 9.870 1.00 42.14 C ATOM 506 CD ARG A 33 15.979 6.806 9.371 1.00 52.53 C ATOM 507 NE ARG A 33 15.052 6.512 10.460 1.00 22.05 N ATOM 508 CZ ARG A 33 13.866 5.941 10.283 1.00 61.15 C ATOM 509 NH1 ARG A 33 13.465 5.604 9.065 1.00 52.45 N ATOM 510 NH2 ARG A 33 13.079 5.705 11.324 1.00 30.04 N ATOM 0 H ARG A 33 20.313 7.181 10.526 1.00 14.31 H new ATOM 0 HA ARG A 33 18.621 4.988 11.563 1.00 73.23 H new ATOM 0 HB2 ARG A 33 18.850 5.949 8.696 1.00 54.21 H new ATOM 0 HB3 ARG A 33 17.610 4.924 9.392 1.00 54.21 H new ATOM 0 HG2 ARG A 33 17.389 7.204 10.941 1.00 42.14 H new ATOM 0 HG3 ARG A 33 17.843 7.871 9.385 1.00 42.14 H new ATOM 0 HD2 ARG A 33 15.652 7.706 8.850 1.00 52.53 H new ATOM 0 HD3 ARG A 33 15.957 5.992 8.646 1.00 52.53 H new ATOM 0 HE ARG A 33 15.331 6.759 11.410 1.00 22.05 H new ATOM 0 HH11 ARG A 33 14.068 5.783 8.262 1.00 52.45 H new ATOM 0 HH12 ARG A 33 12.554 5.166 8.931 1.00 52.45 H new ATOM 0 HH21 ARG A 33 13.384 5.962 12.263 1.00 30.04 H new ATOM 0 HH22 ARG A 33 12.169 5.266 11.186 1.00 30.04 H new ATOM 524 N GLY A 34 21.435 4.842 9.993 1.00 43.30 N ATOM 525 CA GLY A 34 22.481 3.944 9.539 1.00 1.25 C ATOM 526 C GLY A 34 22.900 4.218 8.109 1.00 45.02 C ATOM 527 O GLY A 34 22.966 3.303 7.288 1.00 12.32 O ATOM 0 H GLY A 34 21.713 5.821 10.067 1.00 43.30 H new ATOM 0 HA2 GLY A 34 23.348 4.041 10.193 1.00 1.25 H new ATOM 0 HA3 GLY A 34 22.133 2.914 9.621 1.00 1.25 H new ATOM 531 N ALA A 35 23.184 5.481 7.808 1.00 12.23 N ATOM 532 CA ALA A 35 23.599 5.873 6.467 1.00 20.21 C ATOM 533 C ALA A 35 24.684 6.943 6.519 1.00 61.11 C ATOM 534 O ALA A 35 25.069 7.399 7.596 1.00 5.41 O ATOM 535 CB ALA A 35 22.403 6.369 5.668 1.00 1.22 C ATOM 0 H ALA A 35 23.134 6.251 8.476 1.00 12.23 H new ATOM 0 HA ALA A 35 24.014 4.996 5.971 1.00 20.21 H new ATOM 0 HB1 ALA A 35 22.728 6.658 4.669 1.00 1.22 H new ATOM 0 HB2 ALA A 35 21.661 5.574 5.592 1.00 1.22 H new ATOM 0 HB3 ALA A 35 21.962 7.230 6.170 1.00 1.22 H new ATOM 541 N LEU A 36 25.174 7.339 5.349 1.00 20.03 N ATOM 542 CA LEU A 36 26.216 8.356 5.261 1.00 23.12 C ATOM 543 C LEU A 36 25.991 9.264 4.056 1.00 33.25 C ATOM 544 O LEU A 36 25.656 8.797 2.969 1.00 71.51 O ATOM 545 CB LEU A 36 27.593 7.696 5.167 1.00 42.35 C ATOM 546 CG LEU A 36 28.621 8.136 6.210 1.00 62.24 C ATOM 547 CD1 LEU A 36 29.020 9.587 5.988 1.00 33.30 C ATOM 548 CD2 LEU A 36 28.072 7.941 7.615 1.00 33.52 C ATOM 0 H LEU A 36 24.866 6.971 4.449 1.00 20.03 H new ATOM 0 HA LEU A 36 26.172 8.965 6.164 1.00 23.12 H new ATOM 0 HB2 LEU A 36 27.463 6.617 5.247 1.00 42.35 H new ATOM 0 HB3 LEU A 36 28.002 7.895 4.176 1.00 42.35 H new ATOM 0 HG LEU A 36 29.510 7.515 6.100 1.00 62.24 H new ATOM 0 HD11 LEU A 36 29.752 9.882 6.740 1.00 33.30 H new ATOM 0 HD12 LEU A 36 29.455 9.697 4.995 1.00 33.30 H new ATOM 0 HD13 LEU A 36 28.139 10.223 6.070 1.00 33.30 H new ATOM 0 HD21 LEU A 36 28.817 8.259 8.344 1.00 33.52 H new ATOM 0 HD22 LEU A 36 27.167 8.536 7.738 1.00 33.52 H new ATOM 0 HD23 LEU A 36 27.838 6.888 7.771 1.00 33.52 H new ATOM 560 N ASN A 37 26.179 10.564 4.258 1.00 31.04 N ATOM 561 CA ASN A 37 25.998 11.538 3.188 1.00 74.31 C ATOM 562 C ASN A 37 26.803 11.145 1.953 1.00 74.21 C ATOM 563 O ASN A 37 26.280 11.127 0.838 1.00 1.33 O ATOM 564 CB ASN A 37 26.416 12.931 3.661 1.00 3.14 C ATOM 565 CG ASN A 37 27.845 12.964 4.168 1.00 45.44 C ATOM 566 OD1 ASN A 37 28.212 12.217 5.074 1.00 22.33 O ATOM 567 ND2 ASN A 37 28.660 13.835 3.582 1.00 21.43 N ATOM 0 H ASN A 37 26.457 10.967 5.153 1.00 31.04 H new ATOM 0 HA ASN A 37 24.941 11.555 2.921 1.00 74.31 H new ATOM 0 HB2 ASN A 37 26.309 13.638 2.839 1.00 3.14 H new ATOM 0 HB3 ASN A 37 25.744 13.259 4.454 1.00 3.14 H new ATOM 0 HD21 ASN A 37 29.633 13.903 3.880 1.00 21.43 H new ATOM 0 HD22 ASN A 37 28.312 14.435 2.834 1.00 21.43 H new ATOM 574 N ASP A 38 28.076 10.830 2.160 1.00 65.23 N ATOM 575 CA ASP A 38 28.954 10.435 1.064 1.00 41.11 C ATOM 576 C ASP A 38 29.189 8.928 1.071 1.00 34.24 C ATOM 577 O ASP A 38 30.152 8.442 1.665 1.00 51.41 O ATOM 578 CB ASP A 38 30.291 11.172 1.162 1.00 54.32 C ATOM 579 CG ASP A 38 30.799 11.263 2.587 1.00 33.12 C ATOM 580 OD1 ASP A 38 30.489 10.354 3.386 1.00 42.32 O ATOM 581 OD2 ASP A 38 31.505 12.243 2.905 1.00 62.25 O ATOM 0 H ASP A 38 28.524 10.840 3.076 1.00 65.23 H new ATOM 0 HA ASP A 38 28.467 10.704 0.127 1.00 41.11 H new ATOM 0 HB2 ASP A 38 31.031 10.659 0.548 1.00 54.32 H new ATOM 0 HB3 ASP A 38 30.179 12.177 0.754 1.00 54.32 H new ATOM 586 N ASP A 39 28.302 8.193 0.410 1.00 55.03 N ATOM 587 CA ASP A 39 28.412 6.741 0.340 1.00 34.50 C ATOM 588 C ASP A 39 27.318 6.155 -0.548 1.00 64.31 C ATOM 589 O ASP A 39 27.534 5.161 -1.243 1.00 22.43 O ATOM 590 CB ASP A 39 28.327 6.133 1.741 1.00 4.54 C ATOM 591 CG ASP A 39 28.358 4.618 1.719 1.00 72.14 C ATOM 592 OD1 ASP A 39 28.829 4.049 0.712 1.00 52.54 O ATOM 593 OD2 ASP A 39 27.910 4.000 2.707 1.00 14.23 O ATOM 0 H ASP A 39 27.498 8.579 -0.085 1.00 55.03 H new ATOM 0 HA ASP A 39 29.380 6.496 -0.096 1.00 34.50 H new ATOM 0 HB2 ASP A 39 29.157 6.501 2.344 1.00 4.54 H new ATOM 0 HB3 ASP A 39 27.409 6.467 2.224 1.00 4.54 H new ATOM 598 N LEU A 40 26.145 6.776 -0.520 1.00 74.12 N ATOM 599 CA LEU A 40 25.016 6.316 -1.322 1.00 61.31 C ATOM 600 C LEU A 40 25.445 6.046 -2.761 1.00 33.32 C ATOM 601 O LEU A 40 26.067 6.891 -3.403 1.00 5.53 O ATOM 602 CB LEU A 40 23.892 7.353 -1.299 1.00 20.11 C ATOM 603 CG LEU A 40 22.807 7.143 -0.242 1.00 2.41 C ATOM 604 CD1 LEU A 40 23.426 7.026 1.142 1.00 22.42 C ATOM 605 CD2 LEU A 40 21.797 8.281 -0.281 1.00 43.13 C ATOM 0 H LEU A 40 25.950 7.600 0.049 1.00 74.12 H new ATOM 0 HA LEU A 40 24.651 5.384 -0.890 1.00 61.31 H new ATOM 0 HB2 LEU A 40 24.335 8.337 -1.145 1.00 20.11 H new ATOM 0 HB3 LEU A 40 23.418 7.367 -2.280 1.00 20.11 H new ATOM 0 HG LEU A 40 22.285 6.212 -0.465 1.00 2.41 H new ATOM 0 HD11 LEU A 40 22.639 6.877 1.881 1.00 22.42 H new ATOM 0 HD12 LEU A 40 24.110 6.178 1.164 1.00 22.42 H new ATOM 0 HD13 LEU A 40 23.973 7.940 1.374 1.00 22.42 H new ATOM 0 HD21 LEU A 40 21.032 8.115 0.478 1.00 43.13 H new ATOM 0 HD22 LEU A 40 22.305 9.225 -0.084 1.00 43.13 H new ATOM 0 HD23 LEU A 40 21.330 8.319 -1.265 1.00 43.13 H new ATOM 617 N SER A 41 25.105 4.862 -3.262 1.00 10.31 N ATOM 618 CA SER A 41 25.456 4.480 -4.625 1.00 30.14 C ATOM 619 C SER A 41 24.204 4.203 -5.451 1.00 34.23 C ATOM 620 O SER A 41 24.218 4.314 -6.677 1.00 20.15 O ATOM 621 CB SER A 41 26.357 3.244 -4.614 1.00 24.11 C ATOM 622 OG SER A 41 27.685 3.584 -4.253 1.00 50.03 O ATOM 0 H SER A 41 24.587 4.152 -2.745 1.00 10.31 H new ATOM 0 HA SER A 41 25.995 5.310 -5.082 1.00 30.14 H new ATOM 0 HB2 SER A 41 25.963 2.509 -3.912 1.00 24.11 H new ATOM 0 HB3 SER A 41 26.353 2.778 -5.599 1.00 24.11 H new ATOM 0 HG SER A 41 27.827 3.387 -3.304 1.00 50.03 H new ATOM 628 N SER A 42 23.121 3.841 -4.769 1.00 50.44 N ATOM 629 CA SER A 42 21.860 3.544 -5.439 1.00 42.22 C ATOM 630 C SER A 42 20.678 4.063 -4.626 1.00 72.52 C ATOM 631 O SER A 42 20.799 4.322 -3.429 1.00 63.54 O ATOM 632 CB SER A 42 21.719 2.037 -5.662 1.00 3.14 C ATOM 633 OG SER A 42 20.394 1.605 -5.405 1.00 3.45 O ATOM 0 H SER A 42 23.092 3.746 -3.754 1.00 50.44 H new ATOM 0 HA SER A 42 21.863 4.048 -6.406 1.00 42.22 H new ATOM 0 HB2 SER A 42 21.992 1.791 -6.688 1.00 3.14 H new ATOM 0 HB3 SER A 42 22.411 1.504 -5.011 1.00 3.14 H new ATOM 0 HG SER A 42 20.294 0.671 -5.686 1.00 3.45 H new ATOM 639 N ALA A 43 19.534 4.211 -5.286 1.00 51.32 N ATOM 640 CA ALA A 43 18.328 4.697 -4.626 1.00 25.52 C ATOM 641 C ALA A 43 17.075 4.162 -5.309 1.00 72.55 C ATOM 642 O ALA A 43 16.767 4.533 -6.442 1.00 43.31 O ATOM 643 CB ALA A 43 18.313 6.218 -4.607 1.00 21.13 C ATOM 0 H ALA A 43 19.417 4.001 -6.277 1.00 51.32 H new ATOM 0 HA ALA A 43 18.334 4.332 -3.599 1.00 25.52 H new ATOM 0 HB1 ALA A 43 17.407 6.567 -4.111 1.00 21.13 H new ATOM 0 HB2 ALA A 43 19.186 6.584 -4.067 1.00 21.13 H new ATOM 0 HB3 ALA A 43 18.335 6.595 -5.630 1.00 21.13 H new ATOM 649 N ARG A 44 16.355 3.287 -4.615 1.00 21.44 N ATOM 650 CA ARG A 44 15.136 2.699 -5.156 1.00 53.10 C ATOM 651 C ARG A 44 13.947 3.634 -4.957 1.00 15.24 C ATOM 652 O ARG A 44 13.549 3.918 -3.826 1.00 42.15 O ATOM 653 CB ARG A 44 14.855 1.351 -4.491 1.00 32.54 C ATOM 654 CG ARG A 44 15.164 0.157 -5.379 1.00 70.22 C ATOM 655 CD ARG A 44 14.381 -1.074 -4.950 1.00 62.44 C ATOM 656 NE ARG A 44 14.036 -1.926 -6.085 1.00 71.24 N ATOM 657 CZ ARG A 44 13.489 -3.130 -5.961 1.00 31.30 C ATOM 658 NH1 ARG A 44 13.226 -3.622 -4.758 1.00 0.51 N ATOM 659 NH2 ARG A 44 13.203 -3.845 -7.042 1.00 23.55 N ATOM 0 H ARG A 44 16.595 2.969 -3.676 1.00 21.44 H new ATOM 0 HA ARG A 44 15.281 2.545 -6.225 1.00 53.10 H new ATOM 0 HB2 ARG A 44 15.445 1.276 -3.578 1.00 32.54 H new ATOM 0 HB3 ARG A 44 13.806 1.312 -4.197 1.00 32.54 H new ATOM 0 HG2 ARG A 44 14.923 0.400 -6.414 1.00 70.22 H new ATOM 0 HG3 ARG A 44 16.232 -0.059 -5.342 1.00 70.22 H new ATOM 0 HD2 ARG A 44 14.969 -1.646 -4.233 1.00 62.44 H new ATOM 0 HD3 ARG A 44 13.469 -0.764 -4.439 1.00 62.44 H new ATOM 0 HE ARG A 44 14.226 -1.577 -7.025 1.00 71.24 H new ATOM 0 HH11 ARG A 44 13.444 -3.076 -3.925 1.00 0.51 H new ATOM 0 HH12 ARG A 44 12.806 -4.547 -4.666 1.00 0.51 H new ATOM 0 HH21 ARG A 44 13.403 -3.470 -7.969 1.00 23.55 H new ATOM 0 HH22 ARG A 44 12.783 -4.769 -6.946 1.00 23.55 H new ATOM 673 N VAL A 45 13.383 4.111 -6.062 1.00 72.42 N ATOM 674 CA VAL A 45 12.239 5.013 -6.009 1.00 50.22 C ATOM 675 C VAL A 45 11.344 4.839 -7.231 1.00 62.41 C ATOM 676 O VAL A 45 11.455 5.562 -8.221 1.00 41.02 O ATOM 677 CB VAL A 45 12.688 6.484 -5.921 1.00 62.14 C ATOM 678 CG1 VAL A 45 13.714 6.795 -7.001 1.00 75.52 C ATOM 679 CG2 VAL A 45 11.489 7.414 -6.030 1.00 3.04 C ATOM 0 H VAL A 45 13.700 3.888 -7.005 1.00 72.42 H new ATOM 0 HA VAL A 45 11.676 4.758 -5.111 1.00 50.22 H new ATOM 0 HB VAL A 45 13.157 6.645 -4.950 1.00 62.14 H new ATOM 0 HG11 VAL A 45 14.019 7.838 -6.923 1.00 75.52 H new ATOM 0 HG12 VAL A 45 14.584 6.152 -6.872 1.00 75.52 H new ATOM 0 HG13 VAL A 45 13.274 6.618 -7.982 1.00 75.52 H new ATOM 0 HG21 VAL A 45 11.824 8.449 -5.966 1.00 3.04 H new ATOM 0 HG22 VAL A 45 10.989 7.253 -6.985 1.00 3.04 H new ATOM 0 HG23 VAL A 45 10.793 7.207 -5.217 1.00 3.04 H new ATOM 689 N PRO A 46 10.434 3.856 -7.162 1.00 62.45 N ATOM 690 CA PRO A 46 9.501 3.563 -8.254 1.00 51.24 C ATOM 691 C PRO A 46 8.451 4.656 -8.428 1.00 65.33 C ATOM 692 O PRO A 46 8.394 5.605 -7.646 1.00 62.35 O ATOM 693 CB PRO A 46 8.841 2.253 -7.816 1.00 44.11 C ATOM 694 CG PRO A 46 8.956 2.250 -6.331 1.00 31.12 C ATOM 695 CD PRO A 46 10.246 2.954 -6.013 1.00 51.33 C ATOM 0 HA PRO A 46 10.008 3.499 -9.217 1.00 51.24 H new ATOM 0 HB2 PRO A 46 7.799 2.209 -8.133 1.00 44.11 H new ATOM 0 HB3 PRO A 46 9.344 1.391 -8.254 1.00 44.11 H new ATOM 0 HG2 PRO A 46 8.109 2.762 -5.873 1.00 31.12 H new ATOM 0 HG3 PRO A 46 8.961 1.232 -5.942 1.00 31.12 H new ATOM 0 HD2 PRO A 46 10.182 3.506 -5.075 1.00 51.33 H new ATOM 0 HD3 PRO A 46 11.073 2.251 -5.914 1.00 51.33 H new ATOM 703 N SER A 47 7.622 4.515 -9.458 1.00 5.22 N ATOM 704 CA SER A 47 6.577 5.492 -9.736 1.00 14.50 C ATOM 705 C SER A 47 5.741 5.764 -8.489 1.00 32.42 C ATOM 706 O SER A 47 5.716 4.960 -7.558 1.00 31.14 O ATOM 707 CB SER A 47 5.676 4.998 -10.870 1.00 1.42 C ATOM 708 OG SER A 47 6.024 5.609 -12.100 1.00 40.13 O ATOM 0 H SER A 47 7.654 3.734 -10.113 1.00 5.22 H new ATOM 0 HA SER A 47 7.056 6.422 -10.041 1.00 14.50 H new ATOM 0 HB2 SER A 47 5.761 3.915 -10.961 1.00 1.42 H new ATOM 0 HB3 SER A 47 4.635 5.217 -10.633 1.00 1.42 H new ATOM 0 HG SER A 47 5.435 5.276 -12.809 1.00 40.13 H new ATOM 714 N GLY A 48 5.056 6.904 -8.479 1.00 24.42 N ATOM 715 CA GLY A 48 4.229 7.262 -7.342 1.00 34.21 C ATOM 716 C GLY A 48 5.048 7.678 -6.136 1.00 72.23 C ATOM 717 O GLY A 48 4.693 7.367 -4.998 1.00 43.42 O ATOM 0 H GLY A 48 5.059 7.585 -9.238 1.00 24.42 H new ATOM 0 HA2 GLY A 48 3.563 8.078 -7.624 1.00 34.21 H new ATOM 0 HA3 GLY A 48 3.599 6.414 -7.074 1.00 34.21 H new ATOM 721 N LEU A 49 6.147 8.381 -6.384 1.00 64.44 N ATOM 722 CA LEU A 49 7.021 8.839 -5.310 1.00 23.32 C ATOM 723 C LEU A 49 8.098 9.777 -5.846 1.00 14.31 C ATOM 724 O LEU A 49 8.739 9.489 -6.857 1.00 11.35 O ATOM 725 CB LEU A 49 7.672 7.644 -4.611 1.00 24.11 C ATOM 726 CG LEU A 49 7.793 7.740 -3.090 1.00 5.43 C ATOM 727 CD1 LEU A 49 8.510 6.520 -2.533 1.00 34.23 C ATOM 728 CD2 LEU A 49 8.522 9.016 -2.692 1.00 61.05 C ATOM 0 H LEU A 49 6.454 8.646 -7.320 1.00 64.44 H new ATOM 0 HA LEU A 49 6.413 9.387 -4.590 1.00 23.32 H new ATOM 0 HB2 LEU A 49 7.098 6.750 -4.854 1.00 24.11 H new ATOM 0 HB3 LEU A 49 8.670 7.505 -5.027 1.00 24.11 H new ATOM 0 HG LEU A 49 6.789 7.771 -2.667 1.00 5.43 H new ATOM 0 HD11 LEU A 49 8.587 6.606 -1.449 1.00 34.23 H new ATOM 0 HD12 LEU A 49 7.949 5.621 -2.787 1.00 34.23 H new ATOM 0 HD13 LEU A 49 9.509 6.457 -2.964 1.00 34.23 H new ATOM 0 HD21 LEU A 49 8.599 9.067 -1.606 1.00 61.05 H new ATOM 0 HD22 LEU A 49 9.521 9.015 -3.127 1.00 61.05 H new ATOM 0 HD23 LEU A 49 7.968 9.881 -3.058 1.00 61.05 H new ATOM 740 N ARG A 50 8.291 10.900 -5.161 1.00 23.40 N ATOM 741 CA ARG A 50 9.291 11.880 -5.568 1.00 32.02 C ATOM 742 C ARG A 50 10.247 12.190 -4.420 1.00 13.44 C ATOM 743 O ARG A 50 9.818 12.507 -3.309 1.00 41.11 O ATOM 744 CB ARG A 50 8.611 13.166 -6.042 1.00 2.03 C ATOM 745 CG ARG A 50 9.584 14.215 -6.554 1.00 52.55 C ATOM 746 CD ARG A 50 9.127 15.621 -6.196 1.00 70.10 C ATOM 747 NE ARG A 50 9.950 16.644 -6.836 1.00 31.22 N ATOM 748 CZ ARG A 50 9.828 16.994 -8.111 1.00 75.34 C ATOM 749 NH1 ARG A 50 8.920 16.406 -8.879 1.00 43.33 N ATOM 750 NH2 ARG A 50 10.613 17.934 -8.621 1.00 64.41 N ATOM 0 H ARG A 50 7.768 11.153 -4.322 1.00 23.40 H new ATOM 0 HA ARG A 50 9.866 11.456 -6.391 1.00 32.02 H new ATOM 0 HB2 ARG A 50 7.903 12.922 -6.834 1.00 2.03 H new ATOM 0 HB3 ARG A 50 8.035 13.588 -5.218 1.00 2.03 H new ATOM 0 HG2 ARG A 50 10.572 14.034 -6.131 1.00 52.55 H new ATOM 0 HG3 ARG A 50 9.680 14.127 -7.636 1.00 52.55 H new ATOM 0 HD2 ARG A 50 8.087 15.752 -6.497 1.00 70.10 H new ATOM 0 HD3 ARG A 50 9.165 15.750 -5.114 1.00 70.10 H new ATOM 0 HE ARG A 50 10.657 17.116 -6.272 1.00 31.22 H new ATOM 0 HH11 ARG A 50 8.314 15.684 -8.490 1.00 43.33 H new ATOM 0 HH12 ARG A 50 8.828 16.676 -9.858 1.00 43.33 H new ATOM 0 HH21 ARG A 50 11.312 18.389 -8.033 1.00 64.41 H new ATOM 0 HH22 ARG A 50 10.518 18.202 -9.601 1.00 64.41 H new ATOM 764 N LEU A 51 11.543 12.097 -4.694 1.00 50.04 N ATOM 765 CA LEU A 51 12.561 12.367 -3.685 1.00 15.44 C ATOM 766 C LEU A 51 13.513 13.463 -4.151 1.00 42.34 C ATOM 767 O LEU A 51 13.800 13.583 -5.342 1.00 24.01 O ATOM 768 CB LEU A 51 13.346 11.093 -3.370 1.00 10.02 C ATOM 769 CG LEU A 51 14.356 10.648 -4.429 1.00 15.04 C ATOM 770 CD1 LEU A 51 15.727 11.240 -4.141 1.00 34.11 C ATOM 771 CD2 LEU A 51 14.430 9.129 -4.489 1.00 42.43 C ATOM 0 H LEU A 51 11.914 11.836 -5.608 1.00 50.04 H new ATOM 0 HA LEU A 51 12.058 12.709 -2.780 1.00 15.44 H new ATOM 0 HB2 LEU A 51 13.877 11.240 -2.430 1.00 10.02 H new ATOM 0 HB3 LEU A 51 12.635 10.282 -3.211 1.00 10.02 H new ATOM 0 HG LEU A 51 14.022 11.014 -5.400 1.00 15.04 H new ATOM 0 HD11 LEU A 51 16.432 10.913 -4.905 1.00 34.11 H new ATOM 0 HD12 LEU A 51 15.663 12.328 -4.149 1.00 34.11 H new ATOM 0 HD13 LEU A 51 16.070 10.904 -3.162 1.00 34.11 H new ATOM 0 HD21 LEU A 51 15.153 8.830 -5.248 1.00 42.43 H new ATOM 0 HD22 LEU A 51 14.740 8.741 -3.519 1.00 42.43 H new ATOM 0 HD23 LEU A 51 13.449 8.727 -4.744 1.00 42.43 H new ATOM 783 N GLU A 52 14.001 14.259 -3.205 1.00 0.12 N ATOM 784 CA GLU A 52 14.923 15.344 -3.520 1.00 53.10 C ATOM 785 C GLU A 52 16.346 14.988 -3.102 1.00 23.54 C ATOM 786 O GLU A 52 16.555 14.199 -2.180 1.00 23.40 O ATOM 787 CB GLU A 52 14.483 16.634 -2.825 1.00 43.50 C ATOM 788 CG GLU A 52 14.252 17.792 -3.781 1.00 52.42 C ATOM 789 CD GLU A 52 13.369 18.872 -3.187 1.00 12.42 C ATOM 790 OE1 GLU A 52 12.365 18.524 -2.531 1.00 0.42 O ATOM 791 OE2 GLU A 52 13.683 20.066 -3.378 1.00 14.12 O ATOM 0 H GLU A 52 13.773 14.173 -2.214 1.00 0.12 H new ATOM 0 HA GLU A 52 14.908 15.497 -4.599 1.00 53.10 H new ATOM 0 HB2 GLU A 52 13.564 16.443 -2.271 1.00 43.50 H new ATOM 0 HB3 GLU A 52 15.241 16.921 -2.096 1.00 43.50 H new ATOM 0 HG2 GLU A 52 15.213 18.226 -4.059 1.00 52.42 H new ATOM 0 HG3 GLU A 52 13.795 17.417 -4.696 1.00 52.42 H new ATOM 798 N VAL A 53 17.323 15.574 -3.787 1.00 13.44 N ATOM 799 CA VAL A 53 18.727 15.320 -3.487 1.00 33.01 C ATOM 800 C VAL A 53 19.500 16.624 -3.326 1.00 55.35 C ATOM 801 O VAL A 53 19.364 17.543 -4.135 1.00 74.53 O ATOM 802 CB VAL A 53 19.392 14.474 -4.589 1.00 53.32 C ATOM 803 CG1 VAL A 53 20.838 14.171 -4.230 1.00 45.54 C ATOM 804 CG2 VAL A 53 18.610 13.189 -4.819 1.00 4.45 C ATOM 0 H VAL A 53 17.168 16.228 -4.554 1.00 13.44 H new ATOM 0 HA VAL A 53 18.755 14.767 -2.548 1.00 33.01 H new ATOM 0 HB VAL A 53 19.386 15.047 -5.516 1.00 53.32 H new ATOM 0 HG11 VAL A 53 21.291 13.573 -5.020 1.00 45.54 H new ATOM 0 HG12 VAL A 53 21.389 15.105 -4.121 1.00 45.54 H new ATOM 0 HG13 VAL A 53 20.872 13.618 -3.291 1.00 45.54 H new ATOM 0 HG21 VAL A 53 19.094 12.604 -5.601 1.00 4.45 H new ATOM 0 HG22 VAL A 53 18.583 12.610 -3.896 1.00 4.45 H new ATOM 0 HG23 VAL A 53 17.593 13.432 -5.125 1.00 4.45 H new ATOM 814 N PHE A 54 20.312 16.699 -2.277 1.00 53.23 N ATOM 815 CA PHE A 54 21.107 17.892 -2.010 1.00 30.12 C ATOM 816 C PHE A 54 22.562 17.525 -1.732 1.00 72.44 C ATOM 817 O PHE A 54 22.932 17.230 -0.596 1.00 71.44 O ATOM 818 CB PHE A 54 20.528 18.661 -0.820 1.00 73.25 C ATOM 819 CG PHE A 54 19.031 18.787 -0.859 1.00 65.44 C ATOM 820 CD1 PHE A 54 18.421 19.698 -1.706 1.00 4.44 C ATOM 821 CD2 PHE A 54 18.235 17.993 -0.049 1.00 41.32 C ATOM 822 CE1 PHE A 54 17.045 19.816 -1.744 1.00 52.52 C ATOM 823 CE2 PHE A 54 16.858 18.107 -0.084 1.00 21.43 C ATOM 824 CZ PHE A 54 16.262 19.020 -0.931 1.00 43.13 C ATOM 0 H PHE A 54 20.437 15.948 -1.598 1.00 53.23 H new ATOM 0 HA PHE A 54 21.073 18.526 -2.896 1.00 30.12 H new ATOM 0 HB2 PHE A 54 20.819 18.159 0.103 1.00 73.25 H new ATOM 0 HB3 PHE A 54 20.968 19.658 -0.793 1.00 73.25 H new ATOM 0 HD1 PHE A 54 19.028 20.323 -2.344 1.00 4.44 H new ATOM 0 HD2 PHE A 54 18.695 17.278 0.617 1.00 41.32 H new ATOM 0 HE1 PHE A 54 16.582 20.530 -2.409 1.00 52.52 H new ATOM 0 HE2 PHE A 54 16.248 17.482 0.551 1.00 21.43 H new ATOM 0 HZ PHE A 54 15.186 19.112 -0.958 1.00 43.13 H new ATOM 834 N GLN A 55 23.381 17.545 -2.779 1.00 72.40 N ATOM 835 CA GLN A 55 24.795 17.212 -2.649 1.00 15.54 C ATOM 836 C GLN A 55 25.468 18.099 -1.606 1.00 30.30 C ATOM 837 O GLN A 55 26.126 17.606 -0.689 1.00 43.02 O ATOM 838 CB GLN A 55 25.502 17.363 -3.997 1.00 31.25 C ATOM 839 CG GLN A 55 25.092 16.315 -5.019 1.00 12.30 C ATOM 840 CD GLN A 55 24.409 16.918 -6.231 1.00 12.34 C ATOM 841 OE1 GLN A 55 24.927 17.847 -6.851 1.00 53.14 O ATOM 842 NE2 GLN A 55 23.239 16.392 -6.574 1.00 61.02 N ATOM 0 H GLN A 55 23.090 17.788 -3.726 1.00 72.40 H new ATOM 0 HA GLN A 55 24.871 16.175 -2.322 1.00 15.54 H new ATOM 0 HB2 GLN A 55 25.291 18.354 -4.400 1.00 31.25 H new ATOM 0 HB3 GLN A 55 26.579 17.305 -3.842 1.00 31.25 H new ATOM 0 HG2 GLN A 55 25.975 15.763 -5.341 1.00 12.30 H new ATOM 0 HG3 GLN A 55 24.421 15.597 -4.548 1.00 12.30 H new ATOM 0 HE21 GLN A 55 22.847 15.623 -6.031 1.00 61.02 H new ATOM 0 HE22 GLN A 55 22.732 16.757 -7.380 1.00 61.02 H new ATOM 851 N HIS A 56 25.299 19.409 -1.752 1.00 42.12 N ATOM 852 CA HIS A 56 25.891 20.365 -0.822 1.00 71.45 C ATOM 853 C HIS A 56 25.070 20.454 0.460 1.00 11.04 C ATOM 854 O HIS A 56 23.904 20.063 0.491 1.00 70.12 O ATOM 855 CB HIS A 56 25.994 21.744 -1.473 1.00 50.40 C ATOM 856 CG HIS A 56 27.022 21.819 -2.560 1.00 2.05 C ATOM 857 ND1 HIS A 56 28.231 22.466 -2.409 1.00 32.41 N ATOM 858 CD2 HIS A 56 27.017 21.322 -3.819 1.00 25.05 C ATOM 859 CE1 HIS A 56 28.924 22.365 -3.529 1.00 23.53 C ATOM 860 NE2 HIS A 56 28.210 21.675 -4.400 1.00 25.30 N ATOM 0 H HIS A 56 24.757 19.833 -2.505 1.00 42.12 H new ATOM 0 HA HIS A 56 26.892 20.016 -0.568 1.00 71.45 H new ATOM 0 HB2 HIS A 56 25.022 22.016 -1.884 1.00 50.40 H new ATOM 0 HB3 HIS A 56 26.233 22.481 -0.707 1.00 50.40 H new ATOM 0 HD2 HIS A 56 26.223 20.754 -4.280 1.00 25.05 H new ATOM 0 HE1 HIS A 56 29.907 22.777 -3.703 1.00 23.53 H new ATOM 0 HE2 HIS A 56 28.498 21.442 -5.350 1.00 25.30 H new ATOM 868 N ASN A 57 25.688 20.971 1.518 1.00 74.33 N ATOM 869 CA ASN A 57 25.014 21.110 2.804 1.00 42.02 C ATOM 870 C ASN A 57 24.429 22.510 2.963 1.00 50.04 C ATOM 871 O ASN A 57 24.781 23.428 2.224 1.00 45.41 O ATOM 872 CB ASN A 57 25.988 20.820 3.947 1.00 24.33 C ATOM 873 CG ASN A 57 26.866 22.012 4.276 1.00 63.24 C ATOM 874 OD1 ASN A 57 26.581 22.770 5.202 1.00 10.43 O ATOM 875 ND2 ASN A 57 27.941 22.182 3.515 1.00 42.33 N ATOM 0 H ASN A 57 26.653 21.300 1.510 1.00 74.33 H new ATOM 0 HA ASN A 57 24.198 20.388 2.838 1.00 42.02 H new ATOM 0 HB2 ASN A 57 25.426 20.530 4.835 1.00 24.33 H new ATOM 0 HB3 ASN A 57 26.618 19.972 3.678 1.00 24.33 H new ATOM 0 HD21 ASN A 57 28.569 22.967 3.688 1.00 42.33 H new ATOM 0 HD22 ASN A 57 28.138 21.528 2.758 1.00 42.33 H new ATOM 882 N ASN A 58 23.533 22.665 3.932 1.00 22.43 N ATOM 883 CA ASN A 58 22.899 23.952 4.189 1.00 52.54 C ATOM 884 C ASN A 58 22.108 24.421 2.971 1.00 51.21 C ATOM 885 O ASN A 58 21.796 25.605 2.838 1.00 35.41 O ATOM 886 CB ASN A 58 23.952 24.998 4.560 1.00 11.31 C ATOM 887 CG ASN A 58 23.794 25.498 5.983 1.00 33.23 C ATOM 888 OD1 ASN A 58 22.845 26.216 6.299 1.00 41.21 O ATOM 889 ND2 ASN A 58 24.725 25.119 6.850 1.00 24.32 N ATOM 0 H ASN A 58 23.230 21.914 4.552 1.00 22.43 H new ATOM 0 HA ASN A 58 22.209 23.829 5.024 1.00 52.54 H new ATOM 0 HB2 ASN A 58 24.946 24.568 4.437 1.00 11.31 H new ATOM 0 HB3 ASN A 58 23.882 25.840 3.872 1.00 11.31 H new ATOM 0 HD21 ASN A 58 24.671 25.424 7.822 1.00 24.32 H new ATOM 0 HD22 ASN A 58 25.494 24.523 6.544 1.00 24.32 H new ATOM 896 N PHE A 59 21.787 23.485 2.085 1.00 73.44 N ATOM 897 CA PHE A 59 21.032 23.801 0.877 1.00 5.13 C ATOM 898 C PHE A 59 21.678 24.958 0.120 1.00 22.02 C ATOM 899 O PHE A 59 21.026 25.957 -0.185 1.00 61.42 O ATOM 900 CB PHE A 59 19.586 24.153 1.232 1.00 61.25 C ATOM 901 CG PHE A 59 18.703 22.951 1.406 1.00 35.14 C ATOM 902 CD1 PHE A 59 19.030 21.961 2.319 1.00 73.11 C ATOM 903 CD2 PHE A 59 17.545 22.811 0.658 1.00 70.21 C ATOM 904 CE1 PHE A 59 18.219 20.854 2.483 1.00 74.34 C ATOM 905 CE2 PHE A 59 16.730 21.706 0.818 1.00 51.25 C ATOM 906 CZ PHE A 59 17.068 20.726 1.730 1.00 33.20 C ATOM 0 H PHE A 59 22.038 22.501 2.180 1.00 73.44 H new ATOM 0 HA PHE A 59 21.037 22.921 0.234 1.00 5.13 H new ATOM 0 HB2 PHE A 59 19.578 24.736 2.153 1.00 61.25 H new ATOM 0 HB3 PHE A 59 19.172 24.788 0.449 1.00 61.25 H new ATOM 0 HD1 PHE A 59 19.929 22.056 2.909 1.00 73.11 H new ATOM 0 HD2 PHE A 59 17.276 23.574 -0.058 1.00 70.21 H new ATOM 0 HE1 PHE A 59 18.485 20.090 3.199 1.00 74.34 H new ATOM 0 HE2 PHE A 59 15.829 21.609 0.230 1.00 51.25 H new ATOM 0 HZ PHE A 59 16.434 19.861 1.854 1.00 33.20 H new ATOM 916 N LYS A 60 22.965 24.816 -0.179 1.00 51.13 N ATOM 917 CA LYS A 60 23.701 25.847 -0.901 1.00 42.11 C ATOM 918 C LYS A 60 23.762 25.530 -2.392 1.00 31.42 C ATOM 919 O LYS A 60 23.071 26.151 -3.197 1.00 55.24 O ATOM 920 CB LYS A 60 25.118 25.979 -0.339 1.00 23.13 C ATOM 921 CG LYS A 60 26.010 26.904 -1.148 1.00 44.04 C ATOM 922 CD LYS A 60 27.078 26.130 -1.903 1.00 21.31 C ATOM 923 CE LYS A 60 28.386 26.903 -1.968 1.00 40.23 C ATOM 924 NZ LYS A 60 28.470 27.748 -3.192 1.00 24.31 N ATOM 0 H LYS A 60 23.520 23.997 0.068 1.00 51.13 H new ATOM 0 HA LYS A 60 23.175 26.792 -0.770 1.00 42.11 H new ATOM 0 HB2 LYS A 60 25.061 26.348 0.685 1.00 23.13 H new ATOM 0 HB3 LYS A 60 25.577 24.991 -0.297 1.00 23.13 H new ATOM 0 HG2 LYS A 60 25.403 27.471 -1.854 1.00 44.04 H new ATOM 0 HG3 LYS A 60 26.484 27.626 -0.484 1.00 44.04 H new ATOM 0 HD2 LYS A 60 27.246 25.170 -1.416 1.00 21.31 H new ATOM 0 HD3 LYS A 60 26.729 25.918 -2.914 1.00 21.31 H new ATOM 0 HE2 LYS A 60 28.480 27.534 -1.084 1.00 40.23 H new ATOM 0 HE3 LYS A 60 29.222 26.204 -1.951 1.00 40.23 H new ATOM 0 HZ1 LYS A 60 29.376 28.259 -3.200 1.00 24.31 H new ATOM 0 HZ2 LYS A 60 28.406 27.144 -4.036 1.00 24.31 H new ATOM 0 HZ3 LYS A 60 27.687 28.432 -3.196 1.00 24.31 H new ATOM 938 N GLY A 61 24.593 24.556 -2.752 1.00 4.42 N ATOM 939 CA GLY A 61 24.727 24.173 -4.145 1.00 24.21 C ATOM 940 C GLY A 61 23.397 23.822 -4.780 1.00 73.33 C ATOM 941 O GLY A 61 22.362 23.824 -4.113 1.00 61.31 O ATOM 0 H GLY A 61 25.175 24.026 -2.104 1.00 4.42 H new ATOM 0 HA2 GLY A 61 25.187 24.990 -4.701 1.00 24.21 H new ATOM 0 HA3 GLY A 61 25.399 23.318 -4.221 1.00 24.21 H new ATOM 945 N VAL A 62 23.422 23.521 -6.075 1.00 32.42 N ATOM 946 CA VAL A 62 22.208 23.166 -6.801 1.00 1.40 C ATOM 947 C VAL A 62 21.550 21.929 -6.201 1.00 62.12 C ATOM 948 O VAL A 62 22.231 20.988 -5.792 1.00 12.33 O ATOM 949 CB VAL A 62 22.501 22.908 -8.291 1.00 32.32 C ATOM 950 CG1 VAL A 62 23.163 24.122 -8.924 1.00 21.12 C ATOM 951 CG2 VAL A 62 23.370 21.670 -8.456 1.00 34.25 C ATOM 0 H VAL A 62 24.269 23.516 -6.643 1.00 32.42 H new ATOM 0 HA VAL A 62 21.528 24.013 -6.714 1.00 1.40 H new ATOM 0 HB VAL A 62 21.555 22.732 -8.804 1.00 32.32 H new ATOM 0 HG11 VAL A 62 23.362 23.920 -9.977 1.00 21.12 H new ATOM 0 HG12 VAL A 62 22.501 24.983 -8.839 1.00 21.12 H new ATOM 0 HG13 VAL A 62 24.101 24.333 -8.411 1.00 21.12 H new ATOM 0 HG21 VAL A 62 23.567 21.502 -9.515 1.00 34.25 H new ATOM 0 HG22 VAL A 62 24.313 21.815 -7.930 1.00 34.25 H new ATOM 0 HG23 VAL A 62 22.853 20.805 -8.042 1.00 34.25 H new ATOM 961 N ARG A 63 20.222 21.936 -6.153 1.00 1.21 N ATOM 962 CA ARG A 63 19.471 20.814 -5.602 1.00 44.24 C ATOM 963 C ARG A 63 18.845 19.981 -6.716 1.00 73.42 C ATOM 964 O ARG A 63 18.245 20.520 -7.646 1.00 71.24 O ATOM 965 CB ARG A 63 18.382 21.318 -4.654 1.00 3.24 C ATOM 966 CG ARG A 63 17.330 22.177 -5.336 1.00 33.42 C ATOM 967 CD ARG A 63 16.257 22.627 -4.356 1.00 62.51 C ATOM 968 NE ARG A 63 15.261 23.485 -4.991 1.00 41.12 N ATOM 969 CZ ARG A 63 14.095 23.794 -4.435 1.00 30.21 C ATOM 970 NH1 ARG A 63 13.781 23.317 -3.238 1.00 74.15 N ATOM 971 NH2 ARG A 63 13.241 24.582 -5.076 1.00 33.44 N ATOM 0 H ARG A 63 19.644 22.706 -6.489 1.00 1.21 H new ATOM 0 HA ARG A 63 20.164 20.183 -5.045 1.00 44.24 H new ATOM 0 HB2 ARG A 63 17.894 20.462 -4.188 1.00 3.24 H new ATOM 0 HB3 ARG A 63 18.847 21.895 -3.854 1.00 3.24 H new ATOM 0 HG2 ARG A 63 17.805 23.050 -5.783 1.00 33.42 H new ATOM 0 HG3 ARG A 63 16.870 21.614 -6.148 1.00 33.42 H new ATOM 0 HD2 ARG A 63 15.764 21.752 -3.931 1.00 62.51 H new ATOM 0 HD3 ARG A 63 16.723 23.163 -3.529 1.00 62.51 H new ATOM 0 HE ARG A 63 15.472 23.868 -5.912 1.00 41.12 H new ATOM 0 HH11 ARG A 63 14.435 22.712 -2.743 1.00 74.15 H new ATOM 0 HH12 ARG A 63 12.885 23.556 -2.813 1.00 74.15 H new ATOM 0 HH21 ARG A 63 13.480 24.951 -5.996 1.00 33.44 H new ATOM 0 HH22 ARG A 63 12.346 24.819 -4.648 1.00 33.44 H new ATOM 985 N ASP A 64 18.989 18.664 -6.615 1.00 35.12 N ATOM 986 CA ASP A 64 18.436 17.755 -7.613 1.00 3.30 C ATOM 987 C ASP A 64 17.192 17.053 -7.079 1.00 53.12 C ATOM 988 O ASP A 64 16.795 17.257 -5.931 1.00 64.24 O ATOM 989 CB ASP A 64 19.484 16.720 -8.026 1.00 74.10 C ATOM 990 CG ASP A 64 20.124 17.045 -9.361 1.00 40.01 C ATOM 991 OD1 ASP A 64 20.817 18.080 -9.451 1.00 1.33 O ATOM 992 OD2 ASP A 64 19.933 16.264 -10.316 1.00 70.12 O ATOM 0 H ASP A 64 19.484 18.202 -5.852 1.00 35.12 H new ATOM 0 HA ASP A 64 18.152 18.342 -8.486 1.00 3.30 H new ATOM 0 HB2 ASP A 64 20.257 16.664 -7.260 1.00 74.10 H new ATOM 0 HB3 ASP A 64 19.017 15.736 -8.080 1.00 74.10 H new ATOM 997 N PHE A 65 16.579 16.227 -7.920 1.00 35.51 N ATOM 998 CA PHE A 65 15.377 15.496 -7.533 1.00 63.45 C ATOM 999 C PHE A 65 15.225 14.223 -8.361 1.00 62.23 C ATOM 1000 O PHE A 65 15.174 14.271 -9.591 1.00 3.14 O ATOM 1001 CB PHE A 65 14.140 16.379 -7.704 1.00 51.31 C ATOM 1002 CG PHE A 65 13.969 16.909 -9.099 1.00 63.12 C ATOM 1003 CD1 PHE A 65 14.688 18.013 -9.528 1.00 10.32 C ATOM 1004 CD2 PHE A 65 13.091 16.302 -9.982 1.00 53.12 C ATOM 1005 CE1 PHE A 65 14.532 18.503 -10.811 1.00 1.02 C ATOM 1006 CE2 PHE A 65 12.931 16.787 -11.267 1.00 1.23 C ATOM 1007 CZ PHE A 65 13.654 17.889 -11.682 1.00 34.43 C ATOM 0 H PHE A 65 16.894 16.047 -8.873 1.00 35.51 H new ATOM 0 HA PHE A 65 15.474 15.217 -6.484 1.00 63.45 H new ATOM 0 HB2 PHE A 65 13.254 15.806 -7.431 1.00 51.31 H new ATOM 0 HB3 PHE A 65 14.204 17.218 -7.011 1.00 51.31 H new ATOM 0 HD1 PHE A 65 15.378 18.496 -8.852 1.00 10.32 H new ATOM 0 HD2 PHE A 65 12.525 15.440 -9.663 1.00 53.12 H new ATOM 0 HE1 PHE A 65 15.097 19.366 -11.132 1.00 1.02 H new ATOM 0 HE2 PHE A 65 12.242 16.305 -11.945 1.00 1.23 H new ATOM 0 HZ PHE A 65 13.533 18.269 -12.686 1.00 34.43 H new ATOM 1017 N TYR A 66 15.154 13.086 -7.679 1.00 20.53 N ATOM 1018 CA TYR A 66 15.011 11.799 -8.350 1.00 10.01 C ATOM 1019 C TYR A 66 13.572 11.298 -8.267 1.00 42.30 C ATOM 1020 O TYR A 66 12.864 11.564 -7.295 1.00 52.44 O ATOM 1021 CB TYR A 66 15.958 10.769 -7.731 1.00 15.21 C ATOM 1022 CG TYR A 66 17.133 10.419 -8.615 1.00 2.22 C ATOM 1023 CD1 TYR A 66 16.940 9.925 -9.899 1.00 13.31 C ATOM 1024 CD2 TYR A 66 18.438 10.583 -8.166 1.00 10.41 C ATOM 1025 CE1 TYR A 66 18.011 9.604 -10.709 1.00 60.55 C ATOM 1026 CE2 TYR A 66 19.515 10.266 -8.970 1.00 64.41 C ATOM 1027 CZ TYR A 66 19.297 9.776 -10.241 1.00 32.42 C ATOM 1028 OH TYR A 66 20.367 9.458 -11.046 1.00 34.43 O ATOM 0 H TYR A 66 15.193 13.029 -6.661 1.00 20.53 H new ATOM 0 HA TYR A 66 15.269 11.935 -9.400 1.00 10.01 H new ATOM 0 HB2 TYR A 66 16.330 11.154 -6.782 1.00 15.21 H new ATOM 0 HB3 TYR A 66 15.398 9.861 -7.509 1.00 15.21 H new ATOM 0 HD1 TYR A 66 15.935 9.790 -10.270 1.00 13.31 H new ATOM 0 HD2 TYR A 66 18.613 10.965 -7.171 1.00 10.41 H new ATOM 0 HE1 TYR A 66 17.843 9.220 -11.704 1.00 60.55 H new ATOM 0 HE2 TYR A 66 20.523 10.401 -8.606 1.00 64.41 H new ATOM 0 HH TYR A 66 21.202 9.639 -10.566 1.00 34.43 H new ATOM 1038 N THR A 67 13.146 10.570 -9.294 1.00 72.03 N ATOM 1039 CA THR A 67 11.792 10.031 -9.340 1.00 4.51 C ATOM 1040 C THR A 67 11.767 8.666 -10.016 1.00 74.42 C ATOM 1041 O THR A 67 10.741 8.247 -10.553 1.00 13.24 O ATOM 1042 CB THR A 67 10.835 10.980 -10.087 1.00 24.42 C ATOM 1043 OG1 THR A 67 11.388 11.330 -11.361 1.00 31.15 O ATOM 1044 CG2 THR A 67 10.580 12.241 -9.275 1.00 21.40 C ATOM 0 H THR A 67 13.719 10.340 -10.106 1.00 72.03 H new ATOM 0 HA THR A 67 11.457 9.928 -8.308 1.00 4.51 H new ATOM 0 HB THR A 67 9.886 10.463 -10.233 1.00 24.42 H new ATOM 0 HG1 THR A 67 10.773 11.932 -11.830 1.00 31.15 H new ATOM 0 HG21 THR A 67 9.902 12.895 -9.823 1.00 21.40 H new ATOM 0 HG22 THR A 67 10.132 11.973 -8.318 1.00 21.40 H new ATOM 0 HG23 THR A 67 11.523 12.759 -9.102 1.00 21.40 H new ATOM 1052 N SER A 68 12.901 7.974 -9.987 1.00 4.15 N ATOM 1053 CA SER A 68 13.009 6.656 -10.600 1.00 24.41 C ATOM 1054 C SER A 68 14.228 5.907 -10.068 1.00 13.02 C ATOM 1055 O SER A 68 15.158 6.512 -9.536 1.00 3.43 O ATOM 1056 CB SER A 68 13.100 6.784 -12.122 1.00 31.43 C ATOM 1057 OG SER A 68 14.284 7.460 -12.507 1.00 51.40 O ATOM 0 H SER A 68 13.759 8.305 -9.545 1.00 4.15 H new ATOM 0 HA SER A 68 12.115 6.089 -10.343 1.00 24.41 H new ATOM 0 HB2 SER A 68 13.080 5.793 -12.575 1.00 31.43 H new ATOM 0 HB3 SER A 68 12.231 7.324 -12.497 1.00 31.43 H new ATOM 0 HG SER A 68 14.319 7.527 -13.484 1.00 51.40 H new ATOM 1063 N ASP A 69 14.214 4.587 -10.215 1.00 72.05 N ATOM 1064 CA ASP A 69 15.317 3.754 -9.751 1.00 42.02 C ATOM 1065 C ASP A 69 16.651 4.280 -10.271 1.00 4.52 C ATOM 1066 O ASP A 69 16.903 4.281 -11.475 1.00 61.33 O ATOM 1067 CB ASP A 69 15.116 2.306 -10.201 1.00 51.34 C ATOM 1068 CG ASP A 69 15.953 1.329 -9.400 1.00 32.13 C ATOM 1069 OD1 ASP A 69 16.144 1.566 -8.189 1.00 11.31 O ATOM 1070 OD2 ASP A 69 16.417 0.327 -9.983 1.00 45.23 O ATOM 0 H ASP A 69 13.451 4.071 -10.652 1.00 72.05 H new ATOM 0 HA ASP A 69 15.332 3.789 -8.662 1.00 42.02 H new ATOM 0 HB2 ASP A 69 14.063 2.042 -10.105 1.00 51.34 H new ATOM 0 HB3 ASP A 69 15.371 2.218 -11.257 1.00 51.34 H new ATOM 1075 N ALA A 70 17.502 4.729 -9.354 1.00 2.13 N ATOM 1076 CA ALA A 70 18.811 5.257 -9.719 1.00 53.41 C ATOM 1077 C ALA A 70 19.928 4.341 -9.232 1.00 2.42 C ATOM 1078 O ALA A 70 20.288 4.357 -8.055 1.00 52.30 O ATOM 1079 CB ALA A 70 18.990 6.659 -9.155 1.00 24.25 C ATOM 0 H ALA A 70 17.308 4.738 -8.353 1.00 2.13 H new ATOM 0 HA ALA A 70 18.866 5.305 -10.807 1.00 53.41 H new ATOM 0 HB1 ALA A 70 19.972 7.041 -9.435 1.00 24.25 H new ATOM 0 HB2 ALA A 70 18.217 7.314 -9.557 1.00 24.25 H new ATOM 0 HB3 ALA A 70 18.910 6.627 -8.068 1.00 24.25 H new ATOM 1085 N ALA A 71 20.473 3.543 -10.144 1.00 40.42 N ATOM 1086 CA ALA A 71 21.551 2.621 -9.807 1.00 55.41 C ATOM 1087 C ALA A 71 22.814 3.376 -9.409 1.00 3.22 C ATOM 1088 O ALA A 71 23.691 2.827 -8.743 1.00 4.32 O ATOM 1089 CB ALA A 71 21.835 1.692 -10.977 1.00 64.15 C ATOM 0 H ALA A 71 20.186 3.516 -11.122 1.00 40.42 H new ATOM 0 HA ALA A 71 21.232 2.024 -8.953 1.00 55.41 H new ATOM 0 HB1 ALA A 71 22.642 1.009 -10.712 1.00 64.15 H new ATOM 0 HB2 ALA A 71 20.938 1.120 -11.213 1.00 64.15 H new ATOM 0 HB3 ALA A 71 22.129 2.281 -11.846 1.00 64.15 H new ATOM 1095 N GLU A 72 22.900 4.637 -9.822 1.00 22.13 N ATOM 1096 CA GLU A 72 24.059 5.465 -9.508 1.00 55.44 C ATOM 1097 C GLU A 72 23.632 6.757 -8.817 1.00 3.30 C ATOM 1098 O GLU A 72 22.952 7.596 -9.409 1.00 14.24 O ATOM 1099 CB GLU A 72 24.841 5.790 -10.783 1.00 11.14 C ATOM 1100 CG GLU A 72 26.347 5.685 -10.615 1.00 64.24 C ATOM 1101 CD GLU A 72 27.070 6.951 -11.031 1.00 45.14 C ATOM 1102 OE1 GLU A 72 26.859 7.996 -10.382 1.00 4.34 O ATOM 1103 OE2 GLU A 72 27.848 6.896 -12.007 1.00 40.22 O ATOM 0 H GLU A 72 22.182 5.107 -10.374 1.00 22.13 H new ATOM 0 HA GLU A 72 24.702 4.905 -8.829 1.00 55.44 H new ATOM 0 HB2 GLU A 72 24.524 5.113 -11.576 1.00 11.14 H new ATOM 0 HB3 GLU A 72 24.589 6.800 -11.106 1.00 11.14 H new ATOM 0 HG2 GLU A 72 26.578 5.465 -9.573 1.00 64.24 H new ATOM 0 HG3 GLU A 72 26.717 4.848 -11.207 1.00 64.24 H new ATOM 1110 N LEU A 73 24.037 6.910 -7.561 1.00 10.20 N ATOM 1111 CA LEU A 73 23.697 8.099 -6.787 1.00 44.32 C ATOM 1112 C LEU A 73 24.054 9.369 -7.554 1.00 72.55 C ATOM 1113 O LEU A 73 25.119 9.458 -8.165 1.00 2.55 O ATOM 1114 CB LEU A 73 24.425 8.082 -5.442 1.00 23.41 C ATOM 1115 CG LEU A 73 23.887 9.035 -4.375 1.00 10.32 C ATOM 1116 CD1 LEU A 73 24.261 10.472 -4.705 1.00 70.11 C ATOM 1117 CD2 LEU A 73 22.378 8.892 -4.244 1.00 33.22 C ATOM 0 H LEU A 73 24.601 6.226 -7.057 1.00 10.20 H new ATOM 0 HA LEU A 73 22.621 8.092 -6.612 1.00 44.32 H new ATOM 0 HB2 LEU A 73 24.390 7.067 -5.045 1.00 23.41 H new ATOM 0 HB3 LEU A 73 25.474 8.319 -5.617 1.00 23.41 H new ATOM 0 HG LEU A 73 24.341 8.773 -3.419 1.00 10.32 H new ATOM 0 HD11 LEU A 73 23.869 11.136 -3.934 1.00 70.11 H new ATOM 0 HD12 LEU A 73 25.346 10.565 -4.747 1.00 70.11 H new ATOM 0 HD13 LEU A 73 23.836 10.746 -5.670 1.00 70.11 H new ATOM 0 HD21 LEU A 73 22.012 9.578 -3.480 1.00 33.22 H new ATOM 0 HD22 LEU A 73 21.906 9.127 -5.198 1.00 33.22 H new ATOM 0 HD23 LEU A 73 22.133 7.869 -3.960 1.00 33.22 H new ATOM 1129 N SER A 74 23.156 10.348 -7.518 1.00 1.15 N ATOM 1130 CA SER A 74 23.375 11.612 -8.211 1.00 1.13 C ATOM 1131 C SER A 74 24.749 12.185 -7.875 1.00 73.10 C ATOM 1132 O SER A 74 25.023 12.537 -6.728 1.00 22.44 O ATOM 1133 CB SER A 74 22.285 12.619 -7.837 1.00 21.50 C ATOM 1134 OG SER A 74 22.178 13.640 -8.813 1.00 53.12 O ATOM 0 H SER A 74 22.270 10.290 -7.016 1.00 1.15 H new ATOM 0 HA SER A 74 23.332 11.422 -9.283 1.00 1.13 H new ATOM 0 HB2 SER A 74 21.329 12.105 -7.738 1.00 21.50 H new ATOM 0 HB3 SER A 74 22.511 13.061 -6.867 1.00 21.50 H new ATOM 0 HG SER A 74 21.474 14.270 -8.552 1.00 53.12 H new ATOM 1140 N ARG A 75 25.608 12.275 -8.885 1.00 10.42 N ATOM 1141 CA ARG A 75 26.954 12.804 -8.698 1.00 32.02 C ATOM 1142 C ARG A 75 27.764 11.911 -7.763 1.00 33.41 C ATOM 1143 O ARG A 75 27.218 11.020 -7.111 1.00 54.31 O ATOM 1144 CB ARG A 75 26.893 14.226 -8.136 1.00 72.33 C ATOM 1145 CG ARG A 75 25.936 15.137 -8.887 1.00 74.43 C ATOM 1146 CD ARG A 75 26.445 15.448 -10.286 1.00 10.52 C ATOM 1147 NE ARG A 75 26.035 14.437 -11.256 1.00 23.41 N ATOM 1148 CZ ARG A 75 24.784 14.286 -11.677 1.00 45.21 C ATOM 1149 NH1 ARG A 75 23.826 15.078 -11.216 1.00 44.31 N ATOM 1150 NH2 ARG A 75 24.490 13.342 -12.562 1.00 1.12 N ATOM 0 H ARG A 75 25.396 11.989 -9.841 1.00 10.42 H new ATOM 0 HA ARG A 75 27.447 12.825 -9.670 1.00 32.02 H new ATOM 0 HB2 ARG A 75 26.593 14.181 -7.089 1.00 72.33 H new ATOM 0 HB3 ARG A 75 27.892 14.661 -8.163 1.00 72.33 H new ATOM 0 HG2 ARG A 75 24.957 14.663 -8.952 1.00 74.43 H new ATOM 0 HG3 ARG A 75 25.805 16.066 -8.332 1.00 74.43 H new ATOM 0 HD2 ARG A 75 26.071 16.423 -10.599 1.00 10.52 H new ATOM 0 HD3 ARG A 75 27.533 15.514 -10.269 1.00 10.52 H new ATOM 0 HE ARG A 75 26.748 13.812 -11.631 1.00 23.41 H new ATOM 0 HH11 ARG A 75 24.049 15.805 -10.536 1.00 44.31 H new ATOM 0 HH12 ARG A 75 22.866 14.960 -11.541 1.00 44.31 H new ATOM 0 HH21 ARG A 75 25.225 12.732 -12.920 1.00 1.12 H new ATOM 0 HH22 ARG A 75 23.529 13.227 -12.885 1.00 1.12 H new ATOM 1164 N ASP A 76 29.068 12.154 -7.703 1.00 42.42 N ATOM 1165 CA ASP A 76 29.954 11.373 -6.848 1.00 33.31 C ATOM 1166 C ASP A 76 29.442 11.352 -5.411 1.00 4.02 C ATOM 1167 O ASP A 76 28.692 12.234 -4.996 1.00 40.20 O ATOM 1168 CB ASP A 76 31.372 11.943 -6.889 1.00 43.15 C ATOM 1169 CG ASP A 76 32.184 11.393 -8.046 1.00 12.11 C ATOM 1170 OD1 ASP A 76 31.998 10.207 -8.391 1.00 12.13 O ATOM 1171 OD2 ASP A 76 33.004 12.149 -8.607 1.00 22.11 O ATOM 0 H ASP A 76 29.536 12.887 -8.237 1.00 42.42 H new ATOM 0 HA ASP A 76 29.972 10.350 -7.224 1.00 33.31 H new ATOM 0 HB2 ASP A 76 31.322 13.029 -6.968 1.00 43.15 H new ATOM 0 HB3 ASP A 76 31.880 11.715 -5.952 1.00 43.15 H new ATOM 1176 N ASN A 77 29.853 10.338 -4.656 1.00 65.03 N ATOM 1177 CA ASN A 77 29.436 10.201 -3.266 1.00 15.42 C ATOM 1178 C ASN A 77 29.661 11.501 -2.500 1.00 1.32 C ATOM 1179 O ASN A 77 30.797 11.862 -2.189 1.00 74.13 O ATOM 1180 CB ASN A 77 30.199 9.060 -2.592 1.00 25.13 C ATOM 1181 CG ASN A 77 30.239 7.807 -3.445 1.00 52.13 C ATOM 1182 OD1 ASN A 77 29.250 7.447 -4.084 1.00 62.34 O ATOM 1183 ND2 ASN A 77 31.385 7.136 -3.459 1.00 51.50 N ATOM 0 H ASN A 77 30.475 9.599 -4.984 1.00 65.03 H new ATOM 0 HA ASN A 77 28.370 9.972 -3.254 1.00 15.42 H new ATOM 0 HB2 ASN A 77 31.218 9.384 -2.379 1.00 25.13 H new ATOM 0 HB3 ASN A 77 29.731 8.830 -1.635 1.00 25.13 H new ATOM 0 HD21 ASN A 77 31.471 6.285 -4.015 1.00 51.50 H new ATOM 0 HD22 ASN A 77 32.179 7.471 -2.914 1.00 51.50 H new ATOM 1190 N ASP A 78 28.572 12.200 -2.198 1.00 4.11 N ATOM 1191 CA ASP A 78 28.650 13.459 -1.467 1.00 4.34 C ATOM 1192 C ASP A 78 27.258 14.032 -1.221 1.00 1.31 C ATOM 1193 O ASP A 78 27.069 15.248 -1.216 1.00 14.23 O ATOM 1194 CB ASP A 78 29.502 14.469 -2.237 1.00 4.20 C ATOM 1195 CG ASP A 78 30.378 15.304 -1.323 1.00 51.45 C ATOM 1196 OD1 ASP A 78 30.961 14.735 -0.377 1.00 3.20 O ATOM 1197 OD2 ASP A 78 30.480 16.527 -1.556 1.00 24.15 O ATOM 0 H ASP A 78 27.625 11.916 -2.448 1.00 4.11 H new ATOM 0 HA ASP A 78 29.118 13.262 -0.502 1.00 4.34 H new ATOM 0 HB2 ASP A 78 30.130 13.939 -2.953 1.00 4.20 H new ATOM 0 HB3 ASP A 78 28.850 15.127 -2.811 1.00 4.20 H new ATOM 1202 N ALA A 79 26.287 13.148 -1.019 1.00 30.21 N ATOM 1203 CA ALA A 79 24.913 13.565 -0.772 1.00 15.41 C ATOM 1204 C ALA A 79 24.749 14.106 0.644 1.00 2.34 C ATOM 1205 O ALA A 79 24.432 13.361 1.571 1.00 33.31 O ATOM 1206 CB ALA A 79 23.958 12.405 -1.009 1.00 74.12 C ATOM 0 H ALA A 79 26.427 12.138 -1.022 1.00 30.21 H new ATOM 0 HA ALA A 79 24.673 14.367 -1.470 1.00 15.41 H new ATOM 0 HB1 ALA A 79 22.935 12.731 -0.821 1.00 74.12 H new ATOM 0 HB2 ALA A 79 24.046 12.066 -2.041 1.00 74.12 H new ATOM 0 HB3 ALA A 79 24.207 11.585 -0.335 1.00 74.12 H new ATOM 1212 N SER A 80 24.969 15.407 0.805 1.00 11.31 N ATOM 1213 CA SER A 80 24.850 16.047 2.110 1.00 4.11 C ATOM 1214 C SER A 80 23.514 15.706 2.763 1.00 3.10 C ATOM 1215 O SER A 80 23.471 15.116 3.843 1.00 40.34 O ATOM 1216 CB SER A 80 24.991 17.564 1.973 1.00 42.35 C ATOM 1217 OG SER A 80 24.815 18.208 3.223 1.00 44.24 O ATOM 0 H SER A 80 25.231 16.039 0.048 1.00 11.31 H new ATOM 0 HA SER A 80 25.652 15.671 2.745 1.00 4.11 H new ATOM 0 HB2 SER A 80 25.975 17.806 1.571 1.00 42.35 H new ATOM 0 HB3 SER A 80 24.255 17.938 1.261 1.00 42.35 H new ATOM 0 HG SER A 80 25.579 18.010 3.804 1.00 44.24 H new ATOM 1223 N SER A 81 22.426 16.082 2.100 1.00 74.05 N ATOM 1224 CA SER A 81 21.087 15.820 2.616 1.00 43.11 C ATOM 1225 C SER A 81 20.154 15.362 1.499 1.00 22.12 C ATOM 1226 O SER A 81 20.406 15.615 0.321 1.00 13.50 O ATOM 1227 CB SER A 81 20.522 17.074 3.286 1.00 31.21 C ATOM 1228 OG SER A 81 19.106 17.087 3.232 1.00 71.50 O ATOM 0 H SER A 81 22.445 16.569 1.204 1.00 74.05 H new ATOM 0 HA SER A 81 21.159 15.022 3.355 1.00 43.11 H new ATOM 0 HB2 SER A 81 20.850 17.114 4.325 1.00 31.21 H new ATOM 0 HB3 SER A 81 20.916 17.963 2.793 1.00 31.21 H new ATOM 0 HG SER A 81 18.749 17.415 4.084 1.00 71.50 H new ATOM 1234 N VAL A 82 19.075 14.685 1.879 1.00 70.03 N ATOM 1235 CA VAL A 82 18.102 14.191 0.911 1.00 45.50 C ATOM 1236 C VAL A 82 16.677 14.453 1.382 1.00 15.53 C ATOM 1237 O VAL A 82 16.438 14.696 2.565 1.00 34.35 O ATOM 1238 CB VAL A 82 18.279 12.682 0.658 1.00 53.41 C ATOM 1239 CG1 VAL A 82 18.454 12.407 -0.828 1.00 22.13 C ATOM 1240 CG2 VAL A 82 19.459 12.144 1.452 1.00 64.25 C ATOM 0 H VAL A 82 18.852 14.466 2.850 1.00 70.03 H new ATOM 0 HA VAL A 82 18.279 14.731 -0.019 1.00 45.50 H new ATOM 0 HB VAL A 82 17.380 12.166 0.994 1.00 53.41 H new ATOM 0 HG11 VAL A 82 18.578 11.336 -0.988 1.00 22.13 H new ATOM 0 HG12 VAL A 82 17.574 12.755 -1.369 1.00 22.13 H new ATOM 0 HG13 VAL A 82 19.336 12.933 -1.194 1.00 22.13 H new ATOM 0 HG21 VAL A 82 19.569 11.076 1.261 1.00 64.25 H new ATOM 0 HG22 VAL A 82 20.368 12.663 1.149 1.00 64.25 H new ATOM 0 HG23 VAL A 82 19.286 12.307 2.516 1.00 64.25 H new ATOM 1250 N ARG A 83 15.732 14.403 0.449 1.00 71.12 N ATOM 1251 CA ARG A 83 14.329 14.635 0.768 1.00 14.55 C ATOM 1252 C ARG A 83 13.445 13.552 0.157 1.00 51.20 C ATOM 1253 O ARG A 83 13.793 12.954 -0.861 1.00 73.02 O ATOM 1254 CB ARG A 83 13.890 16.011 0.264 1.00 11.51 C ATOM 1255 CG ARG A 83 13.423 16.945 1.369 1.00 23.11 C ATOM 1256 CD ARG A 83 13.612 18.404 0.983 1.00 74.42 C ATOM 1257 NE ARG A 83 12.672 19.280 1.678 1.00 60.54 N ATOM 1258 CZ ARG A 83 12.543 20.575 1.414 1.00 14.00 C ATOM 1259 NH1 ARG A 83 13.289 21.142 0.476 1.00 75.22 N ATOM 1260 NH2 ARG A 83 11.665 21.306 2.089 1.00 1.33 N ATOM 0 H ARG A 83 15.913 14.204 -0.535 1.00 71.12 H new ATOM 0 HA ARG A 83 14.219 14.600 1.852 1.00 14.55 H new ATOM 0 HB2 ARG A 83 14.721 16.476 -0.266 1.00 11.51 H new ATOM 0 HB3 ARG A 83 13.083 15.884 -0.457 1.00 11.51 H new ATOM 0 HG2 ARG A 83 12.371 16.758 1.584 1.00 23.11 H new ATOM 0 HG3 ARG A 83 13.978 16.735 2.283 1.00 23.11 H new ATOM 0 HD2 ARG A 83 14.632 18.711 1.214 1.00 74.42 H new ATOM 0 HD3 ARG A 83 13.482 18.514 -0.094 1.00 74.42 H new ATOM 0 HE ARG A 83 12.083 18.875 2.405 1.00 60.54 H new ATOM 0 HH11 ARG A 83 13.965 20.583 -0.045 1.00 75.22 H new ATOM 0 HH12 ARG A 83 13.187 22.137 0.276 1.00 75.22 H new ATOM 0 HH21 ARG A 83 11.089 20.873 2.811 1.00 1.33 H new ATOM 0 HH22 ARG A 83 11.566 22.301 1.886 1.00 1.33 H new ATOM 1274 N VAL A 84 12.300 13.305 0.786 1.00 62.42 N ATOM 1275 CA VAL A 84 11.366 12.294 0.304 1.00 42.12 C ATOM 1276 C VAL A 84 9.930 12.803 0.358 1.00 21.33 C ATOM 1277 O VAL A 84 9.540 13.492 1.301 1.00 71.51 O ATOM 1278 CB VAL A 84 11.471 10.996 1.126 1.00 71.45 C ATOM 1279 CG1 VAL A 84 11.527 11.308 2.613 1.00 20.11 C ATOM 1280 CG2 VAL A 84 10.305 10.071 0.810 1.00 21.41 C ATOM 0 H VAL A 84 11.997 13.791 1.630 1.00 62.42 H new ATOM 0 HA VAL A 84 11.634 12.082 -0.731 1.00 42.12 H new ATOM 0 HB VAL A 84 12.395 10.486 0.852 1.00 71.45 H new ATOM 0 HG11 VAL A 84 11.601 10.378 3.177 1.00 20.11 H new ATOM 0 HG12 VAL A 84 12.398 11.930 2.822 1.00 20.11 H new ATOM 0 HG13 VAL A 84 10.622 11.840 2.907 1.00 20.11 H new ATOM 0 HG21 VAL A 84 10.394 9.158 1.399 1.00 21.41 H new ATOM 0 HG22 VAL A 84 9.368 10.571 1.055 1.00 21.41 H new ATOM 0 HG23 VAL A 84 10.316 9.820 -0.251 1.00 21.41 H new ATOM 1290 N SER A 85 9.147 12.458 -0.659 1.00 0.00 N ATOM 1291 CA SER A 85 7.754 12.882 -0.729 1.00 53.41 C ATOM 1292 C SER A 85 6.968 12.008 -1.702 1.00 11.50 C ATOM 1293 O SER A 85 7.257 11.975 -2.898 1.00 64.12 O ATOM 1294 CB SER A 85 7.666 14.348 -1.158 1.00 10.43 C ATOM 1295 OG SER A 85 8.602 15.143 -0.451 1.00 1.34 O ATOM 0 H SER A 85 9.454 11.886 -1.446 1.00 0.00 H new ATOM 0 HA SER A 85 7.317 12.774 0.264 1.00 53.41 H new ATOM 0 HB2 SER A 85 7.851 14.429 -2.229 1.00 10.43 H new ATOM 0 HB3 SER A 85 6.658 14.722 -0.980 1.00 10.43 H new ATOM 0 HG SER A 85 8.736 14.771 0.445 1.00 1.34 H new ATOM 1301 N LYS A 86 5.971 11.302 -1.180 1.00 24.42 N ATOM 1302 CA LYS A 86 5.141 10.427 -2.000 1.00 1.42 C ATOM 1303 C LYS A 86 4.117 11.235 -2.791 1.00 63.34 C ATOM 1304 O LYS A 86 3.269 11.914 -2.215 1.00 34.15 O ATOM 1305 CB LYS A 86 4.426 9.398 -1.122 1.00 0.03 C ATOM 1306 CG LYS A 86 5.321 8.774 -0.065 1.00 33.30 C ATOM 1307 CD LYS A 86 4.566 7.755 0.774 1.00 44.54 C ATOM 1308 CE LYS A 86 3.470 8.414 1.597 1.00 4.13 C ATOM 1309 NZ LYS A 86 3.362 7.814 2.956 1.00 15.51 N ATOM 0 H LYS A 86 5.718 11.319 -0.192 1.00 24.42 H new ATOM 0 HA LYS A 86 5.790 9.906 -2.704 1.00 1.42 H new ATOM 0 HB2 LYS A 86 3.579 9.877 -0.632 1.00 0.03 H new ATOM 0 HB3 LYS A 86 4.023 8.609 -1.757 1.00 0.03 H new ATOM 0 HG2 LYS A 86 6.172 8.292 -0.546 1.00 33.30 H new ATOM 0 HG3 LYS A 86 5.721 9.555 0.582 1.00 33.30 H new ATOM 0 HD2 LYS A 86 4.128 6.998 0.123 1.00 44.54 H new ATOM 0 HD3 LYS A 86 5.262 7.241 1.437 1.00 44.54 H new ATOM 0 HE2 LYS A 86 3.674 9.481 1.686 1.00 4.13 H new ATOM 0 HE3 LYS A 86 2.516 8.314 1.079 1.00 4.13 H new ATOM 0 HZ1 LYS A 86 2.604 8.290 3.486 1.00 15.51 H new ATOM 0 HZ2 LYS A 86 3.142 6.801 2.872 1.00 15.51 H new ATOM 0 HZ3 LYS A 86 4.264 7.932 3.460 1.00 15.51 H new ATOM 1323 N MET A 87 4.203 11.154 -4.115 1.00 53.53 N ATOM 1324 CA MET A 87 3.281 11.876 -4.985 1.00 43.12 C ATOM 1325 C MET A 87 2.078 11.009 -5.341 1.00 71.14 C ATOM 1326 O MET A 87 1.879 9.941 -4.763 1.00 13.42 O ATOM 1327 CB MET A 87 3.996 12.325 -6.261 1.00 5.11 C ATOM 1328 CG MET A 87 3.624 13.730 -6.704 1.00 55.52 C ATOM 1329 SD MET A 87 4.699 14.991 -5.994 1.00 11.24 S ATOM 1330 CE MET A 87 3.539 16.336 -5.765 1.00 15.31 C ATOM 0 H MET A 87 4.900 10.597 -4.608 1.00 53.53 H new ATOM 0 HA MET A 87 2.926 12.755 -4.447 1.00 43.12 H new ATOM 0 HB2 MET A 87 5.073 12.277 -6.100 1.00 5.11 H new ATOM 0 HB3 MET A 87 3.762 11.626 -7.064 1.00 5.11 H new ATOM 0 HG2 MET A 87 3.672 13.788 -7.791 1.00 55.52 H new ATOM 0 HG3 MET A 87 2.592 13.935 -6.419 1.00 55.52 H new ATOM 0 HE1 MET A 87 4.056 17.192 -5.332 1.00 15.31 H new ATOM 0 HE2 MET A 87 3.114 16.618 -6.728 1.00 15.31 H new ATOM 0 HE3 MET A 87 2.740 16.017 -5.095 1.00 15.31 H new ATOM 1340 N GLU A 88 1.279 11.476 -6.296 1.00 64.43 N ATOM 1341 CA GLU A 88 0.095 10.742 -6.727 1.00 64.23 C ATOM 1342 C GLU A 88 -0.889 10.571 -5.574 1.00 1.32 C ATOM 1343 O GLU A 88 -1.769 9.710 -5.614 1.00 44.44 O ATOM 1344 CB GLU A 88 0.491 9.372 -7.281 1.00 61.54 C ATOM 1345 CG GLU A 88 0.114 9.173 -8.740 1.00 34.43 C ATOM 1346 CD GLU A 88 -0.236 7.732 -9.061 1.00 3.33 C ATOM 1347 OE1 GLU A 88 0.131 6.841 -8.267 1.00 1.13 O ATOM 1348 OE2 GLU A 88 -0.877 7.497 -10.107 1.00 25.15 O ATOM 0 H GLU A 88 1.430 12.358 -6.785 1.00 64.43 H new ATOM 0 HA GLU A 88 -0.391 11.318 -7.514 1.00 64.23 H new ATOM 0 HB2 GLU A 88 1.568 9.243 -7.172 1.00 61.54 H new ATOM 0 HB3 GLU A 88 0.015 8.596 -6.682 1.00 61.54 H new ATOM 0 HG2 GLU A 88 -0.735 9.812 -8.982 1.00 34.43 H new ATOM 0 HG3 GLU A 88 0.943 9.491 -9.372 1.00 34.43 H new ATOM 1355 N THR A 89 -0.734 11.398 -4.544 1.00 60.01 N ATOM 1356 CA THR A 89 -1.607 11.339 -3.378 1.00 65.43 C ATOM 1357 C THR A 89 -2.490 12.578 -3.289 1.00 72.43 C ATOM 1358 O THR A 89 -3.598 12.526 -2.753 1.00 42.44 O ATOM 1359 CB THR A 89 -0.795 11.206 -2.076 1.00 33.14 C ATOM 1360 OG1 THR A 89 0.447 11.906 -2.199 1.00 4.51 O ATOM 1361 CG2 THR A 89 -0.529 9.744 -1.751 1.00 20.23 C ATOM 0 H THR A 89 -0.012 12.117 -4.494 1.00 60.01 H new ATOM 0 HA THR A 89 -2.236 10.457 -3.498 1.00 65.43 H new ATOM 0 HB THR A 89 -1.378 11.642 -1.265 1.00 33.14 H new ATOM 0 HG1 THR A 89 1.190 11.272 -2.112 1.00 4.51 H new ATOM 0 HG21 THR A 89 0.046 9.675 -0.827 1.00 20.23 H new ATOM 0 HG22 THR A 89 -1.477 9.220 -1.628 1.00 20.23 H new ATOM 0 HG23 THR A 89 0.035 9.287 -2.564 1.00 20.23 H new ATOM 1369 N THR A 90 -1.994 13.692 -3.818 1.00 73.15 N ATOM 1370 CA THR A 90 -2.739 14.945 -3.798 1.00 62.43 C ATOM 1371 C THR A 90 -3.582 15.104 -5.058 1.00 62.43 C ATOM 1372 O THR A 90 -3.083 14.956 -6.173 1.00 23.51 O ATOM 1373 CB THR A 90 -1.796 16.156 -3.669 1.00 13.14 C ATOM 1374 OG1 THR A 90 -0.883 16.187 -4.771 1.00 74.13 O ATOM 1375 CG2 THR A 90 -1.019 16.100 -2.362 1.00 35.11 C ATOM 0 H THR A 90 -1.079 13.752 -4.266 1.00 73.15 H new ATOM 0 HA THR A 90 -3.395 14.909 -2.928 1.00 62.43 H new ATOM 0 HB THR A 90 -2.402 17.062 -3.675 1.00 13.14 H new ATOM 0 HG1 THR A 90 -1.306 15.783 -5.558 1.00 74.13 H new ATOM 0 HG21 THR A 90 -0.360 16.965 -2.293 1.00 35.11 H new ATOM 0 HG22 THR A 90 -1.716 16.107 -1.524 1.00 35.11 H new ATOM 0 HG23 THR A 90 -0.424 15.187 -2.331 1.00 35.11 H new ATOM 1383 N ASN A 91 -4.863 15.407 -4.874 1.00 24.25 N ATOM 1384 CA ASN A 91 -5.775 15.586 -5.997 1.00 13.22 C ATOM 1385 C ASN A 91 -6.242 17.035 -6.092 1.00 54.50 C ATOM 1386 O ASN A 91 -5.956 17.849 -5.214 1.00 34.23 O ATOM 1387 CB ASN A 91 -6.983 14.658 -5.853 1.00 21.22 C ATOM 1388 CG ASN A 91 -7.621 14.327 -7.188 1.00 45.25 C ATOM 1389 OD1 ASN A 91 -8.830 14.475 -7.365 1.00 21.40 O ATOM 1390 ND2 ASN A 91 -6.807 13.877 -8.137 1.00 12.21 N ATOM 0 H ASN A 91 -5.293 15.534 -3.958 1.00 24.25 H new ATOM 0 HA ASN A 91 -5.239 15.334 -6.912 1.00 13.22 H new ATOM 0 HB2 ASN A 91 -6.672 13.735 -5.363 1.00 21.22 H new ATOM 0 HB3 ASN A 91 -7.724 15.128 -5.206 1.00 21.22 H new ATOM 0 HD21 ASN A 91 -7.178 13.639 -9.057 1.00 12.21 H new ATOM 0 HD22 ASN A 91 -5.811 13.770 -7.946 1.00 12.21 H new TER 1397 ASN A 91