USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.25! C(o=-3.3!,f=-8.5!) USER MOD Set 2.1: A 22 ASN : amide:sc= 0.0863 K(o=0.086,f=-3.8!) USER MOD Set 2.2: A 44 ASN : amide:sc= 0 K(o=0.086,f=0.75) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.213 USER MOD Single : A 7 TYR OH : rot 150:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 17 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.113 (180deg=-0.522) USER MOD Single : A 25 HIS : no HE2:sc= -1.99! C(o=-2!,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0743 (180deg=-0.396) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.89! C(o=-1.9!,f=-0.93!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.88) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.497 K(o=0.5,f=-0.63) USER MOD Single : A 61 TYR OH : rot 69:sc= 0.809 USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.995) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.734 -14.122 -2.213 1.00 53.33 N ATOM 2 CA LYS A 1 -21.750 -12.877 -1.464 1.00 63.52 C ATOM 3 C LYS A 1 -20.385 -12.227 -1.552 1.00 52.13 C ATOM 4 O LYS A 1 -19.405 -12.782 -1.056 1.00 24.22 O ATOM 5 CB LYS A 1 -22.125 -13.159 -0.003 1.00 30.40 C ATOM 6 CG LYS A 1 -22.190 -11.932 0.885 1.00 34.42 C ATOM 7 CD LYS A 1 -22.680 -12.281 2.287 1.00 23.45 C ATOM 8 CE LYS A 1 -21.778 -13.274 3.014 1.00 4.25 C ATOM 9 NZ LYS A 1 -22.309 -13.613 4.352 1.00 43.11 N ATOM 0 H1 LYS A 1 -22.669 -14.573 -2.156 1.00 53.33 H new ATOM 0 H2 LYS A 1 -21.504 -13.926 -3.208 1.00 53.33 H new ATOM 0 H3 LYS A 1 -21.017 -14.760 -1.811 1.00 53.33 H new ATOM 0 HA LYS A 1 -22.492 -12.198 -1.884 1.00 63.52 H new ATOM 0 HB2 LYS A 1 -23.094 -13.658 0.019 1.00 30.40 H new ATOM 0 HB3 LYS A 1 -21.399 -13.855 0.416 1.00 30.40 H new ATOM 0 HG2 LYS A 1 -21.203 -11.474 0.947 1.00 34.42 H new ATOM 0 HG3 LYS A 1 -22.856 -11.194 0.439 1.00 34.42 H new ATOM 0 HD2 LYS A 1 -22.752 -11.367 2.877 1.00 23.45 H new ATOM 0 HD3 LYS A 1 -23.685 -12.697 2.220 1.00 23.45 H new ATOM 0 HE2 LYS A 1 -21.682 -14.182 2.419 1.00 4.25 H new ATOM 0 HE3 LYS A 1 -20.778 -12.852 3.115 1.00 4.25 H new ATOM 0 HZ1 LYS A 1 -21.671 -14.290 4.817 1.00 43.11 H new ATOM 0 HZ2 LYS A 1 -22.377 -12.749 4.927 1.00 43.11 H new ATOM 0 HZ3 LYS A 1 -23.253 -14.039 4.253 1.00 43.11 H new ATOM 23 N PRO A 2 -20.285 -11.056 -2.212 1.00 24.03 N ATOM 24 CA PRO A 2 -19.019 -10.363 -2.387 1.00 52.54 C ATOM 25 C PRO A 2 -18.470 -9.780 -1.084 1.00 13.23 C ATOM 26 O PRO A 2 -18.832 -8.669 -0.665 1.00 14.22 O ATOM 27 CB PRO A 2 -19.324 -9.247 -3.403 1.00 62.02 C ATOM 28 CG PRO A 2 -20.689 -9.546 -3.925 1.00 30.11 C ATOM 29 CD PRO A 2 -21.389 -10.326 -2.854 1.00 22.32 C ATOM 0 HA PRO A 2 -18.244 -11.050 -2.728 1.00 52.54 H new ATOM 0 HB2 PRO A 2 -19.291 -8.266 -2.930 1.00 62.02 H new ATOM 0 HB3 PRO A 2 -18.589 -9.238 -4.208 1.00 62.02 H new ATOM 0 HG2 PRO A 2 -21.228 -8.626 -4.151 1.00 30.11 H new ATOM 0 HG3 PRO A 2 -20.634 -10.119 -4.850 1.00 30.11 H new ATOM 0 HD2 PRO A 2 -21.906 -9.674 -2.150 1.00 22.32 H new ATOM 0 HD3 PRO A 2 -22.135 -11.003 -3.269 1.00 22.32 H new ATOM 37 N VAL A 3 -17.694 -10.572 -0.409 1.00 14.13 N ATOM 38 CA VAL A 3 -16.990 -10.152 0.774 1.00 70.51 C ATOM 39 C VAL A 3 -15.506 -10.091 0.478 1.00 44.04 C ATOM 40 O VAL A 3 -15.027 -10.734 -0.476 1.00 75.12 O ATOM 41 CB VAL A 3 -17.266 -11.070 1.998 1.00 22.23 C ATOM 42 CG1 VAL A 3 -18.712 -10.944 2.441 1.00 75.23 C ATOM 43 CG2 VAL A 3 -16.955 -12.523 1.670 1.00 4.54 C ATOM 0 H VAL A 3 -17.526 -11.545 -0.665 1.00 14.13 H new ATOM 0 HA VAL A 3 -17.358 -9.162 1.044 1.00 70.51 H new ATOM 0 HB VAL A 3 -16.614 -10.749 2.810 1.00 22.23 H new ATOM 0 HG11 VAL A 3 -18.888 -11.593 3.299 1.00 75.23 H new ATOM 0 HG12 VAL A 3 -18.918 -9.911 2.720 1.00 75.23 H new ATOM 0 HG13 VAL A 3 -19.370 -11.237 1.623 1.00 75.23 H new ATOM 0 HG21 VAL A 3 -17.156 -13.144 2.543 1.00 4.54 H new ATOM 0 HG22 VAL A 3 -17.580 -12.850 0.839 1.00 4.54 H new ATOM 0 HG23 VAL A 3 -15.905 -12.617 1.393 1.00 4.54 H new ATOM 53 N SER A 4 -14.781 -9.344 1.251 1.00 11.21 N ATOM 54 CA SER A 4 -13.370 -9.235 1.047 1.00 0.33 C ATOM 55 C SER A 4 -12.621 -10.186 1.970 1.00 1.13 C ATOM 56 O SER A 4 -12.363 -9.872 3.130 1.00 53.41 O ATOM 57 CB SER A 4 -12.912 -7.793 1.249 1.00 71.15 C ATOM 58 OG SER A 4 -13.624 -6.924 0.376 1.00 71.53 O ATOM 0 H SER A 4 -15.145 -8.798 2.032 1.00 11.21 H new ATOM 0 HA SER A 4 -13.143 -9.519 0.019 1.00 0.33 H new ATOM 0 HB2 SER A 4 -13.075 -7.494 2.284 1.00 71.15 H new ATOM 0 HB3 SER A 4 -11.842 -7.714 1.059 1.00 71.15 H new ATOM 0 HG SER A 4 -13.323 -6.002 0.516 1.00 71.53 H new ATOM 64 N LEU A 5 -12.333 -11.371 1.476 1.00 13.50 N ATOM 65 CA LEU A 5 -11.577 -12.342 2.249 1.00 3.25 C ATOM 66 C LEU A 5 -10.119 -12.252 1.885 1.00 63.34 C ATOM 67 O LEU A 5 -9.239 -12.645 2.657 1.00 72.41 O ATOM 68 CB LEU A 5 -12.099 -13.764 2.027 1.00 71.30 C ATOM 69 CG LEU A 5 -13.557 -14.005 2.414 1.00 61.55 C ATOM 70 CD1 LEU A 5 -13.942 -15.455 2.189 1.00 45.42 C ATOM 71 CD2 LEU A 5 -13.813 -13.594 3.854 1.00 73.04 C ATOM 0 H LEU A 5 -12.608 -11.688 0.546 1.00 13.50 H new ATOM 0 HA LEU A 5 -11.701 -12.111 3.307 1.00 3.25 H new ATOM 0 HB2 LEU A 5 -11.976 -14.016 0.974 1.00 71.30 H new ATOM 0 HB3 LEU A 5 -11.473 -14.453 2.594 1.00 71.30 H new ATOM 0 HG LEU A 5 -14.183 -13.385 1.772 1.00 61.55 H new ATOM 0 HD11 LEU A 5 -14.984 -15.603 2.471 1.00 45.42 H new ATOM 0 HD12 LEU A 5 -13.812 -15.707 1.136 1.00 45.42 H new ATOM 0 HD13 LEU A 5 -13.307 -16.099 2.797 1.00 45.42 H new ATOM 0 HD21 LEU A 5 -14.858 -13.776 4.104 1.00 73.04 H new ATOM 0 HD22 LEU A 5 -13.174 -14.177 4.518 1.00 73.04 H new ATOM 0 HD23 LEU A 5 -13.590 -12.534 3.975 1.00 73.04 H new ATOM 83 N SER A 6 -9.866 -11.746 0.708 1.00 0.53 N ATOM 84 CA SER A 6 -8.536 -11.526 0.261 1.00 14.41 C ATOM 85 C SER A 6 -8.134 -10.086 0.572 1.00 42.05 C ATOM 86 O SER A 6 -8.673 -9.126 -0.009 1.00 33.21 O ATOM 87 CB SER A 6 -8.408 -11.857 -1.239 1.00 74.51 C ATOM 88 OG SER A 6 -9.365 -11.145 -2.019 1.00 52.02 O ATOM 0 H SER A 6 -10.586 -11.477 0.037 1.00 0.53 H new ATOM 0 HA SER A 6 -7.852 -12.191 0.788 1.00 14.41 H new ATOM 0 HB2 SER A 6 -7.403 -11.610 -1.582 1.00 74.51 H new ATOM 0 HB3 SER A 6 -8.542 -12.928 -1.388 1.00 74.51 H new ATOM 0 HG SER A 6 -9.495 -10.251 -1.640 1.00 52.02 H new ATOM 94 N TYR A 7 -7.250 -9.930 1.519 1.00 63.35 N ATOM 95 CA TYR A 7 -6.779 -8.628 1.900 1.00 50.53 C ATOM 96 C TYR A 7 -5.593 -8.299 1.032 1.00 42.04 C ATOM 97 O TYR A 7 -4.516 -8.870 1.187 1.00 31.24 O ATOM 98 CB TYR A 7 -6.406 -8.611 3.389 1.00 65.13 C ATOM 99 CG TYR A 7 -5.978 -7.258 3.933 1.00 72.41 C ATOM 100 CD1 TYR A 7 -6.911 -6.378 4.463 1.00 13.11 C ATOM 101 CD2 TYR A 7 -4.646 -6.871 3.929 1.00 22.52 C ATOM 102 CE1 TYR A 7 -6.527 -5.153 4.970 1.00 72.22 C ATOM 103 CE2 TYR A 7 -4.254 -5.653 4.434 1.00 44.41 C ATOM 104 CZ TYR A 7 -5.194 -4.797 4.951 1.00 4.23 C ATOM 105 OH TYR A 7 -4.798 -3.576 5.461 1.00 55.31 O ATOM 0 H TYR A 7 -6.837 -10.699 2.046 1.00 63.35 H new ATOM 0 HA TYR A 7 -7.557 -7.878 1.758 1.00 50.53 H new ATOM 0 HB2 TYR A 7 -7.262 -8.962 3.966 1.00 65.13 H new ATOM 0 HB3 TYR A 7 -5.597 -9.323 3.553 1.00 65.13 H new ATOM 0 HD1 TYR A 7 -7.954 -6.656 4.479 1.00 13.11 H new ATOM 0 HD2 TYR A 7 -3.902 -7.539 3.521 1.00 22.52 H new ATOM 0 HE1 TYR A 7 -7.264 -4.478 5.379 1.00 72.22 H new ATOM 0 HE2 TYR A 7 -3.211 -5.372 4.424 1.00 44.41 H new ATOM 0 HH TYR A 7 -3.887 -3.649 5.816 1.00 55.31 H new ATOM 115 N ARG A 8 -5.800 -7.428 0.093 1.00 71.14 N ATOM 116 CA ARG A 8 -4.771 -7.097 -0.840 1.00 23.11 C ATOM 117 C ARG A 8 -4.019 -5.869 -0.412 1.00 13.50 C ATOM 118 O ARG A 8 -4.464 -4.743 -0.666 1.00 42.35 O ATOM 119 CB ARG A 8 -5.324 -6.921 -2.260 1.00 13.54 C ATOM 120 CG ARG A 8 -5.998 -8.163 -2.829 1.00 23.43 C ATOM 121 CD ARG A 8 -5.038 -9.341 -2.892 1.00 40.34 C ATOM 122 NE ARG A 8 -5.678 -10.537 -3.439 1.00 32.13 N ATOM 123 CZ ARG A 8 -5.134 -11.760 -3.450 1.00 54.30 C ATOM 124 NH1 ARG A 8 -3.937 -11.971 -2.912 1.00 14.22 N ATOM 125 NH2 ARG A 8 -5.793 -12.770 -3.985 1.00 4.20 N ATOM 0 H ARG A 8 -6.680 -6.931 -0.047 1.00 71.14 H new ATOM 0 HA ARG A 8 -4.075 -7.936 -0.855 1.00 23.11 H new ATOM 0 HB2 ARG A 8 -6.042 -6.101 -2.259 1.00 13.54 H new ATOM 0 HB3 ARG A 8 -4.508 -6.629 -2.921 1.00 13.54 H new ATOM 0 HG2 ARG A 8 -6.858 -8.426 -2.213 1.00 23.43 H new ATOM 0 HG3 ARG A 8 -6.376 -7.947 -3.828 1.00 23.43 H new ATOM 0 HD2 ARG A 8 -4.178 -9.076 -3.507 1.00 40.34 H new ATOM 0 HD3 ARG A 8 -4.661 -9.556 -1.892 1.00 40.34 H new ATOM 0 HE ARG A 8 -6.609 -10.431 -3.842 1.00 32.13 H new ATOM 0 HH11 ARG A 8 -3.426 -11.198 -2.486 1.00 14.22 H new ATOM 0 HH12 ARG A 8 -3.530 -12.906 -2.925 1.00 14.22 H new ATOM 0 HH21 ARG A 8 -6.717 -12.619 -4.390 1.00 4.20 H new ATOM 0 HH22 ARG A 8 -5.379 -13.702 -3.994 1.00 4.20 H new ATOM 139 N CYS A 9 -2.926 -6.101 0.303 1.00 62.03 N ATOM 140 CA CYS A 9 -1.961 -5.066 0.703 1.00 32.34 C ATOM 141 C CYS A 9 -2.564 -4.035 1.707 1.00 40.42 C ATOM 142 O CYS A 9 -3.792 -3.954 1.875 1.00 53.43 O ATOM 143 CB CYS A 9 -1.439 -4.366 -0.564 1.00 74.11 C ATOM 144 SG CYS A 9 -0.965 -5.532 -1.892 1.00 70.14 S ATOM 0 H CYS A 9 -2.673 -7.033 0.632 1.00 62.03 H new ATOM 0 HA CYS A 9 -1.138 -5.548 1.232 1.00 32.34 H new ATOM 0 HB2 CYS A 9 -2.207 -3.691 -0.940 1.00 74.11 H new ATOM 0 HB3 CYS A 9 -0.576 -3.753 -0.303 1.00 74.11 H new ATOM 149 N PRO A 10 -1.697 -3.271 2.444 1.00 10.41 N ATOM 150 CA PRO A 10 -2.134 -2.195 3.354 1.00 12.44 C ATOM 151 C PRO A 10 -3.163 -1.264 2.704 1.00 0.35 C ATOM 152 O PRO A 10 -4.163 -0.892 3.331 1.00 44.45 O ATOM 153 CB PRO A 10 -0.840 -1.439 3.638 1.00 64.40 C ATOM 154 CG PRO A 10 0.201 -2.490 3.581 1.00 33.22 C ATOM 155 CD PRO A 10 -0.226 -3.437 2.489 1.00 32.02 C ATOM 0 HA PRO A 10 -2.627 -2.585 4.245 1.00 12.44 H new ATOM 0 HB2 PRO A 10 -0.662 -0.659 2.898 1.00 64.40 H new ATOM 0 HB3 PRO A 10 -0.866 -0.954 4.614 1.00 64.40 H new ATOM 0 HG2 PRO A 10 1.179 -2.060 3.364 1.00 33.22 H new ATOM 0 HG3 PRO A 10 0.285 -3.008 4.536 1.00 33.22 H new ATOM 0 HD2 PRO A 10 0.236 -3.184 1.535 1.00 32.02 H new ATOM 0 HD3 PRO A 10 0.055 -4.465 2.717 1.00 32.02 H new ATOM 163 N CYS A 11 -2.930 -0.906 1.464 1.00 44.30 N ATOM 164 CA CYS A 11 -3.855 -0.089 0.728 1.00 4.30 C ATOM 165 C CYS A 11 -4.080 -0.671 -0.637 1.00 12.54 C ATOM 166 O CYS A 11 -3.139 -0.902 -1.383 1.00 45.13 O ATOM 167 CB CYS A 11 -3.378 1.357 0.641 1.00 42.51 C ATOM 168 SG CYS A 11 -3.297 2.203 2.259 1.00 21.13 S ATOM 0 H CYS A 11 -2.096 -1.173 0.941 1.00 44.30 H new ATOM 0 HA CYS A 11 -4.805 -0.079 1.263 1.00 4.30 H new ATOM 0 HB2 CYS A 11 -2.390 1.377 0.181 1.00 42.51 H new ATOM 0 HB3 CYS A 11 -4.047 1.912 -0.016 1.00 42.51 H new ATOM 173 N ARG A 12 -5.325 -0.925 -0.949 1.00 23.14 N ATOM 174 CA ARG A 12 -5.689 -1.512 -2.213 1.00 33.12 C ATOM 175 C ARG A 12 -5.750 -0.429 -3.284 1.00 62.33 C ATOM 176 O ARG A 12 -5.677 -0.708 -4.482 1.00 10.15 O ATOM 177 CB ARG A 12 -7.030 -2.210 -2.065 1.00 64.44 C ATOM 178 CG ARG A 12 -7.431 -3.070 -3.243 1.00 54.55 C ATOM 179 CD ARG A 12 -8.740 -3.777 -2.971 1.00 71.31 C ATOM 180 NE ARG A 12 -8.690 -4.573 -1.728 1.00 3.13 N ATOM 181 CZ ARG A 12 -9.174 -5.813 -1.561 1.00 53.12 C ATOM 182 NH1 ARG A 12 -9.812 -6.439 -2.558 1.00 4.21 N ATOM 183 NH2 ARG A 12 -9.036 -6.409 -0.383 1.00 51.03 N ATOM 0 H ARG A 12 -6.115 -0.731 -0.334 1.00 23.14 H new ATOM 0 HA ARG A 12 -4.942 -2.246 -2.517 1.00 33.12 H new ATOM 0 HB2 ARG A 12 -7.003 -2.833 -1.171 1.00 64.44 H new ATOM 0 HB3 ARG A 12 -7.801 -1.456 -1.905 1.00 64.44 H new ATOM 0 HG2 ARG A 12 -7.525 -2.451 -4.135 1.00 54.55 H new ATOM 0 HG3 ARG A 12 -6.651 -3.804 -3.445 1.00 54.55 H new ATOM 0 HD2 ARG A 12 -9.541 -3.042 -2.899 1.00 71.31 H new ATOM 0 HD3 ARG A 12 -8.981 -4.430 -3.810 1.00 71.31 H new ATOM 0 HE ARG A 12 -8.245 -4.139 -0.919 1.00 3.13 H new ATOM 0 HH11 ARG A 12 -9.935 -5.973 -3.457 1.00 4.21 H new ATOM 0 HH12 ARG A 12 -10.175 -7.382 -2.418 1.00 4.21 H new ATOM 0 HH21 ARG A 12 -8.567 -5.924 0.382 1.00 51.03 H new ATOM 0 HH22 ARG A 12 -9.399 -7.352 -0.243 1.00 51.03 H new ATOM 197 N PHE A 13 -5.877 0.806 -2.842 1.00 3.41 N ATOM 198 CA PHE A 13 -5.920 1.940 -3.730 1.00 64.11 C ATOM 199 C PHE A 13 -4.928 2.989 -3.256 1.00 43.02 C ATOM 200 O PHE A 13 -4.557 3.018 -2.072 1.00 13.02 O ATOM 201 CB PHE A 13 -7.336 2.545 -3.793 1.00 12.22 C ATOM 202 CG PHE A 13 -8.396 1.596 -4.287 1.00 64.52 C ATOM 203 CD1 PHE A 13 -8.566 1.377 -5.643 1.00 3.31 C ATOM 204 CD2 PHE A 13 -9.214 0.919 -3.395 1.00 33.12 C ATOM 205 CE1 PHE A 13 -9.532 0.504 -6.102 1.00 24.04 C ATOM 206 CE2 PHE A 13 -10.183 0.045 -3.848 1.00 73.40 C ATOM 207 CZ PHE A 13 -10.340 -0.162 -5.205 1.00 12.31 C ATOM 0 H PHE A 13 -5.953 1.047 -1.854 1.00 3.41 H new ATOM 0 HA PHE A 13 -5.653 1.606 -4.733 1.00 64.11 H new ATOM 0 HB2 PHE A 13 -7.613 2.895 -2.798 1.00 12.22 H new ATOM 0 HB3 PHE A 13 -7.316 3.419 -4.444 1.00 12.22 H new ATOM 0 HD1 PHE A 13 -7.936 1.895 -6.350 1.00 3.31 H new ATOM 0 HD2 PHE A 13 -9.092 1.077 -2.334 1.00 33.12 H new ATOM 0 HE1 PHE A 13 -9.655 0.343 -7.163 1.00 24.04 H new ATOM 0 HE2 PHE A 13 -10.816 -0.475 -3.144 1.00 73.40 H new ATOM 0 HZ PHE A 13 -11.096 -0.845 -5.563 1.00 12.31 H new ATOM 217 N PHE A 14 -4.494 3.826 -4.158 1.00 35.43 N ATOM 218 CA PHE A 14 -3.568 4.888 -3.836 1.00 1.32 C ATOM 219 C PHE A 14 -4.185 6.203 -4.198 1.00 40.24 C ATOM 220 O PHE A 14 -4.946 6.285 -5.168 1.00 61.42 O ATOM 221 CB PHE A 14 -2.284 4.779 -4.646 1.00 30.00 C ATOM 222 CG PHE A 14 -1.537 3.502 -4.520 1.00 11.54 C ATOM 223 CD1 PHE A 14 -0.850 3.195 -3.367 1.00 22.32 C ATOM 224 CD2 PHE A 14 -1.503 2.616 -5.574 1.00 22.34 C ATOM 225 CE1 PHE A 14 -0.144 2.020 -3.267 1.00 64.45 C ATOM 226 CE2 PHE A 14 -0.800 1.447 -5.487 1.00 44.42 C ATOM 227 CZ PHE A 14 -0.117 1.142 -4.332 1.00 44.12 C ATOM 0 H PHE A 14 -4.770 3.795 -5.139 1.00 35.43 H new ATOM 0 HA PHE A 14 -3.345 4.811 -2.772 1.00 1.32 H new ATOM 0 HB2 PHE A 14 -2.528 4.931 -5.697 1.00 30.00 H new ATOM 0 HB3 PHE A 14 -1.623 5.594 -4.351 1.00 30.00 H new ATOM 0 HD1 PHE A 14 -0.866 3.883 -2.535 1.00 22.32 H new ATOM 0 HD2 PHE A 14 -2.039 2.848 -6.482 1.00 22.34 H new ATOM 0 HE1 PHE A 14 0.388 1.784 -2.357 1.00 64.45 H new ATOM 0 HE2 PHE A 14 -0.781 0.764 -6.323 1.00 44.42 H new ATOM 0 HZ PHE A 14 0.438 0.219 -4.259 1.00 44.12 H new ATOM 237 N GLU A 15 -3.888 7.228 -3.451 1.00 74.20 N ATOM 238 CA GLU A 15 -4.335 8.526 -3.833 1.00 23.43 C ATOM 239 C GLU A 15 -3.262 9.305 -4.544 1.00 32.50 C ATOM 240 O GLU A 15 -2.440 9.975 -3.940 1.00 35.53 O ATOM 241 CB GLU A 15 -5.058 9.292 -2.735 1.00 22.33 C ATOM 242 CG GLU A 15 -6.365 8.647 -2.413 1.00 21.33 C ATOM 243 CD GLU A 15 -7.199 9.347 -1.383 1.00 53.12 C ATOM 244 OE1 GLU A 15 -7.614 10.503 -1.616 1.00 75.15 O ATOM 245 OE2 GLU A 15 -7.465 8.753 -0.331 1.00 42.30 O ATOM 0 H GLU A 15 -3.346 7.187 -2.588 1.00 74.20 H new ATOM 0 HA GLU A 15 -5.122 8.369 -4.571 1.00 23.43 H new ATOM 0 HB2 GLU A 15 -4.436 9.330 -1.841 1.00 22.33 H new ATOM 0 HB3 GLU A 15 -5.223 10.322 -3.052 1.00 22.33 H new ATOM 0 HG2 GLU A 15 -6.946 8.568 -3.332 1.00 21.33 H new ATOM 0 HG3 GLU A 15 -6.173 7.631 -2.069 1.00 21.33 H new ATOM 252 N SER A 16 -3.260 9.167 -5.854 1.00 54.22 N ATOM 253 CA SER A 16 -2.296 9.810 -6.709 1.00 44.23 C ATOM 254 C SER A 16 -2.675 11.269 -6.971 1.00 1.21 C ATOM 255 O SER A 16 -1.948 12.010 -7.634 1.00 42.35 O ATOM 256 CB SER A 16 -2.189 9.012 -7.998 1.00 53.25 C ATOM 257 OG SER A 16 -3.482 8.765 -8.523 1.00 32.24 O ATOM 0 H SER A 16 -3.939 8.596 -6.357 1.00 54.22 H new ATOM 0 HA SER A 16 -1.322 9.831 -6.220 1.00 44.23 H new ATOM 0 HB2 SER A 16 -1.590 9.560 -8.726 1.00 53.25 H new ATOM 0 HB3 SER A 16 -1.677 8.068 -7.810 1.00 53.25 H new ATOM 0 HG SER A 16 -3.405 8.252 -9.354 1.00 32.24 H new ATOM 263 N HIS A 17 -3.812 11.665 -6.428 1.00 21.43 N ATOM 264 CA HIS A 17 -4.302 13.020 -6.542 1.00 44.40 C ATOM 265 C HIS A 17 -3.849 13.815 -5.308 1.00 10.24 C ATOM 266 O HIS A 17 -4.253 14.949 -5.092 1.00 41.13 O ATOM 267 CB HIS A 17 -5.842 13.000 -6.663 1.00 21.13 C ATOM 268 CG HIS A 17 -6.466 14.331 -6.964 1.00 3.24 C ATOM 269 ND1 HIS A 17 -6.413 14.910 -8.204 1.00 61.44 N ATOM 270 CD2 HIS A 17 -7.132 15.200 -6.178 1.00 14.05 C ATOM 271 CE1 HIS A 17 -7.010 16.069 -8.173 1.00 23.12 C ATOM 272 NE2 HIS A 17 -7.459 16.277 -6.956 1.00 4.41 N ATOM 0 H HIS A 17 -4.423 11.048 -5.892 1.00 21.43 H new ATOM 0 HA HIS A 17 -3.899 13.500 -7.434 1.00 44.40 H new ATOM 0 HB2 HIS A 17 -6.122 12.297 -7.448 1.00 21.13 H new ATOM 0 HB3 HIS A 17 -6.261 12.620 -5.731 1.00 21.13 H new ATOM 0 HD2 HIS A 17 -7.364 15.071 -5.131 1.00 14.05 H new ATOM 0 HE1 HIS A 17 -7.117 16.745 -9.008 1.00 23.12 H new ATOM 0 HE2 HIS A 17 -7.967 17.104 -6.643 1.00 4.41 H new ATOM 281 N VAL A 18 -2.990 13.206 -4.513 1.00 55.34 N ATOM 282 CA VAL A 18 -2.458 13.851 -3.335 1.00 21.34 C ATOM 283 C VAL A 18 -1.109 14.505 -3.685 1.00 4.53 C ATOM 284 O VAL A 18 -0.268 13.889 -4.356 1.00 70.33 O ATOM 285 CB VAL A 18 -2.295 12.843 -2.153 1.00 44.54 C ATOM 286 CG1 VAL A 18 -1.780 13.559 -0.918 1.00 11.51 C ATOM 287 CG2 VAL A 18 -3.638 12.141 -1.854 1.00 3.32 C ATOM 0 H VAL A 18 -2.646 12.258 -4.666 1.00 55.34 H new ATOM 0 HA VAL A 18 -3.161 14.617 -3.007 1.00 21.34 H new ATOM 0 HB VAL A 18 -1.568 12.084 -2.440 1.00 44.54 H new ATOM 0 HG11 VAL A 18 -1.671 12.845 -0.102 1.00 11.51 H new ATOM 0 HG12 VAL A 18 -0.812 14.011 -1.136 1.00 11.51 H new ATOM 0 HG13 VAL A 18 -2.486 14.337 -0.627 1.00 11.51 H new ATOM 0 HG21 VAL A 18 -3.507 11.442 -1.028 1.00 3.32 H new ATOM 0 HG22 VAL A 18 -4.386 12.886 -1.584 1.00 3.32 H new ATOM 0 HG23 VAL A 18 -3.970 11.599 -2.739 1.00 3.32 H new ATOM 297 N ALA A 19 -0.936 15.751 -3.288 1.00 4.32 N ATOM 298 CA ALA A 19 0.271 16.512 -3.598 1.00 21.34 C ATOM 299 C ALA A 19 1.207 16.577 -2.393 1.00 42.32 C ATOM 300 O ALA A 19 0.754 16.505 -1.255 1.00 10.40 O ATOM 301 CB ALA A 19 -0.112 17.921 -4.021 1.00 11.33 C ATOM 0 H ALA A 19 -1.624 16.269 -2.742 1.00 4.32 H new ATOM 0 HA ALA A 19 0.794 16.008 -4.411 1.00 21.34 H new ATOM 0 HB1 ALA A 19 0.789 18.489 -4.252 1.00 11.33 H new ATOM 0 HB2 ALA A 19 -0.749 17.875 -4.904 1.00 11.33 H new ATOM 0 HB3 ALA A 19 -0.651 18.410 -3.210 1.00 11.33 H new ATOM 307 N ARG A 20 2.513 16.749 -2.660 1.00 4.41 N ATOM 308 CA ARG A 20 3.556 16.835 -1.617 1.00 43.33 C ATOM 309 C ARG A 20 3.253 17.934 -0.591 1.00 52.34 C ATOM 310 O ARG A 20 3.486 17.762 0.604 1.00 51.32 O ATOM 311 CB ARG A 20 4.918 17.120 -2.264 1.00 65.11 C ATOM 312 CG ARG A 20 6.068 17.317 -1.279 1.00 70.23 C ATOM 313 CD ARG A 20 6.349 16.068 -0.483 1.00 74.04 C ATOM 314 NE ARG A 20 7.413 16.259 0.506 1.00 12.20 N ATOM 315 CZ ARG A 20 8.581 15.598 0.524 1.00 34.31 C ATOM 316 NH1 ARG A 20 8.908 14.779 -0.476 1.00 44.23 N ATOM 317 NH2 ARG A 20 9.429 15.780 1.524 1.00 4.34 N ATOM 0 H ARG A 20 2.879 16.833 -3.608 1.00 4.41 H new ATOM 0 HA ARG A 20 3.574 15.877 -1.097 1.00 43.33 H new ATOM 0 HB2 ARG A 20 5.167 16.295 -2.931 1.00 65.11 H new ATOM 0 HB3 ARG A 20 4.831 18.014 -2.882 1.00 65.11 H new ATOM 0 HG2 ARG A 20 6.966 17.610 -1.823 1.00 70.23 H new ATOM 0 HG3 ARG A 20 5.827 18.134 -0.599 1.00 70.23 H new ATOM 0 HD2 ARG A 20 5.438 15.753 0.025 1.00 74.04 H new ATOM 0 HD3 ARG A 20 6.630 15.264 -1.163 1.00 74.04 H new ATOM 0 HE ARG A 20 7.253 16.950 1.240 1.00 12.20 H new ATOM 0 HH11 ARG A 20 8.269 14.652 -1.261 1.00 44.23 H new ATOM 0 HH12 ARG A 20 9.797 14.280 -0.456 1.00 44.23 H new ATOM 0 HH21 ARG A 20 9.195 16.423 2.281 1.00 4.34 H new ATOM 0 HH22 ARG A 20 10.317 15.278 1.538 1.00 4.34 H new ATOM 331 N ALA A 21 2.734 19.049 -1.072 1.00 33.34 N ATOM 332 CA ALA A 21 2.403 20.200 -0.230 1.00 62.23 C ATOM 333 C ALA A 21 1.351 19.857 0.816 1.00 3.54 C ATOM 334 O ALA A 21 1.255 20.503 1.855 1.00 3.24 O ATOM 335 CB ALA A 21 1.899 21.326 -1.092 1.00 44.31 C ATOM 0 H ALA A 21 2.527 19.189 -2.061 1.00 33.34 H new ATOM 0 HA ALA A 21 3.311 20.499 0.293 1.00 62.23 H new ATOM 0 HB1 ALA A 21 1.653 22.183 -0.464 1.00 44.31 H new ATOM 0 HB2 ALA A 21 2.671 21.610 -1.807 1.00 44.31 H new ATOM 0 HB3 ALA A 21 1.008 21.002 -1.629 1.00 44.31 H new ATOM 341 N ASN A 22 0.572 18.843 0.541 1.00 74.11 N ATOM 342 CA ASN A 22 -0.484 18.423 1.434 1.00 72.44 C ATOM 343 C ASN A 22 -0.010 17.229 2.258 1.00 11.22 C ATOM 344 O ASN A 22 -0.739 16.676 3.053 1.00 52.12 O ATOM 345 CB ASN A 22 -1.742 18.087 0.610 1.00 34.53 C ATOM 346 CG ASN A 22 -2.973 17.682 1.426 1.00 60.12 C ATOM 347 OD1 ASN A 22 -3.169 18.102 2.583 1.00 32.13 O ATOM 348 ND2 ASN A 22 -3.815 16.886 0.820 1.00 30.02 N ATOM 0 H ASN A 22 0.649 18.283 -0.308 1.00 74.11 H new ATOM 0 HA ASN A 22 -0.738 19.225 2.127 1.00 72.44 H new ATOM 0 HB2 ASN A 22 -2.000 18.954 0.002 1.00 34.53 H new ATOM 0 HB3 ASN A 22 -1.500 17.276 -0.077 1.00 34.53 H new ATOM 0 HD21 ASN A 22 -4.667 16.588 1.295 1.00 30.02 H new ATOM 0 HD22 ASN A 22 -3.620 16.563 -0.128 1.00 30.02 H new ATOM 355 N VAL A 23 1.238 16.869 2.088 1.00 1.31 N ATOM 356 CA VAL A 23 1.804 15.752 2.818 1.00 53.33 C ATOM 357 C VAL A 23 2.644 16.227 4.007 1.00 23.42 C ATOM 358 O VAL A 23 3.653 16.929 3.856 1.00 31.24 O ATOM 359 CB VAL A 23 2.623 14.823 1.915 1.00 64.31 C ATOM 360 CG1 VAL A 23 3.309 13.737 2.724 1.00 63.22 C ATOM 361 CG2 VAL A 23 1.731 14.220 0.845 1.00 13.52 C ATOM 0 H VAL A 23 1.886 17.332 1.450 1.00 1.31 H new ATOM 0 HA VAL A 23 0.963 15.175 3.202 1.00 53.33 H new ATOM 0 HB VAL A 23 3.402 15.412 1.430 1.00 64.31 H new ATOM 0 HG11 VAL A 23 3.882 13.093 2.057 1.00 63.22 H new ATOM 0 HG12 VAL A 23 3.979 14.194 3.452 1.00 63.22 H new ATOM 0 HG13 VAL A 23 2.559 13.143 3.245 1.00 63.22 H new ATOM 0 HG21 VAL A 23 2.321 13.561 0.208 1.00 13.52 H new ATOM 0 HG22 VAL A 23 0.932 13.648 1.317 1.00 13.52 H new ATOM 0 HG23 VAL A 23 1.298 15.017 0.241 1.00 13.52 H new ATOM 371 N LYS A 24 2.193 15.856 5.172 1.00 13.04 N ATOM 372 CA LYS A 24 2.804 16.184 6.424 1.00 63.25 C ATOM 373 C LYS A 24 3.899 15.158 6.723 1.00 3.34 C ATOM 374 O LYS A 24 5.081 15.479 6.823 1.00 5.42 O ATOM 375 CB LYS A 24 1.730 16.084 7.536 1.00 4.51 C ATOM 376 CG LYS A 24 2.171 16.675 8.838 1.00 13.42 C ATOM 377 CD LYS A 24 2.186 18.171 8.729 1.00 30.20 C ATOM 378 CE LYS A 24 0.821 18.789 9.016 1.00 10.31 C ATOM 379 NZ LYS A 24 0.355 18.527 10.390 1.00 70.22 N ATOM 0 H LYS A 24 1.350 15.291 5.277 1.00 13.04 H new ATOM 0 HA LYS A 24 3.225 17.188 6.384 1.00 63.25 H new ATOM 0 HB2 LYS A 24 0.824 16.590 7.203 1.00 4.51 H new ATOM 0 HB3 LYS A 24 1.472 15.036 7.689 1.00 4.51 H new ATOM 0 HG2 LYS A 24 1.498 16.365 9.637 1.00 13.42 H new ATOM 0 HG3 LYS A 24 3.164 16.309 9.098 1.00 13.42 H new ATOM 0 HD2 LYS A 24 2.919 18.576 9.427 1.00 30.20 H new ATOM 0 HD3 LYS A 24 2.508 18.456 7.727 1.00 30.20 H new ATOM 0 HE2 LYS A 24 0.873 19.866 8.853 1.00 10.31 H new ATOM 0 HE3 LYS A 24 0.092 18.394 8.308 1.00 10.31 H new ATOM 0 HZ1 LYS A 24 -0.340 19.250 10.665 1.00 70.22 H new ATOM 0 HZ2 LYS A 24 -0.088 17.587 10.433 1.00 70.22 H new ATOM 0 HZ3 LYS A 24 1.164 18.559 11.043 1.00 70.22 H new ATOM 393 N HIS A 25 3.460 13.936 6.843 1.00 52.02 N ATOM 394 CA HIS A 25 4.282 12.790 7.146 1.00 43.41 C ATOM 395 C HIS A 25 4.358 11.923 5.926 1.00 43.50 C ATOM 396 O HIS A 25 3.357 11.749 5.255 1.00 44.14 O ATOM 397 CB HIS A 25 3.630 12.009 8.309 1.00 71.02 C ATOM 398 CG HIS A 25 4.166 10.623 8.545 1.00 21.42 C ATOM 399 ND1 HIS A 25 5.120 10.317 9.474 1.00 60.43 N ATOM 400 CD2 HIS A 25 3.808 9.449 7.971 1.00 23.14 C ATOM 401 CE1 HIS A 25 5.330 9.024 9.469 1.00 33.41 C ATOM 402 NE2 HIS A 25 4.541 8.469 8.568 1.00 23.24 N ATOM 0 H HIS A 25 2.475 13.698 6.728 1.00 52.02 H new ATOM 0 HA HIS A 25 5.286 13.099 7.436 1.00 43.41 H new ATOM 0 HB2 HIS A 25 3.753 12.587 9.225 1.00 71.02 H new ATOM 0 HB3 HIS A 25 2.559 11.937 8.119 1.00 71.02 H new ATOM 0 HD1 HIS A 25 5.594 10.990 10.077 1.00 60.43 H new ATOM 0 HD2 HIS A 25 3.078 9.315 7.187 1.00 23.14 H new ATOM 0 HE1 HIS A 25 6.033 8.499 10.098 1.00 33.41 H new ATOM 411 N LEU A 26 5.510 11.379 5.653 1.00 55.53 N ATOM 412 CA LEU A 26 5.677 10.515 4.527 1.00 41.32 C ATOM 413 C LEU A 26 6.583 9.331 4.929 1.00 10.05 C ATOM 414 O LEU A 26 7.777 9.499 5.165 1.00 21.24 O ATOM 415 CB LEU A 26 6.257 11.337 3.373 1.00 21.04 C ATOM 416 CG LEU A 26 6.306 10.698 1.996 1.00 11.23 C ATOM 417 CD1 LEU A 26 4.919 10.268 1.551 1.00 21.45 C ATOM 418 CD2 LEU A 26 6.859 11.698 1.010 1.00 52.01 C ATOM 0 H LEU A 26 6.355 11.523 6.205 1.00 55.53 H new ATOM 0 HA LEU A 26 4.727 10.095 4.197 1.00 41.32 H new ATOM 0 HB2 LEU A 26 5.677 12.257 3.294 1.00 21.04 H new ATOM 0 HB3 LEU A 26 7.273 11.623 3.645 1.00 21.04 H new ATOM 0 HG LEU A 26 6.945 9.816 2.040 1.00 11.23 H new ATOM 0 HD11 LEU A 26 4.979 9.813 0.562 1.00 21.45 H new ATOM 0 HD12 LEU A 26 4.518 9.544 2.260 1.00 21.45 H new ATOM 0 HD13 LEU A 26 4.264 11.138 1.511 1.00 21.45 H new ATOM 0 HD21 LEU A 26 6.898 11.248 0.018 1.00 52.01 H new ATOM 0 HD22 LEU A 26 6.216 12.578 0.984 1.00 52.01 H new ATOM 0 HD23 LEU A 26 7.863 11.992 1.315 1.00 52.01 H new ATOM 430 N LYS A 27 5.979 8.157 5.033 1.00 72.15 N ATOM 431 CA LYS A 27 6.640 6.923 5.459 1.00 4.13 C ATOM 432 C LYS A 27 6.652 5.946 4.307 1.00 11.51 C ATOM 433 O LYS A 27 5.741 5.940 3.519 1.00 71.35 O ATOM 434 CB LYS A 27 5.837 6.282 6.616 1.00 33.11 C ATOM 435 CG LYS A 27 6.387 4.939 7.111 1.00 63.22 C ATOM 436 CD LYS A 27 7.794 5.051 7.693 1.00 52.04 C ATOM 437 CE LYS A 27 7.803 5.737 9.049 1.00 2.33 C ATOM 438 NZ LYS A 27 7.042 4.962 10.065 1.00 41.25 N ATOM 0 H LYS A 27 4.990 8.028 4.819 1.00 72.15 H new ATOM 0 HA LYS A 27 7.655 7.153 5.782 1.00 4.13 H new ATOM 0 HB2 LYS A 27 5.812 6.980 7.453 1.00 33.11 H new ATOM 0 HB3 LYS A 27 4.807 6.139 6.290 1.00 33.11 H new ATOM 0 HG2 LYS A 27 5.717 4.535 7.870 1.00 63.22 H new ATOM 0 HG3 LYS A 27 6.397 4.229 6.284 1.00 63.22 H new ATOM 0 HD2 LYS A 27 8.226 4.055 7.789 1.00 52.04 H new ATOM 0 HD3 LYS A 27 8.428 5.607 7.002 1.00 52.04 H new ATOM 0 HE2 LYS A 27 8.832 5.865 9.385 1.00 2.33 H new ATOM 0 HE3 LYS A 27 7.372 6.734 8.955 1.00 2.33 H new ATOM 0 HZ1 LYS A 27 7.326 5.267 11.018 1.00 41.25 H new ATOM 0 HZ2 LYS A 27 6.023 5.129 9.937 1.00 41.25 H new ATOM 0 HZ3 LYS A 27 7.244 3.948 9.951 1.00 41.25 H new ATOM 452 N ILE A 28 7.653 5.116 4.207 1.00 33.14 N ATOM 453 CA ILE A 28 7.647 4.134 3.157 1.00 5.11 C ATOM 454 C ILE A 28 7.418 2.751 3.750 1.00 32.11 C ATOM 455 O ILE A 28 8.217 2.274 4.571 1.00 62.51 O ATOM 456 CB ILE A 28 8.949 4.143 2.338 1.00 44.21 C ATOM 457 CG1 ILE A 28 9.273 5.565 1.957 1.00 33.21 C ATOM 458 CG2 ILE A 28 8.752 3.356 1.073 1.00 14.12 C ATOM 459 CD1 ILE A 28 10.377 5.689 0.954 1.00 13.11 C ATOM 0 H ILE A 28 8.466 5.097 4.823 1.00 33.14 H new ATOM 0 HA ILE A 28 6.835 4.389 2.476 1.00 5.11 H new ATOM 0 HB ILE A 28 9.753 3.707 2.931 1.00 44.21 H new ATOM 0 HG12 ILE A 28 8.376 6.036 1.555 1.00 33.21 H new ATOM 0 HG13 ILE A 28 9.548 6.118 2.855 1.00 33.21 H new ATOM 0 HG21 ILE A 28 9.675 3.363 0.493 1.00 14.12 H new ATOM 0 HG22 ILE A 28 8.487 2.328 1.321 1.00 14.12 H new ATOM 0 HG23 ILE A 28 7.951 3.805 0.486 1.00 14.12 H new ATOM 0 HD11 ILE A 28 10.550 6.742 0.732 1.00 13.11 H new ATOM 0 HD12 ILE A 28 11.288 5.249 1.359 1.00 13.11 H new ATOM 0 HD13 ILE A 28 10.098 5.166 0.039 1.00 13.11 H new ATOM 471 N LEU A 29 6.330 2.126 3.373 1.00 14.03 N ATOM 472 CA LEU A 29 5.998 0.830 3.856 1.00 64.54 C ATOM 473 C LEU A 29 6.035 -0.147 2.672 1.00 2.35 C ATOM 474 O LEU A 29 5.337 0.039 1.672 1.00 23.24 O ATOM 475 CB LEU A 29 4.586 0.906 4.493 1.00 72.31 C ATOM 476 CG LEU A 29 4.136 -0.249 5.403 1.00 2.30 C ATOM 477 CD1 LEU A 29 2.810 0.089 6.068 1.00 23.33 C ATOM 478 CD2 LEU A 29 4.012 -1.573 4.666 1.00 3.42 C ATOM 0 H LEU A 29 5.652 2.514 2.717 1.00 14.03 H new ATOM 0 HA LEU A 29 6.702 0.481 4.611 1.00 64.54 H new ATOM 0 HB2 LEU A 29 4.532 1.827 5.073 1.00 72.31 H new ATOM 0 HB3 LEU A 29 3.860 0.995 3.684 1.00 72.31 H new ATOM 0 HG LEU A 29 4.914 -0.370 6.157 1.00 2.30 H new ATOM 0 HD11 LEU A 29 2.503 -0.737 6.709 1.00 23.33 H new ATOM 0 HD12 LEU A 29 2.924 0.991 6.669 1.00 23.33 H new ATOM 0 HD13 LEU A 29 2.051 0.255 5.303 1.00 23.33 H new ATOM 0 HD21 LEU A 29 3.691 -2.348 5.362 1.00 3.42 H new ATOM 0 HD22 LEU A 29 3.278 -1.477 3.866 1.00 3.42 H new ATOM 0 HD23 LEU A 29 4.978 -1.845 4.241 1.00 3.42 H new ATOM 490 N ASN A 30 6.859 -1.151 2.767 1.00 40.14 N ATOM 491 CA ASN A 30 6.934 -2.150 1.729 1.00 73.54 C ATOM 492 C ASN A 30 6.330 -3.433 2.238 1.00 21.13 C ATOM 493 O ASN A 30 6.554 -3.822 3.389 1.00 32.21 O ATOM 494 CB ASN A 30 8.379 -2.386 1.270 1.00 62.24 C ATOM 495 CG ASN A 30 8.467 -3.373 0.113 1.00 31.45 C ATOM 496 OD1 ASN A 30 7.546 -3.483 -0.698 1.00 14.53 O ATOM 497 ND2 ASN A 30 9.563 -4.084 0.023 1.00 13.43 N ATOM 0 H ASN A 30 7.491 -1.303 3.553 1.00 40.14 H new ATOM 0 HA ASN A 30 6.376 -1.793 0.863 1.00 73.54 H new ATOM 0 HB2 ASN A 30 8.821 -1.436 0.968 1.00 62.24 H new ATOM 0 HB3 ASN A 30 8.967 -2.760 2.108 1.00 62.24 H new ATOM 0 HD21 ASN A 30 9.674 -4.755 -0.737 1.00 13.43 H new ATOM 0 HD22 ASN A 30 10.305 -3.966 0.713 1.00 13.43 H new ATOM 504 N THR A 31 5.569 -4.082 1.419 1.00 22.24 N ATOM 505 CA THR A 31 4.910 -5.286 1.816 1.00 40.13 C ATOM 506 C THR A 31 5.367 -6.435 0.902 1.00 20.05 C ATOM 507 O THR A 31 5.328 -6.293 -0.314 1.00 12.25 O ATOM 508 CB THR A 31 3.385 -5.076 1.742 1.00 4.11 C ATOM 509 OG1 THR A 31 3.037 -3.937 2.535 1.00 43.24 O ATOM 510 CG2 THR A 31 2.618 -6.288 2.237 1.00 35.13 C ATOM 0 H THR A 31 5.386 -3.795 0.458 1.00 22.24 H new ATOM 0 HA THR A 31 5.168 -5.545 2.843 1.00 40.13 H new ATOM 0 HB THR A 31 3.114 -4.920 0.698 1.00 4.11 H new ATOM 0 HG1 THR A 31 2.300 -4.170 3.137 1.00 43.24 H new ATOM 0 HG21 THR A 31 1.548 -6.095 2.167 1.00 35.13 H new ATOM 0 HG22 THR A 31 2.872 -7.154 1.625 1.00 35.13 H new ATOM 0 HG23 THR A 31 2.883 -6.487 3.275 1.00 35.13 H new ATOM 518 N PRO A 32 5.823 -7.573 1.507 1.00 55.35 N ATOM 519 CA PRO A 32 6.382 -8.744 0.797 1.00 22.44 C ATOM 520 C PRO A 32 5.713 -9.085 -0.539 1.00 22.45 C ATOM 521 O PRO A 32 6.353 -9.024 -1.597 1.00 10.14 O ATOM 522 CB PRO A 32 6.156 -9.871 1.798 1.00 21.51 C ATOM 523 CG PRO A 32 6.359 -9.217 3.117 1.00 52.20 C ATOM 524 CD PRO A 32 5.832 -7.804 2.975 1.00 63.32 C ATOM 0 HA PRO A 32 7.418 -8.561 0.512 1.00 22.44 H new ATOM 0 HB2 PRO A 32 5.154 -10.290 1.709 1.00 21.51 H new ATOM 0 HB3 PRO A 32 6.859 -10.690 1.645 1.00 21.51 H new ATOM 0 HG2 PRO A 32 5.827 -9.753 3.903 1.00 52.20 H new ATOM 0 HG3 PRO A 32 7.414 -9.213 3.391 1.00 52.20 H new ATOM 0 HD2 PRO A 32 4.834 -7.705 3.401 1.00 63.32 H new ATOM 0 HD3 PRO A 32 6.471 -7.086 3.489 1.00 63.32 H new ATOM 532 N ASN A 33 4.439 -9.397 -0.498 1.00 75.42 N ATOM 533 CA ASN A 33 3.712 -9.859 -1.684 1.00 53.51 C ATOM 534 C ASN A 33 3.019 -8.716 -2.396 1.00 14.43 C ATOM 535 O ASN A 33 2.104 -8.929 -3.195 1.00 61.22 O ATOM 536 CB ASN A 33 2.688 -10.933 -1.291 1.00 32.03 C ATOM 537 CG ASN A 33 3.341 -12.153 -0.670 1.00 41.04 C ATOM 538 OD1 ASN A 33 4.469 -12.504 -0.997 1.00 54.43 O ATOM 539 ND2 ASN A 33 2.653 -12.793 0.235 1.00 21.34 N ATOM 0 H ASN A 33 3.870 -9.342 0.347 1.00 75.42 H new ATOM 0 HA ASN A 33 4.440 -10.288 -2.373 1.00 53.51 H new ATOM 0 HB2 ASN A 33 1.972 -10.509 -0.587 1.00 32.03 H new ATOM 0 HB3 ASN A 33 2.125 -11.235 -2.174 1.00 32.03 H new ATOM 0 HD21 ASN A 33 3.052 -13.612 0.694 1.00 21.34 H new ATOM 0 HD22 ASN A 33 1.717 -12.474 0.484 1.00 21.34 H new ATOM 546 N CYS A 34 3.472 -7.518 -2.147 1.00 35.21 N ATOM 547 CA CYS A 34 2.891 -6.349 -2.749 1.00 23.45 C ATOM 548 C CYS A 34 3.967 -5.412 -3.233 1.00 44.53 C ATOM 549 O CYS A 34 5.151 -5.753 -3.250 1.00 42.13 O ATOM 550 CB CYS A 34 2.018 -5.614 -1.751 1.00 11.03 C ATOM 551 SG CYS A 34 0.605 -6.550 -1.126 1.00 61.15 S ATOM 0 H CYS A 34 4.254 -7.324 -1.521 1.00 35.21 H new ATOM 0 HA CYS A 34 2.285 -6.677 -3.593 1.00 23.45 H new ATOM 0 HB2 CYS A 34 2.636 -5.313 -0.905 1.00 11.03 H new ATOM 0 HB3 CYS A 34 1.650 -4.701 -2.218 1.00 11.03 H new ATOM 556 N ALA A 35 3.549 -4.247 -3.633 1.00 71.11 N ATOM 557 CA ALA A 35 4.424 -3.219 -4.095 1.00 1.44 C ATOM 558 C ALA A 35 4.721 -2.250 -2.968 1.00 31.44 C ATOM 559 O ALA A 35 4.365 -2.501 -1.797 1.00 12.03 O ATOM 560 CB ALA A 35 3.735 -2.478 -5.206 1.00 0.32 C ATOM 0 H ALA A 35 2.564 -3.982 -3.646 1.00 71.11 H new ATOM 0 HA ALA A 35 5.358 -3.658 -4.445 1.00 1.44 H new ATOM 0 HB1 ALA A 35 4.387 -1.686 -5.575 1.00 0.32 H new ATOM 0 HB2 ALA A 35 3.508 -3.169 -6.018 1.00 0.32 H new ATOM 0 HB3 ALA A 35 2.809 -2.041 -4.832 1.00 0.32 H new ATOM 566 N LEU A 36 5.369 -1.160 -3.312 1.00 3.22 N ATOM 567 CA LEU A 36 5.623 -0.114 -2.373 1.00 24.33 C ATOM 568 C LEU A 36 4.396 0.683 -2.103 1.00 74.01 C ATOM 569 O LEU A 36 3.576 0.935 -2.983 1.00 22.22 O ATOM 570 CB LEU A 36 6.777 0.802 -2.788 1.00 2.14 C ATOM 571 CG LEU A 36 8.196 0.349 -2.426 1.00 52.05 C ATOM 572 CD1 LEU A 36 8.372 0.327 -0.921 1.00 5.31 C ATOM 573 CD2 LEU A 36 8.534 -1.004 -3.015 1.00 53.34 C ATOM 0 H LEU A 36 5.730 -0.983 -4.249 1.00 3.22 H new ATOM 0 HA LEU A 36 5.930 -0.610 -1.452 1.00 24.33 H new ATOM 0 HB2 LEU A 36 6.730 0.935 -3.869 1.00 2.14 H new ATOM 0 HB3 LEU A 36 6.610 1.781 -2.338 1.00 2.14 H new ATOM 0 HG LEU A 36 8.887 1.072 -2.860 1.00 52.05 H new ATOM 0 HD11 LEU A 36 9.384 0.004 -0.678 1.00 5.31 H new ATOM 0 HD12 LEU A 36 8.204 1.327 -0.520 1.00 5.31 H new ATOM 0 HD13 LEU A 36 7.654 -0.365 -0.481 1.00 5.31 H new ATOM 0 HD21 LEU A 36 9.549 -1.281 -2.731 1.00 53.34 H new ATOM 0 HD22 LEU A 36 7.835 -1.750 -2.637 1.00 53.34 H new ATOM 0 HD23 LEU A 36 8.462 -0.956 -4.102 1.00 53.34 H new ATOM 585 N GLN A 37 4.291 1.059 -0.897 1.00 14.23 N ATOM 586 CA GLN A 37 3.201 1.828 -0.385 1.00 14.52 C ATOM 587 C GLN A 37 3.736 2.916 0.474 1.00 43.44 C ATOM 588 O GLN A 37 4.195 2.689 1.593 1.00 73.44 O ATOM 589 CB GLN A 37 2.229 0.929 0.366 1.00 13.45 C ATOM 590 CG GLN A 37 1.182 0.278 -0.528 1.00 72.32 C ATOM 591 CD GLN A 37 0.855 -1.139 -0.141 1.00 32.22 C ATOM 592 OE1 GLN A 37 -0.279 -1.575 -0.259 1.00 32.02 O ATOM 593 NE2 GLN A 37 1.858 -1.898 0.197 1.00 52.43 N ATOM 0 H GLN A 37 4.991 0.836 -0.189 1.00 14.23 H new ATOM 0 HA GLN A 37 2.645 2.284 -1.204 1.00 14.52 H new ATOM 0 HB2 GLN A 37 2.792 0.149 0.879 1.00 13.45 H new ATOM 0 HB3 GLN A 37 1.724 1.516 1.134 1.00 13.45 H new ATOM 0 HG2 GLN A 37 0.270 0.874 -0.498 1.00 72.32 H new ATOM 0 HG3 GLN A 37 1.537 0.291 -1.558 1.00 72.32 H new ATOM 0 HE21 GLN A 37 2.792 -1.499 0.286 1.00 52.43 H new ATOM 0 HE22 GLN A 37 1.709 -2.892 0.373 1.00 52.43 H new ATOM 602 N ILE A 38 3.737 4.089 -0.054 1.00 25.40 N ATOM 603 CA ILE A 38 4.286 5.185 0.643 1.00 31.24 C ATOM 604 C ILE A 38 3.165 5.913 1.328 1.00 41.45 C ATOM 605 O ILE A 38 2.190 6.283 0.714 1.00 52.32 O ATOM 606 CB ILE A 38 5.111 6.084 -0.295 1.00 42.12 C ATOM 607 CG1 ILE A 38 6.095 5.177 -1.043 1.00 23.44 C ATOM 608 CG2 ILE A 38 5.871 7.118 0.514 1.00 55.42 C ATOM 609 CD1 ILE A 38 7.122 5.882 -1.875 1.00 1.05 C ATOM 0 H ILE A 38 3.359 4.310 -0.975 1.00 25.40 H new ATOM 0 HA ILE A 38 4.989 4.843 1.402 1.00 31.24 H new ATOM 0 HB ILE A 38 4.463 6.612 -0.995 1.00 42.12 H new ATOM 0 HG12 ILE A 38 6.611 4.552 -0.314 1.00 23.44 H new ATOM 0 HG13 ILE A 38 5.526 4.509 -1.690 1.00 23.44 H new ATOM 0 HG21 ILE A 38 6.452 7.750 -0.157 1.00 55.42 H new ATOM 0 HG22 ILE A 38 5.166 7.734 1.072 1.00 55.42 H new ATOM 0 HG23 ILE A 38 6.542 6.614 1.210 1.00 55.42 H new ATOM 0 HD11 ILE A 38 7.765 5.147 -2.359 1.00 1.05 H new ATOM 0 HD12 ILE A 38 6.624 6.485 -2.634 1.00 1.05 H new ATOM 0 HD13 ILE A 38 7.726 6.528 -1.238 1.00 1.05 H new ATOM 621 N VAL A 39 3.302 6.076 2.584 1.00 11.05 N ATOM 622 CA VAL A 39 2.224 6.550 3.420 1.00 62.22 C ATOM 623 C VAL A 39 2.370 8.022 3.743 1.00 23.30 C ATOM 624 O VAL A 39 3.417 8.462 4.206 1.00 61.32 O ATOM 625 CB VAL A 39 2.164 5.731 4.730 1.00 43.04 C ATOM 626 CG1 VAL A 39 1.062 6.212 5.637 1.00 14.22 C ATOM 627 CG2 VAL A 39 2.020 4.243 4.446 1.00 20.32 C ATOM 0 H VAL A 39 4.169 5.888 3.088 1.00 11.05 H new ATOM 0 HA VAL A 39 1.296 6.418 2.864 1.00 62.22 H new ATOM 0 HB VAL A 39 3.110 5.886 5.249 1.00 43.04 H new ATOM 0 HG11 VAL A 39 1.052 5.612 6.547 1.00 14.22 H new ATOM 0 HG12 VAL A 39 1.232 7.258 5.894 1.00 14.22 H new ATOM 0 HG13 VAL A 39 0.103 6.115 5.128 1.00 14.22 H new ATOM 0 HG21 VAL A 39 1.981 3.695 5.387 1.00 20.32 H new ATOM 0 HG22 VAL A 39 1.102 4.067 3.885 1.00 20.32 H new ATOM 0 HG23 VAL A 39 2.874 3.900 3.862 1.00 20.32 H new ATOM 637 N ALA A 40 1.318 8.764 3.528 1.00 42.32 N ATOM 638 CA ALA A 40 1.335 10.171 3.772 1.00 32.33 C ATOM 639 C ALA A 40 0.256 10.606 4.738 1.00 23.50 C ATOM 640 O ALA A 40 -0.750 9.930 4.930 1.00 43.14 O ATOM 641 CB ALA A 40 1.174 10.917 2.488 1.00 53.52 C ATOM 0 H ALA A 40 0.429 8.406 3.179 1.00 42.32 H new ATOM 0 HA ALA A 40 2.299 10.400 4.225 1.00 32.33 H new ATOM 0 HB1 ALA A 40 1.188 11.989 2.686 1.00 53.52 H new ATOM 0 HB2 ALA A 40 1.991 10.661 1.814 1.00 53.52 H new ATOM 0 HB3 ALA A 40 0.225 10.646 2.026 1.00 53.52 H new ATOM 647 N ARG A 41 0.506 11.721 5.353 1.00 12.14 N ATOM 648 CA ARG A 41 -0.433 12.409 6.202 1.00 72.33 C ATOM 649 C ARG A 41 -0.799 13.679 5.588 1.00 54.13 C ATOM 650 O ARG A 41 0.044 14.389 5.111 1.00 21.42 O ATOM 651 CB ARG A 41 0.091 12.645 7.578 1.00 2.32 C ATOM 652 CG ARG A 41 -0.058 11.480 8.481 1.00 54.22 C ATOM 653 CD ARG A 41 -1.497 11.264 8.871 1.00 64.23 C ATOM 654 NE ARG A 41 -1.633 10.150 9.800 1.00 22.22 N ATOM 655 CZ ARG A 41 -2.733 9.839 10.483 1.00 31.22 C ATOM 656 NH1 ARG A 41 -3.820 10.605 10.408 1.00 61.15 N ATOM 657 NH2 ARG A 41 -2.736 8.771 11.262 1.00 62.45 N ATOM 0 H ARG A 41 1.403 12.200 5.278 1.00 12.14 H new ATOM 0 HA ARG A 41 -1.308 11.767 6.304 1.00 72.33 H new ATOM 0 HB2 ARG A 41 1.146 12.911 7.515 1.00 2.32 H new ATOM 0 HB3 ARG A 41 -0.428 13.499 8.013 1.00 2.32 H new ATOM 0 HG2 ARG A 41 0.325 10.586 7.989 1.00 54.22 H new ATOM 0 HG3 ARG A 41 0.544 11.633 9.377 1.00 54.22 H new ATOM 0 HD2 ARG A 41 -1.892 12.171 9.328 1.00 64.23 H new ATOM 0 HD3 ARG A 41 -2.093 11.071 7.979 1.00 64.23 H new ATOM 0 HE ARG A 41 -0.815 9.557 9.939 1.00 22.22 H new ATOM 0 HH11 ARG A 41 -3.816 11.440 9.823 1.00 61.15 H new ATOM 0 HH12 ARG A 41 -4.657 10.356 10.936 1.00 61.15 H new ATOM 0 HH21 ARG A 41 -1.900 8.192 11.337 1.00 62.45 H new ATOM 0 HH22 ARG A 41 -3.575 8.526 11.788 1.00 62.45 H new ATOM 671 N LEU A 42 -2.027 13.959 5.582 1.00 22.22 N ATOM 672 CA LEU A 42 -2.496 15.149 4.928 1.00 13.32 C ATOM 673 C LEU A 42 -2.453 16.345 5.857 1.00 40.43 C ATOM 674 O LEU A 42 -2.918 16.278 6.970 1.00 33.42 O ATOM 675 CB LEU A 42 -3.886 14.929 4.329 1.00 1.11 C ATOM 676 CG LEU A 42 -3.973 13.800 3.303 1.00 42.13 C ATOM 677 CD1 LEU A 42 -5.285 13.841 2.596 1.00 73.22 C ATOM 678 CD2 LEU A 42 -2.832 13.860 2.316 1.00 32.33 C ATOM 0 H LEU A 42 -2.753 13.392 6.019 1.00 22.22 H new ATOM 0 HA LEU A 42 -1.820 15.372 4.102 1.00 13.32 H new ATOM 0 HB2 LEU A 42 -4.585 14.720 5.138 1.00 1.11 H new ATOM 0 HB3 LEU A 42 -4.213 15.855 3.857 1.00 1.11 H new ATOM 0 HG LEU A 42 -3.894 12.854 3.839 1.00 42.13 H new ATOM 0 HD11 LEU A 42 -5.332 13.031 1.868 1.00 73.22 H new ATOM 0 HD12 LEU A 42 -6.092 13.726 3.320 1.00 73.22 H new ATOM 0 HD13 LEU A 42 -5.392 14.796 2.082 1.00 73.22 H new ATOM 0 HD21 LEU A 42 -2.926 13.042 1.601 1.00 32.33 H new ATOM 0 HD22 LEU A 42 -2.860 14.811 1.785 1.00 32.33 H new ATOM 0 HD23 LEU A 42 -1.885 13.770 2.848 1.00 32.33 H new ATOM 690 N LYS A 43 -1.848 17.416 5.409 1.00 75.53 N ATOM 691 CA LYS A 43 -1.764 18.638 6.191 1.00 3.42 C ATOM 692 C LYS A 43 -3.090 19.384 6.190 1.00 42.53 C ATOM 693 O LYS A 43 -3.520 19.895 7.210 1.00 34.24 O ATOM 694 CB LYS A 43 -0.682 19.563 5.616 1.00 54.03 C ATOM 695 CG LYS A 43 0.656 18.890 5.426 1.00 41.30 C ATOM 696 CD LYS A 43 1.760 19.847 4.994 1.00 61.31 C ATOM 697 CE LYS A 43 2.084 20.871 6.074 1.00 21.15 C ATOM 698 NZ LYS A 43 3.241 21.700 5.709 1.00 13.51 N ATOM 0 H LYS A 43 -1.399 17.472 4.495 1.00 75.53 H new ATOM 0 HA LYS A 43 -1.513 18.356 7.213 1.00 3.42 H new ATOM 0 HB2 LYS A 43 -1.022 19.952 4.656 1.00 54.03 H new ATOM 0 HB3 LYS A 43 -0.557 20.418 6.281 1.00 54.03 H new ATOM 0 HG2 LYS A 43 0.948 18.408 6.359 1.00 41.30 H new ATOM 0 HG3 LYS A 43 0.555 18.103 4.679 1.00 41.30 H new ATOM 0 HD2 LYS A 43 2.658 19.279 4.752 1.00 61.31 H new ATOM 0 HD3 LYS A 43 1.456 20.364 4.084 1.00 61.31 H new ATOM 0 HE2 LYS A 43 1.217 21.510 6.241 1.00 21.15 H new ATOM 0 HE3 LYS A 43 2.287 20.357 7.014 1.00 21.15 H new ATOM 0 HZ1 LYS A 43 3.431 22.385 6.468 1.00 13.51 H new ATOM 0 HZ2 LYS A 43 4.074 21.093 5.574 1.00 13.51 H new ATOM 0 HZ3 LYS A 43 3.038 22.210 4.826 1.00 13.51 H new ATOM 712 N ASN A 44 -3.742 19.432 5.052 1.00 41.32 N ATOM 713 CA ASN A 44 -5.001 20.173 4.939 1.00 52.34 C ATOM 714 C ASN A 44 -6.176 19.358 5.435 1.00 11.33 C ATOM 715 O ASN A 44 -7.188 19.902 5.877 1.00 12.33 O ATOM 716 CB ASN A 44 -5.258 20.626 3.489 1.00 51.24 C ATOM 717 CG ASN A 44 -4.185 21.553 2.949 1.00 12.30 C ATOM 718 OD1 ASN A 44 -3.201 21.112 2.356 1.00 4.15 O ATOM 719 ND2 ASN A 44 -4.356 22.832 3.144 1.00 2.11 N ATOM 0 H ASN A 44 -3.435 18.976 4.193 1.00 41.32 H new ATOM 0 HA ASN A 44 -4.902 21.056 5.570 1.00 52.34 H new ATOM 0 HB2 ASN A 44 -5.325 19.747 2.848 1.00 51.24 H new ATOM 0 HB3 ASN A 44 -6.223 21.131 3.439 1.00 51.24 H new ATOM 0 HD21 ASN A 44 -3.663 23.497 2.801 1.00 2.11 H new ATOM 0 HD22 ASN A 44 -5.183 23.166 3.639 1.00 2.11 H new ATOM 726 N ASN A 45 -6.032 18.060 5.370 1.00 44.21 N ATOM 727 CA ASN A 45 -7.133 17.153 5.679 1.00 34.20 C ATOM 728 C ASN A 45 -6.894 16.412 7.014 1.00 25.14 C ATOM 729 O ASN A 45 -7.834 16.084 7.730 1.00 43.04 O ATOM 730 CB ASN A 45 -7.261 16.184 4.495 1.00 34.33 C ATOM 731 CG ASN A 45 -8.458 15.253 4.501 1.00 42.12 C ATOM 732 OD1 ASN A 45 -8.962 14.828 5.534 1.00 62.42 O ATOM 733 ND2 ASN A 45 -8.904 14.924 3.327 1.00 52.42 N ATOM 0 H ASN A 45 -5.163 17.595 5.106 1.00 44.21 H new ATOM 0 HA ASN A 45 -8.064 17.704 5.813 1.00 34.20 H new ATOM 0 HB2 ASN A 45 -7.292 16.771 3.577 1.00 34.33 H new ATOM 0 HB3 ASN A 45 -6.357 15.576 4.454 1.00 34.33 H new ATOM 0 HD21 ASN A 45 -9.700 14.292 3.243 1.00 52.42 H new ATOM 0 HD22 ASN A 45 -8.459 15.298 2.489 1.00 52.42 H new ATOM 740 N ASN A 46 -5.621 16.193 7.345 1.00 62.31 N ATOM 741 CA ASN A 46 -5.160 15.520 8.602 1.00 3.44 C ATOM 742 C ASN A 46 -5.267 13.992 8.603 1.00 54.31 C ATOM 743 O ASN A 46 -4.835 13.329 9.556 1.00 64.03 O ATOM 744 CB ASN A 46 -5.713 16.157 9.895 1.00 2.25 C ATOM 745 CG ASN A 46 -5.194 17.569 10.106 1.00 52.33 C ATOM 746 OD1 ASN A 46 -4.137 17.770 10.707 1.00 24.23 O ATOM 747 ND2 ASN A 46 -5.924 18.550 9.634 1.00 25.11 N ATOM 0 H ASN A 46 -4.848 16.478 6.744 1.00 62.31 H new ATOM 0 HA ASN A 46 -4.088 15.718 8.603 1.00 3.44 H new ATOM 0 HB2 ASN A 46 -6.802 16.175 9.852 1.00 2.25 H new ATOM 0 HB3 ASN A 46 -5.437 15.539 10.749 1.00 2.25 H new ATOM 0 HD21 ASN A 46 -5.622 19.516 9.759 1.00 25.11 H new ATOM 0 HD22 ASN A 46 -6.794 18.347 9.141 1.00 25.11 H new ATOM 754 N ARG A 47 -5.777 13.427 7.532 1.00 53.23 N ATOM 755 CA ARG A 47 -5.901 11.979 7.446 1.00 51.32 C ATOM 756 C ARG A 47 -4.629 11.346 6.900 1.00 22.14 C ATOM 757 O ARG A 47 -3.724 12.044 6.450 1.00 42.44 O ATOM 758 CB ARG A 47 -7.088 11.573 6.596 1.00 2.11 C ATOM 759 CG ARG A 47 -7.002 12.026 5.179 1.00 44.31 C ATOM 760 CD ARG A 47 -8.147 11.481 4.345 1.00 35.53 C ATOM 761 NE ARG A 47 -8.093 11.984 2.975 1.00 24.44 N ATOM 762 CZ ARG A 47 -7.991 11.226 1.873 1.00 62.21 C ATOM 763 NH1 ARG A 47 -7.925 9.902 1.964 1.00 21.24 N ATOM 764 NH2 ARG A 47 -7.958 11.805 0.681 1.00 50.31 N ATOM 0 H ARG A 47 -6.111 13.936 6.714 1.00 53.23 H new ATOM 0 HA ARG A 47 -6.063 11.613 8.460 1.00 51.32 H new ATOM 0 HB2 ARG A 47 -7.181 10.487 6.615 1.00 2.11 H new ATOM 0 HB3 ARG A 47 -7.997 11.978 7.042 1.00 2.11 H new ATOM 0 HG2 ARG A 47 -7.013 13.115 5.144 1.00 44.31 H new ATOM 0 HG3 ARG A 47 -6.053 11.702 4.750 1.00 44.31 H new ATOM 0 HD2 ARG A 47 -8.107 10.392 4.336 1.00 35.53 H new ATOM 0 HD3 ARG A 47 -9.097 11.761 4.800 1.00 35.53 H new ATOM 0 HE ARG A 47 -8.136 12.995 2.845 1.00 24.44 H new ATOM 0 HH11 ARG A 47 -7.952 9.452 2.879 1.00 21.24 H new ATOM 0 HH12 ARG A 47 -7.848 9.336 1.119 1.00 21.24 H new ATOM 0 HH21 ARG A 47 -8.010 12.821 0.606 1.00 50.31 H new ATOM 0 HH22 ARG A 47 -7.881 11.235 -0.161 1.00 50.31 H new ATOM 778 N GLN A 48 -4.568 10.047 6.960 1.00 3.12 N ATOM 779 CA GLN A 48 -3.470 9.283 6.467 1.00 41.44 C ATOM 780 C GLN A 48 -3.895 8.681 5.119 1.00 31.12 C ATOM 781 O GLN A 48 -5.083 8.405 4.930 1.00 13.40 O ATOM 782 CB GLN A 48 -3.253 8.141 7.442 1.00 33.22 C ATOM 783 CG GLN A 48 -2.055 7.301 7.149 1.00 1.33 C ATOM 784 CD GLN A 48 -1.957 6.095 8.058 1.00 62.21 C ATOM 785 OE1 GLN A 48 -2.968 5.552 8.502 1.00 63.02 O ATOM 786 NE2 GLN A 48 -0.762 5.672 8.350 1.00 64.01 N ATOM 0 H GLN A 48 -5.308 9.476 7.368 1.00 3.12 H new ATOM 0 HA GLN A 48 -2.571 9.889 6.357 1.00 41.44 H new ATOM 0 HB2 GLN A 48 -3.157 8.551 8.448 1.00 33.22 H new ATOM 0 HB3 GLN A 48 -4.138 7.504 7.440 1.00 33.22 H new ATOM 0 HG2 GLN A 48 -2.093 6.968 6.112 1.00 1.33 H new ATOM 0 HG3 GLN A 48 -1.155 7.907 7.256 1.00 1.33 H new ATOM 0 HE21 GLN A 48 0.055 6.146 7.964 1.00 64.01 H new ATOM 0 HE22 GLN A 48 -0.642 4.867 8.964 1.00 64.01 H new ATOM 795 N VAL A 49 -2.976 8.500 4.199 1.00 24.32 N ATOM 796 CA VAL A 49 -3.311 7.839 2.949 1.00 31.45 C ATOM 797 C VAL A 49 -2.093 7.166 2.363 1.00 5.40 C ATOM 798 O VAL A 49 -0.959 7.489 2.717 1.00 54.35 O ATOM 799 CB VAL A 49 -3.930 8.807 1.884 1.00 30.55 C ATOM 800 CG1 VAL A 49 -2.924 9.791 1.305 1.00 64.32 C ATOM 801 CG2 VAL A 49 -4.659 8.058 0.784 1.00 13.55 C ATOM 0 H VAL A 49 -2.003 8.794 4.285 1.00 24.32 H new ATOM 0 HA VAL A 49 -4.071 7.097 3.195 1.00 31.45 H new ATOM 0 HB VAL A 49 -4.665 9.401 2.427 1.00 30.55 H new ATOM 0 HG11 VAL A 49 -3.420 10.431 0.575 1.00 64.32 H new ATOM 0 HG12 VAL A 49 -2.514 10.406 2.106 1.00 64.32 H new ATOM 0 HG13 VAL A 49 -2.117 9.243 0.819 1.00 64.32 H new ATOM 0 HG21 VAL A 49 -5.071 8.771 0.070 1.00 13.55 H new ATOM 0 HG22 VAL A 49 -3.962 7.394 0.273 1.00 13.55 H new ATOM 0 HG23 VAL A 49 -5.468 7.471 1.218 1.00 13.55 H new ATOM 811 N CYS A 50 -2.334 6.243 1.496 1.00 1.31 N ATOM 812 CA CYS A 50 -1.290 5.576 0.777 1.00 72.30 C ATOM 813 C CYS A 50 -1.104 6.227 -0.572 1.00 12.32 C ATOM 814 O CYS A 50 -2.043 6.325 -1.384 1.00 44.31 O ATOM 815 CB CYS A 50 -1.557 4.083 0.637 1.00 15.22 C ATOM 816 SG CYS A 50 -1.532 3.177 2.220 1.00 1.34 S ATOM 0 H CYS A 50 -3.273 5.922 1.260 1.00 1.31 H new ATOM 0 HA CYS A 50 -0.367 5.674 1.349 1.00 72.30 H new ATOM 0 HB2 CYS A 50 -2.528 3.940 0.163 1.00 15.22 H new ATOM 0 HB3 CYS A 50 -0.810 3.651 -0.030 1.00 15.22 H new ATOM 821 N ILE A 51 0.075 6.691 -0.780 1.00 63.35 N ATOM 822 CA ILE A 51 0.470 7.363 -1.965 1.00 51.32 C ATOM 823 C ILE A 51 1.085 6.348 -2.946 1.00 72.23 C ATOM 824 O ILE A 51 1.784 5.410 -2.530 1.00 64.44 O ATOM 825 CB ILE A 51 1.529 8.451 -1.612 1.00 70.41 C ATOM 826 CG1 ILE A 51 0.984 9.528 -0.668 1.00 41.11 C ATOM 827 CG2 ILE A 51 2.057 9.088 -2.833 1.00 62.54 C ATOM 828 CD1 ILE A 51 -0.101 10.359 -1.248 1.00 15.21 C ATOM 0 H ILE A 51 0.827 6.609 -0.096 1.00 63.35 H new ATOM 0 HA ILE A 51 -0.398 7.835 -2.426 1.00 51.32 H new ATOM 0 HB ILE A 51 2.334 7.932 -1.091 1.00 70.41 H new ATOM 0 HG12 ILE A 51 0.613 9.047 0.237 1.00 41.11 H new ATOM 0 HG13 ILE A 51 1.804 10.180 -0.368 1.00 41.11 H new ATOM 0 HG21 ILE A 51 2.794 9.843 -2.560 1.00 62.54 H new ATOM 0 HG22 ILE A 51 2.528 8.333 -3.463 1.00 62.54 H new ATOM 0 HG23 ILE A 51 1.240 9.559 -3.380 1.00 62.54 H new ATOM 0 HD11 ILE A 51 -0.428 11.095 -0.513 1.00 15.21 H new ATOM 0 HD12 ILE A 51 0.269 10.872 -2.136 1.00 15.21 H new ATOM 0 HD13 ILE A 51 -0.941 9.721 -1.521 1.00 15.21 H new ATOM 840 N ASP A 52 0.802 6.532 -4.225 1.00 0.30 N ATOM 841 CA ASP A 52 1.324 5.671 -5.283 1.00 23.34 C ATOM 842 C ASP A 52 2.806 5.927 -5.522 1.00 54.21 C ATOM 843 O ASP A 52 3.216 7.067 -5.758 1.00 3.21 O ATOM 844 CB ASP A 52 0.509 5.856 -6.567 1.00 0.54 C ATOM 845 CG ASP A 52 1.094 5.157 -7.769 1.00 12.14 C ATOM 846 OD1 ASP A 52 1.106 3.912 -7.805 1.00 30.13 O ATOM 847 OD2 ASP A 52 1.499 5.851 -8.717 1.00 33.15 O ATOM 0 H ASP A 52 0.202 7.284 -4.564 1.00 0.30 H new ATOM 0 HA ASP A 52 1.225 4.634 -4.963 1.00 23.34 H new ATOM 0 HB2 ASP A 52 -0.502 5.485 -6.400 1.00 0.54 H new ATOM 0 HB3 ASP A 52 0.427 6.921 -6.783 1.00 0.54 H new ATOM 852 N PRO A 53 3.630 4.862 -5.472 1.00 30.33 N ATOM 853 CA PRO A 53 5.090 4.961 -5.611 1.00 31.34 C ATOM 854 C PRO A 53 5.563 5.439 -6.996 1.00 21.11 C ATOM 855 O PRO A 53 6.737 5.760 -7.177 1.00 32.52 O ATOM 856 CB PRO A 53 5.574 3.525 -5.360 1.00 45.42 C ATOM 857 CG PRO A 53 4.400 2.677 -5.683 1.00 22.13 C ATOM 858 CD PRO A 53 3.204 3.466 -5.254 1.00 74.24 C ATOM 0 HA PRO A 53 5.489 5.705 -4.921 1.00 31.34 H new ATOM 0 HB2 PRO A 53 6.428 3.278 -5.991 1.00 45.42 H new ATOM 0 HB3 PRO A 53 5.891 3.388 -4.326 1.00 45.42 H new ATOM 0 HG2 PRO A 53 4.360 2.453 -6.749 1.00 22.13 H new ATOM 0 HG3 PRO A 53 4.449 1.723 -5.158 1.00 22.13 H new ATOM 0 HD2 PRO A 53 2.323 3.216 -5.845 1.00 74.24 H new ATOM 0 HD3 PRO A 53 2.951 3.280 -4.210 1.00 74.24 H new ATOM 866 N LYS A 54 4.661 5.493 -7.959 1.00 34.04 N ATOM 867 CA LYS A 54 5.024 5.903 -9.305 1.00 12.22 C ATOM 868 C LYS A 54 5.018 7.418 -9.467 1.00 74.51 C ATOM 869 O LYS A 54 5.562 7.940 -10.449 1.00 71.43 O ATOM 870 CB LYS A 54 4.122 5.245 -10.337 1.00 22.13 C ATOM 871 CG LYS A 54 4.219 3.729 -10.345 1.00 3.21 C ATOM 872 CD LYS A 54 3.309 3.112 -11.387 1.00 43.41 C ATOM 873 CE LYS A 54 1.845 3.429 -11.116 1.00 33.12 C ATOM 874 NZ LYS A 54 0.954 2.790 -12.097 1.00 54.13 N ATOM 0 H LYS A 54 3.676 5.259 -7.836 1.00 34.04 H new ATOM 0 HA LYS A 54 6.046 5.566 -9.475 1.00 12.22 H new ATOM 0 HB2 LYS A 54 3.089 5.534 -10.143 1.00 22.13 H new ATOM 0 HB3 LYS A 54 4.379 5.623 -11.327 1.00 22.13 H new ATOM 0 HG2 LYS A 54 5.249 3.432 -10.541 1.00 3.21 H new ATOM 0 HG3 LYS A 54 3.957 3.343 -9.360 1.00 3.21 H new ATOM 0 HD2 LYS A 54 3.584 3.481 -12.375 1.00 43.41 H new ATOM 0 HD3 LYS A 54 3.451 2.031 -11.400 1.00 43.41 H new ATOM 0 HE2 LYS A 54 1.581 3.094 -10.113 1.00 33.12 H new ATOM 0 HE3 LYS A 54 1.697 4.509 -11.140 1.00 33.12 H new ATOM 0 HZ1 LYS A 54 -0.034 3.031 -11.877 1.00 54.13 H new ATOM 0 HZ2 LYS A 54 1.189 3.129 -13.052 1.00 54.13 H new ATOM 0 HZ3 LYS A 54 1.076 1.758 -12.056 1.00 54.13 H new ATOM 888 N LEU A 55 4.412 8.118 -8.501 1.00 34.33 N ATOM 889 CA LEU A 55 4.370 9.582 -8.499 1.00 11.04 C ATOM 890 C LEU A 55 5.753 10.183 -8.627 1.00 33.32 C ATOM 891 O LEU A 55 6.704 9.737 -7.991 1.00 5.22 O ATOM 892 CB LEU A 55 3.666 10.086 -7.252 1.00 50.11 C ATOM 893 CG LEU A 55 2.148 9.885 -7.214 1.00 11.34 C ATOM 894 CD1 LEU A 55 1.598 10.375 -5.911 1.00 73.44 C ATOM 895 CD2 LEU A 55 1.486 10.632 -8.356 1.00 73.44 C ATOM 0 H LEU A 55 3.941 7.688 -7.705 1.00 34.33 H new ATOM 0 HA LEU A 55 3.802 9.903 -9.372 1.00 11.04 H new ATOM 0 HB2 LEU A 55 4.101 9.587 -6.386 1.00 50.11 H new ATOM 0 HB3 LEU A 55 3.875 11.150 -7.145 1.00 50.11 H new ATOM 0 HG LEU A 55 1.939 8.820 -7.318 1.00 11.34 H new ATOM 0 HD11 LEU A 55 0.518 10.228 -5.894 1.00 73.44 H new ATOM 0 HD12 LEU A 55 2.053 9.819 -5.092 1.00 73.44 H new ATOM 0 HD13 LEU A 55 1.821 11.436 -5.798 1.00 73.44 H new ATOM 0 HD21 LEU A 55 0.408 10.479 -8.314 1.00 73.44 H new ATOM 0 HD22 LEU A 55 1.705 11.696 -8.270 1.00 73.44 H new ATOM 0 HD23 LEU A 55 1.869 10.259 -9.306 1.00 73.44 H new ATOM 907 N LYS A 56 5.861 11.200 -9.446 1.00 54.22 N ATOM 908 CA LYS A 56 7.136 11.801 -9.741 1.00 22.24 C ATOM 909 C LYS A 56 7.660 12.590 -8.531 1.00 64.15 C ATOM 910 O LYS A 56 8.876 12.691 -8.322 1.00 54.04 O ATOM 911 CB LYS A 56 7.050 12.664 -11.011 1.00 64.40 C ATOM 912 CG LYS A 56 8.393 13.180 -11.503 1.00 23.34 C ATOM 913 CD LYS A 56 8.257 13.960 -12.803 1.00 11.13 C ATOM 914 CE LYS A 56 9.615 14.424 -13.297 1.00 71.02 C ATOM 915 NZ LYS A 56 9.526 15.201 -14.545 1.00 61.44 N ATOM 0 H LYS A 56 5.071 11.632 -9.925 1.00 54.22 H new ATOM 0 HA LYS A 56 7.859 11.010 -9.941 1.00 22.24 H new ATOM 0 HB2 LYS A 56 6.585 12.079 -11.804 1.00 64.40 H new ATOM 0 HB3 LYS A 56 6.396 13.514 -10.816 1.00 64.40 H new ATOM 0 HG2 LYS A 56 8.838 13.819 -10.741 1.00 23.34 H new ATOM 0 HG3 LYS A 56 9.072 12.341 -11.652 1.00 23.34 H new ATOM 0 HD2 LYS A 56 7.784 13.335 -13.560 1.00 11.13 H new ATOM 0 HD3 LYS A 56 7.607 14.821 -12.649 1.00 11.13 H new ATOM 0 HE2 LYS A 56 10.090 15.032 -12.527 1.00 71.02 H new ATOM 0 HE3 LYS A 56 10.255 13.557 -13.458 1.00 71.02 H new ATOM 0 HZ1 LYS A 56 10.479 15.494 -14.840 1.00 61.44 H new ATOM 0 HZ2 LYS A 56 9.098 14.614 -15.289 1.00 61.44 H new ATOM 0 HZ3 LYS A 56 8.938 16.044 -14.388 1.00 61.44 H new ATOM 929 N TRP A 57 6.750 13.124 -7.711 1.00 5.33 N ATOM 930 CA TRP A 57 7.173 13.820 -6.490 1.00 20.05 C ATOM 931 C TRP A 57 7.580 12.780 -5.445 1.00 10.23 C ATOM 932 O TRP A 57 8.232 13.073 -4.448 1.00 64.53 O ATOM 933 CB TRP A 57 6.079 14.772 -5.934 1.00 75.11 C ATOM 934 CG TRP A 57 4.845 14.126 -5.321 1.00 42.43 C ATOM 935 CD1 TRP A 57 3.643 13.857 -5.920 1.00 21.50 C ATOM 936 CD2 TRP A 57 4.707 13.699 -3.963 1.00 74.04 C ATOM 937 NE1 TRP A 57 2.775 13.313 -4.993 1.00 71.14 N ATOM 938 CE2 TRP A 57 3.410 13.199 -3.802 1.00 61.55 C ATOM 939 CE3 TRP A 57 5.564 13.695 -2.875 1.00 24.55 C ATOM 940 CZ2 TRP A 57 2.953 12.706 -2.591 1.00 51.45 C ATOM 941 CZ3 TRP A 57 5.115 13.202 -1.681 1.00 72.51 C ATOM 942 CH2 TRP A 57 3.822 12.714 -1.543 1.00 24.32 C ATOM 0 H TRP A 57 5.742 13.091 -7.863 1.00 5.33 H new ATOM 0 HA TRP A 57 8.025 14.454 -6.735 1.00 20.05 H new ATOM 0 HB2 TRP A 57 6.538 15.410 -5.178 1.00 75.11 H new ATOM 0 HB3 TRP A 57 5.753 15.423 -6.745 1.00 75.11 H new ATOM 0 HD1 TRP A 57 3.409 14.042 -6.958 1.00 21.50 H new ATOM 0 HE1 TRP A 57 1.809 13.040 -5.176 1.00 71.14 H new ATOM 0 HE3 TRP A 57 6.571 14.075 -2.968 1.00 24.55 H new ATOM 0 HZ2 TRP A 57 1.946 12.330 -2.482 1.00 51.45 H new ATOM 0 HZ3 TRP A 57 5.779 13.192 -0.829 1.00 72.51 H new ATOM 0 HH2 TRP A 57 3.499 12.333 -0.585 1.00 24.32 H new ATOM 953 N ILE A 58 7.164 11.581 -5.679 1.00 3.25 N ATOM 954 CA ILE A 58 7.539 10.465 -4.876 1.00 42.33 C ATOM 955 C ILE A 58 8.919 9.974 -5.282 1.00 3.32 C ATOM 956 O ILE A 58 9.729 9.622 -4.439 1.00 11.33 O ATOM 957 CB ILE A 58 6.482 9.349 -4.975 1.00 33.50 C ATOM 958 CG1 ILE A 58 5.235 9.699 -4.169 1.00 41.51 C ATOM 959 CG2 ILE A 58 7.018 8.007 -4.600 1.00 24.51 C ATOM 960 CD1 ILE A 58 5.475 9.816 -2.674 1.00 0.52 C ATOM 0 H ILE A 58 6.540 11.344 -6.450 1.00 3.25 H new ATOM 0 HA ILE A 58 7.587 10.774 -3.832 1.00 42.33 H new ATOM 0 HB ILE A 58 6.198 9.280 -6.025 1.00 33.50 H new ATOM 0 HG12 ILE A 58 4.831 10.643 -4.536 1.00 41.51 H new ATOM 0 HG13 ILE A 58 4.476 8.937 -4.346 1.00 41.51 H new ATOM 0 HG21 ILE A 58 6.228 7.262 -4.689 1.00 24.51 H new ATOM 0 HG22 ILE A 58 7.841 7.745 -5.265 1.00 24.51 H new ATOM 0 HG23 ILE A 58 7.378 8.033 -3.571 1.00 24.51 H new ATOM 0 HD11 ILE A 58 4.540 10.067 -2.174 1.00 0.52 H new ATOM 0 HD12 ILE A 58 5.848 8.867 -2.290 1.00 0.52 H new ATOM 0 HD13 ILE A 58 6.209 10.599 -2.484 1.00 0.52 H new ATOM 972 N GLN A 59 9.187 9.991 -6.575 1.00 70.15 N ATOM 973 CA GLN A 59 10.479 9.568 -7.092 1.00 44.24 C ATOM 974 C GLN A 59 11.606 10.446 -6.543 1.00 12.14 C ATOM 975 O GLN A 59 12.678 9.940 -6.197 1.00 72.24 O ATOM 976 CB GLN A 59 10.485 9.547 -8.619 1.00 13.31 C ATOM 977 CG GLN A 59 9.462 8.588 -9.216 1.00 15.13 C ATOM 978 CD GLN A 59 9.516 8.538 -10.727 1.00 4.05 C ATOM 979 OE1 GLN A 59 10.573 8.723 -11.333 1.00 51.35 O ATOM 980 NE2 GLN A 59 8.388 8.300 -11.346 1.00 43.34 N ATOM 0 H GLN A 59 8.526 10.294 -7.290 1.00 70.15 H new ATOM 0 HA GLN A 59 10.656 8.548 -6.750 1.00 44.24 H new ATOM 0 HB2 GLN A 59 10.288 10.553 -8.989 1.00 13.31 H new ATOM 0 HB3 GLN A 59 11.480 9.268 -8.967 1.00 13.31 H new ATOM 0 HG2 GLN A 59 9.633 7.588 -8.818 1.00 15.13 H new ATOM 0 HG3 GLN A 59 8.462 8.889 -8.903 1.00 15.13 H new ATOM 0 HE21 GLN A 59 7.533 8.152 -10.809 1.00 43.34 H new ATOM 0 HE22 GLN A 59 8.363 8.263 -12.365 1.00 43.34 H new ATOM 989 N GLU A 60 11.346 11.760 -6.433 1.00 34.35 N ATOM 990 CA GLU A 60 12.330 12.684 -5.858 1.00 52.23 C ATOM 991 C GLU A 60 12.525 12.365 -4.375 1.00 33.51 C ATOM 992 O GLU A 60 13.639 12.440 -3.836 1.00 33.52 O ATOM 993 CB GLU A 60 11.908 14.154 -6.035 1.00 31.45 C ATOM 994 CG GLU A 60 10.596 14.526 -5.394 1.00 11.22 C ATOM 995 CD GLU A 60 10.276 15.991 -5.490 1.00 72.13 C ATOM 996 OE1 GLU A 60 9.833 16.443 -6.564 1.00 60.42 O ATOM 997 OE2 GLU A 60 10.461 16.717 -4.489 1.00 42.44 O ATOM 0 H GLU A 60 10.475 12.199 -6.731 1.00 34.35 H new ATOM 0 HA GLU A 60 13.271 12.550 -6.391 1.00 52.23 H new ATOM 0 HB2 GLU A 60 12.690 14.792 -5.622 1.00 31.45 H new ATOM 0 HB3 GLU A 60 11.848 14.372 -7.101 1.00 31.45 H new ATOM 0 HG2 GLU A 60 9.796 13.956 -5.866 1.00 11.22 H new ATOM 0 HG3 GLU A 60 10.618 14.235 -4.344 1.00 11.22 H new ATOM 1004 N TYR A 61 11.433 12.021 -3.736 1.00 41.11 N ATOM 1005 CA TYR A 61 11.426 11.603 -2.353 1.00 72.23 C ATOM 1006 C TYR A 61 12.257 10.344 -2.159 1.00 22.00 C ATOM 1007 O TYR A 61 13.060 10.284 -1.262 1.00 52.14 O ATOM 1008 CB TYR A 61 9.984 11.409 -1.851 1.00 23.04 C ATOM 1009 CG TYR A 61 9.870 10.699 -0.519 1.00 24.31 C ATOM 1010 CD1 TYR A 61 10.294 11.296 0.665 1.00 0.32 C ATOM 1011 CD2 TYR A 61 9.350 9.411 -0.457 1.00 71.31 C ATOM 1012 CE1 TYR A 61 10.196 10.628 1.874 1.00 54.02 C ATOM 1013 CE2 TYR A 61 9.246 8.738 0.733 1.00 45.54 C ATOM 1014 CZ TYR A 61 9.673 9.349 1.907 1.00 24.10 C ATOM 1015 OH TYR A 61 9.568 8.683 3.114 1.00 11.12 O ATOM 0 H TYR A 61 10.509 12.023 -4.168 1.00 41.11 H new ATOM 0 HA TYR A 61 11.884 12.391 -1.756 1.00 72.23 H new ATOM 0 HB2 TYR A 61 9.507 12.386 -1.769 1.00 23.04 H new ATOM 0 HB3 TYR A 61 9.426 10.844 -2.598 1.00 23.04 H new ATOM 0 HD1 TYR A 61 10.705 12.294 0.640 1.00 0.32 H new ATOM 0 HD2 TYR A 61 9.021 8.930 -1.366 1.00 71.31 H new ATOM 0 HE1 TYR A 61 10.526 11.104 2.786 1.00 54.02 H new ATOM 0 HE2 TYR A 61 8.835 7.740 0.758 1.00 45.54 H new ATOM 0 HH TYR A 61 8.886 9.117 3.669 1.00 11.12 H new ATOM 1025 N LEU A 62 12.064 9.363 -3.027 1.00 14.13 N ATOM 1026 CA LEU A 62 12.807 8.091 -2.974 1.00 34.12 C ATOM 1027 C LEU A 62 14.288 8.317 -3.040 1.00 50.12 C ATOM 1028 O LEU A 62 15.060 7.623 -2.377 1.00 42.33 O ATOM 1029 CB LEU A 62 12.373 7.171 -4.103 1.00 43.33 C ATOM 1030 CG LEU A 62 10.919 6.742 -4.069 1.00 54.35 C ATOM 1031 CD1 LEU A 62 10.597 5.872 -5.254 1.00 63.53 C ATOM 1032 CD2 LEU A 62 10.625 6.016 -2.778 1.00 11.34 C ATOM 0 H LEU A 62 11.391 9.416 -3.791 1.00 14.13 H new ATOM 0 HA LEU A 62 12.577 7.617 -2.019 1.00 34.12 H new ATOM 0 HB2 LEU A 62 12.564 7.673 -5.052 1.00 43.33 H new ATOM 0 HB3 LEU A 62 12.998 6.278 -4.083 1.00 43.33 H new ATOM 0 HG LEU A 62 10.289 7.630 -4.121 1.00 54.35 H new ATOM 0 HD11 LEU A 62 9.549 5.574 -5.213 1.00 63.53 H new ATOM 0 HD12 LEU A 62 10.780 6.428 -6.174 1.00 63.53 H new ATOM 0 HD13 LEU A 62 11.228 4.983 -5.235 1.00 63.53 H new ATOM 0 HD21 LEU A 62 9.579 5.711 -2.762 1.00 11.34 H new ATOM 0 HD22 LEU A 62 11.261 5.134 -2.704 1.00 11.34 H new ATOM 0 HD23 LEU A 62 10.823 6.678 -1.935 1.00 11.34 H new ATOM 1044 N GLU A 63 14.683 9.272 -3.831 1.00 23.34 N ATOM 1045 CA GLU A 63 16.084 9.633 -3.943 1.00 72.32 C ATOM 1046 C GLU A 63 16.636 10.036 -2.588 1.00 22.42 C ATOM 1047 O GLU A 63 17.649 9.524 -2.168 1.00 62.14 O ATOM 1048 CB GLU A 63 16.291 10.750 -4.963 1.00 2.24 C ATOM 1049 CG GLU A 63 15.766 10.401 -6.334 1.00 31.35 C ATOM 1050 CD GLU A 63 16.029 11.459 -7.368 1.00 64.42 C ATOM 1051 OE1 GLU A 63 15.302 12.483 -7.390 1.00 12.31 O ATOM 1052 OE2 GLU A 63 16.934 11.266 -8.203 1.00 44.34 O ATOM 0 H GLU A 63 14.056 9.824 -4.416 1.00 23.34 H new ATOM 0 HA GLU A 63 16.629 8.758 -4.296 1.00 72.32 H new ATOM 0 HB2 GLU A 63 15.795 11.654 -4.609 1.00 2.24 H new ATOM 0 HB3 GLU A 63 17.355 10.977 -5.034 1.00 2.24 H new ATOM 0 HG2 GLU A 63 16.220 9.466 -6.660 1.00 31.35 H new ATOM 0 HG3 GLU A 63 14.692 10.228 -6.269 1.00 31.35 H new ATOM 1059 N LYS A 64 15.911 10.897 -1.886 1.00 61.22 N ATOM 1060 CA LYS A 64 16.361 11.399 -0.588 1.00 74.42 C ATOM 1061 C LYS A 64 15.986 10.495 0.583 1.00 50.32 C ATOM 1062 O LYS A 64 16.545 10.625 1.673 1.00 62.12 O ATOM 1063 CB LYS A 64 15.902 12.836 -0.343 1.00 54.20 C ATOM 1064 CG LYS A 64 16.560 13.868 -1.249 1.00 33.44 C ATOM 1065 CD LYS A 64 18.066 13.849 -1.063 1.00 60.24 C ATOM 1066 CE LYS A 64 18.770 14.900 -1.879 1.00 31.10 C ATOM 1067 NZ LYS A 64 20.235 14.775 -1.744 1.00 42.33 N ATOM 0 H LYS A 64 15.009 11.264 -2.190 1.00 61.22 H new ATOM 0 HA LYS A 64 17.450 11.393 -0.639 1.00 74.42 H new ATOM 0 HB2 LYS A 64 14.822 12.888 -0.478 1.00 54.20 H new ATOM 0 HB3 LYS A 64 16.107 13.098 0.695 1.00 54.20 H new ATOM 0 HG2 LYS A 64 16.313 13.658 -2.290 1.00 33.44 H new ATOM 0 HG3 LYS A 64 16.171 14.861 -1.023 1.00 33.44 H new ATOM 0 HD2 LYS A 64 18.299 13.998 -0.009 1.00 60.24 H new ATOM 0 HD3 LYS A 64 18.449 12.866 -1.338 1.00 60.24 H new ATOM 0 HE2 LYS A 64 18.487 14.803 -2.927 1.00 31.10 H new ATOM 0 HE3 LYS A 64 18.454 15.891 -1.554 1.00 31.10 H new ATOM 0 HZ1 LYS A 64 20.681 15.695 -1.934 1.00 42.33 H new ATOM 0 HZ2 LYS A 64 20.470 14.469 -0.778 1.00 42.33 H new ATOM 0 HZ3 LYS A 64 20.588 14.073 -2.425 1.00 42.33 H new ATOM 1081 N ALA A 65 15.040 9.609 0.380 1.00 72.13 N ATOM 1082 CA ALA A 65 14.658 8.662 1.414 1.00 62.24 C ATOM 1083 C ALA A 65 15.778 7.667 1.604 1.00 34.23 C ATOM 1084 O ALA A 65 16.061 7.220 2.719 1.00 43.21 O ATOM 1085 CB ALA A 65 13.364 7.952 1.048 1.00 74.33 C ATOM 0 H ALA A 65 14.517 9.520 -0.491 1.00 72.13 H new ATOM 0 HA ALA A 65 14.485 9.198 2.347 1.00 62.24 H new ATOM 0 HB1 ALA A 65 13.099 7.249 1.837 1.00 74.33 H new ATOM 0 HB2 ALA A 65 12.566 8.686 0.933 1.00 74.33 H new ATOM 0 HB3 ALA A 65 13.498 7.412 0.111 1.00 74.33 H new ATOM 1091 N LEU A 66 16.413 7.339 0.505 1.00 34.14 N ATOM 1092 CA LEU A 66 17.544 6.456 0.497 1.00 51.43 C ATOM 1093 C LEU A 66 18.851 7.254 0.637 1.00 25.03 C ATOM 1094 O LEU A 66 19.586 7.083 1.622 1.00 13.01 O ATOM 1095 CB LEU A 66 17.548 5.558 -0.765 1.00 41.04 C ATOM 1096 CG LEU A 66 16.519 4.391 -0.825 1.00 11.43 C ATOM 1097 CD1 LEU A 66 15.074 4.869 -0.824 1.00 11.22 C ATOM 1098 CD2 LEU A 66 16.785 3.506 -2.030 1.00 40.41 C ATOM 0 H LEU A 66 16.152 7.685 -0.419 1.00 34.14 H new ATOM 0 HA LEU A 66 17.467 5.791 1.358 1.00 51.43 H new ATOM 0 HB2 LEU A 66 17.381 6.197 -1.632 1.00 41.04 H new ATOM 0 HB3 LEU A 66 18.546 5.132 -0.870 1.00 41.04 H new ATOM 0 HG LEU A 66 16.656 3.810 0.087 1.00 11.43 H new ATOM 0 HD11 LEU A 66 14.406 4.009 -0.867 1.00 11.22 H new ATOM 0 HD12 LEU A 66 14.879 5.435 0.087 1.00 11.22 H new ATOM 0 HD13 LEU A 66 14.901 5.506 -1.691 1.00 11.22 H new ATOM 0 HD21 LEU A 66 16.056 2.696 -2.055 1.00 40.41 H new ATOM 0 HD22 LEU A 66 16.701 4.098 -2.942 1.00 40.41 H new ATOM 0 HD23 LEU A 66 17.789 3.088 -1.960 1.00 40.41 H new ATOM 1110 N ASN A 67 19.124 8.131 -0.315 1.00 64.43 N ATOM 1111 CA ASN A 67 20.337 8.962 -0.291 1.00 20.31 C ATOM 1112 C ASN A 67 19.984 10.397 0.033 1.00 44.23 C ATOM 1113 O ASN A 67 19.544 11.142 -0.826 1.00 62.44 O ATOM 1114 CB ASN A 67 21.113 8.911 -1.629 1.00 5.32 C ATOM 1115 CG ASN A 67 21.783 7.574 -1.923 1.00 20.12 C ATOM 1116 OD1 ASN A 67 21.328 6.510 -1.501 1.00 65.42 O ATOM 1117 ND2 ASN A 67 22.874 7.622 -2.651 1.00 35.00 N ATOM 0 H ASN A 67 18.523 8.293 -1.123 1.00 64.43 H new ATOM 0 HA ASN A 67 20.985 8.554 0.485 1.00 20.31 H new ATOM 0 HB2 ASN A 67 20.425 9.144 -2.442 1.00 5.32 H new ATOM 0 HB3 ASN A 67 21.875 9.691 -1.622 1.00 5.32 H new ATOM 0 HD21 ASN A 67 23.371 6.762 -2.883 1.00 35.00 H new ATOM 0 HD22 ASN A 67 23.225 8.519 -2.985 1.00 35.00 H new ATOM 1124 N LYS A 68 20.164 10.778 1.265 1.00 11.22 N ATOM 1125 CA LYS A 68 19.790 12.100 1.703 1.00 22.04 C ATOM 1126 C LYS A 68 20.957 13.089 1.650 1.00 54.41 C ATOM 1127 O LYS A 68 21.049 13.870 0.673 1.00 36.09 O ATOM 1128 CB LYS A 68 19.102 12.044 3.068 1.00 41.34 C ATOM 1129 CG LYS A 68 19.894 11.365 4.164 1.00 0.21 C ATOM 1130 CD LYS A 68 19.041 11.146 5.390 1.00 0.12 C ATOM 1131 CE LYS A 68 18.525 12.444 5.996 1.00 50.31 C ATOM 1132 NZ LYS A 68 17.743 12.195 7.229 1.00 42.44 N ATOM 1133 OXT LYS A 68 21.811 13.072 2.557 1.00 36.09 O ATOM 0 H LYS A 68 20.570 10.190 1.992 1.00 11.22 H new ATOM 0 HA LYS A 68 19.060 12.492 0.995 1.00 22.04 H new ATOM 0 HB2 LYS A 68 18.875 13.062 3.384 1.00 41.34 H new ATOM 0 HB3 LYS A 68 18.150 11.525 2.956 1.00 41.34 H new ATOM 0 HG2 LYS A 68 20.273 10.408 3.805 1.00 0.21 H new ATOM 0 HG3 LYS A 68 20.760 11.974 4.423 1.00 0.21 H new ATOM 0 HD2 LYS A 68 18.194 10.512 5.128 1.00 0.12 H new ATOM 0 HD3 LYS A 68 19.622 10.608 6.139 1.00 0.12 H new ATOM 0 HE2 LYS A 68 19.365 13.100 6.223 1.00 50.31 H new ATOM 0 HE3 LYS A 68 17.902 12.964 5.268 1.00 50.31 H new ATOM 0 HZ1 LYS A 68 17.407 13.100 7.616 1.00 42.44 H new ATOM 0 HZ2 LYS A 68 16.927 11.589 7.006 1.00 42.44 H new ATOM 0 HZ3 LYS A 68 18.345 11.721 7.932 1.00 42.44 H new TER 1147 LYS A 68