USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -25:sc= 0.486 USER MOD Set 1.2: A 125 THR OG1 : rot 61:sc= 0.424 USER MOD Set 2.1: A 120 SER OG : rot -57:sc= 0.596 USER MOD Set 2.2: A 124 TYR OH : rot 23:sc= -1.17 USER MOD Set 3.1: A 91 THR OG1 : rot -170:sc= 0.036 USER MOD Set 3.2: A 92 HIS : no HE2:sc= -5.9! C(o=-5.9!,f=-6.2!) USER MOD Set 4.1: A 67 CYS SG : rot -83:sc= -2.04 USER MOD Set 4.2: A 71 HIS : no HD1:sc= -4.51 K(o=-6.8,f=-13!) USER MOD Set 4.3: A 90 SER OG : rot 144:sc= -0.274! USER MOD Set 5.1: A 89 ASN : amide:sc= -2.21 K(o=-5.2,f=-2.4) USER MOD Set 5.2: A 104 HIS : no HD1:sc= -3.03! C(o=-5.2!,f=-5!) USER MOD Set 6.1: A 77 HIS : no HD1:sc= -14.7! C(o=-18!,f=-13!) USER MOD Set 6.2: A 79 HIS : no HE2:sc= -3.52! C(o=-18!,f=-15!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.023 (180deg=-0.376) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.711 K(o=-0.71,f=-3.8!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 9:sc= 0.606 USER MOD Single : A 18 THR OG1 : rot -39:sc= 0.247 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.9! K(o=-3.9!,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -2.97! (180deg=-4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.56) USER MOD Single : A 58 CYS SG : rot 125:sc= -2.9! USER MOD Single : A 61 THR OG1 : rot 47:sc= 0.0157 USER MOD Single : A 64 HIS : no HD1:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 76 TYR OH : rot 0:sc= -1.56 USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= 0.735 (180deg=-2.72!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -170:sc= -1.03 USER MOD Single : A 98 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.51) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.58 K(o=-2.6,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -1.82! C(o=-1.8!,f=-5.4!) USER MOD Single : A 113 SER OG : rot 74:sc= -4.81! USER MOD Single : A 116 SER OG : rot 42:sc= 0.406! USER MOD Single : A 121 THR OG1 : rot -103:sc= 0.0668 USER MOD Single : A 129 LYS NZ :NH3+ 138:sc= -0.604 (180deg=-1.07) USER MOD Single : A 131 GLN : amide:sc= -0.777 X(o=-0.78,f=-0.3) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.557 -0.164 0.749 1.00 31.44 N ATOM 2 CA MET A 1 19.940 -1.450 0.190 1.00 2.43 C ATOM 3 C MET A 1 18.779 -2.443 0.254 1.00 74.54 C ATOM 4 O MET A 1 18.540 -3.059 1.291 1.00 33.23 O ATOM 5 CB MET A 1 21.134 -2.009 0.967 1.00 12.10 C ATOM 6 CG MET A 1 22.447 -1.410 0.460 1.00 42.21 C ATOM 7 SD MET A 1 23.773 -1.801 1.589 1.00 31.32 S ATOM 8 CE MET A 1 23.898 -3.562 1.322 1.00 13.24 C ATOM 0 H1 MET A 1 20.362 0.492 0.694 1.00 31.44 H new ATOM 0 H2 MET A 1 18.756 0.224 0.210 1.00 31.44 H new ATOM 0 H3 MET A 1 19.278 -0.287 1.743 1.00 31.44 H new ATOM 0 HA MET A 1 20.211 -1.304 -0.856 1.00 2.43 H new ATOM 0 HB2 MET A 1 21.016 -1.790 2.028 1.00 12.10 H new ATOM 0 HB3 MET A 1 21.162 -3.094 0.866 1.00 12.10 H new ATOM 0 HG2 MET A 1 22.676 -1.801 -0.532 1.00 42.21 H new ATOM 0 HG3 MET A 1 22.349 -0.329 0.362 1.00 42.21 H new ATOM 0 HE1 MET A 1 24.845 -3.924 1.722 1.00 13.24 H new ATOM 0 HE2 MET A 1 23.074 -4.066 1.828 1.00 13.24 H new ATOM 0 HE3 MET A 1 23.851 -3.772 0.254 1.00 13.24 H new ATOM 18 N ALA A 2 18.087 -2.569 -0.870 1.00 23.13 N ATOM 19 CA ALA A 2 16.957 -3.478 -0.955 1.00 14.31 C ATOM 20 C ALA A 2 17.451 -4.917 -0.793 1.00 13.44 C ATOM 21 O ALA A 2 18.638 -5.147 -0.569 1.00 61.55 O ATOM 22 CB ALA A 2 16.224 -3.259 -2.280 1.00 43.33 C ATOM 0 H ALA A 2 18.288 -2.056 -1.729 1.00 23.13 H new ATOM 0 HA ALA A 2 16.246 -3.282 -0.152 1.00 14.31 H new ATOM 0 HB1 ALA A 2 15.376 -3.941 -2.344 1.00 43.33 H new ATOM 0 HB2 ALA A 2 15.867 -2.230 -2.333 1.00 43.33 H new ATOM 0 HB3 ALA A 2 16.906 -3.449 -3.109 1.00 43.33 H new ATOM 28 N ALA A 3 16.515 -5.847 -0.911 1.00 53.21 N ATOM 29 CA ALA A 3 16.840 -7.257 -0.780 1.00 41.13 C ATOM 30 C ALA A 3 16.576 -7.962 -2.112 1.00 31.40 C ATOM 31 O ALA A 3 16.053 -9.076 -2.136 1.00 1.43 O ATOM 32 CB ALA A 3 16.034 -7.862 0.370 1.00 31.44 C ATOM 0 H ALA A 3 15.531 -5.652 -1.096 1.00 53.21 H new ATOM 0 HA ALA A 3 17.896 -7.387 -0.541 1.00 41.13 H new ATOM 0 HB1 ALA A 3 16.278 -8.920 0.468 1.00 31.44 H new ATOM 0 HB2 ALA A 3 16.280 -7.345 1.298 1.00 31.44 H new ATOM 0 HB3 ALA A 3 14.969 -7.753 0.165 1.00 31.44 H new ATOM 38 N ALA A 4 16.949 -7.286 -3.188 1.00 3.40 N ATOM 39 CA ALA A 4 16.759 -7.834 -4.520 1.00 42.42 C ATOM 40 C ALA A 4 15.361 -8.446 -4.620 1.00 71.41 C ATOM 41 O ALA A 4 15.206 -9.577 -5.080 1.00 10.23 O ATOM 42 CB ALA A 4 17.864 -8.850 -4.817 1.00 13.03 C ATOM 0 H ALA A 4 17.382 -6.363 -3.165 1.00 3.40 H new ATOM 0 HA ALA A 4 16.829 -7.048 -5.272 1.00 42.42 H new ATOM 0 HB1 ALA A 4 17.721 -9.261 -5.816 1.00 13.03 H new ATOM 0 HB2 ALA A 4 18.835 -8.358 -4.762 1.00 13.03 H new ATOM 0 HB3 ALA A 4 17.824 -9.656 -4.084 1.00 13.03 H new ATOM 48 N VAL A 5 14.378 -7.673 -4.182 1.00 61.31 N ATOM 49 CA VAL A 5 12.998 -8.126 -4.216 1.00 52.14 C ATOM 50 C VAL A 5 12.294 -7.511 -5.428 1.00 11.23 C ATOM 51 O VAL A 5 12.706 -6.464 -5.924 1.00 41.40 O ATOM 52 CB VAL A 5 12.306 -7.797 -2.892 1.00 50.40 C ATOM 53 CG1 VAL A 5 10.787 -7.929 -3.019 1.00 41.42 C ATOM 54 CG2 VAL A 5 12.840 -8.677 -1.761 1.00 23.23 C ATOM 0 H VAL A 5 14.510 -6.736 -3.802 1.00 61.31 H new ATOM 0 HA VAL A 5 12.954 -9.209 -4.329 1.00 52.14 H new ATOM 0 HB VAL A 5 12.532 -6.760 -2.645 1.00 50.40 H new ATOM 0 HG11 VAL A 5 10.320 -7.690 -2.064 1.00 41.42 H new ATOM 0 HG12 VAL A 5 10.425 -7.241 -3.783 1.00 41.42 H new ATOM 0 HG13 VAL A 5 10.533 -8.951 -3.301 1.00 41.42 H new ATOM 0 HG21 VAL A 5 12.331 -8.423 -0.831 1.00 23.23 H new ATOM 0 HG22 VAL A 5 12.659 -9.725 -1.999 1.00 23.23 H new ATOM 0 HG23 VAL A 5 13.911 -8.511 -1.646 1.00 23.23 H new ATOM 64 N ASN A 6 11.244 -8.188 -5.869 1.00 11.15 N ATOM 65 CA ASN A 6 10.479 -7.721 -7.012 1.00 72.13 C ATOM 66 C ASN A 6 9.189 -8.536 -7.125 1.00 31.34 C ATOM 67 O ASN A 6 9.052 -9.579 -6.487 1.00 61.31 O ATOM 68 CB ASN A 6 11.266 -7.900 -8.312 1.00 20.52 C ATOM 69 CG ASN A 6 11.588 -9.376 -8.559 1.00 15.21 C ATOM 70 OD1 ASN A 6 10.713 -10.207 -8.736 1.00 75.31 O ATOM 71 ND2 ASN A 6 12.888 -9.653 -8.561 1.00 3.01 N ATOM 0 H ASN A 6 10.905 -9.056 -5.455 1.00 11.15 H new ATOM 0 HA ASN A 6 10.263 -6.663 -6.863 1.00 72.13 H new ATOM 0 HB2 ASN A 6 10.689 -7.505 -9.148 1.00 20.52 H new ATOM 0 HB3 ASN A 6 12.191 -7.325 -8.264 1.00 20.52 H new ATOM 0 HD21 ASN A 6 13.205 -10.610 -8.717 1.00 3.01 H new ATOM 0 HD22 ASN A 6 13.568 -8.909 -8.406 1.00 3.01 H new ATOM 78 N SER A 7 8.276 -8.030 -7.940 1.00 14.32 N ATOM 79 CA SER A 7 7.001 -8.698 -8.144 1.00 5.22 C ATOM 80 C SER A 7 6.955 -9.321 -9.540 1.00 51.35 C ATOM 81 O SER A 7 5.910 -9.803 -9.975 1.00 12.53 O ATOM 82 CB SER A 7 5.834 -7.727 -7.957 1.00 2.44 C ATOM 83 OG SER A 7 6.009 -6.530 -8.710 1.00 43.11 O ATOM 0 H SER A 7 8.393 -7.165 -8.467 1.00 14.32 H new ATOM 0 HA SER A 7 6.905 -9.487 -7.398 1.00 5.22 H new ATOM 0 HB2 SER A 7 4.906 -8.213 -8.259 1.00 2.44 H new ATOM 0 HB3 SER A 7 5.735 -7.479 -6.900 1.00 2.44 H new ATOM 0 HG SER A 7 5.242 -5.937 -8.565 1.00 43.11 H new ATOM 89 N GLY A 8 8.101 -9.291 -10.205 1.00 54.43 N ATOM 90 CA GLY A 8 8.204 -9.846 -11.544 1.00 32.30 C ATOM 91 C GLY A 8 7.043 -9.377 -12.424 1.00 4.44 C ATOM 92 O GLY A 8 6.434 -10.176 -13.133 1.00 4.10 O ATOM 0 H GLY A 8 8.966 -8.891 -9.841 1.00 54.43 H new ATOM 0 HA2 GLY A 8 9.150 -9.546 -11.994 1.00 32.30 H new ATOM 0 HA3 GLY A 8 8.208 -10.935 -11.491 1.00 32.30 H new ATOM 96 N SER A 9 6.772 -8.082 -12.349 1.00 2.15 N ATOM 97 CA SER A 9 5.696 -7.496 -13.129 1.00 74.21 C ATOM 98 C SER A 9 6.083 -7.458 -14.609 1.00 1.22 C ATOM 99 O SER A 9 7.149 -7.942 -14.988 1.00 14.41 O ATOM 100 CB SER A 9 5.358 -6.089 -12.632 1.00 74.23 C ATOM 101 OG SER A 9 6.437 -5.180 -12.830 1.00 55.42 O ATOM 0 H SER A 9 7.280 -7.422 -11.760 1.00 2.15 H new ATOM 0 HA SER A 9 4.809 -8.117 -13.008 1.00 74.21 H new ATOM 0 HB2 SER A 9 4.474 -5.722 -13.155 1.00 74.23 H new ATOM 0 HB3 SER A 9 5.108 -6.129 -11.572 1.00 74.23 H new ATOM 0 HG SER A 9 6.182 -4.293 -12.502 1.00 55.42 H new ATOM 107 N SER A 10 5.197 -6.878 -15.405 1.00 12.13 N ATOM 108 CA SER A 10 5.433 -6.770 -16.834 1.00 74.04 C ATOM 109 C SER A 10 6.437 -5.651 -17.116 1.00 42.11 C ATOM 110 O SER A 10 6.289 -4.538 -16.614 1.00 2.03 O ATOM 111 CB SER A 10 4.127 -6.514 -17.590 1.00 62.11 C ATOM 112 OG SER A 10 3.105 -7.434 -17.217 1.00 30.03 O ATOM 0 H SER A 10 4.314 -6.478 -15.087 1.00 12.13 H new ATOM 0 HA SER A 10 5.845 -7.716 -17.185 1.00 74.04 H new ATOM 0 HB2 SER A 10 3.788 -5.497 -17.394 1.00 62.11 H new ATOM 0 HB3 SER A 10 4.308 -6.589 -18.662 1.00 62.11 H new ATOM 0 HG SER A 10 2.287 -7.236 -17.720 1.00 30.03 H new ATOM 118 N LEU A 11 7.437 -5.985 -17.919 1.00 10.03 N ATOM 119 CA LEU A 11 8.466 -5.022 -18.273 1.00 72.13 C ATOM 120 C LEU A 11 9.123 -4.491 -16.998 1.00 14.04 C ATOM 121 O LEU A 11 8.566 -4.619 -15.909 1.00 34.44 O ATOM 122 CB LEU A 11 7.887 -3.925 -19.170 1.00 22.44 C ATOM 123 CG LEU A 11 7.774 -4.265 -20.657 1.00 44.13 C ATOM 124 CD1 LEU A 11 6.315 -4.487 -21.060 1.00 2.42 C ATOM 125 CD2 LEU A 11 8.450 -3.194 -21.517 1.00 32.43 C ATOM 0 H LEU A 11 7.556 -6.909 -18.334 1.00 10.03 H new ATOM 0 HA LEU A 11 9.250 -5.501 -18.859 1.00 72.13 H new ATOM 0 HB2 LEU A 11 6.895 -3.667 -18.800 1.00 22.44 H new ATOM 0 HB3 LEU A 11 8.507 -3.034 -19.067 1.00 22.44 H new ATOM 0 HG LEU A 11 8.302 -5.202 -20.834 1.00 44.13 H new ATOM 0 HD11 LEU A 11 6.263 -4.727 -22.122 1.00 2.42 H new ATOM 0 HD12 LEU A 11 5.899 -5.311 -20.481 1.00 2.42 H new ATOM 0 HD13 LEU A 11 5.742 -3.581 -20.865 1.00 2.42 H new ATOM 0 HD21 LEU A 11 8.355 -3.460 -22.570 1.00 32.43 H new ATOM 0 HD22 LEU A 11 7.971 -2.231 -21.341 1.00 32.43 H new ATOM 0 HD23 LEU A 11 9.505 -3.128 -21.253 1.00 32.43 H new ATOM 137 N PRO A 12 10.329 -3.890 -17.180 1.00 10.04 N ATOM 138 CA PRO A 12 11.068 -3.339 -16.056 1.00 54.13 C ATOM 139 C PRO A 12 10.445 -2.024 -15.583 1.00 0.12 C ATOM 140 O PRO A 12 9.293 -1.730 -15.898 1.00 10.45 O ATOM 141 CB PRO A 12 12.491 -3.173 -16.564 1.00 74.43 C ATOM 142 CG PRO A 12 12.397 -3.198 -18.081 1.00 62.53 C ATOM 143 CD PRO A 12 11.019 -3.720 -18.455 1.00 2.21 C ATOM 0 HA PRO A 12 11.045 -3.986 -15.179 1.00 54.13 H new ATOM 0 HB2 PRO A 12 12.924 -2.235 -16.215 1.00 74.43 H new ATOM 0 HB3 PRO A 12 13.132 -3.975 -16.199 1.00 74.43 H new ATOM 0 HG2 PRO A 12 12.550 -2.199 -18.489 1.00 62.53 H new ATOM 0 HG3 PRO A 12 13.174 -3.837 -18.501 1.00 62.53 H new ATOM 0 HD2 PRO A 12 10.491 -3.018 -19.100 1.00 2.21 H new ATOM 0 HD3 PRO A 12 11.086 -4.663 -18.998 1.00 2.21 H new ATOM 151 N LEU A 13 11.235 -1.268 -14.834 1.00 72.11 N ATOM 152 CA LEU A 13 10.776 0.009 -14.314 1.00 74.32 C ATOM 153 C LEU A 13 11.548 1.140 -14.996 1.00 71.43 C ATOM 154 O LEU A 13 11.030 2.245 -15.150 1.00 63.24 O ATOM 155 CB LEU A 13 10.872 0.031 -12.787 1.00 43.54 C ATOM 156 CG LEU A 13 12.006 -0.793 -12.175 1.00 30.52 C ATOM 157 CD1 LEU A 13 11.773 -2.290 -12.390 1.00 62.12 C ATOM 158 CD2 LEU A 13 13.365 -0.342 -12.712 1.00 43.43 C ATOM 0 H LEU A 13 12.190 -1.516 -14.575 1.00 72.11 H new ATOM 0 HA LEU A 13 9.721 0.158 -14.546 1.00 74.32 H new ATOM 0 HB2 LEU A 13 10.987 1.066 -12.465 1.00 43.54 H new ATOM 0 HB3 LEU A 13 9.927 -0.327 -12.378 1.00 43.54 H new ATOM 0 HG LEU A 13 12.012 -0.618 -11.099 1.00 30.52 H new ATOM 0 HD11 LEU A 13 12.593 -2.853 -11.946 1.00 62.12 H new ATOM 0 HD12 LEU A 13 10.835 -2.583 -11.920 1.00 62.12 H new ATOM 0 HD13 LEU A 13 11.725 -2.501 -13.458 1.00 62.12 H new ATOM 0 HD21 LEU A 13 14.153 -0.945 -12.260 1.00 43.43 H new ATOM 0 HD22 LEU A 13 13.388 -0.467 -13.795 1.00 43.43 H new ATOM 0 HD23 LEU A 13 13.524 0.708 -12.465 1.00 43.43 H new ATOM 170 N PHE A 14 12.774 0.824 -15.387 1.00 1.32 N ATOM 171 CA PHE A 14 13.623 1.800 -16.049 1.00 11.21 C ATOM 172 C PHE A 14 14.809 1.119 -16.736 1.00 15.42 C ATOM 173 O PHE A 14 15.161 -0.010 -16.399 1.00 1.33 O ATOM 174 CB PHE A 14 14.149 2.743 -14.965 1.00 44.33 C ATOM 175 CG PHE A 14 15.427 3.489 -15.356 1.00 61.33 C ATOM 176 CD1 PHE A 14 16.637 2.885 -15.213 1.00 4.23 C ATOM 177 CD2 PHE A 14 15.352 4.755 -15.847 1.00 65.24 C ATOM 178 CE1 PHE A 14 17.823 3.577 -15.576 1.00 22.04 C ATOM 179 CE2 PHE A 14 16.538 5.446 -16.210 1.00 43.53 C ATOM 180 CZ PHE A 14 17.749 4.843 -16.067 1.00 14.12 C ATOM 0 H PHE A 14 13.200 -0.094 -15.258 1.00 1.32 H new ATOM 0 HA PHE A 14 13.054 2.333 -16.811 1.00 11.21 H new ATOM 0 HB2 PHE A 14 13.375 3.471 -14.724 1.00 44.33 H new ATOM 0 HB3 PHE A 14 14.339 2.168 -14.059 1.00 44.33 H new ATOM 0 HD1 PHE A 14 16.696 1.879 -14.824 1.00 4.23 H new ATOM 0 HD2 PHE A 14 14.391 5.234 -15.961 1.00 65.24 H new ATOM 0 HE1 PHE A 14 18.784 3.098 -15.462 1.00 22.04 H new ATOM 0 HE2 PHE A 14 16.479 6.451 -16.600 1.00 43.53 H new ATOM 0 HZ PHE A 14 18.651 5.369 -16.343 1.00 14.12 H new ATOM 190 N ASP A 15 15.391 1.835 -17.687 1.00 20.13 N ATOM 191 CA ASP A 15 16.530 1.314 -18.424 1.00 34.01 C ATOM 192 C ASP A 15 17.667 2.337 -18.388 1.00 14.14 C ATOM 193 O ASP A 15 17.546 3.424 -18.950 1.00 2.41 O ATOM 194 CB ASP A 15 16.168 1.061 -19.889 1.00 21.22 C ATOM 195 CG ASP A 15 16.975 -0.045 -20.572 1.00 70.02 C ATOM 196 OD1 ASP A 15 18.020 -0.479 -20.065 1.00 71.53 O ATOM 197 OD2 ASP A 15 16.484 -0.469 -21.687 1.00 55.21 O ATOM 0 H ASP A 15 15.095 2.771 -17.964 1.00 20.13 H new ATOM 0 HA ASP A 15 16.832 0.375 -17.959 1.00 34.01 H new ATOM 0 HB2 ASP A 15 15.110 0.807 -19.948 1.00 21.22 H new ATOM 0 HB3 ASP A 15 16.305 1.987 -20.447 1.00 21.22 H new ATOM 203 N CYS A 16 18.745 1.953 -17.720 1.00 73.45 N ATOM 204 CA CYS A 16 19.902 2.823 -17.603 1.00 64.14 C ATOM 205 C CYS A 16 20.510 3.004 -18.996 1.00 13.31 C ATOM 206 O CYS A 16 20.584 2.054 -19.773 1.00 54.14 O ATOM 207 CB CYS A 16 20.922 2.276 -16.603 1.00 24.13 C ATOM 208 SG CYS A 16 21.868 0.904 -17.359 1.00 72.05 S ATOM 0 H CYS A 16 18.841 1.051 -17.254 1.00 73.45 H new ATOM 0 HA CYS A 16 19.593 3.793 -17.213 1.00 64.14 H new ATOM 0 HB2 CYS A 16 21.602 3.070 -16.294 1.00 24.13 H new ATOM 0 HB3 CYS A 16 20.412 1.926 -15.706 1.00 24.13 H new ATOM 0 HG CYS A 16 21.584 0.828 -18.625 1.00 72.05 H new ATOM 214 N PRO A 17 20.940 4.264 -19.276 1.00 22.34 N ATOM 215 CA PRO A 17 21.539 4.582 -20.561 1.00 32.12 C ATOM 216 C PRO A 17 22.966 4.037 -20.651 1.00 74.22 C ATOM 217 O PRO A 17 23.348 3.157 -19.881 1.00 11.42 O ATOM 218 CB PRO A 17 21.474 6.097 -20.660 1.00 43.24 C ATOM 219 CG PRO A 17 21.271 6.600 -19.240 1.00 54.05 C ATOM 220 CD PRO A 17 20.869 5.414 -18.379 1.00 71.11 C ATOM 0 HA PRO A 17 21.014 4.118 -21.396 1.00 32.12 H new ATOM 0 HB2 PRO A 17 22.391 6.500 -21.089 1.00 43.24 H new ATOM 0 HB3 PRO A 17 20.655 6.411 -21.306 1.00 43.24 H new ATOM 0 HG2 PRO A 17 22.187 7.054 -18.861 1.00 54.05 H new ATOM 0 HG3 PRO A 17 20.499 7.370 -19.214 1.00 54.05 H new ATOM 0 HD2 PRO A 17 21.541 5.296 -17.529 1.00 71.11 H new ATOM 0 HD3 PRO A 17 19.864 5.540 -17.975 1.00 71.11 H new ATOM 228 N THR A 18 23.714 4.582 -21.599 1.00 22.13 N ATOM 229 CA THR A 18 25.090 4.161 -21.800 1.00 5.43 C ATOM 230 C THR A 18 26.052 5.298 -21.448 1.00 1.11 C ATOM 231 O THR A 18 27.269 5.126 -21.503 1.00 12.13 O ATOM 232 CB THR A 18 25.229 3.673 -23.243 1.00 25.42 C ATOM 233 OG1 THR A 18 26.437 2.915 -23.238 1.00 55.20 O ATOM 234 CG2 THR A 18 25.509 4.813 -24.223 1.00 44.52 C ATOM 0 H THR A 18 23.393 5.311 -22.236 1.00 22.13 H new ATOM 0 HA THR A 18 25.353 3.337 -21.136 1.00 5.43 H new ATOM 0 HB THR A 18 24.317 3.155 -23.540 1.00 25.42 H new ATOM 0 HG1 THR A 18 27.100 3.361 -22.671 1.00 55.20 H new ATOM 0 HG21 THR A 18 25.599 4.411 -25.232 1.00 44.52 H new ATOM 0 HG22 THR A 18 24.690 5.531 -24.190 1.00 44.52 H new ATOM 0 HG23 THR A 18 26.439 5.310 -23.947 1.00 44.52 H new ATOM 242 N TRP A 19 25.470 6.435 -21.094 1.00 60.43 N ATOM 243 CA TRP A 19 26.260 7.599 -20.734 1.00 1.55 C ATOM 244 C TRP A 19 26.397 7.625 -19.210 1.00 32.42 C ATOM 245 O TRP A 19 27.085 8.482 -18.659 1.00 3.22 O ATOM 246 CB TRP A 19 25.641 8.879 -21.299 1.00 75.23 C ATOM 247 CG TRP A 19 24.112 8.855 -21.363 1.00 20.24 C ATOM 248 CD1 TRP A 19 23.334 8.347 -22.328 1.00 61.23 C ATOM 249 CD2 TRP A 19 23.202 9.385 -20.375 1.00 62.54 C ATOM 250 NE1 TRP A 19 21.995 8.510 -22.037 1.00 70.21 N ATOM 251 CE2 TRP A 19 21.912 9.161 -20.812 1.00 23.23 C ATOM 252 CE3 TRP A 19 23.461 10.031 -19.154 1.00 53.31 C ATOM 253 CZ2 TRP A 19 20.780 9.552 -20.088 1.00 55.11 C ATOM 254 CZ3 TRP A 19 22.318 10.416 -18.443 1.00 11.23 C ATOM 255 CH2 TRP A 19 21.013 10.198 -18.868 1.00 53.43 C ATOM 0 H TRP A 19 24.461 6.574 -21.049 1.00 60.43 H new ATOM 0 HA TRP A 19 27.256 7.539 -21.173 1.00 1.55 H new ATOM 0 HB2 TRP A 19 25.956 9.724 -20.686 1.00 75.23 H new ATOM 0 HB3 TRP A 19 26.034 9.049 -22.302 1.00 75.23 H new ATOM 0 HD1 TRP A 19 23.708 7.870 -23.222 1.00 61.23 H new ATOM 0 HE1 TRP A 19 21.210 8.208 -22.615 1.00 70.21 H new ATOM 0 HE3 TRP A 19 24.462 10.216 -18.793 1.00 53.31 H new ATOM 0 HZ2 TRP A 19 19.780 9.365 -20.451 1.00 55.11 H new ATOM 0 HZ3 TRP A 19 22.461 10.918 -17.497 1.00 11.23 H new ATOM 0 HH2 TRP A 19 20.183 10.525 -18.260 1.00 53.43 H new ATOM 266 N ALA A 20 25.730 6.674 -18.572 1.00 60.21 N ATOM 267 CA ALA A 20 25.768 6.576 -17.123 1.00 4.01 C ATOM 268 C ALA A 20 27.096 5.948 -16.693 1.00 73.44 C ATOM 269 O ALA A 20 27.620 5.068 -17.376 1.00 12.45 O ATOM 270 CB ALA A 20 24.559 5.777 -16.633 1.00 23.22 C ATOM 0 H ALA A 20 25.160 5.964 -19.032 1.00 60.21 H new ATOM 0 HA ALA A 20 25.710 7.566 -16.670 1.00 4.01 H new ATOM 0 HB1 ALA A 20 24.588 5.704 -15.546 1.00 23.22 H new ATOM 0 HB2 ALA A 20 23.642 6.281 -16.939 1.00 23.22 H new ATOM 0 HB3 ALA A 20 24.585 4.777 -17.065 1.00 23.22 H new ATOM 276 N GLY A 21 27.601 6.423 -15.565 1.00 2.21 N ATOM 277 CA GLY A 21 28.857 5.919 -15.036 1.00 63.04 C ATOM 278 C GLY A 21 28.743 5.623 -13.540 1.00 31.24 C ATOM 279 O GLY A 21 27.907 4.821 -13.124 1.00 5.52 O ATOM 0 H GLY A 21 27.163 7.152 -15.002 1.00 2.21 H new ATOM 0 HA2 GLY A 21 29.142 5.012 -15.569 1.00 63.04 H new ATOM 0 HA3 GLY A 21 29.647 6.650 -15.206 1.00 63.04 H new ATOM 283 N LYS A 22 29.595 6.285 -12.771 1.00 53.51 N ATOM 284 CA LYS A 22 29.600 6.103 -11.329 1.00 52.35 C ATOM 285 C LYS A 22 29.910 7.440 -10.652 1.00 62.40 C ATOM 286 O LYS A 22 30.983 8.007 -10.853 1.00 13.20 O ATOM 287 CB LYS A 22 30.557 4.977 -10.935 1.00 61.21 C ATOM 288 CG LYS A 22 29.788 3.757 -10.424 1.00 54.10 C ATOM 289 CD LYS A 22 29.440 2.808 -11.572 1.00 74.33 C ATOM 290 CE LYS A 22 30.453 1.665 -11.665 1.00 40.33 C ATOM 291 NZ LYS A 22 30.144 0.616 -10.668 1.00 43.11 N ATOM 0 H LYS A 22 30.287 6.948 -13.119 1.00 53.51 H new ATOM 0 HA LYS A 22 28.616 5.790 -10.980 1.00 52.35 H new ATOM 0 HB2 LYS A 22 31.165 4.694 -11.794 1.00 61.21 H new ATOM 0 HB3 LYS A 22 31.241 5.330 -10.163 1.00 61.21 H new ATOM 0 HG2 LYS A 22 30.387 3.230 -9.681 1.00 54.10 H new ATOM 0 HG3 LYS A 22 28.874 4.081 -9.926 1.00 54.10 H new ATOM 0 HD2 LYS A 22 28.440 2.401 -11.422 1.00 74.33 H new ATOM 0 HD3 LYS A 22 29.422 3.360 -12.512 1.00 74.33 H new ATOM 0 HE2 LYS A 22 30.437 1.238 -12.668 1.00 40.33 H new ATOM 0 HE3 LYS A 22 31.459 2.049 -11.498 1.00 40.33 H new ATOM 0 HZ1 LYS A 22 30.841 -0.152 -10.745 1.00 43.11 H new ATOM 0 HZ2 LYS A 22 30.182 1.024 -9.712 1.00 43.11 H new ATOM 0 HZ3 LYS A 22 29.192 0.238 -10.846 1.00 43.11 H new ATOM 304 N PRO A 23 28.927 7.916 -9.842 1.00 73.43 N ATOM 305 CA PRO A 23 29.084 9.174 -9.134 1.00 2.40 C ATOM 306 C PRO A 23 30.035 9.020 -7.946 1.00 24.34 C ATOM 307 O PRO A 23 30.057 7.976 -7.295 1.00 13.34 O ATOM 308 CB PRO A 23 27.677 9.572 -8.720 1.00 74.14 C ATOM 309 CG PRO A 23 26.844 8.303 -8.802 1.00 60.24 C ATOM 310 CD PRO A 23 27.643 7.270 -9.580 1.00 44.45 C ATOM 0 HA PRO A 23 29.537 9.949 -9.752 1.00 2.40 H new ATOM 0 HB2 PRO A 23 27.668 9.981 -7.709 1.00 74.14 H new ATOM 0 HB3 PRO A 23 27.279 10.344 -9.379 1.00 74.14 H new ATOM 0 HG2 PRO A 23 26.612 7.933 -7.803 1.00 60.24 H new ATOM 0 HG3 PRO A 23 25.893 8.502 -9.297 1.00 60.24 H new ATOM 0 HD2 PRO A 23 27.771 6.353 -9.005 1.00 44.45 H new ATOM 0 HD3 PRO A 23 27.140 6.997 -10.508 1.00 44.45 H new ATOM 318 N PRO A 24 30.819 10.102 -7.692 1.00 64.33 N ATOM 319 CA PRO A 24 31.770 10.096 -6.594 1.00 3.33 C ATOM 320 C PRO A 24 31.056 10.256 -5.250 1.00 24.52 C ATOM 321 O PRO A 24 29.921 10.725 -5.198 1.00 33.21 O ATOM 322 CB PRO A 24 32.728 11.237 -6.897 1.00 11.15 C ATOM 323 CG PRO A 24 32.011 12.128 -7.898 1.00 64.14 C ATOM 324 CD PRO A 24 30.821 11.354 -8.442 1.00 44.43 C ATOM 0 HA PRO A 24 32.309 9.153 -6.510 1.00 3.33 H new ATOM 0 HB2 PRO A 24 32.977 11.789 -5.991 1.00 11.15 H new ATOM 0 HB3 PRO A 24 33.665 10.862 -7.309 1.00 11.15 H new ATOM 0 HG2 PRO A 24 31.680 13.050 -7.420 1.00 64.14 H new ATOM 0 HG3 PRO A 24 32.684 12.412 -8.707 1.00 64.14 H new ATOM 0 HD2 PRO A 24 29.891 11.904 -8.297 1.00 44.43 H new ATOM 0 HD3 PRO A 24 30.921 11.174 -9.512 1.00 44.43 H new ATOM 332 N PRO A 25 31.771 9.845 -4.168 1.00 15.35 N ATOM 333 CA PRO A 25 31.218 9.938 -2.827 1.00 74.11 C ATOM 334 C PRO A 25 31.227 11.384 -2.329 1.00 3.44 C ATOM 335 O PRO A 25 32.024 11.741 -1.462 1.00 30.43 O ATOM 336 CB PRO A 25 32.078 9.012 -1.982 1.00 15.41 C ATOM 337 CG PRO A 25 33.358 8.797 -2.772 1.00 23.23 C ATOM 338 CD PRO A 25 33.118 9.284 -4.191 1.00 43.51 C ATOM 0 HA PRO A 25 30.171 9.638 -2.782 1.00 74.11 H new ATOM 0 HB2 PRO A 25 32.289 9.455 -1.009 1.00 15.41 H new ATOM 0 HB3 PRO A 25 31.569 8.066 -1.798 1.00 15.41 H new ATOM 0 HG2 PRO A 25 34.184 9.343 -2.316 1.00 23.23 H new ATOM 0 HG3 PRO A 25 33.634 7.742 -2.772 1.00 23.23 H new ATOM 0 HD2 PRO A 25 33.854 10.033 -4.482 1.00 43.51 H new ATOM 0 HD3 PRO A 25 33.194 8.467 -4.908 1.00 43.51 H new ATOM 346 N GLY A 26 30.333 12.179 -2.898 1.00 32.22 N ATOM 347 CA GLY A 26 30.228 13.579 -2.522 1.00 22.51 C ATOM 348 C GLY A 26 29.020 14.237 -3.190 1.00 75.12 C ATOM 349 O GLY A 26 29.050 15.426 -3.503 1.00 11.23 O ATOM 0 H GLY A 26 29.674 11.880 -3.617 1.00 32.22 H new ATOM 0 HA2 GLY A 26 30.139 13.663 -1.439 1.00 22.51 H new ATOM 0 HA3 GLY A 26 31.138 14.106 -2.809 1.00 22.51 H new ATOM 353 N LEU A 27 27.984 13.435 -3.390 1.00 21.24 N ATOM 354 CA LEU A 27 26.767 13.925 -4.015 1.00 64.30 C ATOM 355 C LEU A 27 25.563 13.526 -3.160 1.00 22.14 C ATOM 356 O LEU A 27 25.661 12.630 -2.323 1.00 21.41 O ATOM 357 CB LEU A 27 26.679 13.443 -5.464 1.00 73.05 C ATOM 358 CG LEU A 27 27.893 13.741 -6.346 1.00 24.12 C ATOM 359 CD1 LEU A 27 27.826 12.955 -7.657 1.00 15.12 C ATOM 360 CD2 LEU A 27 28.041 15.245 -6.586 1.00 21.31 C ATOM 0 H LEU A 27 27.963 12.449 -3.130 1.00 21.24 H new ATOM 0 HA LEU A 27 26.776 15.014 -4.065 1.00 64.30 H new ATOM 0 HB2 LEU A 27 26.515 12.365 -5.458 1.00 73.05 H new ATOM 0 HB3 LEU A 27 25.801 13.896 -5.924 1.00 73.05 H new ATOM 0 HG LEU A 27 28.787 13.410 -5.818 1.00 24.12 H new ATOM 0 HD11 LEU A 27 28.701 13.186 -8.265 1.00 15.12 H new ATOM 0 HD12 LEU A 27 27.806 11.887 -7.440 1.00 15.12 H new ATOM 0 HD13 LEU A 27 26.923 13.232 -8.201 1.00 15.12 H new ATOM 0 HD21 LEU A 27 28.911 15.429 -7.216 1.00 21.31 H new ATOM 0 HD22 LEU A 27 27.148 15.624 -7.082 1.00 21.31 H new ATOM 0 HD23 LEU A 27 28.170 15.755 -5.631 1.00 21.31 H new ATOM 372 N HIS A 28 24.455 14.211 -3.399 1.00 52.02 N ATOM 373 CA HIS A 28 23.233 13.940 -2.661 1.00 71.42 C ATOM 374 C HIS A 28 22.096 14.801 -3.216 1.00 24.24 C ATOM 375 O HIS A 28 22.325 15.924 -3.663 1.00 71.53 O ATOM 376 CB HIS A 28 23.449 14.139 -1.160 1.00 25.42 C ATOM 377 CG HIS A 28 23.626 15.581 -0.751 1.00 3.52 C ATOM 378 ND1 HIS A 28 24.738 16.329 -1.099 1.00 70.41 N ATOM 379 CD2 HIS A 28 22.821 16.406 -0.021 1.00 4.01 C ATOM 380 CE1 HIS A 28 24.598 17.546 -0.595 1.00 43.04 C ATOM 381 NE2 HIS A 28 23.410 17.592 0.073 1.00 62.21 N ATOM 0 H HIS A 28 24.378 14.954 -4.094 1.00 52.02 H new ATOM 0 HA HIS A 28 22.949 12.896 -2.793 1.00 71.42 H new ATOM 0 HB2 HIS A 28 22.598 13.721 -0.622 1.00 25.42 H new ATOM 0 HB3 HIS A 28 24.329 13.574 -0.852 1.00 25.42 H new ATOM 0 HD2 HIS A 28 21.866 16.139 0.408 1.00 4.01 H new ATOM 0 HE1 HIS A 28 25.301 18.359 -0.696 1.00 43.04 H new ATOM 0 HE2 HIS A 28 23.036 18.404 0.564 1.00 62.21 H new ATOM 389 N LEU A 29 20.896 14.242 -3.168 1.00 0.13 N ATOM 390 CA LEU A 29 19.723 14.945 -3.660 1.00 22.14 C ATOM 391 C LEU A 29 19.100 15.750 -2.517 1.00 61.14 C ATOM 392 O LEU A 29 19.662 15.823 -1.426 1.00 4.21 O ATOM 393 CB LEU A 29 18.752 13.967 -4.324 1.00 20.11 C ATOM 394 CG LEU A 29 18.707 14.001 -5.853 1.00 20.11 C ATOM 395 CD1 LEU A 29 17.560 13.141 -6.387 1.00 31.11 C ATOM 396 CD2 LEU A 29 18.632 15.440 -6.367 1.00 61.14 C ATOM 0 H LEU A 29 20.710 13.311 -2.796 1.00 0.13 H new ATOM 0 HA LEU A 29 20.003 15.657 -4.437 1.00 22.14 H new ATOM 0 HB2 LEU A 29 19.014 12.957 -4.010 1.00 20.11 H new ATOM 0 HB3 LEU A 29 17.750 14.168 -3.946 1.00 20.11 H new ATOM 0 HG LEU A 29 19.634 13.572 -6.232 1.00 20.11 H new ATOM 0 HD11 LEU A 29 17.551 13.183 -7.476 1.00 31.11 H new ATOM 0 HD12 LEU A 29 17.698 12.109 -6.065 1.00 31.11 H new ATOM 0 HD13 LEU A 29 16.613 13.518 -6.001 1.00 31.11 H new ATOM 0 HD21 LEU A 29 18.601 15.436 -7.457 1.00 61.14 H new ATOM 0 HD22 LEU A 29 17.732 15.918 -5.980 1.00 61.14 H new ATOM 0 HD23 LEU A 29 19.509 15.993 -6.031 1.00 61.14 H new ATOM 408 N ASP A 30 17.947 16.334 -2.808 1.00 72.31 N ATOM 409 CA ASP A 30 17.241 17.131 -1.819 1.00 22.30 C ATOM 410 C ASP A 30 15.809 17.379 -2.297 1.00 62.44 C ATOM 411 O ASP A 30 15.477 17.094 -3.447 1.00 31.21 O ATOM 412 CB ASP A 30 17.916 18.490 -1.623 1.00 62.34 C ATOM 413 CG ASP A 30 19.439 18.441 -1.486 1.00 2.40 C ATOM 414 OD1 ASP A 30 20.157 18.120 -2.445 1.00 1.33 O ATOM 415 OD2 ASP A 30 19.892 18.755 -0.319 1.00 54.23 O ATOM 0 H ASP A 30 17.484 16.271 -3.715 1.00 72.31 H new ATOM 0 HA ASP A 30 17.251 16.584 -0.876 1.00 22.30 H new ATOM 0 HB2 ASP A 30 17.663 19.130 -2.468 1.00 62.34 H new ATOM 0 HB3 ASP A 30 17.501 18.960 -0.731 1.00 62.34 H new ATOM 421 N VAL A 31 15.000 17.907 -1.391 1.00 74.33 N ATOM 422 CA VAL A 31 13.611 18.196 -1.706 1.00 40.23 C ATOM 423 C VAL A 31 13.186 19.478 -0.987 1.00 32.32 C ATOM 424 O VAL A 31 13.589 19.719 0.150 1.00 30.40 O ATOM 425 CB VAL A 31 12.733 16.994 -1.355 1.00 31.44 C ATOM 426 CG1 VAL A 31 11.254 17.309 -1.584 1.00 15.33 C ATOM 427 CG2 VAL A 31 13.158 15.754 -2.145 1.00 1.51 C ATOM 0 H VAL A 31 15.279 18.142 -0.439 1.00 74.33 H new ATOM 0 HA VAL A 31 13.490 18.368 -2.776 1.00 40.23 H new ATOM 0 HB VAL A 31 12.869 16.779 -0.295 1.00 31.44 H new ATOM 0 HG11 VAL A 31 10.652 16.437 -1.327 1.00 15.33 H new ATOM 0 HG12 VAL A 31 10.960 18.151 -0.957 1.00 15.33 H new ATOM 0 HG13 VAL A 31 11.094 17.564 -2.632 1.00 15.33 H new ATOM 0 HG21 VAL A 31 12.517 14.914 -1.876 1.00 1.51 H new ATOM 0 HG22 VAL A 31 13.066 15.954 -3.213 1.00 1.51 H new ATOM 0 HG23 VAL A 31 14.194 15.510 -1.910 1.00 1.51 H new ATOM 437 N VAL A 32 12.377 20.266 -1.679 1.00 13.31 N ATOM 438 CA VAL A 32 11.892 21.517 -1.120 1.00 44.22 C ATOM 439 C VAL A 32 10.424 21.709 -1.506 1.00 64.42 C ATOM 440 O VAL A 32 10.050 21.499 -2.659 1.00 15.31 O ATOM 441 CB VAL A 32 12.786 22.674 -1.574 1.00 74.40 C ATOM 442 CG1 VAL A 32 12.733 23.832 -0.576 1.00 33.44 C ATOM 443 CG2 VAL A 32 14.225 22.202 -1.791 1.00 52.03 C ATOM 0 H VAL A 32 12.045 20.063 -2.622 1.00 13.31 H new ATOM 0 HA VAL A 32 11.941 21.493 -0.031 1.00 44.22 H new ATOM 0 HB VAL A 32 12.405 23.037 -2.529 1.00 74.40 H new ATOM 0 HG11 VAL A 32 13.377 24.641 -0.922 1.00 33.44 H new ATOM 0 HG12 VAL A 32 11.708 24.194 -0.493 1.00 33.44 H new ATOM 0 HG13 VAL A 32 13.076 23.488 0.400 1.00 33.44 H new ATOM 0 HG21 VAL A 32 14.839 23.043 -2.113 1.00 52.03 H new ATOM 0 HG22 VAL A 32 14.621 21.800 -0.858 1.00 52.03 H new ATOM 0 HG23 VAL A 32 14.242 21.426 -2.557 1.00 52.03 H new ATOM 453 N LYS A 33 9.633 22.104 -0.520 1.00 1.20 N ATOM 454 CA LYS A 33 8.214 22.326 -0.742 1.00 3.21 C ATOM 455 C LYS A 33 8.009 23.712 -1.356 1.00 44.51 C ATOM 456 O LYS A 33 6.935 24.013 -1.874 1.00 0.31 O ATOM 457 CB LYS A 33 7.428 22.105 0.552 1.00 65.50 C ATOM 458 CG LYS A 33 7.548 23.315 1.480 1.00 20.13 C ATOM 459 CD LYS A 33 7.133 22.954 2.908 1.00 20.10 C ATOM 460 CE LYS A 33 5.626 23.135 3.103 1.00 23.53 C ATOM 461 NZ LYS A 33 5.223 22.697 4.459 1.00 43.34 N ATOM 0 H LYS A 33 9.947 22.276 0.435 1.00 1.20 H new ATOM 0 HA LYS A 33 7.822 21.600 -1.454 1.00 3.21 H new ATOM 0 HB2 LYS A 33 6.379 21.924 0.318 1.00 65.50 H new ATOM 0 HB3 LYS A 33 7.799 21.215 1.060 1.00 65.50 H new ATOM 0 HG2 LYS A 33 8.575 23.680 1.477 1.00 20.13 H new ATOM 0 HG3 LYS A 33 6.921 24.126 1.109 1.00 20.13 H new ATOM 0 HD2 LYS A 33 7.409 21.921 3.121 1.00 20.10 H new ATOM 0 HD3 LYS A 33 7.673 23.581 3.617 1.00 20.10 H new ATOM 0 HE2 LYS A 33 5.357 24.181 2.957 1.00 23.53 H new ATOM 0 HE3 LYS A 33 5.084 22.559 2.352 1.00 23.53 H new ATOM 0 HZ1 LYS A 33 4.198 22.826 4.575 1.00 43.34 H new ATOM 0 HZ2 LYS A 33 5.462 21.693 4.585 1.00 43.34 H new ATOM 0 HZ3 LYS A 33 5.726 23.264 5.171 1.00 43.34 H new ATOM 474 N GLY A 34 9.057 24.520 -1.278 1.00 70.20 N ATOM 475 CA GLY A 34 9.005 25.867 -1.820 1.00 5.12 C ATOM 476 C GLY A 34 10.258 26.659 -1.439 1.00 50.44 C ATOM 477 O GLY A 34 11.098 26.945 -2.291 1.00 3.52 O ATOM 0 H GLY A 34 9.947 24.267 -0.848 1.00 70.20 H new ATOM 0 HA2 GLY A 34 8.914 25.823 -2.905 1.00 5.12 H new ATOM 0 HA3 GLY A 34 8.119 26.380 -1.446 1.00 5.12 H new ATOM 481 N ASP A 35 10.343 26.991 -0.160 1.00 3.34 N ATOM 482 CA ASP A 35 11.479 27.745 0.344 1.00 20.10 C ATOM 483 C ASP A 35 11.962 27.117 1.653 1.00 12.43 C ATOM 484 O ASP A 35 12.567 27.793 2.484 1.00 52.52 O ATOM 485 CB ASP A 35 11.093 29.197 0.630 1.00 1.41 C ATOM 486 CG ASP A 35 10.928 30.079 -0.610 1.00 23.14 C ATOM 487 OD1 ASP A 35 9.833 30.589 -0.889 1.00 44.23 O ATOM 488 OD2 ASP A 35 11.998 30.236 -1.313 1.00 3.33 O ATOM 0 H ASP A 35 9.644 26.752 0.543 1.00 3.34 H new ATOM 0 HA ASP A 35 12.262 27.723 -0.414 1.00 20.10 H new ATOM 0 HB2 ASP A 35 10.158 29.205 1.190 1.00 1.41 H new ATOM 0 HB3 ASP A 35 11.854 29.639 1.273 1.00 1.41 H new ATOM 494 N LYS A 36 11.676 25.832 1.797 1.00 62.44 N ATOM 495 CA LYS A 36 12.074 25.105 2.991 1.00 53.33 C ATOM 496 C LYS A 36 12.407 23.660 2.616 1.00 73.31 C ATOM 497 O LYS A 36 11.583 22.962 2.025 1.00 4.42 O ATOM 498 CB LYS A 36 11.001 25.228 4.075 1.00 73.05 C ATOM 499 CG LYS A 36 11.026 24.018 5.011 1.00 70.14 C ATOM 500 CD LYS A 36 10.177 24.272 6.258 1.00 72.33 C ATOM 501 CE LYS A 36 8.765 23.709 6.083 1.00 13.03 C ATOM 502 NZ LYS A 36 8.092 23.580 7.396 1.00 45.14 N ATOM 0 H LYS A 36 11.173 25.275 1.106 1.00 62.44 H new ATOM 0 HA LYS A 36 12.978 25.540 3.418 1.00 53.33 H new ATOM 0 HB2 LYS A 36 11.162 26.140 4.650 1.00 73.05 H new ATOM 0 HB3 LYS A 36 10.018 25.313 3.611 1.00 73.05 H new ATOM 0 HG2 LYS A 36 10.653 23.139 4.485 1.00 70.14 H new ATOM 0 HG3 LYS A 36 12.053 23.802 5.304 1.00 70.14 H new ATOM 0 HD2 LYS A 36 10.651 23.812 7.125 1.00 72.33 H new ATOM 0 HD3 LYS A 36 10.124 25.343 6.454 1.00 72.33 H new ATOM 0 HE2 LYS A 36 8.184 24.363 5.433 1.00 13.03 H new ATOM 0 HE3 LYS A 36 8.813 22.735 5.595 1.00 13.03 H new ATOM 0 HZ1 LYS A 36 7.135 23.197 7.259 1.00 45.14 H new ATOM 0 HZ2 LYS A 36 8.639 22.938 8.005 1.00 45.14 H new ATOM 0 HZ3 LYS A 36 8.029 24.515 7.847 1.00 45.14 H new ATOM 515 N LEU A 37 13.615 23.253 2.975 1.00 63.53 N ATOM 516 CA LEU A 37 14.067 21.903 2.684 1.00 64.45 C ATOM 517 C LEU A 37 13.178 20.901 3.422 1.00 34.04 C ATOM 518 O LEU A 37 13.081 20.937 4.648 1.00 11.41 O ATOM 519 CB LEU A 37 15.556 21.755 3.003 1.00 3.55 C ATOM 520 CG LEU A 37 16.308 20.678 2.219 1.00 34.21 C ATOM 521 CD1 LEU A 37 15.784 19.283 2.566 1.00 65.52 C ATOM 522 CD2 LEU A 37 16.251 20.954 0.715 1.00 15.03 C ATOM 0 H LEU A 37 14.295 23.834 3.465 1.00 63.53 H new ATOM 0 HA LEU A 37 13.970 21.691 1.619 1.00 64.45 H new ATOM 0 HB2 LEU A 37 16.043 22.714 2.822 1.00 3.55 H new ATOM 0 HB3 LEU A 37 15.659 21.540 4.067 1.00 3.55 H new ATOM 0 HG LEU A 37 17.357 20.711 2.512 1.00 34.21 H new ATOM 0 HD11 LEU A 37 16.335 18.535 1.996 1.00 65.52 H new ATOM 0 HD12 LEU A 37 15.919 19.098 3.632 1.00 65.52 H new ATOM 0 HD13 LEU A 37 14.724 19.220 2.318 1.00 65.52 H new ATOM 0 HD21 LEU A 37 16.793 20.174 0.181 1.00 15.03 H new ATOM 0 HD22 LEU A 37 15.212 20.964 0.386 1.00 15.03 H new ATOM 0 HD23 LEU A 37 16.707 21.921 0.505 1.00 15.03 H new ATOM 534 N ILE A 38 12.550 20.030 2.646 1.00 64.03 N ATOM 535 CA ILE A 38 11.672 19.020 3.211 1.00 12.10 C ATOM 536 C ILE A 38 12.509 17.834 3.693 1.00 23.04 C ATOM 537 O ILE A 38 12.571 17.559 4.891 1.00 41.23 O ATOM 538 CB ILE A 38 10.582 18.636 2.208 1.00 31.03 C ATOM 539 CG1 ILE A 38 9.931 19.881 1.603 1.00 54.13 C ATOM 540 CG2 ILE A 38 9.551 17.704 2.849 1.00 43.10 C ATOM 541 CD1 ILE A 38 9.680 20.945 2.674 1.00 65.24 C ATOM 0 H ILE A 38 12.632 20.003 1.630 1.00 64.03 H new ATOM 0 HA ILE A 38 11.148 19.415 4.081 1.00 12.10 H new ATOM 0 HB ILE A 38 11.048 18.087 1.390 1.00 31.03 H new ATOM 0 HG12 ILE A 38 10.574 20.289 0.823 1.00 54.13 H new ATOM 0 HG13 ILE A 38 8.988 19.608 1.128 1.00 54.13 H new ATOM 0 HG21 ILE A 38 8.787 17.446 2.115 1.00 43.10 H new ATOM 0 HG22 ILE A 38 10.046 16.795 3.192 1.00 43.10 H new ATOM 0 HG23 ILE A 38 9.085 18.206 3.697 1.00 43.10 H new ATOM 0 HD11 ILE A 38 9.217 21.819 2.217 1.00 65.24 H new ATOM 0 HD12 ILE A 38 9.017 20.542 3.439 1.00 65.24 H new ATOM 0 HD13 ILE A 38 10.627 21.233 3.130 1.00 65.24 H new ATOM 553 N GLU A 39 13.133 17.163 2.736 1.00 21.13 N ATOM 554 CA GLU A 39 13.964 16.013 3.048 1.00 23.34 C ATOM 555 C GLU A 39 15.222 16.015 2.177 1.00 30.52 C ATOM 556 O GLU A 39 15.357 16.842 1.277 1.00 34.00 O ATOM 557 CB GLU A 39 13.182 14.709 2.879 1.00 30.21 C ATOM 558 CG GLU A 39 13.173 14.261 1.416 1.00 33.11 C ATOM 559 CD GLU A 39 12.281 13.032 1.224 1.00 1.45 C ATOM 560 OE1 GLU A 39 12.050 12.278 2.182 1.00 44.45 O ATOM 561 OE2 GLU A 39 11.820 12.874 0.030 1.00 2.20 O ATOM 0 H GLU A 39 13.080 17.394 1.744 1.00 21.13 H new ATOM 0 HA GLU A 39 14.269 16.082 4.092 1.00 23.34 H new ATOM 0 HB2 GLU A 39 13.627 13.931 3.499 1.00 30.21 H new ATOM 0 HB3 GLU A 39 12.158 14.847 3.227 1.00 30.21 H new ATOM 0 HG2 GLU A 39 12.817 15.075 0.785 1.00 33.11 H new ATOM 0 HG3 GLU A 39 14.189 14.031 1.096 1.00 33.11 H new ATOM 569 N LYS A 40 16.111 15.079 2.475 1.00 21.33 N ATOM 570 CA LYS A 40 17.353 14.962 1.730 1.00 23.05 C ATOM 571 C LYS A 40 17.532 13.514 1.269 1.00 2.23 C ATOM 572 O LYS A 40 17.061 12.587 1.926 1.00 25.03 O ATOM 573 CB LYS A 40 18.526 15.493 2.557 1.00 12.44 C ATOM 574 CG LYS A 40 19.555 16.190 1.665 1.00 52.32 C ATOM 575 CD LYS A 40 20.757 16.667 2.483 1.00 55.41 C ATOM 576 CE LYS A 40 20.305 17.312 3.795 1.00 23.42 C ATOM 577 NZ LYS A 40 21.470 17.839 4.541 1.00 51.53 N ATOM 0 H LYS A 40 15.996 14.394 3.222 1.00 21.33 H new ATOM 0 HA LYS A 40 17.319 15.581 0.833 1.00 23.05 H new ATOM 0 HB2 LYS A 40 18.159 16.192 3.309 1.00 12.44 H new ATOM 0 HB3 LYS A 40 19.001 14.670 3.091 1.00 12.44 H new ATOM 0 HG2 LYS A 40 19.890 15.505 0.886 1.00 52.32 H new ATOM 0 HG3 LYS A 40 19.091 17.040 1.164 1.00 52.32 H new ATOM 0 HD2 LYS A 40 21.415 15.824 2.695 1.00 55.41 H new ATOM 0 HD3 LYS A 40 21.336 17.384 1.901 1.00 55.41 H new ATOM 0 HE2 LYS A 40 19.603 18.120 3.587 1.00 23.42 H new ATOM 0 HE3 LYS A 40 19.777 16.579 4.404 1.00 23.42 H new ATOM 0 HZ1 LYS A 40 21.146 18.273 5.429 1.00 51.53 H new ATOM 0 HZ2 LYS A 40 22.126 17.061 4.755 1.00 51.53 H new ATOM 0 HZ3 LYS A 40 21.958 18.554 3.964 1.00 51.53 H new ATOM 590 N LEU A 41 18.214 13.366 0.143 1.00 72.51 N ATOM 591 CA LEU A 41 18.461 12.046 -0.414 1.00 12.32 C ATOM 592 C LEU A 41 19.903 11.973 -0.919 1.00 61.32 C ATOM 593 O LEU A 41 20.576 12.995 -1.037 1.00 43.30 O ATOM 594 CB LEU A 41 17.417 11.711 -1.481 1.00 42.33 C ATOM 595 CG LEU A 41 15.967 12.054 -1.133 1.00 3.02 C ATOM 596 CD1 LEU A 41 15.092 12.075 -2.387 1.00 42.25 C ATOM 597 CD2 LEU A 41 15.420 11.102 -0.068 1.00 34.21 C ATOM 0 H LEU A 41 18.603 14.138 -0.399 1.00 72.51 H new ATOM 0 HA LEU A 41 18.353 11.281 0.355 1.00 12.32 H new ATOM 0 HB2 LEU A 41 17.683 12.236 -2.399 1.00 42.33 H new ATOM 0 HB3 LEU A 41 17.475 10.644 -1.696 1.00 42.33 H new ATOM 0 HG LEU A 41 15.945 13.058 -0.710 1.00 3.02 H new ATOM 0 HD11 LEU A 41 14.067 12.321 -2.111 1.00 42.25 H new ATOM 0 HD12 LEU A 41 15.471 12.824 -3.082 1.00 42.25 H new ATOM 0 HD13 LEU A 41 15.114 11.094 -2.863 1.00 42.25 H new ATOM 0 HD21 LEU A 41 14.388 11.367 0.162 1.00 34.21 H new ATOM 0 HD22 LEU A 41 15.457 10.079 -0.441 1.00 34.21 H new ATOM 0 HD23 LEU A 41 16.024 11.181 0.836 1.00 34.21 H new ATOM 609 N ILE A 42 20.335 10.753 -1.204 1.00 72.04 N ATOM 610 CA ILE A 42 21.685 10.532 -1.694 1.00 51.55 C ATOM 611 C ILE A 42 21.625 10.071 -3.152 1.00 33.21 C ATOM 612 O ILE A 42 20.671 9.408 -3.558 1.00 44.10 O ATOM 613 CB ILE A 42 22.438 9.569 -0.775 1.00 0.22 C ATOM 614 CG1 ILE A 42 22.806 10.247 0.547 1.00 54.44 C ATOM 615 CG2 ILE A 42 23.664 8.984 -1.479 1.00 53.23 C ATOM 616 CD1 ILE A 42 21.559 10.786 1.252 1.00 43.13 C ATOM 0 H ILE A 42 19.774 9.907 -1.105 1.00 72.04 H new ATOM 0 HA ILE A 42 22.253 11.462 -1.677 1.00 51.55 H new ATOM 0 HB ILE A 42 21.776 8.737 -0.537 1.00 0.22 H new ATOM 0 HG12 ILE A 42 23.316 9.535 1.196 1.00 54.44 H new ATOM 0 HG13 ILE A 42 23.504 11.063 0.360 1.00 54.44 H new ATOM 0 HG21 ILE A 42 24.181 8.303 -0.803 1.00 53.23 H new ATOM 0 HG22 ILE A 42 23.348 8.441 -2.370 1.00 53.23 H new ATOM 0 HG23 ILE A 42 24.338 9.791 -1.766 1.00 53.23 H new ATOM 0 HD11 ILE A 42 21.848 11.263 2.189 1.00 43.13 H new ATOM 0 HD12 ILE A 42 21.065 11.516 0.610 1.00 43.13 H new ATOM 0 HD13 ILE A 42 20.874 9.964 1.460 1.00 43.13 H new ATOM 628 N ILE A 43 22.655 10.439 -3.899 1.00 10.30 N ATOM 629 CA ILE A 43 22.731 10.071 -5.303 1.00 3.34 C ATOM 630 C ILE A 43 24.173 9.694 -5.649 1.00 2.51 C ATOM 631 O ILE A 43 24.530 9.605 -6.822 1.00 45.45 O ATOM 632 CB ILE A 43 22.159 11.186 -6.181 1.00 21.04 C ATOM 633 CG1 ILE A 43 22.748 12.544 -5.796 1.00 5.45 C ATOM 634 CG2 ILE A 43 20.630 11.191 -6.134 1.00 32.53 C ATOM 635 CD1 ILE A 43 23.762 13.018 -6.839 1.00 52.34 C ATOM 0 H ILE A 43 23.444 10.988 -3.559 1.00 10.30 H new ATOM 0 HA ILE A 43 22.115 9.194 -5.501 1.00 3.34 H new ATOM 0 HB ILE A 43 22.449 10.990 -7.213 1.00 21.04 H new ATOM 0 HG12 ILE A 43 21.948 13.278 -5.702 1.00 5.45 H new ATOM 0 HG13 ILE A 43 23.230 12.472 -4.821 1.00 5.45 H new ATOM 0 HG21 ILE A 43 20.249 11.993 -6.766 1.00 32.53 H new ATOM 0 HG22 ILE A 43 20.252 10.234 -6.494 1.00 32.53 H new ATOM 0 HG23 ILE A 43 20.298 11.349 -5.108 1.00 32.53 H new ATOM 0 HD11 ILE A 43 24.165 13.986 -6.541 1.00 52.34 H new ATOM 0 HD12 ILE A 43 24.573 12.294 -6.913 1.00 52.34 H new ATOM 0 HD13 ILE A 43 23.271 13.113 -7.807 1.00 52.34 H new ATOM 647 N ASP A 44 24.963 9.483 -4.606 1.00 14.30 N ATOM 648 CA ASP A 44 26.358 9.118 -4.785 1.00 55.21 C ATOM 649 C ASP A 44 26.547 7.646 -4.413 1.00 53.13 C ATOM 650 O ASP A 44 27.416 7.312 -3.610 1.00 32.15 O ATOM 651 CB ASP A 44 27.266 9.954 -3.882 1.00 1.42 C ATOM 652 CG ASP A 44 27.003 9.803 -2.382 1.00 40.52 C ATOM 653 OD1 ASP A 44 26.518 8.760 -1.921 1.00 32.22 O ATOM 654 OD2 ASP A 44 27.322 10.828 -1.667 1.00 3.42 O ATOM 0 H ASP A 44 24.663 9.558 -3.634 1.00 14.30 H new ATOM 0 HA ASP A 44 26.622 9.297 -5.827 1.00 55.21 H new ATOM 0 HB2 ASP A 44 28.302 9.683 -4.083 1.00 1.42 H new ATOM 0 HB3 ASP A 44 27.154 11.004 -4.151 1.00 1.42 H new ATOM 660 N GLU A 45 25.719 6.806 -5.016 1.00 33.41 N ATOM 661 CA GLU A 45 25.784 5.377 -4.758 1.00 52.02 C ATOM 662 C GLU A 45 25.616 4.594 -6.062 1.00 42.20 C ATOM 663 O GLU A 45 26.366 3.656 -6.327 1.00 73.34 O ATOM 664 CB GLU A 45 24.733 4.957 -3.728 1.00 5.31 C ATOM 665 CG GLU A 45 24.455 6.089 -2.737 1.00 30.05 C ATOM 666 CD GLU A 45 23.954 5.537 -1.400 1.00 63.44 C ATOM 667 OE1 GLU A 45 22.930 4.838 -1.363 1.00 64.00 O ATOM 668 OE2 GLU A 45 24.670 5.856 -0.376 1.00 22.41 O ATOM 0 H GLU A 45 25.000 7.087 -5.682 1.00 33.41 H new ATOM 0 HA GLU A 45 26.765 5.147 -4.342 1.00 52.02 H new ATOM 0 HB2 GLU A 45 23.810 4.679 -4.237 1.00 5.31 H new ATOM 0 HB3 GLU A 45 25.078 4.074 -3.190 1.00 5.31 H new ATOM 0 HG2 GLU A 45 25.364 6.669 -2.577 1.00 30.05 H new ATOM 0 HG3 GLU A 45 23.713 6.769 -3.155 1.00 30.05 H new ATOM 676 N LYS A 46 24.628 5.009 -6.841 1.00 43.23 N ATOM 677 CA LYS A 46 24.353 4.359 -8.111 1.00 32.50 C ATOM 678 C LYS A 46 24.596 5.350 -9.251 1.00 1.15 C ATOM 679 O LYS A 46 25.098 6.450 -9.025 1.00 23.14 O ATOM 680 CB LYS A 46 22.947 3.756 -8.110 1.00 74.41 C ATOM 681 CG LYS A 46 21.940 4.712 -7.468 1.00 2.43 C ATOM 682 CD LYS A 46 21.799 5.994 -8.292 1.00 21.13 C ATOM 683 CE LYS A 46 22.404 7.190 -7.553 1.00 74.22 C ATOM 684 NZ LYS A 46 21.710 8.440 -7.937 1.00 23.14 N ATOM 0 H LYS A 46 24.008 5.787 -6.617 1.00 43.23 H new ATOM 0 HA LYS A 46 25.034 3.522 -8.266 1.00 32.50 H new ATOM 0 HB2 LYS A 46 22.642 3.534 -9.133 1.00 74.41 H new ATOM 0 HB3 LYS A 46 22.953 2.811 -7.567 1.00 74.41 H new ATOM 0 HG2 LYS A 46 20.970 4.221 -7.383 1.00 2.43 H new ATOM 0 HG3 LYS A 46 22.262 4.959 -6.456 1.00 2.43 H new ATOM 0 HD2 LYS A 46 22.295 5.868 -9.255 1.00 21.13 H new ATOM 0 HD3 LYS A 46 20.746 6.184 -8.498 1.00 21.13 H new ATOM 0 HE2 LYS A 46 22.324 7.038 -6.477 1.00 74.22 H new ATOM 0 HE3 LYS A 46 23.466 7.270 -7.786 1.00 74.22 H new ATOM 0 HZ1 LYS A 46 22.363 9.243 -7.841 1.00 23.14 H new ATOM 0 HZ2 LYS A 46 21.390 8.370 -8.924 1.00 23.14 H new ATOM 0 HZ3 LYS A 46 20.889 8.586 -7.316 1.00 23.14 H new ATOM 697 N LYS A 47 24.228 4.925 -10.450 1.00 45.24 N ATOM 698 CA LYS A 47 24.400 5.762 -11.626 1.00 5.02 C ATOM 699 C LYS A 47 23.031 6.061 -12.239 1.00 32.42 C ATOM 700 O LYS A 47 22.930 6.816 -13.204 1.00 42.40 O ATOM 701 CB LYS A 47 25.384 5.117 -12.604 1.00 24.43 C ATOM 702 CG LYS A 47 24.644 4.340 -13.694 1.00 53.02 C ATOM 703 CD LYS A 47 23.979 3.087 -13.120 1.00 12.51 C ATOM 704 CE LYS A 47 25.015 2.159 -12.484 1.00 4.11 C ATOM 705 NZ LYS A 47 24.485 0.781 -12.384 1.00 51.01 N ATOM 0 H LYS A 47 23.811 4.012 -10.633 1.00 45.24 H new ATOM 0 HA LYS A 47 24.842 6.719 -11.350 1.00 5.02 H new ATOM 0 HB2 LYS A 47 26.006 5.887 -13.060 1.00 24.43 H new ATOM 0 HB3 LYS A 47 26.052 4.446 -12.064 1.00 24.43 H new ATOM 0 HG2 LYS A 47 23.889 4.979 -14.152 1.00 53.02 H new ATOM 0 HG3 LYS A 47 25.342 4.057 -14.481 1.00 53.02 H new ATOM 0 HD2 LYS A 47 23.237 3.374 -12.375 1.00 12.51 H new ATOM 0 HD3 LYS A 47 23.449 2.558 -13.911 1.00 12.51 H new ATOM 0 HE2 LYS A 47 25.928 2.161 -13.079 1.00 4.11 H new ATOM 0 HE3 LYS A 47 25.280 2.526 -11.492 1.00 4.11 H new ATOM 0 HZ1 LYS A 47 25.201 0.164 -11.950 1.00 51.01 H new ATOM 0 HZ2 LYS A 47 23.626 0.781 -11.797 1.00 51.01 H new ATOM 0 HZ3 LYS A 47 24.254 0.428 -13.335 1.00 51.01 H new ATOM 718 N TYR A 48 22.010 5.452 -11.653 1.00 24.41 N ATOM 719 CA TYR A 48 20.651 5.643 -12.129 1.00 60.23 C ATOM 720 C TYR A 48 19.634 5.147 -11.099 1.00 41.30 C ATOM 721 O TYR A 48 19.684 3.992 -10.679 1.00 15.55 O ATOM 722 CB TYR A 48 20.526 4.798 -13.399 1.00 23.45 C ATOM 723 CG TYR A 48 19.774 3.480 -13.198 1.00 4.54 C ATOM 724 CD1 TYR A 48 18.422 3.493 -12.924 1.00 73.23 C ATOM 725 CD2 TYR A 48 20.449 2.280 -13.290 1.00 32.23 C ATOM 726 CE1 TYR A 48 17.714 2.253 -12.735 1.00 50.12 C ATOM 727 CE2 TYR A 48 19.741 1.040 -13.101 1.00 1.04 C ATOM 728 CZ TYR A 48 18.409 1.088 -12.833 1.00 34.14 C ATOM 729 OH TYR A 48 17.740 -0.083 -12.654 1.00 42.00 O ATOM 0 H TYR A 48 22.097 4.826 -10.853 1.00 24.41 H new ATOM 0 HA TYR A 48 20.453 6.700 -12.308 1.00 60.23 H new ATOM 0 HB2 TYR A 48 20.015 5.383 -14.164 1.00 23.45 H new ATOM 0 HB3 TYR A 48 21.524 4.581 -13.778 1.00 23.45 H new ATOM 0 HD1 TYR A 48 17.895 4.433 -12.851 1.00 73.23 H new ATOM 0 HD2 TYR A 48 21.508 2.271 -13.504 1.00 32.23 H new ATOM 0 HE1 TYR A 48 16.656 2.248 -12.520 1.00 50.12 H new ATOM 0 HE2 TYR A 48 20.257 0.094 -13.171 1.00 1.04 H new ATOM 0 HH TYR A 48 18.362 -0.834 -12.754 1.00 42.00 H new ATOM 739 N TYR A 49 18.736 6.045 -10.722 1.00 50.51 N ATOM 740 CA TYR A 49 17.709 5.714 -9.749 1.00 50.11 C ATOM 741 C TYR A 49 16.312 5.854 -10.357 1.00 71.11 C ATOM 742 O TYR A 49 16.169 5.962 -11.574 1.00 13.20 O ATOM 743 CB TYR A 49 17.862 6.728 -8.613 1.00 74.42 C ATOM 744 CG TYR A 49 18.629 6.194 -7.402 1.00 60.00 C ATOM 745 CD1 TYR A 49 18.455 4.886 -6.996 1.00 51.41 C ATOM 746 CD2 TYR A 49 19.495 7.020 -6.715 1.00 45.03 C ATOM 747 CE1 TYR A 49 19.177 4.384 -5.856 1.00 42.11 C ATOM 748 CE2 TYR A 49 20.218 6.518 -5.575 1.00 72.34 C ATOM 749 CZ TYR A 49 20.023 5.225 -5.202 1.00 60.50 C ATOM 750 OH TYR A 49 20.705 4.750 -4.125 1.00 42.14 O ATOM 0 H TYR A 49 18.698 7.002 -11.073 1.00 50.51 H new ATOM 0 HA TYR A 49 17.820 4.685 -9.408 1.00 50.11 H new ATOM 0 HB2 TYR A 49 18.375 7.611 -8.994 1.00 74.42 H new ATOM 0 HB3 TYR A 49 16.872 7.049 -8.290 1.00 74.42 H new ATOM 0 HD1 TYR A 49 17.777 4.239 -7.534 1.00 51.41 H new ATOM 0 HD2 TYR A 49 19.631 8.043 -7.032 1.00 45.03 H new ATOM 0 HE1 TYR A 49 19.050 3.363 -5.528 1.00 42.11 H new ATOM 0 HE2 TYR A 49 20.899 7.154 -5.029 1.00 72.34 H new ATOM 0 HH TYR A 49 21.272 5.460 -3.758 1.00 42.14 H new ATOM 760 N LEU A 50 15.317 5.847 -9.482 1.00 42.10 N ATOM 761 CA LEU A 50 13.937 5.972 -9.917 1.00 75.24 C ATOM 762 C LEU A 50 13.243 7.058 -9.093 1.00 54.34 C ATOM 763 O LEU A 50 13.835 7.617 -8.171 1.00 61.53 O ATOM 764 CB LEU A 50 13.233 4.614 -9.862 1.00 54.44 C ATOM 765 CG LEU A 50 13.703 3.573 -10.880 1.00 51.21 C ATOM 766 CD1 LEU A 50 14.687 2.590 -10.244 1.00 3.24 C ATOM 767 CD2 LEU A 50 12.513 2.858 -11.522 1.00 72.33 C ATOM 0 H LEU A 50 15.440 5.757 -8.473 1.00 42.10 H new ATOM 0 HA LEU A 50 13.893 6.286 -10.960 1.00 75.24 H new ATOM 0 HB2 LEU A 50 13.363 4.200 -8.862 1.00 54.44 H new ATOM 0 HB3 LEU A 50 12.164 4.775 -10.004 1.00 54.44 H new ATOM 0 HG LEU A 50 14.236 4.091 -11.677 1.00 51.21 H new ATOM 0 HD11 LEU A 50 15.005 1.861 -10.989 1.00 3.24 H new ATOM 0 HD12 LEU A 50 15.556 3.134 -9.874 1.00 3.24 H new ATOM 0 HD13 LEU A 50 14.202 2.074 -9.416 1.00 3.24 H new ATOM 0 HD21 LEU A 50 12.875 2.123 -12.241 1.00 72.33 H new ATOM 0 HD22 LEU A 50 11.932 2.354 -10.750 1.00 72.33 H new ATOM 0 HD23 LEU A 50 11.883 3.586 -12.033 1.00 72.33 H new ATOM 779 N PHE A 51 11.997 7.326 -9.456 1.00 34.33 N ATOM 780 CA PHE A 51 11.216 8.335 -8.761 1.00 54.44 C ATOM 781 C PHE A 51 9.732 8.220 -9.116 1.00 14.25 C ATOM 782 O PHE A 51 9.323 8.582 -10.218 1.00 30.31 O ATOM 783 CB PHE A 51 11.734 9.698 -9.224 1.00 50.35 C ATOM 784 CG PHE A 51 12.756 10.330 -8.277 1.00 61.12 C ATOM 785 CD1 PHE A 51 12.347 10.874 -7.100 1.00 32.11 C ATOM 786 CD2 PHE A 51 14.074 10.347 -8.613 1.00 1.25 C ATOM 787 CE1 PHE A 51 13.295 11.460 -6.221 1.00 5.03 C ATOM 788 CE2 PHE A 51 15.023 10.933 -7.733 1.00 53.34 C ATOM 789 CZ PHE A 51 14.613 11.477 -6.556 1.00 44.30 C ATOM 0 H PHE A 51 11.509 6.862 -10.222 1.00 34.33 H new ATOM 0 HA PHE A 51 11.316 8.206 -7.683 1.00 54.44 H new ATOM 0 HB2 PHE A 51 12.187 9.587 -10.209 1.00 50.35 H new ATOM 0 HB3 PHE A 51 10.889 10.377 -9.336 1.00 50.35 H new ATOM 0 HD1 PHE A 51 11.300 10.860 -6.834 1.00 32.11 H new ATOM 0 HD2 PHE A 51 14.399 9.915 -9.548 1.00 1.25 H new ATOM 0 HE1 PHE A 51 12.970 11.892 -5.286 1.00 5.03 H new ATOM 0 HE2 PHE A 51 16.070 10.946 -7.999 1.00 53.34 H new ATOM 0 HZ PHE A 51 15.334 11.923 -5.887 1.00 44.30 H new ATOM 799 N GLY A 52 8.965 7.715 -8.160 1.00 4.22 N ATOM 800 CA GLY A 52 7.536 7.548 -8.357 1.00 34.10 C ATOM 801 C GLY A 52 6.807 7.437 -7.016 1.00 75.44 C ATOM 802 O GLY A 52 6.535 8.446 -6.368 1.00 75.10 O ATOM 0 H GLY A 52 9.307 7.416 -7.247 1.00 4.22 H new ATOM 0 HA2 GLY A 52 7.142 8.394 -8.920 1.00 34.10 H new ATOM 0 HA3 GLY A 52 7.349 6.654 -8.952 1.00 34.10 H new ATOM 806 N ARG A 53 6.511 6.201 -6.641 1.00 31.03 N ATOM 807 CA ARG A 53 5.819 5.945 -5.389 1.00 73.31 C ATOM 808 C ARG A 53 6.065 4.506 -4.932 1.00 34.45 C ATOM 809 O ARG A 53 6.303 4.258 -3.750 1.00 42.25 O ATOM 810 CB ARG A 53 4.313 6.176 -5.535 1.00 3.01 C ATOM 811 CG ARG A 53 3.996 6.922 -6.832 1.00 44.35 C ATOM 812 CD ARG A 53 2.486 7.076 -7.021 1.00 50.55 C ATOM 813 NE ARG A 53 1.863 5.749 -7.224 1.00 43.33 N ATOM 814 CZ ARG A 53 0.574 5.564 -7.578 1.00 15.42 C ATOM 815 NH1 ARG A 53 -0.242 6.623 -7.771 1.00 34.52 N ATOM 816 NH2 ARG A 53 0.122 4.334 -7.732 1.00 22.43 N ATOM 0 H ARG A 53 6.738 5.366 -7.182 1.00 31.03 H new ATOM 0 HA ARG A 53 6.211 6.639 -4.645 1.00 73.31 H new ATOM 0 HB2 ARG A 53 3.792 5.219 -5.525 1.00 3.01 H new ATOM 0 HB3 ARG A 53 3.945 6.748 -4.683 1.00 3.01 H new ATOM 0 HG2 ARG A 53 4.466 7.905 -6.814 1.00 44.35 H new ATOM 0 HG3 ARG A 53 4.419 6.382 -7.679 1.00 44.35 H new ATOM 0 HD2 ARG A 53 2.050 7.562 -6.148 1.00 50.55 H new ATOM 0 HD3 ARG A 53 2.282 7.718 -7.878 1.00 50.55 H new ATOM 0 HE ARG A 53 2.445 4.922 -7.088 1.00 43.33 H new ATOM 0 HH11 ARG A 53 0.115 7.571 -7.649 1.00 34.52 H new ATOM 0 HH12 ARG A 53 -1.215 6.475 -8.038 1.00 34.52 H new ATOM 0 HH21 ARG A 53 0.744 3.540 -7.584 1.00 22.43 H new ATOM 0 HH22 ARG A 53 -0.850 4.178 -7.999 1.00 22.43 H new ATOM 829 N ASN A 54 5.998 3.594 -5.891 1.00 30.14 N ATOM 830 CA ASN A 54 6.210 2.186 -5.601 1.00 24.01 C ATOM 831 C ASN A 54 7.713 1.907 -5.525 1.00 32.54 C ATOM 832 O ASN A 54 8.410 1.961 -6.536 1.00 41.23 O ATOM 833 CB ASN A 54 5.620 1.302 -6.701 1.00 44.14 C ATOM 834 CG ASN A 54 4.658 0.267 -6.116 1.00 55.12 C ATOM 835 OD1 ASN A 54 3.497 0.184 -6.483 1.00 31.31 O ATOM 836 ND2 ASN A 54 5.202 -0.515 -5.188 1.00 42.43 N ATOM 0 H ASN A 54 5.800 3.803 -6.870 1.00 30.14 H new ATOM 0 HA ASN A 54 5.720 1.959 -4.655 1.00 24.01 H new ATOM 0 HB2 ASN A 54 5.095 1.922 -7.428 1.00 44.14 H new ATOM 0 HB3 ASN A 54 6.424 0.795 -7.235 1.00 44.14 H new ATOM 0 HD21 ASN A 54 4.641 -1.237 -4.737 1.00 42.43 H new ATOM 0 HD22 ASN A 54 6.180 -0.392 -4.927 1.00 42.43 H new ATOM 843 N PRO A 55 8.179 1.605 -4.283 1.00 40.40 N ATOM 844 CA PRO A 55 9.586 1.317 -4.061 1.00 52.24 C ATOM 845 C PRO A 55 9.947 -0.079 -4.573 1.00 51.44 C ATOM 846 O PRO A 55 11.115 -0.366 -4.833 1.00 14.24 O ATOM 847 CB PRO A 55 9.788 1.471 -2.563 1.00 35.22 C ATOM 848 CG PRO A 55 8.402 1.382 -1.944 1.00 52.04 C ATOM 849 CD PRO A 55 7.382 1.531 -3.062 1.00 3.42 C ATOM 0 HA PRO A 55 10.245 1.991 -4.609 1.00 52.24 H new ATOM 0 HB2 PRO A 55 10.440 0.689 -2.174 1.00 35.22 H new ATOM 0 HB3 PRO A 55 10.260 2.425 -2.329 1.00 35.22 H new ATOM 0 HG2 PRO A 55 8.272 0.428 -1.434 1.00 52.04 H new ATOM 0 HG3 PRO A 55 8.267 2.164 -1.197 1.00 52.04 H new ATOM 0 HD2 PRO A 55 6.696 0.684 -3.088 1.00 3.42 H new ATOM 0 HD3 PRO A 55 6.777 2.428 -2.929 1.00 3.42 H new ATOM 857 N ASP A 56 8.923 -0.909 -4.704 1.00 21.30 N ATOM 858 CA ASP A 56 9.118 -2.268 -5.181 1.00 31.14 C ATOM 859 C ASP A 56 9.761 -2.230 -6.568 1.00 40.03 C ATOM 860 O ASP A 56 10.294 -3.235 -7.037 1.00 54.44 O ATOM 861 CB ASP A 56 7.783 -3.007 -5.298 1.00 64.11 C ATOM 862 CG ASP A 56 7.886 -4.454 -5.785 1.00 22.14 C ATOM 863 OD1 ASP A 56 7.607 -5.401 -5.035 1.00 35.32 O ATOM 864 OD2 ASP A 56 8.278 -4.592 -7.006 1.00 32.11 O ATOM 0 H ASP A 56 7.956 -0.667 -4.488 1.00 21.30 H new ATOM 0 HA ASP A 56 9.757 -2.788 -4.467 1.00 31.14 H new ATOM 0 HB2 ASP A 56 7.295 -3.001 -4.323 1.00 64.11 H new ATOM 0 HB3 ASP A 56 7.138 -2.455 -5.981 1.00 64.11 H new ATOM 870 N LEU A 57 9.690 -1.060 -7.186 1.00 63.12 N ATOM 871 CA LEU A 57 10.259 -0.878 -8.511 1.00 1.12 C ATOM 872 C LEU A 57 11.271 0.269 -8.473 1.00 54.54 C ATOM 873 O LEU A 57 12.379 0.142 -8.992 1.00 14.10 O ATOM 874 CB LEU A 57 9.151 -0.687 -9.548 1.00 53.12 C ATOM 875 CG LEU A 57 7.752 -1.144 -9.127 1.00 43.44 C ATOM 876 CD1 LEU A 57 6.685 -0.577 -10.066 1.00 21.12 C ATOM 877 CD2 LEU A 57 7.680 -2.669 -9.031 1.00 15.22 C ATOM 0 H LEU A 57 9.247 -0.229 -6.794 1.00 63.12 H new ATOM 0 HA LEU A 57 10.801 -1.772 -8.819 1.00 1.12 H new ATOM 0 HB2 LEU A 57 9.103 0.370 -9.809 1.00 53.12 H new ATOM 0 HB3 LEU A 57 9.431 -1.226 -10.453 1.00 53.12 H new ATOM 0 HG LEU A 57 7.548 -0.749 -8.132 1.00 43.44 H new ATOM 0 HD11 LEU A 57 5.700 -0.917 -9.745 1.00 21.12 H new ATOM 0 HD12 LEU A 57 6.719 0.512 -10.040 1.00 21.12 H new ATOM 0 HD13 LEU A 57 6.874 -0.922 -11.082 1.00 21.12 H new ATOM 0 HD21 LEU A 57 6.676 -2.968 -8.730 1.00 15.22 H new ATOM 0 HD22 LEU A 57 7.913 -3.106 -10.002 1.00 15.22 H new ATOM 0 HD23 LEU A 57 8.400 -3.021 -8.292 1.00 15.22 H new ATOM 889 N CYS A 58 10.853 1.364 -7.855 1.00 11.12 N ATOM 890 CA CYS A 58 11.709 2.533 -7.743 1.00 14.22 C ATOM 891 C CYS A 58 12.492 2.431 -6.433 1.00 4.11 C ATOM 892 O CYS A 58 12.171 1.610 -5.576 1.00 22.44 O ATOM 893 CB CYS A 58 10.905 3.832 -7.827 1.00 41.44 C ATOM 894 SG CYS A 58 9.895 3.845 -9.353 1.00 41.44 S ATOM 0 H CYS A 58 9.933 1.466 -7.427 1.00 11.12 H new ATOM 0 HA CYS A 58 12.406 2.559 -8.581 1.00 14.22 H new ATOM 0 HB2 CYS A 58 10.260 3.927 -6.953 1.00 41.44 H new ATOM 0 HB3 CYS A 58 11.580 4.688 -7.820 1.00 41.44 H new ATOM 0 HG CYS A 58 8.648 4.045 -9.046 1.00 41.44 H new ATOM 900 N ASP A 59 13.506 3.277 -6.319 1.00 55.31 N ATOM 901 CA ASP A 59 14.338 3.293 -5.128 1.00 73.41 C ATOM 902 C ASP A 59 13.800 4.338 -4.149 1.00 31.02 C ATOM 903 O ASP A 59 13.901 4.167 -2.935 1.00 63.10 O ATOM 904 CB ASP A 59 15.782 3.664 -5.470 1.00 51.10 C ATOM 905 CG ASP A 59 16.819 2.585 -5.153 1.00 44.15 C ATOM 906 OD1 ASP A 59 17.151 2.342 -3.984 1.00 22.42 O ATOM 907 OD2 ASP A 59 17.301 1.973 -6.182 1.00 54.01 O ATOM 0 H ASP A 59 13.770 3.956 -7.032 1.00 55.31 H new ATOM 0 HA ASP A 59 14.317 2.296 -4.688 1.00 73.41 H new ATOM 0 HB2 ASP A 59 15.839 3.900 -6.533 1.00 51.10 H new ATOM 0 HB3 ASP A 59 16.046 4.572 -4.927 1.00 51.10 H new ATOM 913 N PHE A 60 13.239 5.398 -4.713 1.00 64.41 N ATOM 914 CA PHE A 60 12.685 6.471 -3.905 1.00 24.41 C ATOM 915 C PHE A 60 11.157 6.475 -3.972 1.00 72.41 C ATOM 916 O PHE A 60 10.552 5.539 -4.495 1.00 5.43 O ATOM 917 CB PHE A 60 13.213 7.785 -4.484 1.00 71.20 C ATOM 918 CG PHE A 60 14.619 8.155 -4.008 1.00 20.24 C ATOM 919 CD1 PHE A 60 15.410 7.213 -3.427 1.00 41.02 C ATOM 920 CD2 PHE A 60 15.078 9.425 -4.165 1.00 12.43 C ATOM 921 CE1 PHE A 60 16.715 7.556 -2.985 1.00 41.41 C ATOM 922 CE2 PHE A 60 16.383 9.769 -3.723 1.00 32.34 C ATOM 923 CZ PHE A 60 17.174 8.827 -3.142 1.00 51.02 C ATOM 0 H PHE A 60 13.156 5.536 -5.720 1.00 64.41 H new ATOM 0 HA PHE A 60 12.975 6.340 -2.863 1.00 24.41 H new ATOM 0 HB2 PHE A 60 13.215 7.716 -5.572 1.00 71.20 H new ATOM 0 HB3 PHE A 60 12.527 8.589 -4.217 1.00 71.20 H new ATOM 0 HD1 PHE A 60 15.045 6.204 -3.302 1.00 41.02 H new ATOM 0 HD2 PHE A 60 14.450 10.173 -4.626 1.00 12.43 H new ATOM 0 HE1 PHE A 60 17.343 6.808 -2.524 1.00 41.41 H new ATOM 0 HE2 PHE A 60 16.747 10.778 -3.848 1.00 32.34 H new ATOM 0 HZ PHE A 60 18.166 9.088 -2.805 1.00 51.02 H new ATOM 933 N THR A 61 10.576 7.537 -3.436 1.00 15.44 N ATOM 934 CA THR A 61 9.129 7.675 -3.428 1.00 40.41 C ATOM 935 C THR A 61 8.734 9.153 -3.410 1.00 45.53 C ATOM 936 O THR A 61 9.059 9.875 -2.468 1.00 75.12 O ATOM 937 CB THR A 61 8.585 6.887 -2.235 1.00 61.11 C ATOM 938 OG1 THR A 61 9.542 7.113 -1.204 1.00 63.10 O ATOM 939 CG2 THR A 61 8.632 5.375 -2.462 1.00 62.52 C ATOM 0 H THR A 61 11.081 8.311 -3.004 1.00 15.44 H new ATOM 0 HA THR A 61 8.688 7.264 -4.336 1.00 40.41 H new ATOM 0 HB THR A 61 7.558 7.193 -2.036 1.00 61.11 H new ATOM 0 HG1 THR A 61 9.756 8.068 -1.160 1.00 63.10 H new ATOM 0 HG21 THR A 61 8.235 4.863 -1.586 1.00 62.52 H new ATOM 0 HG22 THR A 61 8.031 5.119 -3.335 1.00 62.52 H new ATOM 0 HG23 THR A 61 9.663 5.064 -2.627 1.00 62.52 H new ATOM 947 N ILE A 62 8.040 9.560 -4.463 1.00 45.30 N ATOM 948 CA ILE A 62 7.598 10.939 -4.580 1.00 42.53 C ATOM 949 C ILE A 62 6.544 11.225 -3.509 1.00 3.43 C ATOM 950 O ILE A 62 6.385 12.367 -3.079 1.00 32.22 O ATOM 951 CB ILE A 62 7.121 11.230 -6.005 1.00 24.12 C ATOM 952 CG1 ILE A 62 8.150 10.758 -7.034 1.00 62.13 C ATOM 953 CG2 ILE A 62 6.777 12.711 -6.176 1.00 74.34 C ATOM 954 CD1 ILE A 62 7.753 11.195 -8.446 1.00 24.30 C ATOM 0 H ILE A 62 7.773 8.959 -5.243 1.00 45.30 H new ATOM 0 HA ILE A 62 8.429 11.621 -4.401 1.00 42.53 H new ATOM 0 HB ILE A 62 6.206 10.665 -6.182 1.00 24.12 H new ATOM 0 HG12 ILE A 62 9.131 11.164 -6.786 1.00 62.13 H new ATOM 0 HG13 ILE A 62 8.236 9.672 -6.996 1.00 62.13 H new ATOM 0 HG21 ILE A 62 6.441 12.891 -7.197 1.00 74.34 H new ATOM 0 HG22 ILE A 62 5.984 12.983 -5.480 1.00 74.34 H new ATOM 0 HG23 ILE A 62 7.661 13.316 -5.973 1.00 74.34 H new ATOM 0 HD11 ILE A 62 8.501 10.847 -9.158 1.00 24.30 H new ATOM 0 HD12 ILE A 62 6.783 10.767 -8.700 1.00 24.30 H new ATOM 0 HD13 ILE A 62 7.692 12.283 -8.487 1.00 24.30 H new ATOM 966 N ASP A 63 5.852 10.169 -3.108 1.00 41.12 N ATOM 967 CA ASP A 63 4.818 10.292 -2.095 1.00 52.30 C ATOM 968 C ASP A 63 3.701 11.198 -2.619 1.00 65.34 C ATOM 969 O ASP A 63 3.422 12.245 -2.038 1.00 21.00 O ATOM 970 CB ASP A 63 5.373 10.920 -0.815 1.00 20.52 C ATOM 971 CG ASP A 63 4.349 11.118 0.305 1.00 62.03 C ATOM 972 OD1 ASP A 63 3.469 10.272 0.523 1.00 24.20 O ATOM 973 OD2 ASP A 63 4.482 12.211 0.978 1.00 70.45 O ATOM 0 H ASP A 63 5.987 9.224 -3.467 1.00 41.12 H new ATOM 0 HA ASP A 63 4.443 9.293 -1.874 1.00 52.30 H new ATOM 0 HB2 ASP A 63 6.181 10.292 -0.441 1.00 20.52 H new ATOM 0 HB3 ASP A 63 5.810 11.887 -1.063 1.00 20.52 H new ATOM 979 N HIS A 64 3.093 10.761 -3.712 1.00 64.15 N ATOM 980 CA HIS A 64 2.014 11.519 -4.322 1.00 33.12 C ATOM 981 C HIS A 64 1.139 10.583 -5.158 1.00 54.44 C ATOM 982 O HIS A 64 1.649 9.711 -5.859 1.00 42.02 O ATOM 983 CB HIS A 64 2.565 12.696 -5.130 1.00 34.35 C ATOM 984 CG HIS A 64 1.748 13.960 -5.007 1.00 4.31 C ATOM 985 ND1 HIS A 64 0.370 13.978 -5.133 1.00 3.24 N ATOM 986 CD2 HIS A 64 2.130 15.248 -4.768 1.00 22.21 C ATOM 987 CE1 HIS A 64 -0.048 15.226 -4.976 1.00 22.44 C ATOM 988 NE2 HIS A 64 1.044 16.011 -4.750 1.00 64.12 N ATOM 0 H HIS A 64 3.327 9.891 -4.191 1.00 64.15 H new ATOM 0 HA HIS A 64 1.384 11.952 -3.545 1.00 33.12 H new ATOM 0 HB2 HIS A 64 3.585 12.901 -4.805 1.00 34.35 H new ATOM 0 HB3 HIS A 64 2.617 12.410 -6.180 1.00 34.35 H new ATOM 0 HD2 HIS A 64 3.144 15.589 -4.619 1.00 22.21 H new ATOM 0 HE1 HIS A 64 -1.073 15.562 -5.019 1.00 22.44 H new ATOM 0 HE2 HIS A 64 1.029 17.019 -4.593 1.00 64.12 H new ATOM 996 N GLN A 65 -0.165 10.797 -5.057 1.00 51.23 N ATOM 997 CA GLN A 65 -1.116 9.984 -5.796 1.00 13.11 C ATOM 998 C GLN A 65 -1.053 10.316 -7.288 1.00 44.51 C ATOM 999 O GLN A 65 -1.139 9.424 -8.131 1.00 4.45 O ATOM 1000 CB GLN A 65 -2.534 10.170 -5.253 1.00 15.11 C ATOM 1001 CG GLN A 65 -3.196 11.409 -5.860 1.00 1.13 C ATOM 1002 CD GLN A 65 -4.576 11.650 -5.245 1.00 11.40 C ATOM 1003 OE1 GLN A 65 -4.752 12.460 -4.349 1.00 73.13 O ATOM 1004 NE2 GLN A 65 -5.542 10.905 -5.774 1.00 50.05 N ATOM 0 H GLN A 65 -0.585 11.522 -4.475 1.00 51.23 H new ATOM 0 HA GLN A 65 -0.846 8.936 -5.666 1.00 13.11 H new ATOM 0 HB2 GLN A 65 -3.132 9.287 -5.478 1.00 15.11 H new ATOM 0 HB3 GLN A 65 -2.502 10.265 -4.168 1.00 15.11 H new ATOM 0 HG2 GLN A 65 -2.563 12.281 -5.696 1.00 1.13 H new ATOM 0 HG3 GLN A 65 -3.291 11.283 -6.939 1.00 1.13 H new ATOM 0 HE21 GLN A 65 -5.326 10.246 -6.522 1.00 50.05 H new ATOM 0 HE22 GLN A 65 -6.499 10.993 -5.432 1.00 50.05 H new ATOM 1013 N SER A 66 -0.902 11.602 -7.569 1.00 54.44 N ATOM 1014 CA SER A 66 -0.826 12.064 -8.945 1.00 72.53 C ATOM 1015 C SER A 66 0.277 11.308 -9.690 1.00 13.51 C ATOM 1016 O SER A 66 0.031 10.723 -10.743 1.00 72.13 O ATOM 1017 CB SER A 66 -0.573 13.571 -9.008 1.00 5.04 C ATOM 1018 OG SER A 66 -1.780 14.309 -9.171 1.00 54.34 O ATOM 0 H SER A 66 -0.830 12.339 -6.867 1.00 54.44 H new ATOM 0 HA SER A 66 -1.784 11.865 -9.426 1.00 72.53 H new ATOM 0 HB2 SER A 66 -0.072 13.893 -8.095 1.00 5.04 H new ATOM 0 HB3 SER A 66 0.101 13.791 -9.836 1.00 5.04 H new ATOM 0 HG SER A 66 -1.576 15.267 -9.205 1.00 54.34 H new ATOM 1024 N CYS A 67 1.469 11.347 -9.113 1.00 71.51 N ATOM 1025 CA CYS A 67 2.610 10.673 -9.709 1.00 3.21 C ATOM 1026 C CYS A 67 2.229 9.213 -9.960 1.00 62.13 C ATOM 1027 O CYS A 67 1.088 8.817 -9.728 1.00 61.31 O ATOM 1028 CB CYS A 67 3.859 10.795 -8.833 1.00 60.51 C ATOM 1029 SG CYS A 67 4.149 12.548 -8.397 1.00 24.12 S ATOM 0 H CYS A 67 1.669 11.834 -8.240 1.00 71.51 H new ATOM 0 HA CYS A 67 2.863 11.149 -10.657 1.00 3.21 H new ATOM 0 HB2 CYS A 67 3.737 10.202 -7.927 1.00 60.51 H new ATOM 0 HB3 CYS A 67 4.724 10.395 -9.362 1.00 60.51 H new ATOM 0 HG CYS A 67 4.778 13.139 -9.369 1.00 24.12 H new ATOM 1035 N SER A 68 3.206 8.452 -10.431 1.00 44.35 N ATOM 1036 CA SER A 68 2.988 7.044 -10.717 1.00 14.51 C ATOM 1037 C SER A 68 4.137 6.210 -10.148 1.00 1.44 C ATOM 1038 O SER A 68 5.157 6.756 -9.730 1.00 43.10 O ATOM 1039 CB SER A 68 2.851 6.802 -12.221 1.00 54.33 C ATOM 1040 OG SER A 68 2.350 5.499 -12.509 1.00 11.51 O ATOM 0 H SER A 68 4.151 8.784 -10.622 1.00 44.35 H new ATOM 0 HA SER A 68 2.056 6.739 -10.241 1.00 14.51 H new ATOM 0 HB2 SER A 68 2.183 7.550 -12.649 1.00 54.33 H new ATOM 0 HB3 SER A 68 3.822 6.931 -12.699 1.00 54.33 H new ATOM 0 HG SER A 68 2.275 5.384 -13.479 1.00 11.51 H new ATOM 1046 N ARG A 69 3.933 4.901 -10.149 1.00 42.32 N ATOM 1047 CA ARG A 69 4.940 3.986 -9.638 1.00 53.50 C ATOM 1048 C ARG A 69 6.336 4.436 -10.074 1.00 73.44 C ATOM 1049 O ARG A 69 7.249 4.519 -9.255 1.00 23.20 O ATOM 1050 CB ARG A 69 4.692 2.561 -10.135 1.00 75.11 C ATOM 1051 CG ARG A 69 3.519 1.917 -9.392 1.00 2.44 C ATOM 1052 CD ARG A 69 2.222 2.052 -10.192 1.00 63.42 C ATOM 1053 NE ARG A 69 1.333 0.903 -9.911 1.00 72.41 N ATOM 1054 CZ ARG A 69 0.106 0.745 -10.452 1.00 61.02 C ATOM 1055 NH1 ARG A 69 -0.388 1.664 -11.309 1.00 61.43 N ATOM 1056 NH2 ARG A 69 -0.603 -0.321 -10.131 1.00 12.25 N ATOM 0 H ARG A 69 3.085 4.452 -10.496 1.00 42.32 H new ATOM 0 HA ARG A 69 4.875 3.995 -8.550 1.00 53.50 H new ATOM 0 HB2 ARG A 69 4.485 2.576 -11.205 1.00 75.11 H new ATOM 0 HB3 ARG A 69 5.591 1.961 -9.993 1.00 75.11 H new ATOM 0 HG2 ARG A 69 3.732 0.863 -9.213 1.00 2.44 H new ATOM 0 HG3 ARG A 69 3.399 2.388 -8.416 1.00 2.44 H new ATOM 0 HD2 ARG A 69 1.720 2.984 -9.932 1.00 63.42 H new ATOM 0 HD3 ARG A 69 2.445 2.098 -11.258 1.00 63.42 H new ATOM 0 HE ARG A 69 1.668 0.185 -9.268 1.00 72.41 H new ATOM 0 HH11 ARG A 69 0.167 2.485 -11.552 1.00 61.43 H new ATOM 0 HH12 ARG A 69 -1.316 1.537 -11.713 1.00 61.43 H new ATOM 0 HH21 ARG A 69 -0.222 -1.011 -9.483 1.00 12.25 H new ATOM 0 HH22 ARG A 69 -1.532 -0.455 -10.531 1.00 12.25 H new ATOM 1069 N VAL A 70 6.457 4.713 -11.364 1.00 50.22 N ATOM 1070 CA VAL A 70 7.726 5.152 -11.919 1.00 62.33 C ATOM 1071 C VAL A 70 7.527 6.482 -12.648 1.00 73.14 C ATOM 1072 O VAL A 70 7.649 6.549 -13.870 1.00 62.55 O ATOM 1073 CB VAL A 70 8.310 4.059 -12.818 1.00 11.24 C ATOM 1074 CG1 VAL A 70 9.829 4.198 -12.933 1.00 41.01 C ATOM 1075 CG2 VAL A 70 7.923 2.668 -12.311 1.00 41.31 C ATOM 0 H VAL A 70 5.697 4.642 -12.041 1.00 50.22 H new ATOM 0 HA VAL A 70 8.452 5.323 -11.124 1.00 62.33 H new ATOM 0 HB VAL A 70 7.886 4.182 -13.815 1.00 11.24 H new ATOM 0 HG11 VAL A 70 10.219 3.410 -13.577 1.00 41.01 H new ATOM 0 HG12 VAL A 70 10.074 5.170 -13.361 1.00 41.01 H new ATOM 0 HG13 VAL A 70 10.278 4.113 -11.943 1.00 41.01 H new ATOM 0 HG21 VAL A 70 8.350 1.910 -12.967 1.00 41.31 H new ATOM 0 HG22 VAL A 70 8.305 2.530 -11.300 1.00 41.31 H new ATOM 0 HG23 VAL A 70 6.837 2.572 -12.305 1.00 41.31 H new ATOM 1085 N HIS A 71 7.223 7.508 -11.868 1.00 12.24 N ATOM 1086 CA HIS A 71 7.005 8.833 -12.424 1.00 21.13 C ATOM 1087 C HIS A 71 8.179 9.208 -13.330 1.00 41.22 C ATOM 1088 O HIS A 71 7.979 9.707 -14.436 1.00 41.35 O ATOM 1089 CB HIS A 71 6.764 9.856 -11.312 1.00 31.22 C ATOM 1090 CG HIS A 71 6.526 11.261 -11.811 1.00 43.12 C ATOM 1091 ND1 HIS A 71 5.433 12.018 -11.428 1.00 11.10 N ATOM 1092 CD2 HIS A 71 7.252 12.038 -12.665 1.00 44.13 C ATOM 1093 CE1 HIS A 71 5.507 13.195 -12.031 1.00 43.41 C ATOM 1094 NE2 HIS A 71 6.635 13.206 -12.798 1.00 23.32 N ATOM 0 H HIS A 71 7.122 7.449 -10.855 1.00 12.24 H new ATOM 0 HA HIS A 71 6.104 8.831 -13.037 1.00 21.13 H new ATOM 0 HB2 HIS A 71 5.903 9.540 -10.722 1.00 31.22 H new ATOM 0 HB3 HIS A 71 7.625 9.860 -10.643 1.00 31.22 H new ATOM 0 HD2 HIS A 71 8.173 11.752 -13.151 1.00 44.13 H new ATOM 0 HE1 HIS A 71 4.798 14.004 -11.933 1.00 43.41 H new ATOM 0 HE2 HIS A 71 6.952 13.983 -13.378 1.00 23.32 H new ATOM 1103 N ALA A 72 9.378 8.953 -12.828 1.00 2.45 N ATOM 1104 CA ALA A 72 10.585 9.258 -13.578 1.00 15.20 C ATOM 1105 C ALA A 72 11.763 8.493 -12.973 1.00 3.21 C ATOM 1106 O ALA A 72 11.580 7.674 -12.074 1.00 5.25 O ATOM 1107 CB ALA A 72 10.813 10.771 -13.585 1.00 21.01 C ATOM 0 H ALA A 72 9.540 8.538 -11.910 1.00 2.45 H new ATOM 0 HA ALA A 72 10.483 8.939 -14.615 1.00 15.20 H new ATOM 0 HB1 ALA A 72 11.718 11.000 -14.147 1.00 21.01 H new ATOM 0 HB2 ALA A 72 9.961 11.265 -14.052 1.00 21.01 H new ATOM 0 HB3 ALA A 72 10.922 11.127 -12.561 1.00 21.01 H new ATOM 1113 N ALA A 73 12.947 8.787 -13.491 1.00 12.42 N ATOM 1114 CA ALA A 73 14.155 8.137 -13.013 1.00 3.41 C ATOM 1115 C ALA A 73 15.348 9.073 -13.219 1.00 41.14 C ATOM 1116 O ALA A 73 15.387 9.830 -14.188 1.00 43.20 O ATOM 1117 CB ALA A 73 14.333 6.798 -13.731 1.00 43.44 C ATOM 0 H ALA A 73 13.095 9.467 -14.237 1.00 12.42 H new ATOM 0 HA ALA A 73 14.081 7.927 -11.946 1.00 3.41 H new ATOM 0 HB1 ALA A 73 15.239 6.310 -13.372 1.00 43.44 H new ATOM 0 HB2 ALA A 73 13.473 6.159 -13.529 1.00 43.44 H new ATOM 0 HB3 ALA A 73 14.413 6.969 -14.805 1.00 43.44 H new ATOM 1123 N LEU A 74 16.292 8.990 -12.293 1.00 13.20 N ATOM 1124 CA LEU A 74 17.482 9.820 -12.361 1.00 44.13 C ATOM 1125 C LEU A 74 18.616 9.025 -13.012 1.00 41.33 C ATOM 1126 O LEU A 74 18.610 7.796 -12.989 1.00 74.54 O ATOM 1127 CB LEU A 74 17.833 10.370 -10.977 1.00 33.41 C ATOM 1128 CG LEU A 74 19.119 11.193 -10.888 1.00 24.31 C ATOM 1129 CD1 LEU A 74 19.109 12.095 -9.652 1.00 73.32 C ATOM 1130 CD2 LEU A 74 20.353 10.288 -10.927 1.00 13.14 C ATOM 0 H LEU A 74 16.257 8.360 -11.491 1.00 13.20 H new ATOM 0 HA LEU A 74 17.302 10.693 -12.989 1.00 44.13 H new ATOM 0 HB2 LEU A 74 17.004 10.989 -10.633 1.00 33.41 H new ATOM 0 HB3 LEU A 74 17.913 9.532 -10.285 1.00 33.41 H new ATOM 0 HG LEU A 74 19.169 11.844 -11.761 1.00 24.31 H new ATOM 0 HD11 LEU A 74 20.035 12.669 -9.613 1.00 73.32 H new ATOM 0 HD12 LEU A 74 18.261 12.777 -9.706 1.00 73.32 H new ATOM 0 HD13 LEU A 74 19.024 11.482 -8.755 1.00 73.32 H new ATOM 0 HD21 LEU A 74 21.254 10.898 -10.862 1.00 13.14 H new ATOM 0 HD22 LEU A 74 20.323 9.595 -10.086 1.00 13.14 H new ATOM 0 HD23 LEU A 74 20.362 9.725 -11.861 1.00 13.14 H new ATOM 1142 N VAL A 75 19.562 9.760 -13.578 1.00 5.34 N ATOM 1143 CA VAL A 75 20.700 9.139 -14.234 1.00 5.40 C ATOM 1144 C VAL A 75 21.909 10.074 -14.143 1.00 34.34 C ATOM 1145 O VAL A 75 21.840 11.226 -14.566 1.00 52.42 O ATOM 1146 CB VAL A 75 20.337 8.771 -15.674 1.00 2.01 C ATOM 1147 CG1 VAL A 75 21.540 8.175 -16.407 1.00 62.14 C ATOM 1148 CG2 VAL A 75 19.143 7.815 -15.711 1.00 24.34 C ATOM 0 H VAL A 75 19.564 10.780 -13.596 1.00 5.34 H new ATOM 0 HA VAL A 75 20.969 8.209 -13.732 1.00 5.40 H new ATOM 0 HB VAL A 75 20.049 9.686 -16.192 1.00 2.01 H new ATOM 0 HG11 VAL A 75 21.255 7.922 -17.428 1.00 62.14 H new ATOM 0 HG12 VAL A 75 22.351 8.903 -16.426 1.00 62.14 H new ATOM 0 HG13 VAL A 75 21.872 7.275 -15.890 1.00 62.14 H new ATOM 0 HG21 VAL A 75 18.906 7.569 -16.746 1.00 24.34 H new ATOM 0 HG22 VAL A 75 19.391 6.902 -15.169 1.00 24.34 H new ATOM 0 HG23 VAL A 75 18.281 8.291 -15.244 1.00 24.34 H new ATOM 1158 N TYR A 76 22.987 9.542 -13.587 1.00 22.51 N ATOM 1159 CA TYR A 76 24.209 10.313 -13.434 1.00 52.45 C ATOM 1160 C TYR A 76 25.106 10.169 -14.665 1.00 61.53 C ATOM 1161 O TYR A 76 25.669 9.102 -14.905 1.00 64.32 O ATOM 1162 CB TYR A 76 24.930 9.725 -12.220 1.00 43.42 C ATOM 1163 CG TYR A 76 26.227 10.451 -11.855 1.00 61.25 C ATOM 1164 CD1 TYR A 76 26.187 11.576 -11.058 1.00 4.23 C ATOM 1165 CD2 TYR A 76 27.437 9.980 -12.324 1.00 73.43 C ATOM 1166 CE1 TYR A 76 27.408 12.259 -10.715 1.00 31.15 C ATOM 1167 CE2 TYR A 76 28.657 10.662 -11.981 1.00 42.31 C ATOM 1168 CZ TYR A 76 28.583 11.768 -11.193 1.00 54.32 C ATOM 1169 OH TYR A 76 29.735 12.413 -10.869 1.00 44.11 O ATOM 0 H TYR A 76 23.040 8.586 -13.237 1.00 22.51 H new ATOM 0 HA TYR A 76 23.982 11.372 -13.312 1.00 52.45 H new ATOM 0 HB2 TYR A 76 24.257 9.751 -11.363 1.00 43.42 H new ATOM 0 HB3 TYR A 76 25.155 8.677 -12.416 1.00 43.42 H new ATOM 0 HD1 TYR A 76 25.240 11.945 -10.691 1.00 4.23 H new ATOM 0 HD2 TYR A 76 27.468 9.099 -12.949 1.00 73.43 H new ATOM 0 HE1 TYR A 76 27.391 13.141 -10.092 1.00 31.15 H new ATOM 0 HE2 TYR A 76 29.610 10.304 -12.341 1.00 42.31 H new ATOM 0 HH TYR A 76 29.529 13.186 -10.303 1.00 44.11 H new ATOM 1179 N HIS A 77 25.211 11.257 -15.413 1.00 0.30 N ATOM 1180 CA HIS A 77 26.030 11.265 -16.613 1.00 62.01 C ATOM 1181 C HIS A 77 27.495 11.038 -16.236 1.00 24.42 C ATOM 1182 O HIS A 77 27.900 11.316 -15.108 1.00 43.02 O ATOM 1183 CB HIS A 77 25.816 12.554 -17.409 1.00 10.13 C ATOM 1184 CG HIS A 77 25.767 12.352 -18.904 1.00 73.44 C ATOM 1185 ND1 HIS A 77 26.899 12.130 -19.669 1.00 21.24 N ATOM 1186 CD2 HIS A 77 24.711 12.339 -19.768 1.00 31.22 C ATOM 1187 CE1 HIS A 77 26.530 11.992 -20.933 1.00 53.14 C ATOM 1188 NE2 HIS A 77 25.173 12.122 -20.993 1.00 2.41 N ATOM 0 H HIS A 77 24.742 12.140 -15.211 1.00 0.30 H new ATOM 0 HA HIS A 77 25.728 10.448 -17.268 1.00 62.01 H new ATOM 0 HB2 HIS A 77 24.885 13.019 -17.085 1.00 10.13 H new ATOM 0 HB3 HIS A 77 26.619 13.252 -17.173 1.00 10.13 H new ATOM 0 HD2 HIS A 77 23.674 12.481 -19.500 1.00 31.22 H new ATOM 0 HE1 HIS A 77 27.188 11.809 -21.770 1.00 53.14 H new ATOM 0 HE2 HIS A 77 24.607 12.062 -21.840 1.00 2.41 H new ATOM 1196 N LYS A 78 28.250 10.534 -17.201 1.00 22.40 N ATOM 1197 CA LYS A 78 29.662 10.265 -16.984 1.00 52.54 C ATOM 1198 C LYS A 78 30.494 11.183 -17.882 1.00 63.34 C ATOM 1199 O LYS A 78 31.498 11.742 -17.444 1.00 64.11 O ATOM 1200 CB LYS A 78 29.961 8.778 -17.179 1.00 74.42 C ATOM 1201 CG LYS A 78 29.954 8.407 -18.664 1.00 21.13 C ATOM 1202 CD LYS A 78 29.745 6.903 -18.852 1.00 62.02 C ATOM 1203 CE LYS A 78 30.913 6.109 -18.264 1.00 3.22 C ATOM 1204 NZ LYS A 78 30.445 4.805 -17.746 1.00 35.54 N ATOM 0 H LYS A 78 27.911 10.305 -18.135 1.00 22.40 H new ATOM 0 HA LYS A 78 29.939 10.489 -15.954 1.00 52.54 H new ATOM 0 HB2 LYS A 78 30.932 8.539 -16.745 1.00 74.42 H new ATOM 0 HB3 LYS A 78 29.219 8.182 -16.648 1.00 74.42 H new ATOM 0 HG2 LYS A 78 29.163 8.955 -19.176 1.00 21.13 H new ATOM 0 HG3 LYS A 78 30.897 8.707 -19.122 1.00 21.13 H new ATOM 0 HD2 LYS A 78 28.815 6.599 -18.371 1.00 62.02 H new ATOM 0 HD3 LYS A 78 29.644 6.676 -19.913 1.00 62.02 H new ATOM 0 HE2 LYS A 78 31.674 5.951 -19.028 1.00 3.22 H new ATOM 0 HE3 LYS A 78 31.380 6.679 -17.461 1.00 3.22 H new ATOM 0 HZ1 LYS A 78 30.866 4.632 -16.811 1.00 35.54 H new ATOM 0 HZ2 LYS A 78 29.408 4.817 -17.662 1.00 35.54 H new ATOM 0 HZ3 LYS A 78 30.731 4.049 -18.400 1.00 35.54 H new ATOM 1217 N HIS A 79 30.046 11.309 -19.123 1.00 23.21 N ATOM 1218 CA HIS A 79 30.737 12.149 -20.086 1.00 64.45 C ATOM 1219 C HIS A 79 30.485 13.621 -19.758 1.00 2.44 C ATOM 1220 O HIS A 79 31.135 14.506 -20.313 1.00 63.52 O ATOM 1221 CB HIS A 79 30.332 11.782 -21.516 1.00 10.34 C ATOM 1222 CG HIS A 79 30.102 10.305 -21.729 1.00 54.21 C ATOM 1223 ND1 HIS A 79 31.117 9.430 -22.072 1.00 22.11 N ATOM 1224 CD2 HIS A 79 28.963 9.559 -21.644 1.00 13.41 C ATOM 1225 CE1 HIS A 79 30.601 8.215 -22.186 1.00 64.13 C ATOM 1226 NE2 HIS A 79 29.266 8.297 -21.921 1.00 50.42 N ATOM 0 H HIS A 79 29.213 10.843 -19.483 1.00 23.21 H new ATOM 0 HA HIS A 79 31.811 11.977 -20.019 1.00 64.45 H new ATOM 0 HB2 HIS A 79 29.421 12.322 -21.775 1.00 10.34 H new ATOM 0 HB3 HIS A 79 31.109 12.121 -22.201 1.00 10.34 H new ATOM 0 HD1 HIS A 79 32.096 9.678 -22.213 1.00 22.11 H new ATOM 0 HD2 HIS A 79 27.981 9.932 -21.394 1.00 13.41 H new ATOM 0 HE1 HIS A 79 31.143 7.317 -22.444 1.00 64.13 H new ATOM 1234 N LEU A 80 29.540 13.840 -18.856 1.00 34.44 N ATOM 1235 CA LEU A 80 29.193 15.190 -18.446 1.00 22.00 C ATOM 1236 C LEU A 80 29.517 15.367 -16.961 1.00 61.31 C ATOM 1237 O LEU A 80 29.788 16.478 -16.509 1.00 51.22 O ATOM 1238 CB LEU A 80 27.737 15.500 -18.799 1.00 2.20 C ATOM 1239 CG LEU A 80 27.346 15.306 -20.265 1.00 65.45 C ATOM 1240 CD1 LEU A 80 25.873 15.649 -20.490 1.00 53.14 C ATOM 1241 CD2 LEU A 80 28.269 16.104 -21.189 1.00 54.01 C ATOM 0 H LEU A 80 29.003 13.104 -18.397 1.00 34.44 H new ATOM 0 HA LEU A 80 29.791 15.919 -18.992 1.00 22.00 H new ATOM 0 HB2 LEU A 80 27.093 14.870 -18.186 1.00 2.20 H new ATOM 0 HB3 LEU A 80 27.529 16.533 -18.522 1.00 2.20 H new ATOM 0 HG LEU A 80 27.472 14.253 -20.516 1.00 65.45 H new ATOM 0 HD11 LEU A 80 25.622 15.502 -21.540 1.00 53.14 H new ATOM 0 HD12 LEU A 80 25.250 15.000 -19.874 1.00 53.14 H new ATOM 0 HD13 LEU A 80 25.696 16.689 -20.216 1.00 53.14 H new ATOM 0 HD21 LEU A 80 27.969 15.948 -22.225 1.00 54.01 H new ATOM 0 HD22 LEU A 80 28.199 17.164 -20.946 1.00 54.01 H new ATOM 0 HD23 LEU A 80 29.297 15.768 -21.054 1.00 54.01 H new ATOM 1253 N LYS A 81 29.479 14.254 -16.243 1.00 74.23 N ATOM 1254 CA LYS A 81 29.765 14.272 -14.819 1.00 34.32 C ATOM 1255 C LYS A 81 28.650 15.024 -14.089 1.00 3.13 C ATOM 1256 O LYS A 81 28.910 15.742 -13.125 1.00 11.54 O ATOM 1257 CB LYS A 81 31.162 14.839 -14.560 1.00 12.10 C ATOM 1258 CG LYS A 81 32.243 13.907 -15.112 1.00 12.43 C ATOM 1259 CD LYS A 81 32.595 14.270 -16.556 1.00 14.32 C ATOM 1260 CE LYS A 81 33.355 15.596 -16.618 1.00 44.21 C ATOM 1261 NZ LYS A 81 34.815 15.359 -16.567 1.00 24.21 N ATOM 0 H LYS A 81 29.254 13.334 -16.621 1.00 74.23 H new ATOM 0 HA LYS A 81 29.780 13.258 -14.420 1.00 34.32 H new ATOM 0 HB2 LYS A 81 31.252 15.821 -15.024 1.00 12.10 H new ATOM 0 HB3 LYS A 81 31.309 14.978 -13.489 1.00 12.10 H new ATOM 0 HG2 LYS A 81 33.135 13.971 -14.489 1.00 12.43 H new ATOM 0 HG3 LYS A 81 31.896 12.875 -15.067 1.00 12.43 H new ATOM 0 HD2 LYS A 81 33.201 13.478 -16.996 1.00 14.32 H new ATOM 0 HD3 LYS A 81 31.683 14.341 -17.149 1.00 14.32 H new ATOM 0 HE2 LYS A 81 33.098 16.127 -17.535 1.00 44.21 H new ATOM 0 HE3 LYS A 81 33.055 16.233 -15.786 1.00 44.21 H new ATOM 0 HZ1 LYS A 81 35.316 16.269 -16.610 1.00 24.21 H new ATOM 0 HZ2 LYS A 81 35.057 14.872 -15.680 1.00 24.21 H new ATOM 0 HZ3 LYS A 81 35.099 14.769 -17.375 1.00 24.21 H new ATOM 1274 N ARG A 82 27.433 14.833 -14.576 1.00 43.44 N ATOM 1275 CA ARG A 82 26.278 15.485 -13.982 1.00 44.13 C ATOM 1276 C ARG A 82 25.152 14.473 -13.763 1.00 62.00 C ATOM 1277 O ARG A 82 25.380 13.265 -13.811 1.00 41.24 O ATOM 1278 CB ARG A 82 25.768 16.620 -14.872 1.00 44.41 C ATOM 1279 CG ARG A 82 26.720 16.868 -16.044 1.00 4.50 C ATOM 1280 CD ARG A 82 26.079 17.787 -17.086 1.00 63.03 C ATOM 1281 NE ARG A 82 27.056 18.805 -17.533 1.00 63.22 N ATOM 1282 CZ ARG A 82 26.875 19.611 -18.601 1.00 71.41 C ATOM 1283 NH1 ARG A 82 25.750 19.524 -19.342 1.00 34.43 N ATOM 1284 NH2 ARG A 82 27.814 20.485 -18.910 1.00 64.22 N ATOM 0 H ARG A 82 27.221 14.236 -15.375 1.00 43.44 H new ATOM 0 HA ARG A 82 26.589 15.901 -13.024 1.00 44.13 H new ATOM 0 HB2 ARG A 82 24.776 16.372 -15.251 1.00 44.41 H new ATOM 0 HB3 ARG A 82 25.666 17.531 -14.283 1.00 44.41 H new ATOM 0 HG2 ARG A 82 27.644 17.316 -15.678 1.00 4.50 H new ATOM 0 HG3 ARG A 82 26.988 15.918 -16.507 1.00 4.50 H new ATOM 0 HD2 ARG A 82 25.737 17.201 -17.939 1.00 63.03 H new ATOM 0 HD3 ARG A 82 25.201 18.275 -16.662 1.00 63.03 H new ATOM 0 HE ARG A 82 27.920 18.904 -17.001 1.00 63.22 H new ATOM 0 HH11 ARG A 82 25.029 18.846 -19.097 1.00 34.43 H new ATOM 0 HH12 ARG A 82 25.621 20.137 -20.147 1.00 34.43 H new ATOM 0 HH21 ARG A 82 28.661 20.544 -18.345 1.00 64.22 H new ATOM 0 HH22 ARG A 82 27.693 21.101 -19.714 1.00 64.22 H new ATOM 1297 N VAL A 83 23.961 15.003 -13.527 1.00 1.04 N ATOM 1298 CA VAL A 83 22.799 14.161 -13.300 1.00 31.13 C ATOM 1299 C VAL A 83 21.741 14.462 -14.364 1.00 22.35 C ATOM 1300 O VAL A 83 21.827 15.470 -15.062 1.00 45.41 O ATOM 1301 CB VAL A 83 22.283 14.354 -11.872 1.00 41.43 C ATOM 1302 CG1 VAL A 83 21.087 13.442 -11.593 1.00 62.02 C ATOM 1303 CG2 VAL A 83 23.398 14.125 -10.851 1.00 25.35 C ATOM 0 H VAL A 83 23.776 16.005 -13.488 1.00 1.04 H new ATOM 0 HA VAL A 83 23.066 13.108 -13.395 1.00 31.13 H new ATOM 0 HB VAL A 83 21.946 15.386 -11.774 1.00 41.43 H new ATOM 0 HG11 VAL A 83 20.740 13.599 -10.572 1.00 62.02 H new ATOM 0 HG12 VAL A 83 20.282 13.675 -12.290 1.00 62.02 H new ATOM 0 HG13 VAL A 83 21.386 12.401 -11.719 1.00 62.02 H new ATOM 0 HG21 VAL A 83 23.005 14.268 -9.845 1.00 25.35 H new ATOM 0 HG22 VAL A 83 23.779 13.109 -10.950 1.00 25.35 H new ATOM 0 HG23 VAL A 83 24.206 14.835 -11.029 1.00 25.35 H new ATOM 1313 N PHE A 84 20.767 13.568 -14.453 1.00 62.11 N ATOM 1314 CA PHE A 84 19.694 13.725 -15.420 1.00 31.11 C ATOM 1315 C PHE A 84 18.375 13.178 -14.869 1.00 65.42 C ATOM 1316 O PHE A 84 18.375 12.283 -14.025 1.00 11.44 O ATOM 1317 CB PHE A 84 20.088 12.920 -16.660 1.00 50.41 C ATOM 1318 CG PHE A 84 20.924 13.707 -17.672 1.00 24.51 C ATOM 1319 CD1 PHE A 84 22.276 13.764 -17.537 1.00 45.45 C ATOM 1320 CD2 PHE A 84 20.316 14.347 -18.706 1.00 13.34 C ATOM 1321 CE1 PHE A 84 23.053 14.494 -18.476 1.00 72.15 C ATOM 1322 CE2 PHE A 84 21.092 15.077 -19.645 1.00 31.25 C ATOM 1323 CZ PHE A 84 22.444 15.135 -19.510 1.00 61.32 C ATOM 0 H PHE A 84 20.699 12.733 -13.871 1.00 62.11 H new ATOM 0 HA PHE A 84 19.551 14.781 -15.649 1.00 31.11 H new ATOM 0 HB2 PHE A 84 20.649 12.040 -16.346 1.00 50.41 H new ATOM 0 HB3 PHE A 84 19.183 12.562 -17.151 1.00 50.41 H new ATOM 0 HD1 PHE A 84 22.759 13.254 -16.716 1.00 45.45 H new ATOM 0 HD2 PHE A 84 19.242 14.300 -18.813 1.00 13.34 H new ATOM 0 HE1 PHE A 84 24.127 14.540 -18.369 1.00 72.15 H new ATOM 0 HE2 PHE A 84 20.609 15.586 -20.466 1.00 31.25 H new ATOM 0 HZ PHE A 84 23.034 15.690 -20.224 1.00 61.32 H new ATOM 1333 N LEU A 85 17.284 13.738 -15.370 1.00 61.50 N ATOM 1334 CA LEU A 85 15.962 13.317 -14.939 1.00 31.22 C ATOM 1335 C LEU A 85 15.143 12.892 -16.160 1.00 22.15 C ATOM 1336 O LEU A 85 14.692 13.735 -16.933 1.00 12.32 O ATOM 1337 CB LEU A 85 15.297 14.413 -14.103 1.00 72.35 C ATOM 1338 CG LEU A 85 13.889 14.103 -13.590 1.00 1.41 C ATOM 1339 CD1 LEU A 85 13.673 12.595 -13.458 1.00 73.45 C ATOM 1340 CD2 LEU A 85 13.610 14.839 -12.278 1.00 23.14 C ATOM 0 H LEU A 85 17.288 14.480 -16.070 1.00 61.50 H new ATOM 0 HA LEU A 85 16.033 12.448 -14.285 1.00 31.22 H new ATOM 0 HB2 LEU A 85 15.936 14.627 -13.246 1.00 72.35 H new ATOM 0 HB3 LEU A 85 15.252 15.323 -14.702 1.00 72.35 H new ATOM 0 HG LEU A 85 13.170 14.468 -14.324 1.00 1.41 H new ATOM 0 HD11 LEU A 85 12.665 12.403 -13.092 1.00 73.45 H new ATOM 0 HD12 LEU A 85 13.802 12.122 -14.432 1.00 73.45 H new ATOM 0 HD13 LEU A 85 14.399 12.184 -12.756 1.00 73.45 H new ATOM 0 HD21 LEU A 85 12.603 14.602 -11.935 1.00 23.14 H new ATOM 0 HD22 LEU A 85 14.333 14.527 -11.525 1.00 23.14 H new ATOM 0 HD23 LEU A 85 13.695 15.914 -12.439 1.00 23.14 H new ATOM 1352 N ILE A 86 14.977 11.584 -16.295 1.00 13.55 N ATOM 1353 CA ILE A 86 14.220 11.037 -17.408 1.00 43.41 C ATOM 1354 C ILE A 86 12.745 10.937 -17.016 1.00 72.13 C ATOM 1355 O ILE A 86 12.376 10.115 -16.179 1.00 11.24 O ATOM 1356 CB ILE A 86 14.827 9.710 -17.867 1.00 33.32 C ATOM 1357 CG1 ILE A 86 16.305 9.620 -17.481 1.00 74.41 C ATOM 1358 CG2 ILE A 86 14.612 9.498 -19.367 1.00 11.11 C ATOM 1359 CD1 ILE A 86 17.047 8.632 -18.383 1.00 23.31 C ATOM 0 H ILE A 86 15.354 10.888 -15.652 1.00 13.55 H new ATOM 0 HA ILE A 86 14.276 11.701 -18.270 1.00 43.41 H new ATOM 0 HB ILE A 86 14.310 8.901 -17.350 1.00 33.32 H new ATOM 0 HG12 ILE A 86 16.765 10.605 -17.558 1.00 74.41 H new ATOM 0 HG13 ILE A 86 16.395 9.307 -16.441 1.00 74.41 H new ATOM 0 HG21 ILE A 86 15.053 8.547 -19.667 1.00 11.11 H new ATOM 0 HG22 ILE A 86 13.544 9.487 -19.583 1.00 11.11 H new ATOM 0 HG23 ILE A 86 15.086 10.309 -19.921 1.00 11.11 H new ATOM 0 HD11 ILE A 86 18.095 8.587 -18.088 1.00 23.31 H new ATOM 0 HD12 ILE A 86 16.599 7.643 -18.285 1.00 23.31 H new ATOM 0 HD13 ILE A 86 16.976 8.962 -19.420 1.00 23.31 H new ATOM 1371 N ASP A 87 11.941 11.785 -17.641 1.00 34.51 N ATOM 1372 CA ASP A 87 10.513 11.801 -17.368 1.00 5.40 C ATOM 1373 C ASP A 87 9.861 10.577 -18.013 1.00 32.15 C ATOM 1374 O ASP A 87 9.286 10.673 -19.096 1.00 5.21 O ATOM 1375 CB ASP A 87 9.855 13.052 -17.955 1.00 23.32 C ATOM 1376 CG ASP A 87 10.603 14.360 -17.691 1.00 41.33 C ATOM 1377 OD1 ASP A 87 10.105 15.453 -17.998 1.00 50.55 O ATOM 1378 OD2 ASP A 87 11.761 14.225 -17.139 1.00 31.23 O ATOM 0 H ASP A 87 12.251 12.465 -18.335 1.00 34.51 H new ATOM 0 HA ASP A 87 10.376 11.794 -16.287 1.00 5.40 H new ATOM 0 HB2 ASP A 87 9.754 12.920 -19.032 1.00 23.32 H new ATOM 0 HB3 ASP A 87 8.847 13.139 -17.549 1.00 23.32 H new ATOM 1384 N LEU A 88 9.971 9.453 -17.319 1.00 0.52 N ATOM 1385 CA LEU A 88 9.399 8.211 -17.810 1.00 12.41 C ATOM 1386 C LEU A 88 7.896 8.398 -18.028 1.00 10.40 C ATOM 1387 O LEU A 88 7.092 8.056 -17.162 1.00 42.30 O ATOM 1388 CB LEU A 88 9.745 7.054 -16.871 1.00 34.00 C ATOM 1389 CG LEU A 88 11.220 6.917 -16.491 1.00 23.14 C ATOM 1390 CD1 LEU A 88 11.481 5.590 -15.775 1.00 11.35 C ATOM 1391 CD2 LEU A 88 12.121 7.094 -17.715 1.00 12.02 C ATOM 0 H LEU A 88 10.448 9.377 -16.421 1.00 0.52 H new ATOM 0 HA LEU A 88 9.831 7.948 -18.775 1.00 12.41 H new ATOM 0 HB2 LEU A 88 9.164 7.169 -15.956 1.00 34.00 H new ATOM 0 HB3 LEU A 88 9.423 6.124 -17.339 1.00 34.00 H new ATOM 0 HG LEU A 88 11.467 7.715 -15.791 1.00 23.14 H new ATOM 0 HD11 LEU A 88 12.537 5.518 -15.516 1.00 11.35 H new ATOM 0 HD12 LEU A 88 10.880 5.542 -14.867 1.00 11.35 H new ATOM 0 HD13 LEU A 88 11.211 4.763 -16.432 1.00 11.35 H new ATOM 0 HD21 LEU A 88 13.164 6.992 -17.417 1.00 12.02 H new ATOM 0 HD22 LEU A 88 11.880 6.333 -18.457 1.00 12.02 H new ATOM 0 HD23 LEU A 88 11.962 8.083 -18.144 1.00 12.02 H new ATOM 1403 N ASN A 89 7.562 8.941 -19.190 1.00 30.14 N ATOM 1404 CA ASN A 89 6.170 9.178 -19.532 1.00 71.44 C ATOM 1405 C ASN A 89 5.412 9.631 -18.283 1.00 54.24 C ATOM 1406 O ASN A 89 4.342 9.106 -17.977 1.00 43.02 O ATOM 1407 CB ASN A 89 5.506 7.901 -20.051 1.00 73.31 C ATOM 1408 CG ASN A 89 6.514 7.019 -20.790 1.00 44.35 C ATOM 1409 OD1 ASN A 89 6.575 6.988 -22.009 1.00 1.34 O ATOM 1410 ND2 ASN A 89 7.300 6.307 -19.988 1.00 62.33 N ATOM 0 H ASN A 89 8.231 9.223 -19.906 1.00 30.14 H new ATOM 0 HA ASN A 89 6.139 9.942 -20.308 1.00 71.44 H new ATOM 0 HB2 ASN A 89 5.075 7.347 -19.217 1.00 73.31 H new ATOM 0 HB3 ASN A 89 4.685 8.160 -20.720 1.00 73.31 H new ATOM 0 HD21 ASN A 89 8.007 5.688 -20.385 1.00 62.33 H new ATOM 0 HD22 ASN A 89 7.196 6.380 -18.976 1.00 62.33 H new ATOM 1417 N SER A 90 5.995 10.602 -17.596 1.00 20.22 N ATOM 1418 CA SER A 90 5.388 11.132 -16.387 1.00 13.10 C ATOM 1419 C SER A 90 3.936 11.529 -16.661 1.00 52.05 C ATOM 1420 O SER A 90 3.645 12.180 -17.664 1.00 63.21 O ATOM 1421 CB SER A 90 6.175 12.332 -15.856 1.00 34.11 C ATOM 1422 OG SER A 90 5.353 13.215 -15.097 1.00 5.30 O ATOM 0 H SER A 90 6.882 11.036 -17.854 1.00 20.22 H new ATOM 0 HA SER A 90 5.407 10.353 -15.625 1.00 13.10 H new ATOM 0 HB2 SER A 90 6.999 11.980 -15.235 1.00 34.11 H new ATOM 0 HB3 SER A 90 6.616 12.875 -16.692 1.00 34.11 H new ATOM 0 HG SER A 90 5.871 13.584 -14.351 1.00 5.30 H new ATOM 1428 N THR A 91 3.062 11.120 -15.753 1.00 4.41 N ATOM 1429 CA THR A 91 1.648 11.425 -15.884 1.00 53.25 C ATOM 1430 C THR A 91 1.456 12.833 -16.453 1.00 61.51 C ATOM 1431 O THR A 91 0.669 13.031 -17.377 1.00 71.33 O ATOM 1432 CB THR A 91 0.992 11.228 -14.516 1.00 44.31 C ATOM 1433 OG1 THR A 91 -0.049 12.200 -14.487 1.00 11.42 O ATOM 1434 CG2 THR A 91 1.912 11.633 -13.363 1.00 5.15 C ATOM 0 H THR A 91 3.306 10.580 -14.923 1.00 4.41 H new ATOM 0 HA THR A 91 1.163 10.753 -16.592 1.00 53.25 H new ATOM 0 HB THR A 91 0.701 10.184 -14.399 1.00 44.31 H new ATOM 0 HG1 THR A 91 -0.423 12.252 -13.583 1.00 11.42 H new ATOM 0 HG21 THR A 91 1.399 11.474 -12.415 1.00 5.15 H new ATOM 0 HG22 THR A 91 2.818 11.028 -13.391 1.00 5.15 H new ATOM 0 HG23 THR A 91 2.176 12.686 -13.460 1.00 5.15 H new ATOM 1442 N HIS A 92 2.189 13.774 -15.877 1.00 63.20 N ATOM 1443 CA HIS A 92 2.110 15.157 -16.315 1.00 10.01 C ATOM 1444 C HIS A 92 3.411 15.548 -17.018 1.00 4.22 C ATOM 1445 O HIS A 92 3.387 16.078 -18.128 1.00 11.35 O ATOM 1446 CB HIS A 92 1.769 16.079 -15.143 1.00 11.13 C ATOM 1447 CG HIS A 92 0.969 15.412 -14.049 1.00 53.13 C ATOM 1448 ND1 HIS A 92 -0.391 15.612 -13.887 1.00 72.44 N ATOM 1449 CD2 HIS A 92 1.351 14.547 -13.067 1.00 32.33 C ATOM 1450 CE1 HIS A 92 -0.799 14.895 -12.850 1.00 65.44 C ATOM 1451 NE2 HIS A 92 0.283 14.236 -12.343 1.00 34.22 N ATOM 0 H HIS A 92 2.841 13.606 -15.111 1.00 63.20 H new ATOM 0 HA HIS A 92 1.301 15.268 -17.037 1.00 10.01 H new ATOM 0 HB2 HIS A 92 2.695 16.466 -14.717 1.00 11.13 H new ATOM 0 HB3 HIS A 92 1.208 16.935 -15.519 1.00 11.13 H new ATOM 0 HD1 HIS A 92 -0.979 16.210 -14.467 1.00 72.44 H new ATOM 0 HD2 HIS A 92 2.353 14.177 -12.906 1.00 32.33 H new ATOM 0 HE1 HIS A 92 -1.810 14.842 -12.473 1.00 65.44 H new ATOM 1459 N GLY A 93 4.517 15.272 -16.343 1.00 23.44 N ATOM 1460 CA GLY A 93 5.826 15.588 -16.888 1.00 63.14 C ATOM 1461 C GLY A 93 6.777 16.069 -15.790 1.00 54.11 C ATOM 1462 O GLY A 93 6.373 16.221 -14.638 1.00 4.00 O ATOM 0 H GLY A 93 4.533 14.833 -15.423 1.00 23.44 H new ATOM 0 HA2 GLY A 93 6.243 14.707 -17.375 1.00 63.14 H new ATOM 0 HA3 GLY A 93 5.729 16.359 -17.653 1.00 63.14 H new ATOM 1466 N THR A 94 8.021 16.296 -16.186 1.00 34.43 N ATOM 1467 CA THR A 94 9.032 16.757 -15.249 1.00 74.53 C ATOM 1468 C THR A 94 9.583 18.115 -15.686 1.00 63.01 C ATOM 1469 O THR A 94 9.547 18.453 -16.868 1.00 62.33 O ATOM 1470 CB THR A 94 10.105 15.671 -15.140 1.00 54.51 C ATOM 1471 OG1 THR A 94 9.377 14.451 -15.248 1.00 53.22 O ATOM 1472 CG2 THR A 94 10.734 15.608 -13.747 1.00 34.13 C ATOM 0 H THR A 94 8.352 16.169 -17.143 1.00 34.43 H new ATOM 0 HA THR A 94 8.610 16.917 -14.257 1.00 74.53 H new ATOM 0 HB THR A 94 10.883 15.853 -15.882 1.00 54.51 H new ATOM 0 HG1 THR A 94 9.966 13.698 -15.031 1.00 53.22 H new ATOM 0 HG21 THR A 94 11.488 14.822 -13.724 1.00 34.13 H new ATOM 0 HG22 THR A 94 11.201 16.565 -13.515 1.00 34.13 H new ATOM 0 HG23 THR A 94 9.962 15.392 -13.009 1.00 34.13 H new ATOM 1480 N PHE A 95 10.081 18.858 -14.708 1.00 64.44 N ATOM 1481 CA PHE A 95 10.640 20.172 -14.977 1.00 60.21 C ATOM 1482 C PHE A 95 11.945 20.381 -14.205 1.00 54.25 C ATOM 1483 O PHE A 95 12.218 19.673 -13.237 1.00 51.35 O ATOM 1484 CB PHE A 95 9.611 21.200 -14.504 1.00 51.41 C ATOM 1485 CG PHE A 95 8.578 21.582 -15.567 1.00 64.50 C ATOM 1486 CD1 PHE A 95 7.681 20.658 -16.005 1.00 42.25 C ATOM 1487 CD2 PHE A 95 8.558 22.844 -16.073 1.00 73.32 C ATOM 1488 CE1 PHE A 95 6.723 21.012 -16.992 1.00 31.02 C ATOM 1489 CE2 PHE A 95 7.599 23.197 -17.060 1.00 4.44 C ATOM 1490 CZ PHE A 95 6.702 22.274 -17.498 1.00 42.20 C ATOM 0 H PHE A 95 10.109 18.575 -13.728 1.00 64.44 H new ATOM 0 HA PHE A 95 10.858 20.274 -16.040 1.00 60.21 H new ATOM 0 HB2 PHE A 95 9.090 20.803 -13.632 1.00 51.41 H new ATOM 0 HB3 PHE A 95 10.134 22.100 -14.180 1.00 51.41 H new ATOM 0 HD1 PHE A 95 7.697 19.656 -15.603 1.00 42.25 H new ATOM 0 HD2 PHE A 95 9.270 23.577 -15.725 1.00 73.32 H new ATOM 0 HE1 PHE A 95 6.011 20.279 -17.341 1.00 31.02 H new ATOM 0 HE2 PHE A 95 7.583 24.199 -17.463 1.00 4.44 H new ATOM 0 HZ PHE A 95 5.973 22.543 -18.248 1.00 42.20 H new ATOM 1500 N LEU A 96 12.715 21.357 -14.663 1.00 63.22 N ATOM 1501 CA LEU A 96 13.985 21.668 -14.028 1.00 54.41 C ATOM 1502 C LEU A 96 13.931 23.089 -13.462 1.00 24.45 C ATOM 1503 O LEU A 96 14.793 23.913 -13.763 1.00 13.54 O ATOM 1504 CB LEU A 96 15.142 21.438 -15.002 1.00 31.41 C ATOM 1505 CG LEU A 96 16.541 21.746 -14.466 1.00 24.45 C ATOM 1506 CD1 LEU A 96 16.720 21.194 -13.050 1.00 34.12 C ATOM 1507 CD2 LEU A 96 17.620 21.232 -15.421 1.00 61.30 C ATOM 0 H LEU A 96 12.484 21.943 -15.466 1.00 63.22 H new ATOM 0 HA LEU A 96 14.167 20.996 -13.189 1.00 54.41 H new ATOM 0 HB2 LEU A 96 15.119 20.397 -15.323 1.00 31.41 H new ATOM 0 HB3 LEU A 96 14.971 22.049 -15.888 1.00 31.41 H new ATOM 0 HG LEU A 96 16.652 22.829 -14.406 1.00 24.45 H new ATOM 0 HD11 LEU A 96 17.723 21.427 -12.693 1.00 34.12 H new ATOM 0 HD12 LEU A 96 15.984 21.648 -12.387 1.00 34.12 H new ATOM 0 HD13 LEU A 96 16.580 20.113 -13.061 1.00 34.12 H new ATOM 0 HD21 LEU A 96 18.605 21.464 -15.016 1.00 61.30 H new ATOM 0 HD22 LEU A 96 17.520 20.153 -15.536 1.00 61.30 H new ATOM 0 HD23 LEU A 96 17.505 21.713 -16.393 1.00 61.30 H new ATOM 1519 N GLY A 97 12.911 23.330 -12.651 1.00 45.42 N ATOM 1520 CA GLY A 97 12.735 24.637 -12.040 1.00 33.42 C ATOM 1521 C GLY A 97 11.781 25.503 -12.864 1.00 54.33 C ATOM 1522 O GLY A 97 10.692 25.845 -12.404 1.00 44.30 O ATOM 0 H GLY A 97 12.199 22.643 -12.403 1.00 45.42 H new ATOM 0 HA2 GLY A 97 12.345 24.520 -11.029 1.00 33.42 H new ATOM 0 HA3 GLY A 97 13.701 25.135 -11.953 1.00 33.42 H new ATOM 1526 N HIS A 98 12.223 25.834 -14.069 1.00 24.45 N ATOM 1527 CA HIS A 98 11.422 26.654 -14.961 1.00 65.24 C ATOM 1528 C HIS A 98 11.441 26.050 -16.367 1.00 54.32 C ATOM 1529 O HIS A 98 10.983 26.677 -17.322 1.00 21.13 O ATOM 1530 CB HIS A 98 11.896 28.108 -14.934 1.00 44.33 C ATOM 1531 CG HIS A 98 12.902 28.447 -16.009 1.00 20.41 C ATOM 1532 ND1 HIS A 98 14.267 28.467 -15.779 1.00 74.21 N ATOM 1533 CD2 HIS A 98 12.728 28.776 -17.321 1.00 15.41 C ATOM 1534 CE1 HIS A 98 14.876 28.796 -16.908 1.00 41.14 C ATOM 1535 NE2 HIS A 98 13.921 28.988 -17.863 1.00 14.14 N ATOM 0 H HIS A 98 13.126 25.549 -14.448 1.00 24.45 H new ATOM 0 HA HIS A 98 10.386 26.664 -14.621 1.00 65.24 H new ATOM 0 HB2 HIS A 98 11.031 28.763 -15.040 1.00 44.33 H new ATOM 0 HB3 HIS A 98 12.337 28.318 -13.959 1.00 44.33 H new ATOM 0 HD2 HIS A 98 11.780 28.851 -17.833 1.00 15.41 H new ATOM 0 HE1 HIS A 98 15.942 28.895 -17.048 1.00 41.14 H new ATOM 0 HE2 HIS A 98 14.095 29.251 -18.833 1.00 14.14 H new ATOM 1543 N ILE A 99 11.974 24.840 -16.450 1.00 51.31 N ATOM 1544 CA ILE A 99 12.058 24.145 -17.723 1.00 73.02 C ATOM 1545 C ILE A 99 11.284 22.828 -17.632 1.00 40.20 C ATOM 1546 O ILE A 99 11.013 22.338 -16.537 1.00 72.10 O ATOM 1547 CB ILE A 99 13.518 23.972 -18.144 1.00 45.11 C ATOM 1548 CG1 ILE A 99 14.323 25.243 -17.866 1.00 3.40 C ATOM 1549 CG2 ILE A 99 13.620 23.538 -19.608 1.00 14.41 C ATOM 1550 CD1 ILE A 99 15.821 24.996 -18.054 1.00 64.11 C ATOM 0 H ILE A 99 12.352 24.323 -15.656 1.00 51.31 H new ATOM 0 HA ILE A 99 11.591 24.736 -18.511 1.00 73.02 H new ATOM 0 HB ILE A 99 13.955 23.176 -17.541 1.00 45.11 H new ATOM 0 HG12 ILE A 99 13.995 26.039 -18.535 1.00 3.40 H new ATOM 0 HG13 ILE A 99 14.132 25.583 -16.848 1.00 3.40 H new ATOM 0 HG21 ILE A 99 14.669 23.422 -19.881 1.00 14.41 H new ATOM 0 HG22 ILE A 99 13.103 22.588 -19.743 1.00 14.41 H new ATOM 0 HG23 ILE A 99 13.161 24.294 -20.245 1.00 14.41 H new ATOM 0 HD11 ILE A 99 16.370 25.915 -17.850 1.00 64.11 H new ATOM 0 HD12 ILE A 99 16.150 24.217 -17.367 1.00 64.11 H new ATOM 0 HD13 ILE A 99 16.012 24.679 -19.079 1.00 64.11 H new ATOM 1562 N ARG A 100 10.951 22.293 -18.797 1.00 75.12 N ATOM 1563 CA ARG A 100 10.213 21.042 -18.863 1.00 4.42 C ATOM 1564 C ARG A 100 10.996 20.007 -19.673 1.00 53.03 C ATOM 1565 O ARG A 100 11.711 20.358 -20.610 1.00 3.50 O ATOM 1566 CB ARG A 100 8.838 21.247 -19.501 1.00 61.43 C ATOM 1567 CG ARG A 100 8.943 21.287 -21.027 1.00 75.22 C ATOM 1568 CD ARG A 100 8.674 19.907 -21.632 1.00 15.33 C ATOM 1569 NE ARG A 100 7.377 19.385 -21.144 1.00 43.12 N ATOM 1570 CZ ARG A 100 6.192 19.618 -21.748 1.00 4.13 C ATOM 1571 NH1 ARG A 100 6.130 20.368 -22.869 1.00 30.24 N ATOM 1572 NH2 ARG A 100 5.096 19.102 -21.225 1.00 74.11 N ATOM 0 H ARG A 100 11.178 22.702 -19.703 1.00 75.12 H new ATOM 0 HA ARG A 100 10.077 20.682 -17.843 1.00 4.42 H new ATOM 0 HB2 ARG A 100 8.169 20.441 -19.200 1.00 61.43 H new ATOM 0 HB3 ARG A 100 8.400 22.177 -19.138 1.00 61.43 H new ATOM 0 HG2 ARG A 100 8.229 22.008 -21.425 1.00 75.22 H new ATOM 0 HG3 ARG A 100 9.937 21.628 -21.318 1.00 75.22 H new ATOM 0 HD2 ARG A 100 8.663 19.974 -22.720 1.00 15.33 H new ATOM 0 HD3 ARG A 100 9.476 19.220 -21.363 1.00 15.33 H new ATOM 0 HE ARG A 100 7.379 18.814 -20.299 1.00 43.12 H new ATOM 0 HH11 ARG A 100 6.982 20.763 -23.266 1.00 30.24 H new ATOM 0 HH12 ARG A 100 5.231 20.539 -23.319 1.00 30.24 H new ATOM 0 HH21 ARG A 100 5.152 18.537 -20.378 1.00 74.11 H new ATOM 0 HH22 ARG A 100 4.192 19.268 -21.668 1.00 74.11 H new ATOM 1585 N LEU A 101 10.833 18.751 -19.283 1.00 52.34 N ATOM 1586 CA LEU A 101 11.515 17.662 -19.962 1.00 51.51 C ATOM 1587 C LEU A 101 10.487 16.805 -20.703 1.00 15.05 C ATOM 1588 O LEU A 101 9.304 16.818 -20.365 1.00 53.43 O ATOM 1589 CB LEU A 101 12.378 16.873 -18.976 1.00 12.14 C ATOM 1590 CG LEU A 101 12.450 17.431 -17.553 1.00 21.55 C ATOM 1591 CD1 LEU A 101 13.359 16.570 -16.672 1.00 54.22 C ATOM 1592 CD2 LEU A 101 12.882 18.898 -17.560 1.00 11.31 C ATOM 0 H LEU A 101 10.239 18.463 -18.506 1.00 52.34 H new ATOM 0 HA LEU A 101 12.204 18.052 -20.711 1.00 51.51 H new ATOM 0 HB2 LEU A 101 11.998 15.853 -18.926 1.00 12.14 H new ATOM 0 HB3 LEU A 101 13.391 16.816 -19.375 1.00 12.14 H new ATOM 0 HG LEU A 101 11.450 17.392 -17.120 1.00 21.55 H new ATOM 0 HD11 LEU A 101 13.393 16.988 -15.666 1.00 54.22 H new ATOM 0 HD12 LEU A 101 12.968 15.554 -16.629 1.00 54.22 H new ATOM 0 HD13 LEU A 101 14.365 16.554 -17.092 1.00 54.22 H new ATOM 0 HD21 LEU A 101 12.925 19.270 -16.536 1.00 11.31 H new ATOM 0 HD22 LEU A 101 13.867 18.985 -18.019 1.00 11.31 H new ATOM 0 HD23 LEU A 101 12.163 19.486 -18.130 1.00 11.31 H new ATOM 1604 N GLU A 102 10.975 16.080 -21.698 1.00 30.42 N ATOM 1605 CA GLU A 102 10.113 15.218 -22.489 1.00 21.32 C ATOM 1606 C GLU A 102 9.883 13.889 -21.766 1.00 2.14 C ATOM 1607 O GLU A 102 10.698 13.478 -20.942 1.00 25.52 O ATOM 1608 CB GLU A 102 10.698 14.988 -23.884 1.00 2.53 C ATOM 1609 CG GLU A 102 11.002 16.319 -24.576 1.00 74.44 C ATOM 1610 CD GLU A 102 10.086 16.529 -25.784 1.00 15.53 C ATOM 1611 OE1 GLU A 102 9.136 15.757 -25.984 1.00 3.20 O ATOM 1612 OE2 GLU A 102 10.388 17.539 -26.528 1.00 12.14 O ATOM 0 H GLU A 102 11.957 16.071 -21.975 1.00 30.42 H new ATOM 0 HA GLU A 102 9.150 15.714 -22.612 1.00 21.32 H new ATOM 0 HB2 GLU A 102 11.611 14.397 -23.807 1.00 2.53 H new ATOM 0 HB3 GLU A 102 9.996 14.412 -24.487 1.00 2.53 H new ATOM 0 HG2 GLU A 102 10.872 17.139 -23.869 1.00 74.44 H new ATOM 0 HG3 GLU A 102 12.044 16.337 -24.897 1.00 74.44 H new ATOM 1620 N PRO A 103 8.739 13.238 -22.109 1.00 5.31 N ATOM 1621 CA PRO A 103 8.392 11.965 -21.502 1.00 30.23 C ATOM 1622 C PRO A 103 9.249 10.833 -22.073 1.00 15.01 C ATOM 1623 O PRO A 103 8.720 9.847 -22.584 1.00 51.14 O ATOM 1624 CB PRO A 103 6.909 11.787 -21.782 1.00 72.12 C ATOM 1625 CG PRO A 103 6.585 12.732 -22.928 1.00 12.34 C ATOM 1626 CD PRO A 103 7.750 13.696 -23.081 1.00 24.34 C ATOM 0 HA PRO A 103 8.587 11.943 -20.430 1.00 30.23 H new ATOM 0 HB2 PRO A 103 6.683 10.755 -22.051 1.00 72.12 H new ATOM 0 HB3 PRO A 103 6.314 12.024 -20.900 1.00 72.12 H new ATOM 0 HG2 PRO A 103 6.428 12.173 -23.851 1.00 12.34 H new ATOM 0 HG3 PRO A 103 5.663 13.277 -22.725 1.00 12.34 H new ATOM 0 HD2 PRO A 103 8.151 13.675 -24.094 1.00 24.34 H new ATOM 0 HD3 PRO A 103 7.444 14.723 -22.881 1.00 24.34 H new ATOM 1634 N HIS A 104 10.557 11.013 -21.966 1.00 71.44 N ATOM 1635 CA HIS A 104 11.492 10.019 -22.466 1.00 32.31 C ATOM 1636 C HIS A 104 12.896 10.623 -22.533 1.00 31.21 C ATOM 1637 O HIS A 104 13.866 9.997 -22.107 1.00 52.52 O ATOM 1638 CB HIS A 104 11.023 9.459 -23.810 1.00 75.41 C ATOM 1639 CG HIS A 104 10.328 8.121 -23.709 1.00 52.54 C ATOM 1640 ND1 HIS A 104 10.911 7.017 -23.114 1.00 61.52 N ATOM 1641 CD2 HIS A 104 9.094 7.724 -24.133 1.00 13.20 C ATOM 1642 CE1 HIS A 104 10.058 6.005 -23.183 1.00 0.20 C ATOM 1643 NE2 HIS A 104 8.932 6.446 -23.815 1.00 65.42 N ATOM 0 H HIS A 104 10.992 11.832 -21.541 1.00 71.44 H new ATOM 0 HA HIS A 104 11.530 9.173 -21.780 1.00 32.31 H new ATOM 0 HB2 HIS A 104 10.345 10.175 -24.274 1.00 75.41 H new ATOM 0 HB3 HIS A 104 11.884 9.361 -24.471 1.00 75.41 H new ATOM 0 HD2 HIS A 104 8.371 8.345 -24.641 1.00 13.20 H new ATOM 0 HE1 HIS A 104 10.225 5.007 -22.805 1.00 0.20 H new ATOM 0 HE2 HIS A 104 8.102 5.886 -24.011 1.00 65.42 H new ATOM 1651 N LYS A 105 12.960 11.832 -23.071 1.00 31.11 N ATOM 1652 CA LYS A 105 14.229 12.528 -23.199 1.00 60.33 C ATOM 1653 C LYS A 105 14.691 12.996 -21.818 1.00 20.21 C ATOM 1654 O LYS A 105 13.945 13.663 -21.103 1.00 42.42 O ATOM 1655 CB LYS A 105 14.120 13.656 -24.226 1.00 53.44 C ATOM 1656 CG LYS A 105 13.353 13.196 -25.468 1.00 23.30 C ATOM 1657 CD LYS A 105 13.716 14.049 -26.685 1.00 5.34 C ATOM 1658 CE LYS A 105 12.505 14.244 -27.599 1.00 65.42 C ATOM 1659 NZ LYS A 105 12.357 13.090 -28.514 1.00 74.12 N ATOM 0 H LYS A 105 12.153 12.347 -23.423 1.00 31.11 H new ATOM 0 HA LYS A 105 14.996 11.854 -23.580 1.00 60.33 H new ATOM 0 HB2 LYS A 105 13.615 14.512 -23.779 1.00 53.44 H new ATOM 0 HB3 LYS A 105 15.117 13.989 -24.513 1.00 53.44 H new ATOM 0 HG2 LYS A 105 13.579 12.150 -25.673 1.00 23.30 H new ATOM 0 HG3 LYS A 105 12.281 13.260 -25.282 1.00 23.30 H new ATOM 0 HD2 LYS A 105 14.087 15.019 -26.356 1.00 5.34 H new ATOM 0 HD3 LYS A 105 14.523 13.571 -27.241 1.00 5.34 H new ATOM 0 HE2 LYS A 105 11.603 14.358 -26.998 1.00 65.42 H new ATOM 0 HE3 LYS A 105 12.621 15.161 -28.176 1.00 65.42 H new ATOM 0 HZ1 LYS A 105 11.531 13.237 -29.128 1.00 74.12 H new ATOM 0 HZ2 LYS A 105 13.212 12.999 -29.100 1.00 74.12 H new ATOM 0 HZ3 LYS A 105 12.225 12.221 -27.958 1.00 74.12 H new ATOM 1672 N PRO A 106 15.951 12.617 -21.475 1.00 4.44 N ATOM 1673 CA PRO A 106 16.522 12.991 -20.192 1.00 12.24 C ATOM 1674 C PRO A 106 16.924 14.467 -20.180 1.00 5.23 C ATOM 1675 O PRO A 106 17.186 15.052 -21.230 1.00 30.50 O ATOM 1676 CB PRO A 106 17.701 12.052 -19.997 1.00 11.13 C ATOM 1677 CG PRO A 106 18.030 11.504 -21.376 1.00 33.01 C ATOM 1678 CD PRO A 106 16.864 11.827 -22.296 1.00 35.42 C ATOM 0 HA PRO A 106 15.812 12.892 -19.371 1.00 12.24 H new ATOM 0 HB2 PRO A 106 18.555 12.580 -19.573 1.00 11.13 H new ATOM 0 HB3 PRO A 106 17.449 11.247 -19.307 1.00 11.13 H new ATOM 0 HG2 PRO A 106 18.950 11.950 -21.755 1.00 33.01 H new ATOM 0 HG3 PRO A 106 18.193 10.427 -21.330 1.00 33.01 H new ATOM 0 HD2 PRO A 106 17.194 12.386 -23.172 1.00 35.42 H new ATOM 0 HD3 PRO A 106 16.384 10.919 -22.660 1.00 35.42 H new ATOM 1686 N GLN A 107 16.962 15.028 -18.980 1.00 31.33 N ATOM 1687 CA GLN A 107 17.329 16.424 -18.817 1.00 55.31 C ATOM 1688 C GLN A 107 18.366 16.574 -17.703 1.00 0.43 C ATOM 1689 O GLN A 107 18.057 16.370 -16.530 1.00 34.20 O ATOM 1690 CB GLN A 107 16.095 17.286 -18.538 1.00 25.10 C ATOM 1691 CG GLN A 107 16.489 18.610 -17.880 1.00 63.11 C ATOM 1692 CD GLN A 107 17.572 19.324 -18.691 1.00 41.53 C ATOM 1693 OE1 GLN A 107 17.520 19.407 -19.907 1.00 40.04 O ATOM 1694 NE2 GLN A 107 18.553 19.835 -17.952 1.00 62.25 N ATOM 0 H GLN A 107 16.744 14.540 -18.111 1.00 31.33 H new ATOM 0 HA GLN A 107 17.773 16.774 -19.749 1.00 55.31 H new ATOM 0 HB2 GLN A 107 15.566 17.482 -19.470 1.00 25.10 H new ATOM 0 HB3 GLN A 107 15.407 16.744 -17.889 1.00 25.10 H new ATOM 0 HG2 GLN A 107 15.612 19.252 -17.793 1.00 63.11 H new ATOM 0 HG3 GLN A 107 16.850 18.424 -16.868 1.00 63.11 H new ATOM 0 HE21 GLN A 107 18.535 19.730 -16.938 1.00 62.25 H new ATOM 0 HE22 GLN A 107 19.323 20.332 -18.400 1.00 62.25 H new ATOM 1703 N GLN A 108 19.576 16.931 -18.108 1.00 70.44 N ATOM 1704 CA GLN A 108 20.661 17.110 -17.159 1.00 11.53 C ATOM 1705 C GLN A 108 20.161 17.848 -15.915 1.00 50.51 C ATOM 1706 O GLN A 108 19.096 18.463 -15.940 1.00 51.32 O ATOM 1707 CB GLN A 108 21.835 17.852 -17.801 1.00 72.03 C ATOM 1708 CG GLN A 108 22.001 19.247 -17.194 1.00 71.42 C ATOM 1709 CD GLN A 108 23.163 19.995 -17.850 1.00 1.11 C ATOM 1710 OE1 GLN A 108 23.299 20.044 -19.061 1.00 50.44 O ATOM 1711 NE2 GLN A 108 23.991 20.573 -16.985 1.00 2.35 N ATOM 0 H GLN A 108 19.829 17.101 -19.081 1.00 70.44 H new ATOM 0 HA GLN A 108 21.018 16.126 -16.856 1.00 11.53 H new ATOM 0 HB2 GLN A 108 22.752 17.279 -17.661 1.00 72.03 H new ATOM 0 HB3 GLN A 108 21.673 17.936 -18.876 1.00 72.03 H new ATOM 0 HG2 GLN A 108 21.080 19.815 -17.322 1.00 71.42 H new ATOM 0 HG3 GLN A 108 22.177 19.162 -16.122 1.00 71.42 H new ATOM 0 HE21 GLN A 108 23.819 20.493 -15.983 1.00 2.35 H new ATOM 0 HE22 GLN A 108 24.798 21.096 -17.324 1.00 2.35 H new ATOM 1720 N ILE A 109 20.953 17.763 -14.857 1.00 5.11 N ATOM 1721 CA ILE A 109 20.605 18.415 -13.606 1.00 54.11 C ATOM 1722 C ILE A 109 21.865 19.016 -12.980 1.00 51.25 C ATOM 1723 O ILE A 109 22.730 18.288 -12.497 1.00 42.00 O ATOM 1724 CB ILE A 109 19.863 17.445 -12.684 1.00 65.54 C ATOM 1725 CG1 ILE A 109 18.831 16.628 -13.464 1.00 53.33 C ATOM 1726 CG2 ILE A 109 19.235 18.184 -11.501 1.00 61.33 C ATOM 1727 CD1 ILE A 109 17.610 17.481 -13.816 1.00 0.00 C ATOM 0 H ILE A 109 21.836 17.252 -14.840 1.00 5.11 H new ATOM 0 HA ILE A 109 19.914 19.239 -13.786 1.00 54.11 H new ATOM 0 HB ILE A 109 20.588 16.741 -12.275 1.00 65.54 H new ATOM 0 HG12 ILE A 109 19.283 16.240 -14.377 1.00 53.33 H new ATOM 0 HG13 ILE A 109 18.520 15.768 -12.872 1.00 53.33 H new ATOM 0 HG21 ILE A 109 18.714 17.471 -10.862 1.00 61.33 H new ATOM 0 HG22 ILE A 109 20.016 18.682 -10.927 1.00 61.33 H new ATOM 0 HG23 ILE A 109 18.527 18.926 -11.870 1.00 61.33 H new ATOM 0 HD11 ILE A 109 16.892 16.877 -14.370 1.00 0.00 H new ATOM 0 HD12 ILE A 109 17.146 17.848 -12.900 1.00 0.00 H new ATOM 0 HD13 ILE A 109 17.922 18.327 -14.429 1.00 0.00 H new ATOM 1739 N PRO A 110 21.930 20.374 -13.011 1.00 10.31 N ATOM 1740 CA PRO A 110 23.070 21.082 -12.453 1.00 31.32 C ATOM 1741 C PRO A 110 23.019 21.084 -10.924 1.00 32.24 C ATOM 1742 O PRO A 110 21.999 20.731 -10.332 1.00 43.45 O ATOM 1743 CB PRO A 110 22.999 22.477 -13.052 1.00 33.15 C ATOM 1744 CG PRO A 110 21.573 22.643 -13.553 1.00 2.34 C ATOM 1745 CD PRO A 110 20.924 21.269 -13.575 1.00 51.23 C ATOM 0 HA PRO A 110 24.020 20.607 -12.696 1.00 31.32 H new ATOM 0 HB2 PRO A 110 23.242 23.235 -12.307 1.00 33.15 H new ATOM 0 HB3 PRO A 110 23.715 22.589 -13.866 1.00 33.15 H new ATOM 0 HG2 PRO A 110 21.016 23.318 -12.903 1.00 2.34 H new ATOM 0 HG3 PRO A 110 21.567 23.084 -14.550 1.00 2.34 H new ATOM 0 HD2 PRO A 110 20.007 21.255 -12.986 1.00 51.23 H new ATOM 0 HD3 PRO A 110 20.656 20.974 -14.590 1.00 51.23 H new ATOM 1753 N ILE A 111 24.132 21.485 -10.327 1.00 34.01 N ATOM 1754 CA ILE A 111 24.227 21.538 -8.878 1.00 35.21 C ATOM 1755 C ILE A 111 23.364 22.689 -8.356 1.00 43.13 C ATOM 1756 O ILE A 111 23.129 23.665 -9.067 1.00 62.13 O ATOM 1757 CB ILE A 111 25.690 21.618 -8.439 1.00 42.14 C ATOM 1758 CG1 ILE A 111 26.543 20.591 -9.186 1.00 64.13 C ATOM 1759 CG2 ILE A 111 25.817 21.473 -6.921 1.00 55.25 C ATOM 1760 CD1 ILE A 111 25.962 19.183 -9.038 1.00 1.42 C ATOM 0 H ILE A 111 24.976 21.776 -10.821 1.00 34.01 H new ATOM 0 HA ILE A 111 23.836 20.621 -8.437 1.00 35.21 H new ATOM 0 HB ILE A 111 26.071 22.605 -8.700 1.00 42.14 H new ATOM 0 HG12 ILE A 111 26.597 20.857 -10.242 1.00 64.13 H new ATOM 0 HG13 ILE A 111 27.562 20.610 -8.800 1.00 64.13 H new ATOM 0 HG21 ILE A 111 26.867 21.534 -6.636 1.00 55.25 H new ATOM 0 HG22 ILE A 111 25.262 22.273 -6.431 1.00 55.25 H new ATOM 0 HG23 ILE A 111 25.412 20.509 -6.612 1.00 55.25 H new ATOM 0 HD11 ILE A 111 26.588 18.473 -9.579 1.00 1.42 H new ATOM 0 HD12 ILE A 111 25.932 18.911 -7.983 1.00 1.42 H new ATOM 0 HD13 ILE A 111 24.952 19.161 -9.447 1.00 1.42 H new ATOM 1772 N ASP A 112 22.916 22.537 -7.119 1.00 4.03 N ATOM 1773 CA ASP A 112 22.085 23.552 -6.494 1.00 22.24 C ATOM 1774 C ASP A 112 20.917 23.890 -7.421 1.00 53.34 C ATOM 1775 O ASP A 112 20.305 24.950 -7.294 1.00 21.10 O ATOM 1776 CB ASP A 112 22.878 24.836 -6.244 1.00 42.21 C ATOM 1777 CG ASP A 112 24.173 24.963 -7.049 1.00 2.30 C ATOM 1778 OD1 ASP A 112 25.216 24.407 -6.673 1.00 72.04 O ATOM 1779 OD2 ASP A 112 24.082 25.679 -8.118 1.00 43.04 O ATOM 0 H ASP A 112 23.113 21.726 -6.532 1.00 4.03 H new ATOM 0 HA ASP A 112 21.729 23.157 -5.542 1.00 22.24 H new ATOM 0 HB2 ASP A 112 22.240 25.690 -6.473 1.00 42.21 H new ATOM 0 HB3 ASP A 112 23.120 24.895 -5.183 1.00 42.21 H new ATOM 1785 N SER A 113 20.642 22.970 -8.334 1.00 51.33 N ATOM 1786 CA SER A 113 19.558 23.158 -9.283 1.00 74.12 C ATOM 1787 C SER A 113 18.210 22.975 -8.581 1.00 44.51 C ATOM 1788 O SER A 113 18.155 22.860 -7.358 1.00 35.51 O ATOM 1789 CB SER A 113 19.680 22.186 -10.458 1.00 73.13 C ATOM 1790 OG SER A 113 18.499 22.161 -11.255 1.00 73.05 O ATOM 0 H SER A 113 21.151 22.092 -8.437 1.00 51.33 H new ATOM 0 HA SER A 113 19.621 24.172 -9.677 1.00 74.12 H new ATOM 0 HB2 SER A 113 20.530 22.472 -11.078 1.00 73.13 H new ATOM 0 HB3 SER A 113 19.884 21.184 -10.080 1.00 73.13 H new ATOM 0 HG SER A 113 18.447 22.981 -11.789 1.00 73.05 H new ATOM 1796 N THR A 114 17.158 22.956 -9.386 1.00 20.33 N ATOM 1797 CA THR A 114 15.815 22.789 -8.857 1.00 52.30 C ATOM 1798 C THR A 114 14.895 22.183 -9.919 1.00 1.22 C ATOM 1799 O THR A 114 14.780 22.715 -11.022 1.00 71.31 O ATOM 1800 CB THR A 114 15.337 24.149 -8.344 1.00 10.03 C ATOM 1801 OG1 THR A 114 16.249 24.464 -7.295 1.00 14.11 O ATOM 1802 CG2 THR A 114 13.979 24.067 -7.644 1.00 74.44 C ATOM 0 H THR A 114 17.208 23.053 -10.400 1.00 20.33 H new ATOM 0 HA THR A 114 15.803 22.088 -8.023 1.00 52.30 H new ATOM 0 HB THR A 114 15.274 24.849 -9.177 1.00 10.03 H new ATOM 0 HG1 THR A 114 16.627 23.636 -6.931 1.00 14.11 H new ATOM 0 HG21 THR A 114 13.687 25.059 -7.300 1.00 74.44 H new ATOM 0 HG22 THR A 114 13.232 23.691 -8.343 1.00 74.44 H new ATOM 0 HG23 THR A 114 14.050 23.393 -6.790 1.00 74.44 H new ATOM 1810 N VAL A 115 14.264 21.079 -9.548 1.00 73.13 N ATOM 1811 CA VAL A 115 13.358 20.395 -10.455 1.00 73.21 C ATOM 1812 C VAL A 115 11.986 20.257 -9.791 1.00 41.32 C ATOM 1813 O VAL A 115 11.881 20.278 -8.566 1.00 14.21 O ATOM 1814 CB VAL A 115 13.955 19.051 -10.877 1.00 22.24 C ATOM 1815 CG1 VAL A 115 15.336 18.845 -10.252 1.00 23.34 C ATOM 1816 CG2 VAL A 115 13.015 17.897 -10.522 1.00 12.24 C ATOM 0 H VAL A 115 14.362 20.641 -8.632 1.00 73.13 H new ATOM 0 HA VAL A 115 13.221 20.976 -11.367 1.00 73.21 H new ATOM 0 HB VAL A 115 14.075 19.063 -11.960 1.00 22.24 H new ATOM 0 HG11 VAL A 115 15.738 17.882 -10.568 1.00 23.34 H new ATOM 0 HG12 VAL A 115 16.005 19.642 -10.577 1.00 23.34 H new ATOM 0 HG13 VAL A 115 15.250 18.864 -9.166 1.00 23.34 H new ATOM 0 HG21 VAL A 115 13.464 16.953 -10.833 1.00 12.24 H new ATOM 0 HG22 VAL A 115 12.848 17.882 -9.445 1.00 12.24 H new ATOM 0 HG23 VAL A 115 12.063 18.032 -11.035 1.00 12.24 H new ATOM 1826 N SER A 116 10.969 20.120 -10.630 1.00 25.23 N ATOM 1827 CA SER A 116 9.609 19.979 -10.140 1.00 12.05 C ATOM 1828 C SER A 116 8.831 19.004 -11.026 1.00 44.33 C ATOM 1829 O SER A 116 8.543 19.307 -12.183 1.00 71.22 O ATOM 1830 CB SER A 116 8.899 21.333 -10.090 1.00 14.15 C ATOM 1831 OG SER A 116 8.377 21.709 -11.361 1.00 55.40 O ATOM 0 H SER A 116 11.060 20.104 -11.646 1.00 25.23 H new ATOM 0 HA SER A 116 9.651 19.583 -9.125 1.00 12.05 H new ATOM 0 HB2 SER A 116 8.088 21.290 -9.363 1.00 14.15 H new ATOM 0 HB3 SER A 116 9.597 22.096 -9.745 1.00 14.15 H new ATOM 0 HG SER A 116 7.970 20.928 -11.791 1.00 55.40 H new ATOM 1837 N PHE A 117 8.514 17.854 -10.450 1.00 44.11 N ATOM 1838 CA PHE A 117 7.776 16.833 -11.174 1.00 0.03 C ATOM 1839 C PHE A 117 6.339 17.283 -11.443 1.00 34.12 C ATOM 1840 O PHE A 117 5.896 18.304 -10.919 1.00 53.15 O ATOM 1841 CB PHE A 117 7.750 15.587 -10.287 1.00 22.33 C ATOM 1842 CG PHE A 117 9.043 14.769 -10.325 1.00 73.20 C ATOM 1843 CD1 PHE A 117 10.244 15.387 -10.166 1.00 14.03 C ATOM 1844 CD2 PHE A 117 8.991 13.424 -10.519 1.00 33.35 C ATOM 1845 CE1 PHE A 117 11.443 14.628 -10.201 1.00 61.14 C ATOM 1846 CE2 PHE A 117 10.190 12.665 -10.554 1.00 63.42 C ATOM 1847 CZ PHE A 117 11.391 13.283 -10.395 1.00 22.21 C ATOM 0 H PHE A 117 8.755 17.607 -9.490 1.00 44.11 H new ATOM 0 HA PHE A 117 8.253 16.639 -12.134 1.00 0.03 H new ATOM 0 HB2 PHE A 117 7.554 15.890 -9.258 1.00 22.33 H new ATOM 0 HB3 PHE A 117 6.920 14.951 -10.596 1.00 22.33 H new ATOM 0 HD1 PHE A 117 10.285 16.455 -10.013 1.00 14.03 H new ATOM 0 HD2 PHE A 117 8.037 12.933 -10.646 1.00 33.35 H new ATOM 0 HE1 PHE A 117 12.397 15.119 -10.074 1.00 61.14 H new ATOM 0 HE2 PHE A 117 10.149 11.597 -10.707 1.00 63.42 H new ATOM 0 HZ PHE A 117 12.303 12.706 -10.423 1.00 22.21 H new ATOM 1857 N GLY A 118 5.650 16.498 -12.259 1.00 12.44 N ATOM 1858 CA GLY A 118 4.272 16.803 -12.604 1.00 14.25 C ATOM 1859 C GLY A 118 3.503 17.321 -11.386 1.00 44.30 C ATOM 1860 O GLY A 118 3.319 18.528 -11.231 1.00 24.51 O ATOM 0 H GLY A 118 6.021 15.652 -12.691 1.00 12.44 H new ATOM 0 HA2 GLY A 118 4.249 17.550 -13.398 1.00 14.25 H new ATOM 0 HA3 GLY A 118 3.784 15.909 -12.993 1.00 14.25 H new ATOM 1864 N ALA A 119 3.076 16.384 -10.553 1.00 75.34 N ATOM 1865 CA ALA A 119 2.331 16.730 -9.354 1.00 44.44 C ATOM 1866 C ALA A 119 3.291 17.311 -8.314 1.00 21.53 C ATOM 1867 O ALA A 119 3.248 18.505 -8.022 1.00 22.31 O ATOM 1868 CB ALA A 119 1.589 15.496 -8.839 1.00 63.31 C ATOM 0 H ALA A 119 3.232 15.385 -10.684 1.00 75.34 H new ATOM 0 HA ALA A 119 1.582 17.491 -9.573 1.00 44.44 H new ATOM 0 HB1 ALA A 119 1.031 15.756 -7.940 1.00 63.31 H new ATOM 0 HB2 ALA A 119 0.899 15.140 -9.604 1.00 63.31 H new ATOM 0 HB3 ALA A 119 2.308 14.711 -8.605 1.00 63.31 H new ATOM 1874 N SER A 120 4.135 16.438 -7.782 1.00 53.01 N ATOM 1875 CA SER A 120 5.103 16.849 -6.780 1.00 65.30 C ATOM 1876 C SER A 120 5.554 18.287 -7.046 1.00 33.42 C ATOM 1877 O SER A 120 6.440 18.522 -7.866 1.00 13.01 O ATOM 1878 CB SER A 120 6.311 15.909 -6.764 1.00 13.05 C ATOM 1879 OG SER A 120 7.525 16.605 -6.497 1.00 4.01 O ATOM 0 H SER A 120 4.168 15.448 -8.026 1.00 53.01 H new ATOM 0 HA SER A 120 4.624 16.800 -5.802 1.00 65.30 H new ATOM 0 HB2 SER A 120 6.161 15.139 -6.008 1.00 13.05 H new ATOM 0 HB3 SER A 120 6.388 15.401 -7.725 1.00 13.05 H new ATOM 0 HG SER A 120 7.651 17.310 -7.165 1.00 4.01 H new ATOM 1885 N THR A 121 4.923 19.211 -6.337 1.00 34.13 N ATOM 1886 CA THR A 121 5.247 20.619 -6.486 1.00 1.54 C ATOM 1887 C THR A 121 6.606 20.923 -5.852 1.00 42.44 C ATOM 1888 O THR A 121 7.097 22.048 -5.937 1.00 12.22 O ATOM 1889 CB THR A 121 4.101 21.435 -5.884 1.00 74.24 C ATOM 1890 OG1 THR A 121 3.863 20.820 -4.621 1.00 13.20 O ATOM 1891 CG2 THR A 121 2.786 21.246 -6.644 1.00 61.52 C ATOM 0 H THR A 121 4.189 19.012 -5.658 1.00 34.13 H new ATOM 0 HA THR A 121 5.344 20.893 -7.537 1.00 1.54 H new ATOM 0 HB THR A 121 4.370 22.491 -5.881 1.00 74.24 H new ATOM 0 HG1 THR A 121 3.059 20.262 -4.675 1.00 13.20 H new ATOM 0 HG21 THR A 121 2.006 21.846 -6.176 1.00 61.52 H new ATOM 0 HG22 THR A 121 2.915 21.562 -7.679 1.00 61.52 H new ATOM 0 HG23 THR A 121 2.499 20.195 -6.619 1.00 61.52 H new ATOM 1899 N ARG A 122 7.176 19.901 -5.232 1.00 62.21 N ATOM 1900 CA ARG A 122 8.469 20.044 -4.585 1.00 1.32 C ATOM 1901 C ARG A 122 9.462 20.727 -5.528 1.00 12.44 C ATOM 1902 O ARG A 122 9.131 21.024 -6.675 1.00 33.34 O ATOM 1903 CB ARG A 122 9.029 18.684 -4.165 1.00 32.23 C ATOM 1904 CG ARG A 122 8.050 17.947 -3.248 1.00 54.42 C ATOM 1905 CD ARG A 122 7.648 18.822 -2.059 1.00 51.40 C ATOM 1906 NE ARG A 122 6.783 18.055 -1.135 1.00 70.04 N ATOM 1907 CZ ARG A 122 7.246 17.295 -0.121 1.00 22.35 C ATOM 1908 NH1 ARG A 122 8.573 17.194 0.110 1.00 74.32 N ATOM 1909 NH2 ARG A 122 6.383 16.651 0.643 1.00 12.41 N ATOM 0 H ARG A 122 6.766 18.970 -5.164 1.00 62.21 H new ATOM 0 HA ARG A 122 8.327 20.656 -3.695 1.00 1.32 H new ATOM 0 HB2 ARG A 122 9.229 18.080 -5.050 1.00 32.23 H new ATOM 0 HB3 ARG A 122 9.981 18.821 -3.651 1.00 32.23 H new ATOM 0 HG2 ARG A 122 7.162 17.663 -3.812 1.00 54.42 H new ATOM 0 HG3 ARG A 122 8.507 17.025 -2.888 1.00 54.42 H new ATOM 0 HD2 ARG A 122 8.538 19.168 -1.534 1.00 51.40 H new ATOM 0 HD3 ARG A 122 7.121 19.709 -2.411 1.00 51.40 H new ATOM 0 HE ARG A 122 5.774 18.104 -1.273 1.00 70.04 H new ATOM 0 HH11 ARG A 122 9.234 17.695 -0.484 1.00 74.32 H new ATOM 0 HH12 ARG A 122 8.914 16.617 0.879 1.00 74.32 H new ATOM 0 HH21 ARG A 122 5.382 16.732 0.462 1.00 12.41 H new ATOM 0 HH22 ARG A 122 6.717 16.072 1.414 1.00 12.41 H new ATOM 1922 N ALA A 123 10.659 20.957 -5.009 1.00 41.40 N ATOM 1923 CA ALA A 123 11.702 21.600 -5.790 1.00 42.13 C ATOM 1924 C ALA A 123 13.020 20.848 -5.591 1.00 14.05 C ATOM 1925 O ALA A 123 13.990 21.412 -5.087 1.00 61.33 O ATOM 1926 CB ALA A 123 11.805 23.073 -5.390 1.00 44.35 C ATOM 0 H ALA A 123 10.930 20.710 -4.057 1.00 41.40 H new ATOM 0 HA ALA A 123 11.461 21.567 -6.853 1.00 42.13 H new ATOM 0 HB1 ALA A 123 12.587 23.555 -5.976 1.00 44.35 H new ATOM 0 HB2 ALA A 123 10.853 23.569 -5.579 1.00 44.35 H new ATOM 0 HB3 ALA A 123 12.048 23.146 -4.330 1.00 44.35 H new ATOM 1932 N TYR A 124 13.011 19.586 -5.995 1.00 40.53 N ATOM 1933 CA TYR A 124 14.193 18.751 -5.867 1.00 42.40 C ATOM 1934 C TYR A 124 15.458 19.533 -6.226 1.00 44.30 C ATOM 1935 O TYR A 124 15.702 19.823 -7.396 1.00 41.43 O ATOM 1936 CB TYR A 124 14.013 17.609 -6.868 1.00 71.33 C ATOM 1937 CG TYR A 124 12.841 16.679 -6.547 1.00 40.11 C ATOM 1938 CD1 TYR A 124 12.062 16.910 -5.432 1.00 3.55 C ATOM 1939 CD2 TYR A 124 12.563 15.609 -7.373 1.00 74.02 C ATOM 1940 CE1 TYR A 124 10.959 16.035 -5.129 1.00 43.52 C ATOM 1941 CE2 TYR A 124 11.460 14.734 -7.071 1.00 34.11 C ATOM 1942 CZ TYR A 124 10.712 14.990 -5.964 1.00 4.42 C ATOM 1943 OH TYR A 124 9.671 14.164 -5.678 1.00 73.13 O ATOM 0 H TYR A 124 12.204 19.122 -6.411 1.00 40.53 H new ATOM 0 HA TYR A 124 14.302 18.396 -4.842 1.00 42.40 H new ATOM 0 HB2 TYR A 124 13.867 18.031 -7.862 1.00 71.33 H new ATOM 0 HB3 TYR A 124 14.931 17.022 -6.902 1.00 71.33 H new ATOM 0 HD1 TYR A 124 12.280 17.748 -4.786 1.00 3.55 H new ATOM 0 HD2 TYR A 124 13.173 15.428 -8.246 1.00 74.02 H new ATOM 0 HE1 TYR A 124 10.342 16.205 -4.259 1.00 43.52 H new ATOM 0 HE2 TYR A 124 11.232 13.893 -7.709 1.00 34.11 H new ATOM 0 HH TYR A 124 9.024 14.637 -5.114 1.00 73.13 H new ATOM 1953 N THR A 125 16.230 19.852 -5.197 1.00 43.25 N ATOM 1954 CA THR A 125 17.464 20.595 -5.390 1.00 24.22 C ATOM 1955 C THR A 125 18.666 19.648 -5.362 1.00 1.42 C ATOM 1956 O THR A 125 19.095 19.215 -4.293 1.00 42.44 O ATOM 1957 CB THR A 125 17.528 21.690 -4.323 1.00 63.22 C ATOM 1958 OG1 THR A 125 16.717 22.736 -4.850 1.00 71.24 O ATOM 1959 CG2 THR A 125 18.919 22.318 -4.211 1.00 61.41 C ATOM 0 H THR A 125 16.025 19.610 -4.228 1.00 43.25 H new ATOM 0 HA THR A 125 17.489 21.073 -6.369 1.00 24.22 H new ATOM 0 HB THR A 125 17.239 21.274 -3.358 1.00 63.22 H new ATOM 0 HG1 THR A 125 15.800 22.411 -4.969 1.00 71.24 H new ATOM 0 HG21 THR A 125 18.909 23.088 -3.440 1.00 61.41 H new ATOM 0 HG22 THR A 125 19.645 21.549 -3.947 1.00 61.41 H new ATOM 0 HG23 THR A 125 19.195 22.764 -5.166 1.00 61.41 H new ATOM 1967 N LEU A 126 19.175 19.355 -6.549 1.00 64.12 N ATOM 1968 CA LEU A 126 20.319 18.468 -6.674 1.00 63.34 C ATOM 1969 C LEU A 126 21.574 19.186 -6.172 1.00 75.31 C ATOM 1970 O LEU A 126 22.075 20.098 -6.827 1.00 65.34 O ATOM 1971 CB LEU A 126 20.441 17.949 -8.109 1.00 35.13 C ATOM 1972 CG LEU A 126 21.730 17.197 -8.443 1.00 63.21 C ATOM 1973 CD1 LEU A 126 22.846 18.168 -8.834 1.00 53.10 C ATOM 1974 CD2 LEU A 126 22.146 16.281 -7.290 1.00 12.11 C ATOM 0 H LEU A 126 18.816 19.716 -7.433 1.00 64.12 H new ATOM 0 HA LEU A 126 20.185 17.585 -6.050 1.00 63.34 H new ATOM 0 HB2 LEU A 126 19.597 17.289 -8.308 1.00 35.13 H new ATOM 0 HB3 LEU A 126 20.351 18.796 -8.789 1.00 35.13 H new ATOM 0 HG LEU A 126 21.539 16.560 -9.307 1.00 63.21 H new ATOM 0 HD11 LEU A 126 23.751 17.607 -9.067 1.00 53.10 H new ATOM 0 HD12 LEU A 126 22.540 18.741 -9.709 1.00 53.10 H new ATOM 0 HD13 LEU A 126 23.043 18.848 -8.005 1.00 53.10 H new ATOM 0 HD21 LEU A 126 23.065 15.758 -7.554 1.00 12.11 H new ATOM 0 HD22 LEU A 126 22.313 16.878 -6.393 1.00 12.11 H new ATOM 0 HD23 LEU A 126 21.357 15.553 -7.100 1.00 12.11 H new ATOM 1986 N ARG A 127 22.044 18.747 -5.014 1.00 14.24 N ATOM 1987 CA ARG A 127 23.230 19.337 -4.416 1.00 34.42 C ATOM 1988 C ARG A 127 24.461 18.485 -4.729 1.00 63.15 C ATOM 1989 O ARG A 127 24.377 17.520 -5.488 1.00 54.31 O ATOM 1990 CB ARG A 127 23.077 19.462 -2.899 1.00 25.34 C ATOM 1991 CG ARG A 127 23.405 20.881 -2.430 1.00 33.01 C ATOM 1992 CD ARG A 127 22.319 21.867 -2.866 1.00 72.43 C ATOM 1993 NE ARG A 127 21.143 21.752 -1.974 1.00 63.05 N ATOM 1994 CZ ARG A 127 21.024 22.394 -0.793 1.00 3.11 C ATOM 1995 NH1 ARG A 127 22.010 23.203 -0.351 1.00 1.35 N ATOM 1996 NH2 ARG A 127 19.929 22.219 -0.077 1.00 25.33 N ATOM 0 H ARG A 127 21.625 17.990 -4.474 1.00 14.24 H new ATOM 0 HA ARG A 127 23.356 20.333 -4.840 1.00 34.42 H new ATOM 0 HB2 ARG A 127 22.057 19.206 -2.610 1.00 25.34 H new ATOM 0 HB3 ARG A 127 23.737 18.750 -2.403 1.00 25.34 H new ATOM 0 HG2 ARG A 127 23.500 20.896 -1.344 1.00 33.01 H new ATOM 0 HG3 ARG A 127 24.367 21.190 -2.839 1.00 33.01 H new ATOM 0 HD2 ARG A 127 22.708 22.885 -2.839 1.00 72.43 H new ATOM 0 HD3 ARG A 127 22.025 21.665 -3.896 1.00 72.43 H new ATOM 0 HE ARG A 127 20.375 21.150 -2.271 1.00 63.05 H new ATOM 0 HH11 ARG A 127 22.853 23.333 -0.911 1.00 1.35 H new ATOM 0 HH12 ARG A 127 21.912 23.685 0.543 1.00 1.35 H new ATOM 0 HH21 ARG A 127 19.189 21.606 -0.419 1.00 25.33 H new ATOM 0 HH22 ARG A 127 19.823 22.697 0.818 1.00 25.33 H new ATOM 2009 N GLU A 128 25.577 18.872 -4.130 1.00 5.22 N ATOM 2010 CA GLU A 128 26.825 18.156 -4.336 1.00 10.13 C ATOM 2011 C GLU A 128 27.802 18.453 -3.196 1.00 52.32 C ATOM 2012 O GLU A 128 28.384 19.535 -3.140 1.00 4.15 O ATOM 2013 CB GLU A 128 27.441 18.507 -5.691 1.00 61.35 C ATOM 2014 CG GLU A 128 28.932 18.166 -5.721 1.00 5.24 C ATOM 2015 CD GLU A 128 29.386 17.811 -7.138 1.00 21.21 C ATOM 2016 OE1 GLU A 128 28.549 17.485 -7.993 1.00 45.23 O ATOM 2017 OE2 GLU A 128 30.659 17.883 -7.337 1.00 74.13 O ATOM 0 H GLU A 128 25.644 19.673 -3.501 1.00 5.22 H new ATOM 0 HA GLU A 128 26.612 17.087 -4.337 1.00 10.13 H new ATOM 0 HB2 GLU A 128 26.924 17.963 -6.481 1.00 61.35 H new ATOM 0 HB3 GLU A 128 27.303 19.569 -5.893 1.00 61.35 H new ATOM 0 HG2 GLU A 128 29.510 19.013 -5.352 1.00 5.24 H new ATOM 0 HG3 GLU A 128 29.131 17.329 -5.051 1.00 5.24 H new ATOM 2025 N LYS A 129 27.951 17.474 -2.317 1.00 31.33 N ATOM 2026 CA LYS A 129 28.847 17.617 -1.182 1.00 21.31 C ATOM 2027 C LYS A 129 30.090 18.397 -1.615 1.00 21.05 C ATOM 2028 O LYS A 129 31.014 17.828 -2.194 1.00 2.24 O ATOM 2029 CB LYS A 129 29.161 16.249 -0.571 1.00 40.35 C ATOM 2030 CG LYS A 129 27.893 15.587 -0.028 1.00 1.51 C ATOM 2031 CD LYS A 129 28.230 14.312 0.748 1.00 54.24 C ATOM 2032 CE LYS A 129 29.384 14.552 1.723 1.00 53.21 C ATOM 2033 NZ LYS A 129 29.139 15.772 2.525 1.00 24.31 N ATOM 0 H LYS A 129 27.466 16.578 -2.367 1.00 31.33 H new ATOM 0 HA LYS A 129 28.369 18.192 -0.389 1.00 21.31 H new ATOM 0 HB2 LYS A 129 29.617 15.606 -1.324 1.00 40.35 H new ATOM 0 HB3 LYS A 129 29.888 16.364 0.233 1.00 40.35 H new ATOM 0 HG2 LYS A 129 27.364 16.284 0.622 1.00 1.51 H new ATOM 0 HG3 LYS A 129 27.221 15.348 -0.853 1.00 1.51 H new ATOM 0 HD2 LYS A 129 27.351 13.973 1.296 1.00 54.24 H new ATOM 0 HD3 LYS A 129 28.497 13.518 0.051 1.00 54.24 H new ATOM 0 HE2 LYS A 129 29.495 13.692 2.383 1.00 53.21 H new ATOM 0 HE3 LYS A 129 30.319 14.654 1.172 1.00 53.21 H new ATOM 0 HZ1 LYS A 129 29.405 15.596 3.515 1.00 24.31 H new ATOM 0 HZ2 LYS A 129 29.709 16.556 2.148 1.00 24.31 H new ATOM 0 HZ3 LYS A 129 28.131 16.022 2.477 1.00 24.31 H new ATOM 2046 N PRO A 130 30.072 19.722 -1.309 1.00 1.02 N ATOM 2047 CA PRO A 130 31.186 20.586 -1.660 1.00 2.24 C ATOM 2048 C PRO A 130 32.377 20.352 -0.727 1.00 73.14 C ATOM 2049 O PRO A 130 32.447 19.327 -0.051 1.00 4.35 O ATOM 2050 CB PRO A 130 30.632 21.999 -1.571 1.00 74.42 C ATOM 2051 CG PRO A 130 29.370 21.899 -0.729 1.00 1.11 C ATOM 2052 CD PRO A 130 28.995 20.430 -0.624 1.00 13.14 C ATOM 0 HA PRO A 130 31.574 20.386 -2.659 1.00 2.24 H new ATOM 0 HB2 PRO A 130 31.355 22.674 -1.113 1.00 74.42 H new ATOM 0 HB3 PRO A 130 30.410 22.395 -2.562 1.00 74.42 H new ATOM 0 HG2 PRO A 130 29.537 22.322 0.262 1.00 1.11 H new ATOM 0 HG3 PRO A 130 28.560 22.468 -1.186 1.00 1.11 H new ATOM 0 HD2 PRO A 130 28.914 20.116 0.417 1.00 13.14 H new ATOM 0 HD3 PRO A 130 28.031 20.233 -1.093 1.00 13.14 H new ATOM 2060 N GLN A 131 33.282 21.319 -0.722 1.00 64.21 N ATOM 2061 CA GLN A 131 34.466 21.231 0.116 1.00 62.20 C ATOM 2062 C GLN A 131 34.096 20.706 1.505 1.00 54.33 C ATOM 2063 O GLN A 131 33.169 21.212 2.136 1.00 3.23 O ATOM 2064 CB GLN A 131 35.172 22.585 0.212 1.00 62.34 C ATOM 2065 CG GLN A 131 36.187 22.594 1.357 1.00 50.34 C ATOM 2066 CD GLN A 131 35.744 23.541 2.474 1.00 31.10 C ATOM 2067 OE1 GLN A 131 36.539 24.234 3.087 1.00 31.14 O ATOM 2068 NE2 GLN A 131 34.434 23.532 2.703 1.00 32.32 N ATOM 0 H GLN A 131 33.220 22.167 -1.285 1.00 64.21 H new ATOM 0 HA GLN A 131 35.161 20.528 -0.344 1.00 62.20 H new ATOM 0 HB2 GLN A 131 35.678 22.803 -0.729 1.00 62.34 H new ATOM 0 HB3 GLN A 131 34.435 23.373 0.368 1.00 62.34 H new ATOM 0 HG2 GLN A 131 36.302 21.585 1.754 1.00 50.34 H new ATOM 0 HG3 GLN A 131 37.163 22.901 0.981 1.00 50.34 H new ATOM 0 HE21 GLN A 131 33.824 22.927 2.153 1.00 32.32 H new ATOM 0 HE22 GLN A 131 34.039 24.130 3.429 1.00 32.32 H new ATOM 2077 N THR A 132 34.838 19.699 1.939 1.00 22.23 N ATOM 2078 CA THR A 132 34.599 19.100 3.242 1.00 42.34 C ATOM 2079 C THR A 132 34.607 20.174 4.331 1.00 14.14 C ATOM 2080 O THR A 132 35.358 21.144 4.247 1.00 25.14 O ATOM 2081 CB THR A 132 35.647 18.007 3.459 1.00 60.11 C ATOM 2082 OG1 THR A 132 35.316 17.457 4.731 1.00 21.20 O ATOM 2083 CG2 THR A 132 37.054 18.575 3.653 1.00 24.32 C ATOM 0 H THR A 132 35.605 19.282 1.412 1.00 22.23 H new ATOM 0 HA THR A 132 33.613 18.639 3.291 1.00 42.34 H new ATOM 0 HB THR A 132 35.645 17.327 2.607 1.00 60.11 H new ATOM 0 HG1 THR A 132 35.945 16.739 4.950 1.00 21.20 H new ATOM 0 HG21 THR A 132 37.759 17.757 3.803 1.00 24.32 H new ATOM 0 HG22 THR A 132 37.342 19.145 2.769 1.00 24.32 H new ATOM 0 HG23 THR A 132 37.065 19.228 4.525 1.00 24.32 H new TER 2091 THR A 132