USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= -0.681 USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ -148:sc= 0.0188 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.41) USER MOD Single : A 11 TYR OH : rot -63:sc= 0.908 USER MOD Single : A 17 SER OG : rot 119:sc= 0.398 USER MOD Single : A 19 THR OG1 : rot -100:sc= 0 USER MOD Single : A 20 MET CE :methyl -131:sc= -0.008 (180deg=-0.464) USER MOD Single : A 22 TYR OH : rot -121:sc= -0.0398 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00432) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.42) USER MOD Single : A 54 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.7!) USER MOD Single : A 56 ASN :FLIP amide:sc= -6.6! C(o=-11!,f=-6.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 159:sc= -1.76 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.485 (180deg=-1.02) USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.362 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.540 0.912 -1.109 1.00 63.14 N ATOM 2 CA CYS A 1 2.249 0.682 -2.357 1.00 3.03 C ATOM 3 C CYS A 1 1.739 -0.626 -2.965 1.00 51.55 C ATOM 4 O CYS A 1 2.297 -1.692 -2.712 1.00 44.24 O ATOM 5 CB CYS A 1 3.765 0.662 -2.150 1.00 42.03 C ATOM 6 SG CYS A 1 4.382 -0.723 -1.126 1.00 71.41 S ATOM 0 H1 CYS A 1 1.429 1.935 -0.956 1.00 63.14 H new ATOM 0 H2 CYS A 1 0.602 0.465 -1.155 1.00 63.14 H new ATOM 0 H3 CYS A 1 2.081 0.501 -0.322 1.00 63.14 H new ATOM 0 HA CYS A 1 2.053 1.503 -3.047 1.00 3.03 H new ATOM 0 HB2 CYS A 1 4.250 0.618 -3.125 1.00 42.03 H new ATOM 0 HB3 CYS A 1 4.066 1.601 -1.686 1.00 42.03 H new ATOM 11 N TYR A 2 0.683 -0.500 -3.756 1.00 64.44 N ATOM 12 CA TYR A 2 0.091 -1.659 -4.403 1.00 64.13 C ATOM 13 C TYR A 2 1.092 -2.333 -5.345 1.00 1.54 C ATOM 14 O TYR A 2 2.020 -1.690 -5.833 1.00 1.52 O ATOM 15 CB TYR A 2 -1.085 -1.128 -5.224 1.00 73.34 C ATOM 16 CG TYR A 2 -2.219 -0.543 -4.380 1.00 52.24 C ATOM 17 CD1 TYR A 2 -3.135 -1.381 -3.779 1.00 35.44 C ATOM 18 CD2 TYR A 2 -2.326 0.824 -4.221 1.00 22.11 C ATOM 19 CE1 TYR A 2 -4.203 -0.830 -2.984 1.00 64.32 C ATOM 20 CE2 TYR A 2 -3.393 1.375 -3.426 1.00 60.15 C ATOM 21 CZ TYR A 2 -4.279 0.521 -2.847 1.00 63.43 C ATOM 22 OH TYR A 2 -5.287 1.041 -2.097 1.00 44.11 O ATOM 0 H TYR A 2 0.223 0.386 -3.963 1.00 64.44 H new ATOM 0 HA TYR A 2 -0.215 -2.397 -3.662 1.00 64.13 H new ATOM 0 HB2 TYR A 2 -0.721 -0.360 -5.907 1.00 73.34 H new ATOM 0 HB3 TYR A 2 -1.482 -1.937 -5.837 1.00 73.34 H new ATOM 0 HD1 TYR A 2 -3.052 -2.450 -3.904 1.00 35.44 H new ATOM 0 HD2 TYR A 2 -1.610 1.480 -4.693 1.00 22.11 H new ATOM 0 HE1 TYR A 2 -4.927 -1.475 -2.508 1.00 64.32 H new ATOM 0 HE2 TYR A 2 -3.487 2.443 -3.293 1.00 60.15 H new ATOM 0 HH TYR A 2 -5.216 2.018 -2.086 1.00 44.11 H new ATOM 32 N VAL A 3 0.870 -3.619 -5.571 1.00 54.21 N ATOM 33 CA VAL A 3 1.740 -4.386 -6.445 1.00 63.42 C ATOM 34 C VAL A 3 0.892 -5.121 -7.486 1.00 3.24 C ATOM 35 O VAL A 3 -0.140 -5.704 -7.222 1.00 34.44 O ATOM 36 CB VAL A 3 2.616 -5.328 -5.616 1.00 5.51 C ATOM 37 CG1 VAL A 3 2.931 -6.609 -6.391 1.00 4.51 C ATOM 38 CG2 VAL A 3 3.901 -4.628 -5.168 1.00 1.23 C ATOM 0 H VAL A 3 0.100 -4.149 -5.164 1.00 54.21 H new ATOM 0 HA VAL A 3 2.417 -3.724 -6.985 1.00 63.42 H new ATOM 0 HB VAL A 3 2.057 -5.607 -4.723 1.00 5.51 H new ATOM 0 HG11 VAL A 3 3.555 -7.260 -5.779 1.00 4.51 H new ATOM 0 HG12 VAL A 3 2.002 -7.123 -6.637 1.00 4.51 H new ATOM 0 HG13 VAL A 3 3.461 -6.357 -7.310 1.00 4.51 H new ATOM 0 HG21 VAL A 3 4.506 -5.319 -4.581 1.00 1.23 H new ATOM 0 HG22 VAL A 3 4.465 -4.307 -6.044 1.00 1.23 H new ATOM 0 HG23 VAL A 3 3.649 -3.759 -4.560 1.00 1.23 H new ATOM 48 N ASP A 4 1.357 -5.081 -8.704 1.00 5.14 N ATOM 49 CA ASP A 4 0.625 -5.764 -9.807 1.00 45.23 C ATOM 50 C ASP A 4 1.222 -7.154 -10.050 1.00 20.25 C ATOM 51 O ASP A 4 2.435 -7.294 -9.901 1.00 41.02 O ATOM 52 CB ASP A 4 0.832 -4.870 -11.031 1.00 34.40 C ATOM 53 CG ASP A 4 0.151 -5.503 -12.246 1.00 44.53 C ATOM 54 OD1 ASP A 4 -0.504 -6.517 -12.073 1.00 71.43 O ATOM 55 OD2 ASP A 4 0.298 -4.963 -13.331 1.00 73.31 O ATOM 0 H ASP A 4 2.214 -4.604 -8.983 1.00 5.14 H new ATOM 0 HA ASP A 4 -0.432 -5.905 -9.580 1.00 45.23 H new ATOM 0 HB2 ASP A 4 0.419 -3.879 -10.845 1.00 34.40 H new ATOM 0 HB3 ASP A 4 1.897 -4.740 -11.224 1.00 34.40 H new ATOM 60 N THR A 5 0.392 -8.125 -10.401 1.00 21.54 N ATOM 61 CA THR A 5 0.877 -9.473 -10.644 1.00 25.35 C ATOM 62 C THR A 5 0.909 -9.766 -12.145 1.00 33.42 C ATOM 63 O THR A 5 1.040 -10.919 -12.553 1.00 72.23 O ATOM 64 CB THR A 5 -0.004 -10.443 -9.853 1.00 43.33 C ATOM 65 OG1 THR A 5 -1.307 -10.247 -10.395 1.00 71.40 O ATOM 66 CG2 THR A 5 -0.147 -10.040 -8.384 1.00 44.32 C ATOM 0 H THR A 5 -0.614 -8.005 -10.523 1.00 21.54 H new ATOM 0 HA THR A 5 1.905 -9.591 -10.300 1.00 25.35 H new ATOM 0 HB THR A 5 0.416 -11.447 -9.914 1.00 43.33 H new ATOM 0 HG1 THR A 5 -1.943 -10.839 -9.941 1.00 71.40 H new ATOM 0 HG21 THR A 5 -0.781 -10.761 -7.869 1.00 44.32 H new ATOM 0 HG22 THR A 5 0.836 -10.021 -7.914 1.00 44.32 H new ATOM 0 HG23 THR A 5 -0.598 -9.050 -8.321 1.00 44.32 H new ATOM 74 N ASN A 6 0.786 -8.703 -12.925 1.00 50.04 N ATOM 75 CA ASN A 6 0.798 -8.832 -14.373 1.00 5.43 C ATOM 76 C ASN A 6 2.080 -8.204 -14.925 1.00 54.52 C ATOM 77 O ASN A 6 2.471 -8.478 -16.059 1.00 11.24 O ATOM 78 CB ASN A 6 -0.393 -8.105 -15.000 1.00 62.45 C ATOM 79 CG ASN A 6 -1.667 -8.334 -14.184 1.00 45.11 C ATOM 80 OD1 ASN A 6 -2.521 -7.471 -14.064 1.00 20.40 O ATOM 81 ND2 ASN A 6 -1.745 -9.541 -13.631 1.00 55.04 N ATOM 0 H ASN A 6 0.678 -7.748 -12.583 1.00 50.04 H new ATOM 0 HA ASN A 6 0.743 -9.893 -14.618 1.00 5.43 H new ATOM 0 HB2 ASN A 6 -0.182 -7.037 -15.059 1.00 62.45 H new ATOM 0 HB3 ASN A 6 -0.542 -8.457 -16.021 1.00 62.45 H new ATOM 0 HD21 ASN A 6 -2.556 -9.792 -13.066 1.00 55.04 H new ATOM 0 HD22 ASN A 6 -0.994 -10.216 -13.772 1.00 55.04 H new ATOM 88 N ASN A 7 2.697 -7.373 -14.099 1.00 3.44 N ATOM 89 CA ASN A 7 3.926 -6.703 -14.490 1.00 62.32 C ATOM 90 C ASN A 7 3.614 -5.663 -15.568 1.00 22.10 C ATOM 91 O ASN A 7 4.488 -5.295 -16.352 1.00 12.45 O ATOM 92 CB ASN A 7 4.934 -7.697 -15.070 1.00 70.54 C ATOM 93 CG ASN A 7 5.066 -8.931 -14.175 1.00 15.25 C ATOM 94 OD1 ASN A 7 5.727 -8.918 -13.149 1.00 41.35 O ATOM 95 ND2 ASN A 7 4.401 -9.994 -14.617 1.00 35.11 N ATOM 0 H ASN A 7 2.369 -7.148 -13.160 1.00 3.44 H new ATOM 0 HA ASN A 7 4.351 -6.234 -13.603 1.00 62.32 H new ATOM 0 HB2 ASN A 7 4.618 -8.000 -16.068 1.00 70.54 H new ATOM 0 HB3 ASN A 7 5.906 -7.215 -15.176 1.00 70.54 H new ATOM 0 HD21 ASN A 7 4.425 -10.866 -14.089 1.00 35.11 H new ATOM 0 HD22 ASN A 7 3.867 -9.937 -15.484 1.00 35.11 H new ATOM 102 N ASP A 8 2.366 -5.219 -15.573 1.00 31.11 N ATOM 103 CA ASP A 8 1.928 -4.229 -16.542 1.00 13.45 C ATOM 104 C ASP A 8 2.123 -2.828 -15.957 1.00 23.42 C ATOM 105 O ASP A 8 2.249 -1.854 -16.698 1.00 23.55 O ATOM 106 CB ASP A 8 0.444 -4.400 -16.872 1.00 33.04 C ATOM 107 CG ASP A 8 -0.519 -3.740 -15.883 1.00 12.14 C ATOM 108 OD1 ASP A 8 -0.447 -2.498 -15.763 1.00 42.22 O ATOM 109 OD2 ASP A 8 -1.306 -4.492 -15.268 1.00 62.42 O ATOM 0 H ASP A 8 1.644 -5.527 -14.921 1.00 31.11 H new ATOM 0 HA ASP A 8 2.517 -4.362 -17.449 1.00 13.45 H new ATOM 0 HB2 ASP A 8 0.259 -3.990 -17.865 1.00 33.04 H new ATOM 0 HB3 ASP A 8 0.218 -5.465 -16.920 1.00 33.04 H new ATOM 114 N GLY A 9 2.143 -2.772 -14.633 1.00 54.03 N ATOM 115 CA GLY A 9 2.321 -1.507 -13.941 1.00 32.14 C ATOM 116 C GLY A 9 0.972 -0.844 -13.654 1.00 40.03 C ATOM 117 O GLY A 9 0.857 0.380 -13.694 1.00 42.00 O ATOM 0 H GLY A 9 2.039 -3.582 -14.022 1.00 54.03 H new ATOM 0 HA2 GLY A 9 2.855 -1.672 -13.005 1.00 32.14 H new ATOM 0 HA3 GLY A 9 2.936 -0.841 -14.546 1.00 32.14 H new ATOM 121 N ALA A 10 -0.015 -1.682 -13.372 1.00 51.52 N ATOM 122 CA ALA A 10 -1.351 -1.192 -13.079 1.00 54.14 C ATOM 123 C ALA A 10 -1.996 -2.085 -12.017 1.00 4.31 C ATOM 124 O ALA A 10 -1.822 -3.302 -12.036 1.00 21.23 O ATOM 125 CB ALA A 10 -2.170 -1.139 -14.371 1.00 12.22 C ATOM 0 H ALA A 10 0.084 -2.697 -13.340 1.00 51.52 H new ATOM 0 HA ALA A 10 -1.309 -0.180 -12.677 1.00 54.14 H new ATOM 0 HB1 ALA A 10 -3.172 -0.771 -14.152 1.00 12.22 H new ATOM 0 HB2 ALA A 10 -1.686 -0.469 -15.082 1.00 12.22 H new ATOM 0 HB3 ALA A 10 -2.236 -2.138 -14.801 1.00 12.22 H new ATOM 131 N TYR A 11 -2.726 -1.445 -11.116 1.00 1.34 N ATOM 132 CA TYR A 11 -3.397 -2.166 -10.047 1.00 41.42 C ATOM 133 C TYR A 11 -4.884 -2.347 -10.358 1.00 30.01 C ATOM 134 O TYR A 11 -5.623 -1.370 -10.468 1.00 44.41 O ATOM 135 CB TYR A 11 -3.252 -1.297 -8.796 1.00 42.23 C ATOM 136 CG TYR A 11 -1.805 -0.941 -8.450 1.00 65.40 C ATOM 137 CD1 TYR A 11 -0.851 -1.935 -8.368 1.00 24.44 C ATOM 138 CD2 TYR A 11 -1.453 0.373 -8.220 1.00 42.21 C ATOM 139 CE1 TYR A 11 0.512 -1.601 -8.042 1.00 14.03 C ATOM 140 CE2 TYR A 11 -0.091 0.708 -7.894 1.00 63.42 C ATOM 141 CZ TYR A 11 0.824 -0.296 -7.821 1.00 43.11 C ATOM 142 OH TYR A 11 2.111 0.020 -7.513 1.00 72.03 O ATOM 0 H TYR A 11 -2.868 -0.435 -11.104 1.00 1.34 H new ATOM 0 HA TYR A 11 -2.961 -3.157 -9.920 1.00 41.42 H new ATOM 0 HB2 TYR A 11 -3.818 -0.376 -8.938 1.00 42.23 H new ATOM 0 HB3 TYR A 11 -3.699 -1.819 -7.950 1.00 42.23 H new ATOM 0 HD1 TYR A 11 -1.126 -2.964 -8.548 1.00 24.44 H new ATOM 0 HD2 TYR A 11 -2.199 1.151 -8.284 1.00 42.21 H new ATOM 0 HE1 TYR A 11 1.268 -2.369 -7.975 1.00 14.03 H new ATOM 0 HE2 TYR A 11 0.197 1.733 -7.712 1.00 63.42 H new ATOM 0 HH TYR A 11 2.360 -0.410 -6.669 1.00 72.03 H new ATOM 152 N GLU A 12 -5.279 -3.605 -10.490 1.00 41.24 N ATOM 153 CA GLU A 12 -6.665 -3.927 -10.786 1.00 44.12 C ATOM 154 C GLU A 12 -6.958 -5.386 -10.432 1.00 64.22 C ATOM 155 O GLU A 12 -6.407 -6.300 -11.044 1.00 44.24 O ATOM 156 CB GLU A 12 -6.993 -3.642 -12.253 1.00 64.12 C ATOM 157 CG GLU A 12 -6.369 -4.697 -13.169 1.00 74.42 C ATOM 158 CD GLU A 12 -4.892 -4.912 -12.833 1.00 33.02 C ATOM 159 OE1 GLU A 12 -4.182 -3.890 -12.717 1.00 13.22 O ATOM 160 OE2 GLU A 12 -4.507 -6.094 -12.699 1.00 44.53 O ATOM 0 H GLU A 12 -4.664 -4.413 -10.397 1.00 41.24 H new ATOM 0 HA GLU A 12 -7.304 -3.290 -10.175 1.00 44.12 H new ATOM 0 HB2 GLU A 12 -8.074 -3.628 -12.392 1.00 64.12 H new ATOM 0 HB3 GLU A 12 -6.624 -2.654 -12.527 1.00 64.12 H new ATOM 0 HG2 GLU A 12 -6.909 -5.638 -13.066 1.00 74.42 H new ATOM 0 HG3 GLU A 12 -6.467 -4.385 -14.209 1.00 74.42 H new ATOM 167 N GLY A 13 -7.824 -5.560 -9.445 1.00 55.14 N ATOM 168 CA GLY A 13 -8.197 -6.893 -9.003 1.00 12.34 C ATOM 169 C GLY A 13 -7.594 -7.204 -7.632 1.00 5.14 C ATOM 170 O GLY A 13 -7.868 -6.507 -6.656 1.00 33.32 O ATOM 0 H GLY A 13 -8.278 -4.800 -8.939 1.00 55.14 H new ATOM 0 HA2 GLY A 13 -9.283 -6.973 -8.953 1.00 12.34 H new ATOM 0 HA3 GLY A 13 -7.856 -7.630 -9.730 1.00 12.34 H new ATOM 174 N ASP A 14 -6.782 -8.251 -7.602 1.00 11.14 N ATOM 175 CA ASP A 14 -6.137 -8.663 -6.366 1.00 52.24 C ATOM 176 C ASP A 14 -4.948 -7.743 -6.086 1.00 5.42 C ATOM 177 O ASP A 14 -4.443 -7.699 -4.965 1.00 65.31 O ATOM 178 CB ASP A 14 -5.612 -10.096 -6.471 1.00 31.03 C ATOM 179 CG ASP A 14 -5.274 -10.760 -5.134 1.00 55.22 C ATOM 180 OD1 ASP A 14 -6.156 -11.296 -4.447 1.00 31.42 O ATOM 181 OD2 ASP A 14 -4.029 -10.711 -4.800 1.00 54.13 O ATOM 0 H ASP A 14 -6.556 -8.826 -8.413 1.00 11.14 H new ATOM 0 HA ASP A 14 -6.874 -8.607 -5.565 1.00 52.24 H new ATOM 0 HB2 ASP A 14 -6.358 -10.704 -6.983 1.00 31.03 H new ATOM 0 HB3 ASP A 14 -4.718 -10.095 -7.095 1.00 31.03 H new ATOM 187 N GLU A 15 -4.534 -7.030 -7.123 1.00 53.42 N ATOM 188 CA GLU A 15 -3.413 -6.113 -7.002 1.00 54.24 C ATOM 189 C GLU A 15 -3.793 -4.924 -6.117 1.00 51.13 C ATOM 190 O GLU A 15 -2.942 -4.105 -5.774 1.00 54.50 O ATOM 191 CB GLU A 15 -2.939 -5.642 -8.379 1.00 32.32 C ATOM 192 CG GLU A 15 -2.703 -6.831 -9.313 1.00 42.31 C ATOM 193 CD GLU A 15 -2.785 -6.400 -10.779 1.00 74.41 C ATOM 194 OE1 GLU A 15 -2.907 -5.177 -11.005 1.00 74.14 O ATOM 195 OE2 GLU A 15 -2.725 -7.304 -11.640 1.00 64.52 O ATOM 0 H GLU A 15 -4.955 -7.069 -8.051 1.00 53.42 H new ATOM 0 HA GLU A 15 -2.585 -6.642 -6.530 1.00 54.24 H new ATOM 0 HB2 GLU A 15 -3.682 -4.974 -8.815 1.00 32.32 H new ATOM 0 HB3 GLU A 15 -2.018 -5.069 -8.274 1.00 32.32 H new ATOM 0 HG2 GLU A 15 -1.724 -7.267 -9.112 1.00 42.31 H new ATOM 0 HG3 GLU A 15 -3.444 -7.606 -9.116 1.00 42.31 H new ATOM 202 N LEU A 16 -5.071 -4.868 -5.773 1.00 53.43 N ATOM 203 CA LEU A 16 -5.574 -3.793 -4.935 1.00 1.42 C ATOM 204 C LEU A 16 -6.032 -4.369 -3.594 1.00 23.24 C ATOM 205 O LEU A 16 -6.918 -3.815 -2.945 1.00 43.53 O ATOM 206 CB LEU A 16 -6.661 -3.004 -5.668 1.00 62.34 C ATOM 207 CG LEU A 16 -6.214 -2.256 -6.926 1.00 5.12 C ATOM 208 CD1 LEU A 16 -7.399 -1.989 -7.856 1.00 23.13 C ATOM 209 CD2 LEU A 16 -5.469 -0.970 -6.562 1.00 51.45 C ATOM 0 H LEU A 16 -5.773 -5.550 -6.059 1.00 53.43 H new ATOM 0 HA LEU A 16 -4.782 -3.076 -4.721 1.00 1.42 H new ATOM 0 HB2 LEU A 16 -7.459 -3.693 -5.944 1.00 62.34 H new ATOM 0 HB3 LEU A 16 -7.089 -2.282 -4.973 1.00 62.34 H new ATOM 0 HG LEU A 16 -5.515 -2.890 -7.471 1.00 5.12 H new ATOM 0 HD11 LEU A 16 -7.053 -1.456 -8.742 1.00 23.13 H new ATOM 0 HD12 LEU A 16 -7.848 -2.936 -8.154 1.00 23.13 H new ATOM 0 HD13 LEU A 16 -8.141 -1.384 -7.335 1.00 23.13 H new ATOM 0 HD21 LEU A 16 -5.162 -0.457 -7.473 1.00 51.45 H new ATOM 0 HD22 LEU A 16 -6.126 -0.320 -5.984 1.00 51.45 H new ATOM 0 HD23 LEU A 16 -4.588 -1.215 -5.969 1.00 51.45 H new ATOM 221 N SER A 17 -5.407 -5.475 -3.217 1.00 70.32 N ATOM 222 CA SER A 17 -5.739 -6.133 -1.965 1.00 32.30 C ATOM 223 C SER A 17 -4.886 -5.561 -0.831 1.00 62.50 C ATOM 224 O SER A 17 -5.255 -5.658 0.338 1.00 33.02 O ATOM 225 CB SER A 17 -5.540 -7.647 -2.068 1.00 43.41 C ATOM 226 OG SER A 17 -6.085 -8.176 -3.274 1.00 2.03 O ATOM 0 H SER A 17 -4.672 -5.932 -3.757 1.00 70.32 H new ATOM 0 HA SER A 17 -6.791 -5.946 -1.749 1.00 32.30 H new ATOM 0 HB2 SER A 17 -4.476 -7.877 -2.020 1.00 43.41 H new ATOM 0 HB3 SER A 17 -6.010 -8.134 -1.214 1.00 43.41 H new ATOM 0 HG SER A 17 -5.370 -8.586 -3.804 1.00 2.03 H new ATOM 232 N GLY A 18 -3.760 -4.978 -1.217 1.00 33.43 N ATOM 233 CA GLY A 18 -2.851 -4.391 -0.247 1.00 74.10 C ATOM 234 C GLY A 18 -1.510 -5.128 -0.236 1.00 54.21 C ATOM 235 O GLY A 18 -1.473 -6.356 -0.178 1.00 12.25 O ATOM 0 H GLY A 18 -3.457 -4.900 -2.188 1.00 33.43 H new ATOM 0 HA2 GLY A 18 -2.690 -3.339 -0.484 1.00 74.10 H new ATOM 0 HA3 GLY A 18 -3.299 -4.429 0.746 1.00 74.10 H new ATOM 239 N THR A 19 -0.442 -4.347 -0.293 1.00 41.55 N ATOM 240 CA THR A 19 0.898 -4.909 -0.291 1.00 33.31 C ATOM 241 C THR A 19 1.660 -4.466 0.959 1.00 2.50 C ATOM 242 O THR A 19 1.211 -3.577 1.682 1.00 62.32 O ATOM 243 CB THR A 19 1.583 -4.504 -1.597 1.00 45.40 C ATOM 244 OG1 THR A 19 0.555 -4.613 -2.578 1.00 23.05 O ATOM 245 CG2 THR A 19 2.636 -5.519 -2.046 1.00 31.50 C ATOM 0 H THR A 19 -0.477 -3.329 -0.341 1.00 41.55 H new ATOM 0 HA THR A 19 0.870 -5.998 -0.247 1.00 33.31 H new ATOM 0 HB THR A 19 2.051 -3.527 -1.473 1.00 45.40 H new ATOM 0 HG1 THR A 19 0.656 -5.458 -3.065 1.00 23.05 H new ATOM 0 HG21 THR A 19 3.091 -5.183 -2.978 1.00 31.50 H new ATOM 0 HG22 THR A 19 3.405 -5.610 -1.278 1.00 31.50 H new ATOM 0 HG23 THR A 19 2.163 -6.489 -2.202 1.00 31.50 H new ATOM 253 N MET A 20 2.801 -5.104 1.175 1.00 34.34 N ATOM 254 CA MET A 20 3.630 -4.787 2.326 1.00 52.45 C ATOM 255 C MET A 20 5.001 -4.270 1.887 1.00 44.44 C ATOM 256 O MET A 20 5.691 -4.918 1.101 1.00 52.01 O ATOM 257 CB MET A 20 3.808 -6.038 3.188 1.00 12.30 C ATOM 258 CG MET A 20 2.460 -6.704 3.472 1.00 10.12 C ATOM 259 SD MET A 20 2.693 -8.132 4.517 1.00 22.11 S ATOM 260 CE MET A 20 2.829 -7.334 6.108 1.00 50.52 C ATOM 0 H MET A 20 3.171 -5.839 0.572 1.00 34.34 H new ATOM 0 HA MET A 20 3.135 -4.006 2.903 1.00 52.45 H new ATOM 0 HB2 MET A 20 4.466 -6.743 2.681 1.00 12.30 H new ATOM 0 HB3 MET A 20 4.291 -5.771 4.128 1.00 12.30 H new ATOM 0 HG2 MET A 20 1.789 -5.994 3.956 1.00 10.12 H new ATOM 0 HG3 MET A 20 1.988 -7.001 2.536 1.00 10.12 H new ATOM 0 HE1 MET A 20 3.705 -7.716 6.633 1.00 50.52 H new ATOM 0 HE2 MET A 20 2.931 -6.258 5.968 1.00 50.52 H new ATOM 0 HE3 MET A 20 1.935 -7.540 6.696 1.00 50.52 H new ATOM 270 N GLU A 21 5.356 -3.107 2.413 1.00 2.22 N ATOM 271 CA GLU A 21 6.633 -2.495 2.086 1.00 71.35 C ATOM 272 C GLU A 21 7.654 -2.774 3.190 1.00 0.04 C ATOM 273 O GLU A 21 7.405 -2.482 4.359 1.00 73.20 O ATOM 274 CB GLU A 21 6.476 -0.992 1.850 1.00 4.43 C ATOM 275 CG GLU A 21 7.824 -0.276 1.964 1.00 51.33 C ATOM 276 CD GLU A 21 7.756 1.122 1.345 1.00 71.12 C ATOM 277 OE1 GLU A 21 8.339 1.356 0.276 1.00 63.41 O ATOM 278 OE2 GLU A 21 7.066 1.982 2.014 1.00 35.34 O ATOM 0 H GLU A 21 4.781 -2.572 3.064 1.00 2.22 H new ATOM 0 HA GLU A 21 7.000 -2.938 1.160 1.00 71.35 H new ATOM 0 HB2 GLU A 21 6.050 -0.818 0.862 1.00 4.43 H new ATOM 0 HB3 GLU A 21 5.777 -0.577 2.576 1.00 4.43 H new ATOM 0 HG2 GLU A 21 8.112 -0.200 3.013 1.00 51.33 H new ATOM 0 HG3 GLU A 21 8.595 -0.862 1.464 1.00 51.33 H new ATOM 286 N TYR A 22 8.782 -3.335 2.781 1.00 23.44 N ATOM 287 CA TYR A 22 9.842 -3.657 3.722 1.00 1.21 C ATOM 288 C TYR A 22 11.116 -2.873 3.402 1.00 42.55 C ATOM 289 O TYR A 22 11.382 -2.561 2.242 1.00 64.03 O ATOM 290 CB TYR A 22 10.120 -5.151 3.549 1.00 24.33 C ATOM 291 CG TYR A 22 8.867 -6.027 3.595 1.00 12.02 C ATOM 292 CD1 TYR A 22 8.143 -6.257 2.443 1.00 62.22 C ATOM 293 CD2 TYR A 22 8.459 -6.587 4.789 1.00 4.12 C ATOM 294 CE1 TYR A 22 6.963 -7.081 2.486 1.00 23.40 C ATOM 295 CE2 TYR A 22 7.279 -7.411 4.832 1.00 24.14 C ATOM 296 CZ TYR A 22 6.590 -7.618 3.679 1.00 55.33 C ATOM 297 OH TYR A 22 5.475 -8.396 3.720 1.00 61.25 O ATOM 0 H TYR A 22 8.986 -3.575 1.811 1.00 23.44 H new ATOM 0 HA TYR A 22 9.543 -3.402 4.739 1.00 1.21 H new ATOM 0 HB2 TYR A 22 10.626 -5.308 2.596 1.00 24.33 H new ATOM 0 HB3 TYR A 22 10.806 -5.475 4.331 1.00 24.33 H new ATOM 0 HD1 TYR A 22 8.462 -5.819 1.509 1.00 62.22 H new ATOM 0 HD2 TYR A 22 9.025 -6.407 5.691 1.00 4.12 H new ATOM 0 HE1 TYR A 22 6.387 -7.268 1.592 1.00 23.40 H new ATOM 0 HE2 TYR A 22 6.949 -7.855 5.760 1.00 24.14 H new ATOM 0 HH TYR A 22 4.830 -8.010 4.349 1.00 61.25 H new ATOM 307 N LYS A 23 11.870 -2.576 4.450 1.00 11.10 N ATOM 308 CA LYS A 23 13.110 -1.834 4.295 1.00 55.02 C ATOM 309 C LYS A 23 14.292 -2.800 4.391 1.00 43.20 C ATOM 310 O LYS A 23 14.524 -3.401 5.439 1.00 51.21 O ATOM 311 CB LYS A 23 13.173 -0.681 5.299 1.00 65.41 C ATOM 312 CG LYS A 23 13.943 0.508 4.720 1.00 23.34 C ATOM 313 CD LYS A 23 14.690 1.265 5.820 1.00 23.34 C ATOM 314 CE LYS A 23 13.845 1.359 7.092 1.00 22.43 C ATOM 315 NZ LYS A 23 14.212 2.563 7.870 1.00 30.15 N ATOM 0 H LYS A 23 11.646 -2.836 5.411 1.00 11.10 H new ATOM 0 HA LYS A 23 13.157 -1.370 3.310 1.00 55.02 H new ATOM 0 HB2 LYS A 23 12.163 -0.370 5.565 1.00 65.41 H new ATOM 0 HB3 LYS A 23 13.655 -1.019 6.217 1.00 65.41 H new ATOM 0 HG2 LYS A 23 14.651 0.157 3.970 1.00 23.34 H new ATOM 0 HG3 LYS A 23 13.252 1.182 4.214 1.00 23.34 H new ATOM 0 HD2 LYS A 23 15.630 0.759 6.040 1.00 23.34 H new ATOM 0 HD3 LYS A 23 14.941 2.267 5.471 1.00 23.34 H new ATOM 0 HE2 LYS A 23 12.787 1.396 6.831 1.00 22.43 H new ATOM 0 HE3 LYS A 23 13.992 0.467 7.700 1.00 22.43 H new ATOM 0 HZ1 LYS A 23 13.629 2.612 8.730 1.00 30.15 H new ATOM 0 HZ2 LYS A 23 15.216 2.512 8.135 1.00 30.15 H new ATOM 0 HZ3 LYS A 23 14.049 3.412 7.293 1.00 30.15 H new ATOM 328 N LEU A 24 15.010 -2.919 3.283 1.00 14.34 N ATOM 329 CA LEU A 24 16.163 -3.801 3.230 1.00 73.23 C ATOM 330 C LEU A 24 17.431 -2.994 3.517 1.00 73.55 C ATOM 331 O LEU A 24 17.808 -2.125 2.733 1.00 53.50 O ATOM 332 CB LEU A 24 16.200 -4.553 1.898 1.00 63.13 C ATOM 333 CG LEU A 24 17.417 -5.452 1.669 1.00 22.01 C ATOM 334 CD1 LEU A 24 18.571 -4.665 1.045 1.00 52.32 C ATOM 335 CD2 LEU A 24 17.835 -6.150 2.965 1.00 14.21 C ATOM 0 H LEU A 24 14.815 -2.419 2.416 1.00 14.34 H new ATOM 0 HA LEU A 24 16.092 -4.568 4.001 1.00 73.23 H new ATOM 0 HB2 LEU A 24 15.302 -5.166 1.824 1.00 63.13 H new ATOM 0 HB3 LEU A 24 16.155 -3.823 1.090 1.00 63.13 H new ATOM 0 HG LEU A 24 17.137 -6.230 0.959 1.00 22.01 H new ATOM 0 HD11 LEU A 24 19.423 -5.328 0.893 1.00 52.32 H new ATOM 0 HD12 LEU A 24 18.255 -4.255 0.086 1.00 52.32 H new ATOM 0 HD13 LEU A 24 18.858 -3.851 1.711 1.00 52.32 H new ATOM 0 HD21 LEU A 24 18.702 -6.783 2.774 1.00 14.21 H new ATOM 0 HD22 LEU A 24 18.090 -5.402 3.715 1.00 14.21 H new ATOM 0 HD23 LEU A 24 17.011 -6.764 3.330 1.00 14.21 H new ATOM 347 N ILE A 25 18.054 -3.312 4.642 1.00 53.01 N ATOM 348 CA ILE A 25 19.271 -2.628 5.042 1.00 44.51 C ATOM 349 C ILE A 25 20.441 -3.613 5.004 1.00 42.14 C ATOM 350 O ILE A 25 20.385 -4.674 5.624 1.00 55.33 O ATOM 351 CB ILE A 25 19.083 -1.949 6.400 1.00 1.03 C ATOM 352 CG1 ILE A 25 17.954 -0.918 6.346 1.00 0.22 C ATOM 353 CG2 ILE A 25 20.396 -1.337 6.894 1.00 55.32 C ATOM 354 CD1 ILE A 25 17.050 -1.029 7.576 1.00 62.53 C ATOM 0 H ILE A 25 17.738 -4.035 5.289 1.00 53.01 H new ATOM 0 HA ILE A 25 19.505 -1.827 4.341 1.00 44.51 H new ATOM 0 HB ILE A 25 18.790 -2.709 7.124 1.00 1.03 H new ATOM 0 HG12 ILE A 25 18.376 0.086 6.290 1.00 0.22 H new ATOM 0 HG13 ILE A 25 17.364 -1.067 5.442 1.00 0.22 H new ATOM 0 HG21 ILE A 25 20.234 -0.861 7.861 1.00 55.32 H new ATOM 0 HG22 ILE A 25 21.147 -2.121 6.996 1.00 55.32 H new ATOM 0 HG23 ILE A 25 20.743 -0.593 6.177 1.00 55.32 H new ATOM 0 HD11 ILE A 25 16.256 -0.285 7.512 1.00 62.53 H new ATOM 0 HD12 ILE A 25 16.611 -2.026 7.616 1.00 62.53 H new ATOM 0 HD13 ILE A 25 17.638 -0.855 8.477 1.00 62.53 H new ATOM 366 N LEU A 26 21.474 -3.227 4.269 1.00 24.23 N ATOM 367 CA LEU A 26 22.656 -4.063 4.142 1.00 72.40 C ATOM 368 C LEU A 26 23.844 -3.365 4.806 1.00 11.32 C ATOM 369 O LEU A 26 24.325 -2.346 4.312 1.00 31.04 O ATOM 370 CB LEU A 26 22.898 -4.429 2.676 1.00 2.31 C ATOM 371 CG LEU A 26 21.650 -4.732 1.845 1.00 32.53 C ATOM 372 CD1 LEU A 26 21.193 -3.495 1.069 1.00 23.54 C ATOM 373 CD2 LEU A 26 21.882 -5.933 0.925 1.00 2.33 C ATOM 0 H LEU A 26 21.517 -2.347 3.756 1.00 24.23 H new ATOM 0 HA LEU A 26 22.511 -5.009 4.663 1.00 72.40 H new ATOM 0 HB2 LEU A 26 23.436 -3.608 2.201 1.00 2.31 H new ATOM 0 HB3 LEU A 26 23.552 -5.300 2.643 1.00 2.31 H new ATOM 0 HG LEU A 26 20.843 -5.000 2.527 1.00 32.53 H new ATOM 0 HD11 LEU A 26 20.304 -3.738 0.487 1.00 23.54 H new ATOM 0 HD12 LEU A 26 20.960 -2.692 1.769 1.00 23.54 H new ATOM 0 HD13 LEU A 26 21.989 -3.172 0.398 1.00 23.54 H new ATOM 0 HD21 LEU A 26 20.979 -6.127 0.345 1.00 2.33 H new ATOM 0 HD22 LEU A 26 22.709 -5.718 0.248 1.00 2.33 H new ATOM 0 HD23 LEU A 26 22.123 -6.810 1.526 1.00 2.33 H new ATOM 385 N ASN A 27 24.283 -3.940 5.916 1.00 71.21 N ATOM 386 CA ASN A 27 25.406 -3.385 6.653 1.00 74.50 C ATOM 387 C ASN A 27 26.656 -4.223 6.376 1.00 34.35 C ATOM 388 O ASN A 27 26.833 -5.291 6.960 1.00 71.50 O ATOM 389 CB ASN A 27 25.142 -3.412 8.160 1.00 64.22 C ATOM 390 CG ASN A 27 24.675 -2.044 8.659 1.00 3.53 C ATOM 391 OD1 ASN A 27 25.277 -1.017 8.389 1.00 12.02 O ATOM 392 ND2 ASN A 27 23.572 -2.086 9.401 1.00 42.12 N ATOM 0 H ASN A 27 23.881 -4.785 6.323 1.00 71.21 H new ATOM 0 HA ASN A 27 25.546 -2.353 6.330 1.00 74.50 H new ATOM 0 HB2 ASN A 27 24.386 -4.163 8.387 1.00 64.22 H new ATOM 0 HB3 ASN A 27 26.050 -3.705 8.687 1.00 64.22 H new ATOM 0 HD21 ASN A 27 23.181 -1.225 9.782 1.00 42.12 H new ATOM 0 HD22 ASN A 27 23.117 -2.980 9.589 1.00 42.12 H new ATOM 399 N GLY A 28 27.490 -3.707 5.486 1.00 1.13 N ATOM 400 CA GLY A 28 28.718 -4.394 5.125 1.00 25.13 C ATOM 401 C GLY A 28 29.900 -3.423 5.090 1.00 2.23 C ATOM 402 O GLY A 28 29.713 -2.217 4.937 1.00 53.13 O ATOM 0 H GLY A 28 27.340 -2.821 5.004 1.00 1.13 H new ATOM 0 HA2 GLY A 28 28.918 -5.190 5.842 1.00 25.13 H new ATOM 0 HA3 GLY A 28 28.602 -4.866 4.149 1.00 25.13 H new ATOM 406 N LYS A 29 31.091 -3.985 5.235 1.00 2.32 N ATOM 407 CA LYS A 29 32.303 -3.183 5.222 1.00 23.41 C ATOM 408 C LYS A 29 32.598 -2.736 3.789 1.00 2.00 C ATOM 409 O LYS A 29 33.072 -1.623 3.568 1.00 51.45 O ATOM 410 CB LYS A 29 33.457 -3.945 5.878 1.00 35.51 C ATOM 411 CG LYS A 29 33.006 -4.604 7.184 1.00 42.31 C ATOM 412 CD LYS A 29 32.438 -3.566 8.154 1.00 51.44 C ATOM 413 CE LYS A 29 30.909 -3.553 8.108 1.00 14.52 C ATOM 414 NZ LYS A 29 30.352 -3.336 9.462 1.00 32.03 N ATOM 0 H LYS A 29 31.243 -4.986 5.362 1.00 2.32 H new ATOM 0 HA LYS A 29 32.168 -2.280 5.817 1.00 23.41 H new ATOM 0 HB2 LYS A 29 33.831 -4.706 5.193 1.00 35.51 H new ATOM 0 HB3 LYS A 29 34.282 -3.261 6.077 1.00 35.51 H new ATOM 0 HG2 LYS A 29 32.250 -5.360 6.972 1.00 42.31 H new ATOM 0 HG3 LYS A 29 33.849 -5.117 7.647 1.00 42.31 H new ATOM 0 HD2 LYS A 29 32.773 -3.788 9.167 1.00 51.44 H new ATOM 0 HD3 LYS A 29 32.822 -2.578 7.901 1.00 51.44 H new ATOM 0 HE2 LYS A 29 30.566 -2.766 7.437 1.00 14.52 H new ATOM 0 HE3 LYS A 29 30.543 -4.497 7.705 1.00 14.52 H new ATOM 0 HZ1 LYS A 29 29.313 -3.330 9.413 1.00 32.03 H new ATOM 0 HZ2 LYS A 29 30.664 -4.102 10.093 1.00 32.03 H new ATOM 0 HZ3 LYS A 29 30.686 -2.424 9.833 1.00 32.03 H new ATOM 427 N THR A 30 32.306 -3.627 2.853 1.00 52.11 N ATOM 428 CA THR A 30 32.534 -3.338 1.447 1.00 14.33 C ATOM 429 C THR A 30 31.218 -2.972 0.758 1.00 53.10 C ATOM 430 O THR A 30 31.218 -2.293 -0.268 1.00 32.40 O ATOM 431 CB THR A 30 33.231 -4.548 0.823 1.00 51.13 C ATOM 432 OG1 THR A 30 33.638 -4.089 -0.463 1.00 54.44 O ATOM 433 CG2 THR A 30 32.260 -5.691 0.520 1.00 23.32 C ATOM 0 H THR A 30 31.913 -4.550 3.041 1.00 52.11 H new ATOM 0 HA THR A 30 33.182 -2.471 1.321 1.00 14.33 H new ATOM 0 HB THR A 30 34.012 -4.903 1.495 1.00 51.13 H new ATOM 0 HG1 THR A 30 34.101 -4.811 -0.937 1.00 54.44 H new ATOM 0 HG21 THR A 30 32.806 -6.525 0.078 1.00 23.32 H new ATOM 0 HG22 THR A 30 31.783 -6.018 1.444 1.00 23.32 H new ATOM 0 HG23 THR A 30 31.498 -5.346 -0.179 1.00 23.32 H new ATOM 441 N LEU A 31 30.128 -3.438 1.349 1.00 15.35 N ATOM 442 CA LEU A 31 28.807 -3.168 0.805 1.00 25.12 C ATOM 443 C LEU A 31 27.895 -2.656 1.921 1.00 2.35 C ATOM 444 O LEU A 31 27.430 -3.433 2.754 1.00 52.24 O ATOM 445 CB LEU A 31 28.263 -4.403 0.084 1.00 11.20 C ATOM 446 CG LEU A 31 27.490 -4.137 -1.210 1.00 21.54 C ATOM 447 CD1 LEU A 31 26.778 -2.785 -1.155 1.00 51.41 C ATOM 448 CD2 LEU A 31 28.406 -4.254 -2.429 1.00 64.14 C ATOM 0 H LEU A 31 30.132 -4.001 2.199 1.00 15.35 H new ATOM 0 HA LEU A 31 28.859 -2.383 0.050 1.00 25.12 H new ATOM 0 HB2 LEU A 31 29.099 -5.064 -0.145 1.00 11.20 H new ATOM 0 HB3 LEU A 31 27.610 -4.942 0.770 1.00 11.20 H new ATOM 0 HG LEU A 31 26.720 -4.902 -1.312 1.00 21.54 H new ATOM 0 HD11 LEU A 31 26.236 -2.621 -2.087 1.00 51.41 H new ATOM 0 HD12 LEU A 31 26.076 -2.777 -0.321 1.00 51.41 H new ATOM 0 HD13 LEU A 31 27.513 -1.992 -1.018 1.00 51.41 H new ATOM 0 HD21 LEU A 31 27.832 -4.060 -3.335 1.00 64.14 H new ATOM 0 HD22 LEU A 31 29.214 -3.526 -2.348 1.00 64.14 H new ATOM 0 HD23 LEU A 31 28.826 -5.259 -2.473 1.00 64.14 H new ATOM 460 N LYS A 32 27.667 -1.351 1.903 1.00 10.32 N ATOM 461 CA LYS A 32 26.819 -0.725 2.904 1.00 73.35 C ATOM 462 C LYS A 32 25.848 0.235 2.214 1.00 15.11 C ATOM 463 O LYS A 32 26.269 1.141 1.497 1.00 1.31 O ATOM 464 CB LYS A 32 27.669 -0.065 3.990 1.00 4.41 C ATOM 465 CG LYS A 32 29.000 0.431 3.419 1.00 33.03 C ATOM 466 CD LYS A 32 29.916 0.946 4.531 1.00 33.14 C ATOM 467 CE LYS A 32 30.004 2.473 4.505 1.00 5.14 C ATOM 468 NZ LYS A 32 31.312 2.925 5.031 1.00 41.32 N ATOM 0 H LYS A 32 28.055 -0.710 1.211 1.00 10.32 H new ATOM 0 HA LYS A 32 26.217 -1.475 3.416 1.00 73.35 H new ATOM 0 HB2 LYS A 32 27.122 0.771 4.427 1.00 4.41 H new ATOM 0 HB3 LYS A 32 27.857 -0.778 4.793 1.00 4.41 H new ATOM 0 HG2 LYS A 32 29.494 -0.379 2.882 1.00 33.03 H new ATOM 0 HG3 LYS A 32 28.816 1.226 2.697 1.00 33.03 H new ATOM 0 HD2 LYS A 32 29.539 0.616 5.499 1.00 33.14 H new ATOM 0 HD3 LYS A 32 30.912 0.519 4.414 1.00 33.14 H new ATOM 0 HE2 LYS A 32 29.871 2.834 3.485 1.00 5.14 H new ATOM 0 HE3 LYS A 32 29.198 2.900 5.102 1.00 5.14 H new ATOM 0 HZ1 LYS A 32 31.356 3.964 5.007 1.00 41.32 H new ATOM 0 HZ2 LYS A 32 31.424 2.597 6.011 1.00 41.32 H new ATOM 0 HZ3 LYS A 32 32.076 2.532 4.445 1.00 41.32 H new ATOM 481 N GLY A 33 24.565 0.004 2.455 1.00 25.23 N ATOM 482 CA GLY A 33 23.531 0.837 1.867 1.00 51.15 C ATOM 483 C GLY A 33 22.151 0.467 2.414 1.00 0.13 C ATOM 484 O GLY A 33 22.042 -0.333 3.343 1.00 54.55 O ATOM 0 H GLY A 33 24.219 -0.749 3.050 1.00 25.23 H new ATOM 0 HA2 GLY A 33 23.740 1.886 2.078 1.00 51.15 H new ATOM 0 HA3 GLY A 33 23.539 0.722 0.783 1.00 51.15 H new ATOM 488 N GLU A 34 21.132 1.067 1.816 1.00 20.24 N ATOM 489 CA GLU A 34 19.764 0.810 2.233 1.00 53.42 C ATOM 490 C GLU A 34 18.844 0.728 1.013 1.00 62.13 C ATOM 491 O GLU A 34 19.248 1.071 -0.098 1.00 31.25 O ATOM 492 CB GLU A 34 19.279 1.880 3.213 1.00 3.41 C ATOM 493 CG GLU A 34 19.748 1.572 4.637 1.00 50.44 C ATOM 494 CD GLU A 34 18.915 2.339 5.666 1.00 32.30 C ATOM 495 OE1 GLU A 34 19.143 2.198 6.877 1.00 52.03 O ATOM 496 OE2 GLU A 34 18.003 3.104 5.169 1.00 71.22 O ATOM 0 H GLU A 34 21.226 1.730 1.047 1.00 20.24 H new ATOM 0 HA GLU A 34 19.737 -0.149 2.750 1.00 53.42 H new ATOM 0 HB2 GLU A 34 19.654 2.856 2.906 1.00 3.41 H new ATOM 0 HB3 GLU A 34 18.191 1.934 3.188 1.00 3.41 H new ATOM 0 HG2 GLU A 34 19.670 0.501 4.826 1.00 50.44 H new ATOM 0 HG3 GLU A 34 20.800 1.839 4.743 1.00 50.44 H new ATOM 504 N THR A 35 17.625 0.271 1.260 1.00 44.21 N ATOM 505 CA THR A 35 16.645 0.139 0.195 1.00 3.43 C ATOM 506 C THR A 35 15.328 -0.410 0.748 1.00 44.53 C ATOM 507 O THR A 35 15.246 -0.772 1.920 1.00 20.12 O ATOM 508 CB THR A 35 17.255 -0.734 -0.903 1.00 32.21 C ATOM 509 OG1 THR A 35 16.133 -1.152 -1.677 1.00 5.41 O ATOM 510 CG2 THR A 35 17.837 -2.040 -0.357 1.00 43.50 C ATOM 0 H THR A 35 17.294 -0.013 2.182 1.00 44.21 H new ATOM 0 HA THR A 35 16.400 1.108 -0.240 1.00 3.43 H new ATOM 0 HB THR A 35 18.036 -0.176 -1.419 1.00 32.21 H new ATOM 0 HG1 THR A 35 16.438 -1.722 -2.413 1.00 5.41 H new ATOM 0 HG21 THR A 35 18.257 -2.622 -1.177 1.00 43.50 H new ATOM 0 HG22 THR A 35 18.620 -1.815 0.367 1.00 43.50 H new ATOM 0 HG23 THR A 35 17.049 -2.615 0.129 1.00 43.50 H new ATOM 518 N THR A 36 14.331 -0.453 -0.123 1.00 70.42 N ATOM 519 CA THR A 36 13.022 -0.952 0.263 1.00 72.13 C ATOM 520 C THR A 36 12.357 -1.671 -0.913 1.00 24.53 C ATOM 521 O THR A 36 12.689 -1.416 -2.069 1.00 50.33 O ATOM 522 CB THR A 36 12.205 0.227 0.794 1.00 55.21 C ATOM 523 OG1 THR A 36 11.828 0.945 -0.378 1.00 62.33 O ATOM 524 CG2 THR A 36 13.058 1.223 1.583 1.00 75.15 C ATOM 0 H THR A 36 14.403 -0.151 -1.094 1.00 70.42 H new ATOM 0 HA THR A 36 13.100 -1.696 1.056 1.00 72.13 H new ATOM 0 HB THR A 36 11.402 -0.146 1.429 1.00 55.21 H new ATOM 0 HG1 THR A 36 11.293 1.726 -0.125 1.00 62.33 H new ATOM 0 HG21 THR A 36 12.429 2.040 1.937 1.00 75.15 H new ATOM 0 HG22 THR A 36 13.511 0.718 2.436 1.00 75.15 H new ATOM 0 HG23 THR A 36 13.842 1.621 0.939 1.00 75.15 H new ATOM 532 N THR A 37 11.431 -2.557 -0.576 1.00 25.21 N ATOM 533 CA THR A 37 10.717 -3.316 -1.589 1.00 45.51 C ATOM 534 C THR A 37 9.280 -3.585 -1.139 1.00 63.41 C ATOM 535 O THR A 37 9.005 -3.665 0.057 1.00 1.11 O ATOM 536 CB THR A 37 11.514 -4.590 -1.875 1.00 2.03 C ATOM 537 OG1 THR A 37 11.026 -5.029 -3.139 1.00 54.23 O ATOM 538 CG2 THR A 37 11.156 -5.731 -0.920 1.00 53.04 C ATOM 0 H THR A 37 11.159 -2.766 0.384 1.00 25.21 H new ATOM 0 HA THR A 37 10.633 -2.754 -2.519 1.00 45.51 H new ATOM 0 HB THR A 37 12.580 -4.375 -1.801 1.00 2.03 H new ATOM 0 HG1 THR A 37 11.235 -5.979 -3.258 1.00 54.23 H new ATOM 0 HG21 THR A 37 11.750 -6.611 -1.166 1.00 53.04 H new ATOM 0 HG22 THR A 37 11.366 -5.427 0.105 1.00 53.04 H new ATOM 0 HG23 THR A 37 10.097 -5.969 -1.018 1.00 53.04 H new ATOM 546 N CYS A 38 8.402 -3.719 -2.122 1.00 13.22 N ATOM 547 CA CYS A 38 7.000 -3.978 -1.842 1.00 74.00 C ATOM 548 C CYS A 38 6.670 -5.396 -2.314 1.00 13.51 C ATOM 549 O CYS A 38 7.043 -5.789 -3.418 1.00 41.40 O ATOM 550 CB CYS A 38 6.090 -2.934 -2.493 1.00 4.31 C ATOM 551 SG CYS A 38 6.193 -1.261 -1.757 1.00 63.32 S ATOM 0 H CYS A 38 8.634 -3.653 -3.113 1.00 13.22 H new ATOM 0 HA CYS A 38 6.821 -3.902 -0.770 1.00 74.00 H new ATOM 0 HB2 CYS A 38 6.338 -2.866 -3.552 1.00 4.31 H new ATOM 0 HB3 CYS A 38 5.059 -3.281 -2.429 1.00 4.31 H new ATOM 556 N ALA A 39 5.974 -6.124 -1.454 1.00 34.22 N ATOM 557 CA ALA A 39 5.589 -7.490 -1.769 1.00 2.41 C ATOM 558 C ALA A 39 4.241 -7.799 -1.115 1.00 71.13 C ATOM 559 O ALA A 39 3.954 -7.321 -0.019 1.00 25.34 O ATOM 560 CB ALA A 39 6.691 -8.448 -1.314 1.00 64.30 C ATOM 0 H ALA A 39 5.666 -5.794 -0.539 1.00 34.22 H new ATOM 0 HA ALA A 39 5.470 -7.617 -2.845 1.00 2.41 H new ATOM 0 HB1 ALA A 39 6.403 -9.472 -1.550 1.00 64.30 H new ATOM 0 HB2 ALA A 39 7.620 -8.205 -1.829 1.00 64.30 H new ATOM 0 HB3 ALA A 39 6.836 -8.351 -0.238 1.00 64.30 H new ATOM 566 N VAL A 40 3.449 -8.597 -1.816 1.00 53.44 N ATOM 567 CA VAL A 40 2.137 -8.976 -1.318 1.00 44.50 C ATOM 568 C VAL A 40 2.303 -9.880 -0.095 1.00 42.21 C ATOM 569 O VAL A 40 1.441 -9.908 0.782 1.00 5.42 O ATOM 570 CB VAL A 40 1.320 -9.626 -2.436 1.00 64.03 C ATOM 571 CG1 VAL A 40 0.773 -8.571 -3.400 1.00 32.32 C ATOM 572 CG2 VAL A 40 2.149 -10.673 -3.183 1.00 23.23 C ATOM 0 H VAL A 40 3.690 -8.992 -2.725 1.00 53.44 H new ATOM 0 HA VAL A 40 1.580 -8.095 -0.998 1.00 44.50 H new ATOM 0 HB VAL A 40 0.471 -10.134 -1.978 1.00 64.03 H new ATOM 0 HG11 VAL A 40 0.196 -9.060 -4.185 1.00 32.32 H new ATOM 0 HG12 VAL A 40 0.131 -7.879 -2.855 1.00 32.32 H new ATOM 0 HG13 VAL A 40 1.602 -8.022 -3.847 1.00 32.32 H new ATOM 0 HG21 VAL A 40 1.545 -11.120 -3.972 1.00 23.23 H new ATOM 0 HG22 VAL A 40 3.026 -10.197 -3.622 1.00 23.23 H new ATOM 0 HG23 VAL A 40 2.468 -11.449 -2.487 1.00 23.23 H new ATOM 582 N ASP A 41 3.417 -10.597 -0.076 1.00 72.42 N ATOM 583 CA ASP A 41 3.707 -11.500 1.025 1.00 75.53 C ATOM 584 C ASP A 41 5.175 -11.352 1.427 1.00 1.04 C ATOM 585 O ASP A 41 6.039 -11.151 0.575 1.00 11.41 O ATOM 586 CB ASP A 41 3.473 -12.957 0.619 1.00 53.25 C ATOM 587 CG ASP A 41 2.027 -13.303 0.256 1.00 10.05 C ATOM 588 OD1 ASP A 41 1.346 -14.042 0.983 1.00 0.11 O ATOM 589 OD2 ASP A 41 1.597 -12.773 -0.838 1.00 41.50 O ATOM 0 H ASP A 41 4.130 -10.571 -0.805 1.00 72.42 H new ATOM 0 HA ASP A 41 3.045 -11.245 1.853 1.00 75.53 H new ATOM 0 HB2 ASP A 41 4.111 -13.188 -0.234 1.00 53.25 H new ATOM 0 HB3 ASP A 41 3.790 -13.602 1.438 1.00 53.25 H new ATOM 595 N ALA A 42 5.413 -11.457 2.727 1.00 72.25 N ATOM 596 CA ALA A 42 6.762 -11.337 3.253 1.00 70.14 C ATOM 597 C ALA A 42 7.660 -12.380 2.584 1.00 30.24 C ATOM 598 O ALA A 42 8.882 -12.242 2.582 1.00 62.11 O ATOM 599 CB ALA A 42 6.731 -11.484 4.775 1.00 3.32 C ATOM 0 H ALA A 42 4.694 -11.624 3.431 1.00 72.25 H new ATOM 0 HA ALA A 42 7.176 -10.354 3.029 1.00 70.14 H new ATOM 0 HB1 ALA A 42 7.743 -11.394 5.170 1.00 3.32 H new ATOM 0 HB2 ALA A 42 6.104 -10.702 5.203 1.00 3.32 H new ATOM 0 HB3 ALA A 42 6.324 -12.461 5.038 1.00 3.32 H new ATOM 605 N ALA A 43 7.019 -13.401 2.034 1.00 51.31 N ATOM 606 CA ALA A 43 7.744 -14.467 1.364 1.00 4.31 C ATOM 607 C ALA A 43 8.401 -13.914 0.098 1.00 53.45 C ATOM 608 O ALA A 43 9.572 -14.180 -0.166 1.00 61.42 O ATOM 609 CB ALA A 43 6.791 -15.626 1.068 1.00 14.21 C ATOM 0 H ALA A 43 6.005 -13.512 2.039 1.00 51.31 H new ATOM 0 HA ALA A 43 8.537 -14.853 2.005 1.00 4.31 H new ATOM 0 HB1 ALA A 43 7.335 -16.425 0.565 1.00 14.21 H new ATOM 0 HB2 ALA A 43 6.375 -16.002 2.002 1.00 14.21 H new ATOM 0 HB3 ALA A 43 5.983 -15.277 0.425 1.00 14.21 H new ATOM 615 N THR A 44 7.617 -13.153 -0.653 1.00 30.23 N ATOM 616 CA THR A 44 8.107 -12.560 -1.885 1.00 63.13 C ATOM 617 C THR A 44 9.208 -11.540 -1.586 1.00 35.24 C ATOM 618 O THR A 44 10.228 -11.503 -2.271 1.00 50.13 O ATOM 619 CB THR A 44 6.912 -11.963 -2.631 1.00 20.21 C ATOM 620 OG1 THR A 44 5.976 -13.035 -2.701 1.00 61.43 O ATOM 621 CG2 THR A 44 7.231 -11.651 -4.094 1.00 44.42 C ATOM 0 H THR A 44 6.646 -12.934 -0.431 1.00 30.23 H new ATOM 0 HA THR A 44 8.568 -13.310 -2.528 1.00 63.13 H new ATOM 0 HB THR A 44 6.589 -11.052 -2.128 1.00 20.21 H new ATOM 0 HG1 THR A 44 5.169 -12.735 -3.169 1.00 61.43 H new ATOM 0 HG21 THR A 44 6.349 -11.230 -4.577 1.00 44.42 H new ATOM 0 HG22 THR A 44 8.049 -10.933 -4.143 1.00 44.42 H new ATOM 0 HG23 THR A 44 7.522 -12.568 -4.606 1.00 44.42 H new ATOM 629 N ALA A 45 8.963 -10.738 -0.560 1.00 54.53 N ATOM 630 CA ALA A 45 9.920 -9.720 -0.161 1.00 52.23 C ATOM 631 C ALA A 45 11.196 -10.396 0.345 1.00 74.14 C ATOM 632 O ALA A 45 12.299 -9.907 0.105 1.00 35.10 O ATOM 633 CB ALA A 45 9.287 -8.808 0.891 1.00 14.24 C ATOM 0 H ALA A 45 8.116 -10.773 0.007 1.00 54.53 H new ATOM 0 HA ALA A 45 10.193 -9.096 -1.012 1.00 52.23 H new ATOM 0 HB1 ALA A 45 10.005 -8.044 1.190 1.00 14.24 H new ATOM 0 HB2 ALA A 45 8.402 -8.329 0.472 1.00 14.24 H new ATOM 0 HB3 ALA A 45 9.002 -9.399 1.761 1.00 14.24 H new ATOM 639 N GLU A 46 11.003 -11.510 1.035 1.00 34.31 N ATOM 640 CA GLU A 46 12.124 -12.259 1.577 1.00 41.32 C ATOM 641 C GLU A 46 13.065 -12.694 0.452 1.00 41.34 C ATOM 642 O GLU A 46 14.283 -12.582 0.579 1.00 65.24 O ATOM 643 CB GLU A 46 11.640 -13.465 2.384 1.00 73.04 C ATOM 644 CG GLU A 46 12.819 -14.229 2.989 1.00 11.35 C ATOM 645 CD GLU A 46 12.360 -15.558 3.592 1.00 32.10 C ATOM 646 OE1 GLU A 46 11.821 -16.412 2.872 1.00 64.01 O ATOM 647 OE2 GLU A 46 12.581 -15.689 4.856 1.00 12.02 O ATOM 0 H GLU A 46 10.087 -11.912 1.231 1.00 34.31 H new ATOM 0 HA GLU A 46 12.676 -11.608 2.255 1.00 41.32 H new ATOM 0 HB2 GLU A 46 10.972 -13.131 3.178 1.00 73.04 H new ATOM 0 HB3 GLU A 46 11.063 -14.130 1.741 1.00 73.04 H new ATOM 0 HG2 GLU A 46 13.570 -14.414 2.221 1.00 11.35 H new ATOM 0 HG3 GLU A 46 13.294 -13.621 3.759 1.00 11.35 H new ATOM 655 N LYS A 47 12.464 -13.180 -0.624 1.00 62.33 N ATOM 656 CA LYS A 47 13.233 -13.633 -1.771 1.00 44.41 C ATOM 657 C LYS A 47 14.080 -12.474 -2.301 1.00 1.41 C ATOM 658 O LYS A 47 15.285 -12.620 -2.499 1.00 22.41 O ATOM 659 CB LYS A 47 12.312 -14.252 -2.824 1.00 30.45 C ATOM 660 CG LYS A 47 11.497 -15.403 -2.230 1.00 22.35 C ATOM 661 CD LYS A 47 10.224 -15.650 -3.042 1.00 22.05 C ATOM 662 CE LYS A 47 9.216 -16.479 -2.243 1.00 24.03 C ATOM 663 NZ LYS A 47 9.727 -17.852 -2.032 1.00 35.33 N ATOM 0 H LYS A 47 11.453 -13.270 -0.726 1.00 62.33 H new ATOM 0 HA LYS A 47 13.922 -14.425 -1.478 1.00 44.41 H new ATOM 0 HB2 LYS A 47 11.639 -13.490 -3.217 1.00 30.45 H new ATOM 0 HB3 LYS A 47 12.905 -14.616 -3.663 1.00 30.45 H new ATOM 0 HG2 LYS A 47 12.102 -16.310 -2.211 1.00 22.35 H new ATOM 0 HG3 LYS A 47 11.235 -15.173 -1.197 1.00 22.35 H new ATOM 0 HD2 LYS A 47 9.776 -14.696 -3.321 1.00 22.05 H new ATOM 0 HD3 LYS A 47 10.474 -16.168 -3.968 1.00 22.05 H new ATOM 0 HE2 LYS A 47 9.026 -16.003 -1.281 1.00 24.03 H new ATOM 0 HE3 LYS A 47 8.265 -16.516 -2.774 1.00 24.03 H new ATOM 0 HZ1 LYS A 47 9.017 -18.412 -1.518 1.00 35.33 H new ATOM 0 HZ2 LYS A 47 9.918 -18.297 -2.953 1.00 35.33 H new ATOM 0 HZ3 LYS A 47 10.606 -17.814 -1.477 1.00 35.33 H new ATOM 676 N VAL A 48 13.416 -11.347 -2.515 1.00 61.44 N ATOM 677 CA VAL A 48 14.093 -10.164 -3.018 1.00 54.15 C ATOM 678 C VAL A 48 15.185 -9.748 -2.032 1.00 23.24 C ATOM 679 O VAL A 48 16.269 -9.333 -2.439 1.00 1.43 O ATOM 680 CB VAL A 48 13.075 -9.053 -3.286 1.00 72.32 C ATOM 681 CG1 VAL A 48 13.764 -7.795 -3.817 1.00 53.32 C ATOM 682 CG2 VAL A 48 11.984 -9.529 -4.248 1.00 64.22 C ATOM 0 H VAL A 48 12.417 -11.229 -2.349 1.00 61.44 H new ATOM 0 HA VAL A 48 14.579 -10.378 -3.970 1.00 54.15 H new ATOM 0 HB VAL A 48 12.599 -8.799 -2.339 1.00 72.32 H new ATOM 0 HG11 VAL A 48 13.018 -7.021 -3.999 1.00 53.32 H new ATOM 0 HG12 VAL A 48 14.486 -7.438 -3.082 1.00 53.32 H new ATOM 0 HG13 VAL A 48 14.280 -8.028 -4.748 1.00 53.32 H new ATOM 0 HG21 VAL A 48 11.274 -8.721 -4.421 1.00 64.22 H new ATOM 0 HG22 VAL A 48 12.437 -9.823 -5.195 1.00 64.22 H new ATOM 0 HG23 VAL A 48 11.463 -10.382 -3.814 1.00 64.22 H new ATOM 692 N PHE A 49 14.862 -9.875 -0.753 1.00 5.32 N ATOM 693 CA PHE A 49 15.803 -9.517 0.295 1.00 21.34 C ATOM 694 C PHE A 49 17.034 -10.426 0.261 1.00 13.20 C ATOM 695 O PHE A 49 18.159 -9.960 0.436 1.00 33.10 O ATOM 696 CB PHE A 49 15.080 -9.709 1.630 1.00 53.22 C ATOM 697 CG PHE A 49 16.005 -9.686 2.848 1.00 11.42 C ATOM 698 CD1 PHE A 49 17.180 -9.002 2.797 1.00 34.11 C ATOM 699 CD2 PHE A 49 15.653 -10.348 3.982 1.00 34.44 C ATOM 700 CE1 PHE A 49 18.038 -8.980 3.928 1.00 62.51 C ATOM 701 CE2 PHE A 49 16.511 -10.327 5.113 1.00 2.21 C ATOM 702 CZ PHE A 49 17.686 -9.643 5.062 1.00 31.31 C ATOM 0 H PHE A 49 13.962 -10.221 -0.419 1.00 5.32 H new ATOM 0 HA PHE A 49 16.139 -8.489 0.158 1.00 21.34 H new ATOM 0 HB2 PHE A 49 14.330 -8.926 1.741 1.00 53.22 H new ATOM 0 HB3 PHE A 49 14.547 -10.660 1.609 1.00 53.22 H new ATOM 0 HD1 PHE A 49 17.460 -8.476 1.896 1.00 34.11 H new ATOM 0 HD2 PHE A 49 14.720 -10.890 4.023 1.00 34.44 H new ATOM 0 HE1 PHE A 49 18.970 -8.437 3.888 1.00 62.51 H new ATOM 0 HE2 PHE A 49 16.231 -10.854 6.013 1.00 2.21 H new ATOM 0 HZ PHE A 49 18.339 -9.627 5.922 1.00 31.31 H new ATOM 712 N LYS A 50 16.778 -11.706 0.034 1.00 4.02 N ATOM 713 CA LYS A 50 17.851 -12.684 -0.025 1.00 44.04 C ATOM 714 C LYS A 50 18.653 -12.478 -1.312 1.00 51.52 C ATOM 715 O LYS A 50 19.864 -12.689 -1.334 1.00 5.22 O ATOM 716 CB LYS A 50 17.295 -14.100 0.132 1.00 73.42 C ATOM 717 CG LYS A 50 16.438 -14.216 1.394 1.00 1.23 C ATOM 718 CD LYS A 50 17.215 -14.896 2.524 1.00 52.33 C ATOM 719 CE LYS A 50 16.531 -14.669 3.873 1.00 11.23 C ATOM 720 NZ LYS A 50 15.871 -15.911 4.335 1.00 1.52 N ATOM 0 H LYS A 50 15.844 -12.088 -0.111 1.00 4.02 H new ATOM 0 HA LYS A 50 18.540 -12.543 0.807 1.00 44.04 H new ATOM 0 HB2 LYS A 50 16.698 -14.359 -0.742 1.00 73.42 H new ATOM 0 HB3 LYS A 50 18.117 -14.814 0.180 1.00 73.42 H new ATOM 0 HG2 LYS A 50 16.118 -13.224 1.713 1.00 1.23 H new ATOM 0 HG3 LYS A 50 15.536 -14.786 1.174 1.00 1.23 H new ATOM 0 HD2 LYS A 50 17.291 -15.965 2.326 1.00 52.33 H new ATOM 0 HD3 LYS A 50 18.232 -14.505 2.557 1.00 52.33 H new ATOM 0 HE2 LYS A 50 17.266 -14.345 4.610 1.00 11.23 H new ATOM 0 HE3 LYS A 50 15.795 -13.870 3.784 1.00 11.23 H new ATOM 0 HZ1 LYS A 50 15.412 -15.739 5.252 1.00 1.52 H new ATOM 0 HZ2 LYS A 50 15.156 -16.204 3.639 1.00 1.52 H new ATOM 0 HZ3 LYS A 50 16.581 -16.664 4.439 1.00 1.52 H new ATOM 733 N GLN A 51 17.944 -12.067 -2.354 1.00 21.24 N ATOM 734 CA GLN A 51 18.574 -11.830 -3.641 1.00 43.22 C ATOM 735 C GLN A 51 19.433 -10.565 -3.587 1.00 11.43 C ATOM 736 O GLN A 51 20.453 -10.473 -4.268 1.00 0.32 O ATOM 737 CB GLN A 51 17.529 -11.735 -4.754 1.00 72.42 C ATOM 738 CG GLN A 51 18.173 -11.925 -6.129 1.00 51.10 C ATOM 739 CD GLN A 51 18.817 -13.308 -6.247 1.00 15.01 C ATOM 740 OE1 GLN A 51 19.973 -13.454 -6.608 1.00 74.43 O ATOM 741 NE2 GLN A 51 18.006 -14.311 -5.923 1.00 31.33 N ATOM 0 H GLN A 51 16.939 -11.892 -2.332 1.00 21.24 H new ATOM 0 HA GLN A 51 19.222 -12.677 -3.867 1.00 43.22 H new ATOM 0 HB2 GLN A 51 16.760 -12.492 -4.601 1.00 72.42 H new ATOM 0 HB3 GLN A 51 17.034 -10.765 -4.711 1.00 72.42 H new ATOM 0 HG2 GLN A 51 17.420 -11.803 -6.907 1.00 51.10 H new ATOM 0 HG3 GLN A 51 18.926 -11.154 -6.291 1.00 51.10 H new ATOM 0 HE21 GLN A 51 17.049 -14.118 -5.629 1.00 31.33 H new ATOM 0 HE22 GLN A 51 18.341 -15.273 -5.969 1.00 31.33 H new ATOM 750 N TYR A 52 18.988 -9.621 -2.770 1.00 3.20 N ATOM 751 CA TYR A 52 19.703 -8.365 -2.618 1.00 23.12 C ATOM 752 C TYR A 52 21.013 -8.569 -1.853 1.00 15.24 C ATOM 753 O TYR A 52 22.076 -8.161 -2.316 1.00 65.43 O ATOM 754 CB TYR A 52 18.785 -7.454 -1.801 1.00 5.43 C ATOM 755 CG TYR A 52 18.735 -6.010 -2.303 1.00 52.55 C ATOM 756 CD1 TYR A 52 17.814 -5.645 -3.264 1.00 74.34 C ATOM 757 CD2 TYR A 52 19.610 -5.071 -1.796 1.00 3.10 C ATOM 758 CE1 TYR A 52 17.766 -4.286 -3.738 1.00 31.14 C ATOM 759 CE2 TYR A 52 19.563 -3.712 -2.269 1.00 54.22 C ATOM 760 CZ TYR A 52 18.643 -3.386 -3.217 1.00 32.53 C ATOM 761 OH TYR A 52 18.598 -2.103 -3.664 1.00 13.25 O ATOM 0 H TYR A 52 18.141 -9.701 -2.207 1.00 3.20 H new ATOM 0 HA TYR A 52 19.951 -7.944 -3.592 1.00 23.12 H new ATOM 0 HB2 TYR A 52 17.776 -7.867 -1.813 1.00 5.43 H new ATOM 0 HB3 TYR A 52 19.118 -7.456 -0.763 1.00 5.43 H new ATOM 0 HD1 TYR A 52 17.129 -6.379 -3.661 1.00 74.34 H new ATOM 0 HD2 TYR A 52 20.331 -5.356 -1.044 1.00 3.10 H new ATOM 0 HE1 TYR A 52 17.050 -3.988 -4.490 1.00 31.14 H new ATOM 0 HE2 TYR A 52 20.243 -2.968 -1.880 1.00 54.22 H new ATOM 0 HH TYR A 52 19.281 -1.572 -3.203 1.00 13.25 H new ATOM 771 N ALA A 53 20.891 -9.199 -0.694 1.00 24.14 N ATOM 772 CA ALA A 53 22.052 -9.462 0.140 1.00 0.23 C ATOM 773 C ALA A 53 23.053 -10.315 -0.641 1.00 45.30 C ATOM 774 O ALA A 53 24.263 -10.156 -0.487 1.00 3.44 O ATOM 775 CB ALA A 53 21.605 -10.132 1.441 1.00 61.20 C ATOM 0 H ALA A 53 20.007 -9.535 -0.313 1.00 24.14 H new ATOM 0 HA ALA A 53 22.551 -8.531 0.408 1.00 0.23 H new ATOM 0 HB1 ALA A 53 22.476 -10.329 2.066 1.00 61.20 H new ATOM 0 HB2 ALA A 53 20.918 -9.473 1.972 1.00 61.20 H new ATOM 0 HB3 ALA A 53 21.102 -11.072 1.212 1.00 61.20 H new ATOM 781 N ASN A 54 22.512 -11.201 -1.463 1.00 61.52 N ATOM 782 CA ASN A 54 23.343 -12.080 -2.269 1.00 42.21 C ATOM 783 C ASN A 54 24.056 -11.256 -3.343 1.00 62.13 C ATOM 784 O ASN A 54 25.221 -11.506 -3.651 1.00 12.53 O ATOM 785 CB ASN A 54 22.499 -13.144 -2.972 1.00 70.34 C ATOM 786 CG ASN A 54 22.429 -14.426 -2.141 1.00 31.55 C ATOM 787 OD1 ASN A 54 22.858 -14.481 -1.000 1.00 33.24 O ATOM 788 ND2 ASN A 54 21.866 -15.452 -2.773 1.00 40.24 N ATOM 0 H ASN A 54 21.508 -11.330 -1.589 1.00 61.52 H new ATOM 0 HA ASN A 54 24.059 -12.567 -1.608 1.00 42.21 H new ATOM 0 HB2 ASN A 54 21.493 -12.761 -3.142 1.00 70.34 H new ATOM 0 HB3 ASN A 54 22.926 -13.364 -3.951 1.00 70.34 H new ATOM 0 HD21 ASN A 54 21.773 -16.352 -2.302 1.00 40.24 H new ATOM 0 HD22 ASN A 54 21.527 -15.339 -3.728 1.00 40.24 H new ATOM 795 N ASP A 55 23.327 -10.291 -3.885 1.00 24.23 N ATOM 796 CA ASP A 55 23.876 -9.429 -4.918 1.00 73.20 C ATOM 797 C ASP A 55 25.039 -8.623 -4.339 1.00 5.53 C ATOM 798 O ASP A 55 25.894 -8.139 -5.080 1.00 13.32 O ATOM 799 CB ASP A 55 22.824 -8.442 -5.427 1.00 75.24 C ATOM 800 CG ASP A 55 23.274 -7.563 -6.596 1.00 74.21 C ATOM 801 OD1 ASP A 55 24.229 -6.782 -6.477 1.00 23.22 O ATOM 802 OD2 ASP A 55 22.589 -7.706 -7.680 1.00 42.53 O ATOM 0 H ASP A 55 22.361 -10.087 -3.628 1.00 24.23 H new ATOM 0 HA ASP A 55 24.208 -10.060 -5.742 1.00 73.20 H new ATOM 0 HB2 ASP A 55 21.940 -9.002 -5.732 1.00 75.24 H new ATOM 0 HB3 ASP A 55 22.523 -7.797 -4.602 1.00 75.24 H new ATOM 808 N ASN A 56 25.036 -8.503 -3.019 1.00 54.53 N ATOM 809 CA ASN A 56 26.080 -7.763 -2.332 1.00 4.30 C ATOM 810 C ASN A 56 27.204 -8.723 -1.938 1.00 23.12 C ATOM 811 O ASN A 56 28.325 -8.295 -1.665 1.00 53.22 O ATOM 812 CB ASN A 56 25.545 -7.112 -1.055 1.00 44.41 C ATOM 813 CG ASN A 56 24.531 -6.014 -1.383 1.00 2.12 C ATOM 814 OD1 ASN A 56 23.765 -6.283 -2.436 1.00 40.23 O flip ATOM 815 ND2 ASN A 56 24.450 -4.991 -0.723 1.00 14.32 N flip ATOM 0 H ASN A 56 24.326 -8.906 -2.407 1.00 54.53 H new ATOM 0 HA ASN A 56 26.444 -6.988 -3.007 1.00 4.30 H new ATOM 0 HB2 ASN A 56 25.076 -7.869 -0.426 1.00 44.41 H new ATOM 0 HB3 ASN A 56 26.372 -6.690 -0.484 1.00 44.41 H new ATOM 0 HD21 ASN A 56 25.070 -4.848 0.074 1.00 14.32 H new ATOM 0 HD22 ASN A 56 23.762 -4.279 -0.969 1.00 14.32 H new ATOM 822 N GLY A 57 26.866 -10.004 -1.920 1.00 12.10 N ATOM 823 CA GLY A 57 27.832 -11.029 -1.564 1.00 5.43 C ATOM 824 C GLY A 57 28.214 -10.933 -0.085 1.00 15.51 C ATOM 825 O GLY A 57 29.274 -11.408 0.319 1.00 74.12 O ATOM 0 H GLY A 57 25.936 -10.356 -2.146 1.00 12.10 H new ATOM 0 HA2 GLY A 57 27.415 -12.014 -1.772 1.00 5.43 H new ATOM 0 HA3 GLY A 57 28.724 -10.923 -2.181 1.00 5.43 H new ATOM 829 N VAL A 58 27.328 -10.314 0.682 1.00 20.04 N ATOM 830 CA VAL A 58 27.558 -10.149 2.108 1.00 62.54 C ATOM 831 C VAL A 58 26.589 -11.044 2.883 1.00 22.20 C ATOM 832 O VAL A 58 25.393 -11.063 2.598 1.00 71.33 O ATOM 833 CB VAL A 58 27.443 -8.672 2.489 1.00 24.21 C ATOM 834 CG1 VAL A 58 27.514 -8.491 4.007 1.00 55.24 C ATOM 835 CG2 VAL A 58 28.518 -7.840 1.787 1.00 51.40 C ATOM 0 H VAL A 58 26.450 -9.921 0.343 1.00 20.04 H new ATOM 0 HA VAL A 58 28.569 -10.461 2.371 1.00 62.54 H new ATOM 0 HB VAL A 58 26.470 -8.314 2.154 1.00 24.21 H new ATOM 0 HG11 VAL A 58 27.430 -7.432 4.251 1.00 55.24 H new ATOM 0 HG12 VAL A 58 26.697 -9.038 4.477 1.00 55.24 H new ATOM 0 HG13 VAL A 58 28.466 -8.874 4.375 1.00 55.24 H new ATOM 0 HG21 VAL A 58 28.414 -6.794 2.075 1.00 51.40 H new ATOM 0 HG22 VAL A 58 29.505 -8.200 2.078 1.00 51.40 H new ATOM 0 HG23 VAL A 58 28.402 -7.932 0.707 1.00 51.40 H new ATOM 845 N ASP A 59 27.142 -11.764 3.848 1.00 10.35 N ATOM 846 CA ASP A 59 26.342 -12.658 4.667 1.00 35.41 C ATOM 847 C ASP A 59 26.888 -12.660 6.096 1.00 35.34 C ATOM 848 O ASP A 59 28.095 -12.769 6.303 1.00 21.02 O ATOM 849 CB ASP A 59 26.401 -14.092 4.136 1.00 3.03 C ATOM 850 CG ASP A 59 25.600 -14.342 2.857 1.00 13.22 C ATOM 851 OD1 ASP A 59 24.949 -13.431 2.323 1.00 65.22 O ATOM 852 OD2 ASP A 59 25.661 -15.547 2.402 1.00 64.31 O ATOM 0 H ASP A 59 28.135 -11.746 4.081 1.00 10.35 H new ATOM 0 HA ASP A 59 25.311 -12.306 4.642 1.00 35.41 H new ATOM 0 HB2 ASP A 59 27.443 -14.352 3.951 1.00 3.03 H new ATOM 0 HB3 ASP A 59 26.037 -14.766 4.912 1.00 3.03 H new ATOM 858 N GLY A 60 25.971 -12.539 7.046 1.00 45.22 N ATOM 859 CA GLY A 60 26.346 -12.525 8.450 1.00 70.23 C ATOM 860 C GLY A 60 25.126 -12.750 9.345 1.00 54.20 C ATOM 861 O GLY A 60 24.513 -13.816 9.310 1.00 41.14 O ATOM 0 H GLY A 60 24.970 -12.450 6.871 1.00 45.22 H new ATOM 0 HA2 GLY A 60 27.089 -13.300 8.640 1.00 70.23 H new ATOM 0 HA3 GLY A 60 26.811 -11.571 8.696 1.00 70.23 H new ATOM 865 N GLU A 61 24.809 -11.728 10.127 1.00 51.05 N ATOM 866 CA GLU A 61 23.673 -11.800 11.029 1.00 32.45 C ATOM 867 C GLU A 61 22.450 -11.130 10.399 1.00 4.45 C ATOM 868 O GLU A 61 22.438 -9.916 10.199 1.00 21.13 O ATOM 869 CB GLU A 61 24.007 -11.170 12.383 1.00 61.30 C ATOM 870 CG GLU A 61 22.846 -11.333 13.366 1.00 73.44 C ATOM 871 CD GLU A 61 23.176 -10.695 14.716 1.00 3.31 C ATOM 872 OE1 GLU A 61 23.865 -9.664 14.763 1.00 72.44 O ATOM 873 OE2 GLU A 61 22.689 -11.306 15.742 1.00 24.22 O ATOM 0 H GLU A 61 25.320 -10.845 10.154 1.00 51.05 H new ATOM 0 HA GLU A 61 23.438 -12.850 11.202 1.00 32.45 H new ATOM 0 HB2 GLU A 61 24.903 -11.635 12.793 1.00 61.30 H new ATOM 0 HB3 GLU A 61 24.230 -10.111 12.250 1.00 61.30 H new ATOM 0 HG2 GLU A 61 21.948 -10.874 12.953 1.00 73.44 H new ATOM 0 HG3 GLU A 61 22.628 -12.392 13.504 1.00 73.44 H new ATOM 881 N TRP A 62 21.452 -11.949 10.104 1.00 30.04 N ATOM 882 CA TRP A 62 20.228 -11.450 9.501 1.00 32.22 C ATOM 883 C TRP A 62 19.212 -11.213 10.620 1.00 12.03 C ATOM 884 O TRP A 62 18.914 -12.120 11.396 1.00 70.12 O ATOM 885 CB TRP A 62 19.717 -12.409 8.424 1.00 43.12 C ATOM 886 CG TRP A 62 20.656 -12.554 7.224 1.00 0.13 C ATOM 887 CD1 TRP A 62 21.954 -12.889 7.228 1.00 54.32 C ATOM 888 CD2 TRP A 62 20.315 -12.354 5.836 1.00 12.23 C ATOM 889 NE1 TRP A 62 22.472 -12.919 5.949 1.00 13.20 N ATOM 890 CE2 TRP A 62 21.443 -12.583 5.076 1.00 23.30 C ATOM 891 CE3 TRP A 62 19.093 -11.991 5.243 1.00 71.10 C ATOM 892 CZ2 TRP A 62 21.462 -12.475 3.680 1.00 24.43 C ATOM 893 CZ3 TRP A 62 19.129 -11.887 3.847 1.00 34.42 C ATOM 894 CH2 TRP A 62 20.256 -12.115 3.067 1.00 24.04 C ATOM 0 H TRP A 62 21.466 -12.955 10.271 1.00 30.04 H new ATOM 0 HA TRP A 62 20.408 -10.505 8.988 1.00 32.22 H new ATOM 0 HB2 TRP A 62 19.561 -13.391 8.871 1.00 43.12 H new ATOM 0 HB3 TRP A 62 18.746 -12.060 8.073 1.00 43.12 H new ATOM 0 HD1 TRP A 62 22.523 -13.108 8.120 1.00 54.32 H new ATOM 0 HE1 TRP A 62 23.433 -13.146 5.692 1.00 13.20 H new ATOM 0 HE3 TRP A 62 18.198 -11.807 5.818 1.00 71.10 H new ATOM 0 HZ2 TRP A 62 22.359 -12.659 3.107 1.00 24.43 H new ATOM 0 HZ3 TRP A 62 18.216 -11.610 3.341 1.00 34.42 H new ATOM 0 HH2 TRP A 62 20.202 -12.015 1.993 1.00 24.04 H new ATOM 905 N THR A 63 18.708 -9.989 10.669 1.00 52.43 N ATOM 906 CA THR A 63 17.731 -9.621 11.680 1.00 45.40 C ATOM 907 C THR A 63 16.598 -8.804 11.055 1.00 23.42 C ATOM 908 O THR A 63 16.847 -7.873 10.292 1.00 44.42 O ATOM 909 CB THR A 63 18.467 -8.882 12.800 1.00 14.30 C ATOM 910 OG1 THR A 63 17.429 -8.482 13.691 1.00 2.32 O ATOM 911 CG2 THR A 63 19.080 -7.563 12.327 1.00 45.42 C ATOM 0 H THR A 63 18.958 -9.239 10.025 1.00 52.43 H new ATOM 0 HA THR A 63 17.255 -10.502 12.110 1.00 45.40 H new ATOM 0 HB THR A 63 19.251 -9.522 13.204 1.00 14.30 H new ATOM 0 HG1 THR A 63 17.817 -7.997 14.449 1.00 2.32 H new ATOM 0 HG21 THR A 63 19.590 -7.079 13.160 1.00 45.42 H new ATOM 0 HG22 THR A 63 19.795 -7.760 11.529 1.00 45.42 H new ATOM 0 HG23 THR A 63 18.292 -6.908 11.955 1.00 45.42 H new ATOM 919 N TYR A 64 15.377 -9.184 11.403 1.00 65.05 N ATOM 920 CA TYR A 64 14.205 -8.499 10.885 1.00 1.13 C ATOM 921 C TYR A 64 13.232 -8.149 12.013 1.00 4.13 C ATOM 922 O TYR A 64 13.022 -8.946 12.926 1.00 4.13 O ATOM 923 CB TYR A 64 13.527 -9.484 9.931 1.00 25.52 C ATOM 924 CG TYR A 64 12.020 -9.270 9.782 1.00 0.13 C ATOM 925 CD1 TYR A 64 11.538 -8.397 8.828 1.00 61.44 C ATOM 926 CD2 TYR A 64 11.142 -9.949 10.603 1.00 40.44 C ATOM 927 CE1 TYR A 64 10.119 -8.195 8.687 1.00 22.44 C ATOM 928 CE2 TYR A 64 9.723 -9.747 10.463 1.00 42.35 C ATOM 929 CZ TYR A 64 9.282 -8.880 9.512 1.00 72.12 C ATOM 930 OH TYR A 64 7.942 -8.689 9.379 1.00 32.34 O ATOM 0 H TYR A 64 15.174 -9.957 12.037 1.00 65.05 H new ATOM 0 HA TYR A 64 14.491 -7.570 10.392 1.00 1.13 H new ATOM 0 HB2 TYR A 64 13.994 -9.403 8.949 1.00 25.52 H new ATOM 0 HB3 TYR A 64 13.706 -10.499 10.286 1.00 25.52 H new ATOM 0 HD1 TYR A 64 12.225 -7.865 8.187 1.00 61.44 H new ATOM 0 HD2 TYR A 64 11.519 -10.632 11.350 1.00 40.44 H new ATOM 0 HE1 TYR A 64 9.729 -7.516 7.944 1.00 22.44 H new ATOM 0 HE2 TYR A 64 9.025 -10.272 11.098 1.00 42.35 H new ATOM 0 HH TYR A 64 7.463 -9.451 9.767 1.00 32.34 H new ATOM 940 N ASP A 65 12.665 -6.956 11.913 1.00 13.00 N ATOM 941 CA ASP A 65 11.719 -6.491 12.913 1.00 2.44 C ATOM 942 C ASP A 65 10.353 -6.279 12.258 1.00 31.12 C ATOM 943 O ASP A 65 10.168 -5.337 11.490 1.00 43.34 O ATOM 944 CB ASP A 65 12.166 -5.157 13.516 1.00 63.23 C ATOM 945 CG ASP A 65 12.957 -5.270 14.820 1.00 4.24 C ATOM 946 OD1 ASP A 65 13.672 -4.337 15.216 1.00 22.14 O ATOM 947 OD2 ASP A 65 12.816 -6.388 15.449 1.00 43.52 O ATOM 0 H ASP A 65 12.842 -6.297 11.155 1.00 13.00 H new ATOM 0 HA ASP A 65 11.664 -7.243 13.700 1.00 2.44 H new ATOM 0 HB2 ASP A 65 12.777 -4.630 12.783 1.00 63.23 H new ATOM 0 HB3 ASP A 65 11.284 -4.543 13.696 1.00 63.23 H new ATOM 953 N ASP A 66 9.430 -7.172 12.586 1.00 3.54 N ATOM 954 CA ASP A 66 8.086 -7.094 12.039 1.00 23.44 C ATOM 955 C ASP A 66 7.424 -5.797 12.507 1.00 52.00 C ATOM 956 O ASP A 66 6.462 -5.332 11.897 1.00 44.22 O ATOM 957 CB ASP A 66 7.227 -8.265 12.522 1.00 2.42 C ATOM 958 CG ASP A 66 5.972 -8.532 11.689 1.00 21.32 C ATOM 959 OD1 ASP A 66 5.115 -7.651 11.524 1.00 63.31 O ATOM 960 OD2 ASP A 66 5.891 -9.720 11.192 1.00 40.34 O ATOM 0 H ASP A 66 9.587 -7.953 13.223 1.00 3.54 H new ATOM 0 HA ASP A 66 8.161 -7.126 10.952 1.00 23.44 H new ATOM 0 HB2 ASP A 66 7.839 -9.167 12.529 1.00 2.42 H new ATOM 0 HB3 ASP A 66 6.927 -8.076 13.553 1.00 2.42 H new ATOM 966 N ALA A 67 7.964 -5.249 13.586 1.00 63.35 N ATOM 967 CA ALA A 67 7.438 -4.015 14.142 1.00 54.30 C ATOM 968 C ALA A 67 7.543 -2.903 13.096 1.00 71.21 C ATOM 969 O ALA A 67 6.738 -1.973 13.090 1.00 3.23 O ATOM 970 CB ALA A 67 8.188 -3.675 15.431 1.00 13.24 C ATOM 0 H ALA A 67 8.761 -5.638 14.090 1.00 63.35 H new ATOM 0 HA ALA A 67 6.385 -4.128 14.398 1.00 54.30 H new ATOM 0 HB1 ALA A 67 7.793 -2.749 15.848 1.00 13.24 H new ATOM 0 HB2 ALA A 67 8.057 -4.482 16.152 1.00 13.24 H new ATOM 0 HB3 ALA A 67 9.249 -3.551 15.213 1.00 13.24 H new ATOM 976 N THR A 68 8.542 -3.037 12.236 1.00 53.33 N ATOM 977 CA THR A 68 8.763 -2.055 11.187 1.00 32.23 C ATOM 978 C THR A 68 9.055 -2.752 9.857 1.00 32.41 C ATOM 979 O THR A 68 9.481 -2.112 8.897 1.00 31.31 O ATOM 980 CB THR A 68 9.886 -1.121 11.643 1.00 35.21 C ATOM 981 OG1 THR A 68 11.008 -1.983 11.811 1.00 34.31 O ATOM 982 CG2 THR A 68 9.641 -0.551 13.042 1.00 42.23 C ATOM 0 H THR A 68 9.207 -3.810 12.244 1.00 53.33 H new ATOM 0 HA THR A 68 7.871 -1.454 11.014 1.00 32.23 H new ATOM 0 HB THR A 68 9.989 -0.303 10.930 1.00 35.21 H new ATOM 0 HG1 THR A 68 11.782 -1.459 12.104 1.00 34.31 H new ATOM 0 HG21 THR A 68 10.467 0.105 13.317 1.00 42.23 H new ATOM 0 HG22 THR A 68 8.710 0.016 13.046 1.00 42.23 H new ATOM 0 HG23 THR A 68 9.571 -1.368 13.761 1.00 42.23 H new ATOM 990 N LYS A 69 8.814 -4.055 9.843 1.00 33.11 N ATOM 991 CA LYS A 69 9.046 -4.846 8.647 1.00 75.25 C ATOM 992 C LYS A 69 10.338 -4.379 7.974 1.00 20.31 C ATOM 993 O LYS A 69 10.326 -3.973 6.813 1.00 2.22 O ATOM 994 CB LYS A 69 7.823 -4.799 7.728 1.00 33.41 C ATOM 995 CG LYS A 69 6.821 -5.897 8.092 1.00 30.05 C ATOM 996 CD LYS A 69 5.858 -5.421 9.182 1.00 51.33 C ATOM 997 CE LYS A 69 4.585 -4.833 8.569 1.00 32.33 C ATOM 998 NZ LYS A 69 4.871 -3.531 7.928 1.00 5.41 N ATOM 0 H LYS A 69 8.460 -4.582 10.641 1.00 33.11 H new ATOM 0 HA LYS A 69 9.182 -5.896 8.906 1.00 75.25 H new ATOM 0 HB2 LYS A 69 7.343 -3.823 7.805 1.00 33.41 H new ATOM 0 HB3 LYS A 69 8.138 -4.918 6.691 1.00 33.41 H new ATOM 0 HG2 LYS A 69 6.257 -6.188 7.206 1.00 30.05 H new ATOM 0 HG3 LYS A 69 7.355 -6.783 8.435 1.00 30.05 H new ATOM 0 HD2 LYS A 69 5.600 -6.255 9.834 1.00 51.33 H new ATOM 0 HD3 LYS A 69 6.348 -4.670 9.803 1.00 51.33 H new ATOM 0 HE2 LYS A 69 4.176 -5.525 7.833 1.00 32.33 H new ATOM 0 HE3 LYS A 69 3.827 -4.705 9.342 1.00 32.33 H new ATOM 0 HZ1 LYS A 69 3.989 -2.987 7.837 1.00 5.41 H new ATOM 0 HZ2 LYS A 69 5.548 -2.998 8.511 1.00 5.41 H new ATOM 0 HZ3 LYS A 69 5.278 -3.691 6.984 1.00 5.41 H new ATOM 1011 N THR A 70 11.422 -4.453 8.732 1.00 10.14 N ATOM 1012 CA THR A 70 12.720 -4.043 8.224 1.00 1.23 C ATOM 1013 C THR A 70 13.772 -5.112 8.524 1.00 61.43 C ATOM 1014 O THR A 70 13.799 -5.673 9.618 1.00 13.24 O ATOM 1015 CB THR A 70 13.054 -2.677 8.827 1.00 14.22 C ATOM 1016 OG1 THR A 70 12.287 -1.759 8.053 1.00 54.12 O ATOM 1017 CG2 THR A 70 14.503 -2.261 8.569 1.00 24.13 C ATOM 0 H THR A 70 11.428 -4.791 9.694 1.00 10.14 H new ATOM 0 HA THR A 70 12.705 -3.941 7.139 1.00 1.23 H new ATOM 0 HB THR A 70 12.869 -2.700 9.901 1.00 14.22 H new ATOM 0 HG1 THR A 70 11.343 -1.826 8.307 1.00 54.12 H new ATOM 0 HG21 THR A 70 14.687 -1.285 9.018 1.00 24.13 H new ATOM 0 HG22 THR A 70 15.177 -2.996 9.010 1.00 24.13 H new ATOM 0 HG23 THR A 70 14.680 -2.205 7.495 1.00 24.13 H new ATOM 1025 N PHE A 71 14.613 -5.364 7.531 1.00 4.55 N ATOM 1026 CA PHE A 71 15.665 -6.356 7.675 1.00 71.12 C ATOM 1027 C PHE A 71 17.048 -5.706 7.596 1.00 55.54 C ATOM 1028 O PHE A 71 17.263 -4.792 6.801 1.00 51.21 O ATOM 1029 CB PHE A 71 15.511 -7.342 6.515 1.00 52.42 C ATOM 1030 CG PHE A 71 14.103 -7.924 6.376 1.00 53.44 C ATOM 1031 CD1 PHE A 71 13.067 -7.119 6.016 1.00 72.12 C ATOM 1032 CD2 PHE A 71 13.887 -9.246 6.612 1.00 51.54 C ATOM 1033 CE1 PHE A 71 11.760 -7.659 5.887 1.00 70.44 C ATOM 1034 CE2 PHE A 71 12.580 -9.786 6.482 1.00 1.34 C ATOM 1035 CZ PHE A 71 11.544 -8.981 6.123 1.00 62.34 C ATOM 0 H PHE A 71 14.587 -4.898 6.624 1.00 4.55 H new ATOM 0 HA PHE A 71 15.581 -6.849 8.643 1.00 71.12 H new ATOM 0 HB2 PHE A 71 15.778 -6.839 5.586 1.00 52.42 H new ATOM 0 HB3 PHE A 71 16.219 -8.159 6.650 1.00 52.42 H new ATOM 0 HD1 PHE A 71 13.239 -6.069 5.828 1.00 72.12 H new ATOM 0 HD2 PHE A 71 14.709 -9.885 6.898 1.00 51.54 H new ATOM 0 HE1 PHE A 71 10.937 -7.020 5.601 1.00 70.44 H new ATOM 0 HE2 PHE A 71 12.409 -10.836 6.668 1.00 1.34 H new ATOM 0 HZ PHE A 71 10.550 -9.392 6.025 1.00 62.34 H new ATOM 1045 N THR A 72 17.949 -6.202 8.430 1.00 34.15 N ATOM 1046 CA THR A 72 19.304 -5.681 8.465 1.00 44.41 C ATOM 1047 C THR A 72 20.318 -6.826 8.411 1.00 14.42 C ATOM 1048 O THR A 72 20.184 -7.812 9.134 1.00 3.21 O ATOM 1049 CB THR A 72 19.443 -4.805 9.712 1.00 54.01 C ATOM 1050 OG1 THR A 72 18.192 -4.128 9.801 1.00 33.34 O ATOM 1051 CG2 THR A 72 20.463 -3.680 9.527 1.00 14.41 C ATOM 0 H THR A 72 17.767 -6.960 9.088 1.00 34.15 H new ATOM 0 HA THR A 72 19.512 -5.063 7.591 1.00 44.41 H new ATOM 0 HB THR A 72 19.736 -5.424 10.560 1.00 54.01 H new ATOM 0 HG1 THR A 72 18.194 -3.539 10.584 1.00 33.34 H new ATOM 0 HG21 THR A 72 20.523 -3.089 10.441 1.00 14.41 H new ATOM 0 HG22 THR A 72 21.441 -4.108 9.307 1.00 14.41 H new ATOM 0 HG23 THR A 72 20.153 -3.040 8.701 1.00 14.41 H new ATOM 1059 N VAL A 73 21.308 -6.657 7.548 1.00 40.35 N ATOM 1060 CA VAL A 73 22.344 -7.664 7.390 1.00 55.21 C ATOM 1061 C VAL A 73 23.665 -7.120 7.936 1.00 22.03 C ATOM 1062 O VAL A 73 24.182 -6.120 7.440 1.00 70.44 O ATOM 1063 CB VAL A 73 22.435 -8.096 5.925 1.00 52.31 C ATOM 1064 CG1 VAL A 73 23.726 -7.586 5.283 1.00 44.15 C ATOM 1065 CG2 VAL A 73 22.319 -9.616 5.793 1.00 5.43 C ATOM 0 H VAL A 73 21.415 -5.838 6.950 1.00 40.35 H new ATOM 0 HA VAL A 73 22.099 -8.558 7.964 1.00 55.21 H new ATOM 0 HB VAL A 73 21.596 -7.649 5.391 1.00 52.31 H new ATOM 0 HG11 VAL A 73 23.766 -7.907 4.242 1.00 44.15 H new ATOM 0 HG12 VAL A 73 23.749 -6.497 5.328 1.00 44.15 H new ATOM 0 HG13 VAL A 73 24.584 -7.990 5.820 1.00 44.15 H new ATOM 0 HG21 VAL A 73 22.387 -9.896 4.742 1.00 5.43 H new ATOM 0 HG22 VAL A 73 23.127 -10.092 6.348 1.00 5.43 H new ATOM 0 HG23 VAL A 73 21.360 -9.944 6.195 1.00 5.43 H new ATOM 1075 N THR A 74 24.174 -7.802 8.952 1.00 63.24 N ATOM 1076 CA THR A 74 25.426 -7.400 9.571 1.00 72.12 C ATOM 1077 C THR A 74 26.533 -8.400 9.233 1.00 43.00 C ATOM 1078 O THR A 74 26.420 -9.585 9.541 1.00 32.35 O ATOM 1079 CB THR A 74 25.182 -7.248 11.074 1.00 42.25 C ATOM 1080 OG1 THR A 74 23.886 -6.662 11.158 1.00 40.15 O ATOM 1081 CG2 THR A 74 26.104 -6.207 11.714 1.00 74.44 C ATOM 0 H THR A 74 23.742 -8.630 9.362 1.00 63.24 H new ATOM 0 HA THR A 74 25.769 -6.441 9.184 1.00 72.12 H new ATOM 0 HB THR A 74 25.326 -8.211 11.564 1.00 42.25 H new ATOM 0 HG1 THR A 74 23.647 -6.530 12.099 1.00 40.15 H new ATOM 0 HG21 THR A 74 25.890 -6.138 12.781 1.00 74.44 H new ATOM 0 HG22 THR A 74 27.143 -6.504 11.571 1.00 74.44 H new ATOM 0 HG23 THR A 74 25.937 -5.236 11.247 1.00 74.44 H new ATOM 1089 N GLU A 75 27.579 -7.885 8.604 1.00 64.34 N ATOM 1090 CA GLU A 75 28.707 -8.718 8.220 1.00 33.34 C ATOM 1091 C GLU A 75 29.669 -8.883 9.398 1.00 22.43 C ATOM 1092 O GLU A 75 30.303 -9.927 9.545 1.00 62.22 O ATOM 1093 CB GLU A 75 29.427 -8.139 7.001 1.00 73.40 C ATOM 1094 CG GLU A 75 29.968 -9.254 6.103 1.00 34.02 C ATOM 1095 CD GLU A 75 31.342 -9.725 6.582 1.00 45.12 C ATOM 1096 OE1 GLU A 75 32.143 -8.911 7.065 1.00 11.35 O ATOM 1097 OE2 GLU A 75 31.567 -10.987 6.438 1.00 30.11 O ATOM 0 H GLU A 75 27.670 -6.901 8.350 1.00 64.34 H new ATOM 0 HA GLU A 75 28.329 -9.702 7.943 1.00 33.34 H new ATOM 0 HB2 GLU A 75 28.741 -7.511 6.433 1.00 73.40 H new ATOM 0 HB3 GLU A 75 30.247 -7.500 7.328 1.00 73.40 H new ATOM 0 HG2 GLU A 75 29.272 -10.093 6.100 1.00 34.02 H new ATOM 0 HG3 GLU A 75 30.040 -8.896 5.076 1.00 34.02 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -2.058 -5.330 -13.196 1.00 12.33 LA