USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 45 GLN : amide:sc= -0.211 X(o=-3.1,f=-3.3) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.714 K(o=-3.1,f=-4.9!) USER MOD Set 1.3: A 68 TYR OH : rot -39:sc= -2.21 USER MOD Set 2.1: A 51 TYR OH : rot 30:sc= -0.937 USER MOD Set 2.2: A 63 THR OG1 : rot 92:sc= -0.62 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0673 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.053) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= -0.0444 (180deg=-0.11) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -135:sc= -0.244 (180deg=-1.09) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.44) USER MOD Single : A 49 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 15:sc= -0.272 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.74) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.28) USER MOD Single : A 70 HIS : no HE2:sc= -7.69! C(o=-7.7!,f=-11!) USER MOD Single : A 74 THR OG1 : rot 107:sc= 1.18 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 82 GLN : amide:sc=-0.00206 K(o=-0.0021,f=-0.62) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.112) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0895 X(o=-0.09,f=-0.27) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0542 X(o=-0.054,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.863 -0.774 23.620 1.00 0.00 N ATOM 2 CA GLY A 1 -31.428 -0.473 24.963 1.00 0.00 C ATOM 3 C GLY A 1 -31.044 -1.512 26.000 1.00 0.00 C ATOM 4 O GLY A 1 -30.147 -2.322 25.767 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.388 0.072 23.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.176 -1.551 23.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.630 -1.054 22.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.080 0.507 25.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.514 -0.418 24.893 1.00 0.00 H new ATOM 10 N PRO A 2 -31.711 -1.516 27.167 1.00 0.00 N ATOM 11 CA PRO A 2 -31.423 -2.474 28.239 1.00 0.00 C ATOM 12 C PRO A 2 -31.846 -3.895 27.880 1.00 0.00 C ATOM 13 O PRO A 2 -31.365 -4.863 28.470 1.00 0.00 O ATOM 14 CB PRO A 2 -32.252 -1.953 29.416 1.00 0.00 C ATOM 15 CG PRO A 2 -33.365 -1.190 28.785 1.00 0.00 C ATOM 16 CD PRO A 2 -32.797 -0.587 27.531 1.00 0.00 C ATOM 0 HA PRO A 2 -30.355 -2.539 28.447 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -32.630 -2.772 30.028 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -31.656 -1.316 30.069 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -34.206 -1.845 28.557 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -33.737 -0.416 29.456 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.547 -0.517 26.743 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -32.422 0.422 27.704 1.00 0.00 H new ATOM 24 N GLY A 3 -32.748 -4.015 26.909 1.00 0.00 N ATOM 25 CA GLY A 3 -33.219 -5.323 26.491 1.00 0.00 C ATOM 26 C GLY A 3 -32.088 -6.245 26.076 1.00 0.00 C ATOM 27 O GLY A 3 -30.954 -5.805 25.895 1.00 0.00 O ATOM 0 H GLY A 3 -33.160 -3.230 26.405 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -33.776 -5.782 27.307 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -33.912 -5.206 25.658 1.00 0.00 H new ATOM 31 N SER A 4 -32.399 -7.528 25.927 1.00 0.00 N ATOM 32 CA SER A 4 -31.402 -8.516 25.533 1.00 0.00 C ATOM 33 C SER A 4 -31.965 -9.475 24.486 1.00 0.00 C ATOM 34 O SER A 4 -33.151 -9.423 24.161 1.00 0.00 O ATOM 35 CB SER A 4 -30.917 -9.299 26.755 1.00 0.00 C ATOM 36 OG SER A 4 -29.504 -9.260 26.859 1.00 0.00 O ATOM 0 H SER A 4 -33.334 -7.908 26.073 1.00 0.00 H new ATOM 0 HA SER A 4 -30.557 -7.986 25.093 1.00 0.00 H new ATOM 0 HB2 SER A 4 -31.363 -8.882 27.658 1.00 0.00 H new ATOM 0 HB3 SER A 4 -31.251 -10.334 26.683 1.00 0.00 H new ATOM 0 HG SER A 4 -29.220 -9.766 27.649 1.00 0.00 H new ATOM 42 N LEU A 5 -31.109 -10.347 23.967 1.00 0.00 N ATOM 43 CA LEU A 5 -31.522 -11.316 22.960 1.00 0.00 C ATOM 44 C LEU A 5 -31.911 -12.640 23.607 1.00 0.00 C ATOM 45 O LEU A 5 -31.720 -12.836 24.808 1.00 0.00 O ATOM 46 CB LEU A 5 -30.397 -11.541 21.946 1.00 0.00 C ATOM 47 CG LEU A 5 -29.998 -10.307 21.136 1.00 0.00 C ATOM 48 CD1 LEU A 5 -28.762 -10.596 20.299 1.00 0.00 C ATOM 49 CD2 LEU A 5 -31.151 -9.859 20.251 1.00 0.00 C ATOM 0 H LEU A 5 -30.124 -10.403 24.227 1.00 0.00 H new ATOM 0 HA LEU A 5 -32.393 -10.915 22.442 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -29.518 -11.908 22.477 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -30.703 -12.327 21.255 1.00 0.00 H new ATOM 0 HG LEU A 5 -29.761 -9.499 21.829 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -28.492 -9.707 19.729 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -27.935 -10.872 20.954 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -28.971 -11.417 19.613 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -30.852 -8.980 19.681 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -31.417 -10.663 19.565 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -32.012 -9.613 20.872 1.00 0.00 H new ATOM 61 N SER A 6 -32.461 -13.547 22.806 1.00 0.00 N ATOM 62 CA SER A 6 -32.878 -14.854 23.302 1.00 0.00 C ATOM 63 C SER A 6 -31.918 -15.945 22.840 1.00 0.00 C ATOM 64 O SER A 6 -31.674 -16.916 23.558 1.00 0.00 O ATOM 65 CB SER A 6 -34.299 -15.172 22.829 1.00 0.00 C ATOM 66 OG SER A 6 -34.869 -16.218 23.596 1.00 0.00 O ATOM 0 H SER A 6 -32.628 -13.401 21.810 1.00 0.00 H new ATOM 0 HA SER A 6 -32.863 -14.823 24.391 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.920 -14.280 22.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.280 -15.457 21.777 1.00 0.00 H new ATOM 0 HG SER A 6 -35.777 -16.401 23.276 1.00 0.00 H new ATOM 72 N ASN A 7 -31.376 -15.780 21.638 1.00 0.00 N ATOM 73 CA ASN A 7 -30.443 -16.751 21.081 1.00 0.00 C ATOM 74 C ASN A 7 -29.227 -16.052 20.479 1.00 0.00 C ATOM 75 O ASN A 7 -29.261 -15.603 19.333 1.00 0.00 O ATOM 76 CB ASN A 7 -31.135 -17.602 20.016 1.00 0.00 C ATOM 77 CG ASN A 7 -30.451 -18.940 19.810 1.00 0.00 C ATOM 78 OD1 ASN A 7 -30.741 -19.913 20.507 1.00 0.00 O ATOM 79 ND2 ASN A 7 -29.535 -18.996 18.850 1.00 0.00 N ATOM 0 H ASN A 7 -31.567 -14.983 21.031 1.00 0.00 H new ATOM 0 HA ASN A 7 -30.105 -17.399 21.890 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -32.173 -17.768 20.306 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -31.151 -17.056 19.073 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -29.041 -19.869 18.667 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -29.326 -18.166 18.296 1.00 0.00 H new ATOM 86 N PHE A 8 -28.155 -15.964 21.259 1.00 0.00 N ATOM 87 CA PHE A 8 -26.928 -15.318 20.804 1.00 0.00 C ATOM 88 C PHE A 8 -25.818 -16.344 20.602 1.00 0.00 C ATOM 89 O PHE A 8 -25.923 -17.486 21.047 1.00 0.00 O ATOM 90 CB PHE A 8 -26.481 -14.257 21.811 1.00 0.00 C ATOM 91 CG PHE A 8 -26.442 -14.753 23.227 1.00 0.00 C ATOM 92 CD1 PHE A 8 -27.589 -14.761 24.005 1.00 0.00 C ATOM 93 CD2 PHE A 8 -25.258 -15.212 23.782 1.00 0.00 C ATOM 94 CE1 PHE A 8 -27.555 -15.216 25.310 1.00 0.00 C ATOM 95 CE2 PHE A 8 -25.217 -15.669 25.086 1.00 0.00 C ATOM 96 CZ PHE A 8 -26.367 -15.671 25.850 1.00 0.00 C ATOM 0 H PHE A 8 -28.110 -16.332 22.209 1.00 0.00 H new ATOM 0 HA PHE A 8 -27.133 -14.837 19.848 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -25.490 -13.898 21.533 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -27.157 -13.404 21.752 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -28.520 -14.408 23.587 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -24.356 -15.213 23.188 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -28.455 -15.216 25.907 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -24.287 -16.024 25.506 1.00 0.00 H new ATOM 0 HZ PHE A 8 -26.338 -16.028 26.869 1.00 0.00 H new ATOM 106 N ALA A 9 -24.750 -15.927 19.927 1.00 0.00 N ATOM 107 CA ALA A 9 -23.618 -16.807 19.665 1.00 0.00 C ATOM 108 C ALA A 9 -22.317 -16.189 20.164 1.00 0.00 C ATOM 109 O ALA A 9 -21.503 -16.860 20.800 1.00 0.00 O ATOM 110 CB ALA A 9 -23.523 -17.115 18.178 1.00 0.00 C ATOM 0 H ALA A 9 -24.646 -14.984 19.552 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.779 -17.738 20.208 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -22.673 -17.773 17.996 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -24.439 -17.606 17.849 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -23.389 -16.187 17.622 1.00 0.00 H new ATOM 116 N ASN A 10 -22.125 -14.907 19.870 1.00 0.00 N ATOM 117 CA ASN A 10 -20.921 -14.198 20.288 1.00 0.00 C ATOM 118 C ASN A 10 -21.088 -13.625 21.692 1.00 0.00 C ATOM 119 O ASN A 10 -22.180 -13.654 22.260 1.00 0.00 O ATOM 120 CB ASN A 10 -20.595 -13.077 19.298 1.00 0.00 C ATOM 121 CG ASN A 10 -19.314 -13.338 18.528 1.00 0.00 C ATOM 122 OD1 ASN A 10 -18.511 -12.432 18.313 1.00 0.00 O ATOM 123 ND2 ASN A 10 -19.119 -14.585 18.112 1.00 0.00 N ATOM 0 H ASN A 10 -22.788 -14.338 19.344 1.00 0.00 H new ATOM 0 HA ASN A 10 -20.095 -14.909 20.303 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -21.421 -12.965 18.596 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -20.505 -12.134 19.838 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.275 -14.823 17.591 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -19.813 -15.304 18.314 1.00 0.00 H new ATOM 130 N VAL A 11 -19.997 -13.105 22.246 1.00 0.00 N ATOM 131 CA VAL A 11 -20.021 -12.524 23.583 1.00 0.00 C ATOM 132 C VAL A 11 -20.411 -13.565 24.628 1.00 0.00 C ATOM 133 O VAL A 11 -21.583 -13.920 24.758 1.00 0.00 O ATOM 134 CB VAL A 11 -21.001 -11.340 23.664 1.00 0.00 C ATOM 135 CG1 VAL A 11 -20.867 -10.623 24.999 1.00 0.00 C ATOM 136 CG2 VAL A 11 -20.773 -10.378 22.509 1.00 0.00 C ATOM 0 H VAL A 11 -19.085 -13.074 21.789 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.013 -12.165 23.790 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.017 -11.729 23.588 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.568 -9.789 25.036 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.087 -11.318 25.809 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.850 -10.247 25.109 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -21.475 -9.547 22.583 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -19.753 -9.996 22.550 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -20.927 -10.900 21.565 1.00 0.00 H new ATOM 146 N GLY A 12 -19.422 -14.049 25.372 1.00 0.00 N ATOM 147 CA GLY A 12 -19.682 -15.044 26.396 1.00 0.00 C ATOM 148 C GLY A 12 -18.481 -15.282 27.290 1.00 0.00 C ATOM 149 O GLY A 12 -17.788 -14.338 27.675 1.00 0.00 O ATOM 0 H GLY A 12 -18.445 -13.770 25.284 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.527 -14.722 27.005 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.970 -15.982 25.922 1.00 0.00 H new ATOM 153 N VAL A 13 -18.233 -16.544 27.619 1.00 0.00 N ATOM 154 CA VAL A 13 -17.107 -16.904 28.474 1.00 0.00 C ATOM 155 C VAL A 13 -16.017 -17.610 27.676 1.00 0.00 C ATOM 156 O VAL A 13 -16.292 -18.249 26.661 1.00 0.00 O ATOM 157 CB VAL A 13 -17.550 -17.814 29.635 1.00 0.00 C ATOM 158 CG1 VAL A 13 -16.398 -18.046 30.603 1.00 0.00 C ATOM 159 CG2 VAL A 13 -18.750 -17.220 30.356 1.00 0.00 C ATOM 0 H VAL A 13 -18.796 -17.335 27.307 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.711 -15.975 28.884 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.847 -18.778 29.221 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.730 -18.691 31.416 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.571 -18.523 30.077 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.067 -17.091 31.010 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.047 -17.879 31.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.486 -16.241 30.757 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.579 -17.114 29.656 1.00 0.00 H new ATOM 169 N GLY A 14 -14.777 -17.492 28.144 1.00 0.00 N ATOM 170 CA GLY A 14 -13.664 -18.127 27.462 1.00 0.00 C ATOM 171 C GLY A 14 -12.889 -17.159 26.589 1.00 0.00 C ATOM 172 O GLY A 14 -12.297 -17.556 25.586 1.00 0.00 O ATOM 0 H GLY A 14 -14.524 -16.969 28.982 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.991 -18.564 28.200 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.038 -18.946 26.847 1.00 0.00 H new ATOM 176 N THR A 15 -12.893 -15.886 26.973 1.00 0.00 N ATOM 177 CA THR A 15 -12.185 -14.859 26.218 1.00 0.00 C ATOM 178 C THR A 15 -11.713 -13.735 27.136 1.00 0.00 C ATOM 179 O THR A 15 -12.431 -12.762 27.361 1.00 0.00 O ATOM 180 CB THR A 15 -13.085 -14.292 25.120 1.00 0.00 C ATOM 181 OG1 THR A 15 -12.425 -13.252 24.417 1.00 0.00 O ATOM 182 CG2 THR A 15 -14.391 -13.733 25.644 1.00 0.00 C ATOM 0 H THR A 15 -13.378 -15.542 27.802 1.00 0.00 H new ATOM 0 HA THR A 15 -11.310 -15.320 25.759 1.00 0.00 H new ATOM 0 HB THR A 15 -13.306 -15.135 24.465 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.016 -12.903 23.718 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.981 -13.347 24.813 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.948 -14.522 26.149 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.185 -12.927 26.348 1.00 0.00 H new ATOM 190 N SER A 16 -10.502 -13.880 27.664 1.00 0.00 N ATOM 191 CA SER A 16 -9.934 -12.876 28.557 1.00 0.00 C ATOM 192 C SER A 16 -9.424 -11.674 27.772 1.00 0.00 C ATOM 193 O SER A 16 -9.666 -10.526 28.146 1.00 0.00 O ATOM 194 CB SER A 16 -8.795 -13.483 29.380 1.00 0.00 C ATOM 195 OG SER A 16 -8.120 -12.489 30.129 1.00 0.00 O ATOM 0 H SER A 16 -9.896 -14.682 27.489 1.00 0.00 H new ATOM 0 HA SER A 16 -10.722 -12.538 29.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.193 -14.242 30.053 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.090 -13.984 28.717 1.00 0.00 H new ATOM 0 HG SER A 16 -7.398 -12.903 30.647 1.00 0.00 H new ATOM 201 N SER A 17 -8.716 -11.944 26.680 1.00 0.00 N ATOM 202 CA SER A 17 -8.171 -10.883 25.841 1.00 0.00 C ATOM 203 C SER A 17 -7.880 -11.397 24.434 1.00 0.00 C ATOM 204 O SER A 17 -7.507 -12.556 24.250 1.00 0.00 O ATOM 205 CB SER A 17 -6.894 -10.316 26.464 1.00 0.00 C ATOM 206 OG SER A 17 -6.054 -11.354 26.939 1.00 0.00 O ATOM 0 H SER A 17 -8.506 -12.888 26.356 1.00 0.00 H new ATOM 0 HA SER A 17 -8.916 -10.090 25.772 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.359 -9.720 25.725 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.152 -9.648 27.286 1.00 0.00 H new ATOM 0 HG SER A 17 -5.244 -10.966 27.331 1.00 0.00 H new ATOM 212 N GLY A 18 -8.053 -10.527 23.445 1.00 0.00 N ATOM 213 CA GLY A 18 -7.804 -10.910 22.067 1.00 0.00 C ATOM 214 C GLY A 18 -6.569 -10.244 21.493 1.00 0.00 C ATOM 215 O GLY A 18 -5.445 -10.663 21.771 1.00 0.00 O ATOM 0 H GLY A 18 -8.361 -9.563 23.573 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.689 -11.992 22.009 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.670 -10.649 21.459 1.00 0.00 H new ATOM 219 N LYS A 19 -6.778 -9.205 20.692 1.00 0.00 N ATOM 220 CA LYS A 19 -5.672 -8.479 20.077 1.00 0.00 C ATOM 221 C LYS A 19 -4.877 -9.387 19.142 1.00 0.00 C ATOM 222 O LYS A 19 -3.651 -9.304 19.074 1.00 0.00 O ATOM 223 CB LYS A 19 -4.751 -7.902 21.153 1.00 0.00 C ATOM 224 CG LYS A 19 -3.778 -6.859 20.627 1.00 0.00 C ATOM 225 CD LYS A 19 -3.160 -6.051 21.758 1.00 0.00 C ATOM 226 CE LYS A 19 -3.849 -4.707 21.924 1.00 0.00 C ATOM 227 NZ LYS A 19 -5.232 -4.852 22.457 1.00 0.00 N ATOM 0 H LYS A 19 -7.703 -8.846 20.453 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.090 -7.661 19.490 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.360 -7.455 21.939 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.187 -8.715 21.610 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.990 -7.350 20.057 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.297 -6.189 19.941 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.230 -6.614 22.689 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.100 -5.895 21.558 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.264 -4.081 22.598 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.883 -4.195 20.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.636 -3.910 22.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.820 -5.356 21.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.207 -5.392 23.346 1.00 0.00 H new ATOM 241 N GLN A 20 -5.586 -10.252 18.424 1.00 0.00 N ATOM 242 CA GLN A 20 -4.948 -11.174 17.492 1.00 0.00 C ATOM 243 C GLN A 20 -5.990 -11.890 16.638 1.00 0.00 C ATOM 244 O GLN A 20 -6.276 -13.070 16.847 1.00 0.00 O ATOM 245 CB GLN A 20 -4.101 -12.197 18.253 1.00 0.00 C ATOM 246 CG GLN A 20 -4.846 -12.879 19.388 1.00 0.00 C ATOM 247 CD GLN A 20 -4.143 -14.128 19.880 1.00 0.00 C ATOM 248 OE1 GLN A 20 -3.000 -14.073 20.334 1.00 0.00 O ATOM 249 NE2 GLN A 20 -4.823 -15.265 19.790 1.00 0.00 N ATOM 0 H GLN A 20 -6.602 -10.334 18.470 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.300 -10.597 16.833 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.747 -12.955 17.554 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.219 -11.699 18.656 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.958 -12.179 20.216 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.850 -13.140 19.053 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.768 -15.265 19.407 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.400 -16.138 20.104 1.00 0.00 H new ATOM 258 N LYS A 21 -6.554 -11.169 15.673 1.00 0.00 N ATOM 259 CA LYS A 21 -7.563 -11.736 14.787 1.00 0.00 C ATOM 260 C LYS A 21 -7.812 -10.821 13.592 1.00 0.00 C ATOM 261 O LYS A 21 -8.314 -9.706 13.744 1.00 0.00 O ATOM 262 CB LYS A 21 -8.870 -11.968 15.551 1.00 0.00 C ATOM 263 CG LYS A 21 -9.066 -13.408 15.995 1.00 0.00 C ATOM 264 CD LYS A 21 -10.536 -13.726 16.221 1.00 0.00 C ATOM 265 CE LYS A 21 -10.887 -15.117 15.722 1.00 0.00 C ATOM 266 NZ LYS A 21 -12.354 -15.373 15.776 1.00 0.00 N ATOM 0 H LYS A 21 -6.329 -10.192 15.486 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.193 -12.692 14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.889 -11.320 16.427 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.708 -11.674 14.919 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.659 -14.081 15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.509 -13.585 16.915 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.767 -13.650 17.284 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.152 -12.988 15.708 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.536 -15.234 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.366 -15.861 16.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.552 -16.333 15.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.686 -15.286 16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.850 -14.679 15.181 1.00 0.00 H new ATOM 280 N ARG A 22 -7.461 -11.299 12.403 1.00 0.00 N ATOM 281 CA ARG A 22 -7.647 -10.525 11.182 1.00 0.00 C ATOM 282 C ARG A 22 -6.864 -9.218 11.241 1.00 0.00 C ATOM 283 O ARG A 22 -7.299 -8.197 10.706 1.00 0.00 O ATOM 284 CB ARG A 22 -9.132 -10.235 10.958 1.00 0.00 C ATOM 285 CG ARG A 22 -9.961 -11.479 10.685 1.00 0.00 C ATOM 286 CD ARG A 22 -11.424 -11.134 10.452 1.00 0.00 C ATOM 287 NE ARG A 22 -12.146 -10.932 11.705 1.00 0.00 N ATOM 288 CZ ARG A 22 -13.472 -10.969 11.812 1.00 0.00 C ATOM 289 NH1 ARG A 22 -14.224 -11.199 10.743 1.00 0.00 N ATOM 290 NH2 ARG A 22 -14.047 -10.776 12.990 1.00 0.00 N ATOM 0 H ARG A 22 -7.046 -12.220 12.259 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.270 -11.115 10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.531 -9.728 11.837 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.237 -9.548 10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.565 -11.997 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.878 -12.165 11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.491 -10.231 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.899 -11.935 9.885 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.602 -10.752 12.549 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.786 -11.348 9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.240 -11.226 10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.473 -10.599 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.063 -10.804 13.072 1.00 0.00 H new ATOM 304 N TYR A 23 -5.708 -9.255 11.895 1.00 0.00 N ATOM 305 CA TYR A 23 -4.864 -8.073 12.024 1.00 0.00 C ATOM 306 C TYR A 23 -4.440 -7.555 10.651 1.00 0.00 C ATOM 307 O TYR A 23 -4.254 -6.353 10.461 1.00 0.00 O ATOM 308 CB TYR A 23 -3.629 -8.392 12.869 1.00 0.00 C ATOM 309 CG TYR A 23 -3.495 -7.523 14.099 1.00 0.00 C ATOM 310 CD1 TYR A 23 -3.349 -6.146 13.987 1.00 0.00 C ATOM 311 CD2 TYR A 23 -3.515 -8.080 15.371 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.226 -5.348 15.107 1.00 0.00 C ATOM 313 CE2 TYR A 23 -3.393 -7.288 16.498 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.249 -5.925 16.361 1.00 0.00 C ATOM 315 OH TYR A 23 -3.128 -5.133 17.480 1.00 0.00 O ATOM 0 H TYR A 23 -5.334 -10.091 12.344 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.443 -7.295 12.522 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.669 -9.437 13.176 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.738 -8.275 12.253 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.331 -5.692 13.007 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.628 -9.148 15.482 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.113 -4.279 15.003 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.411 -7.736 17.481 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.502 -4.246 17.295 1.00 0.00 H new ATOM 325 N LYS A 24 -4.291 -8.470 9.701 1.00 0.00 N ATOM 326 CA LYS A 24 -3.891 -8.107 8.347 1.00 0.00 C ATOM 327 C LYS A 24 -5.090 -8.080 7.413 1.00 0.00 C ATOM 328 O LYS A 24 -5.768 -9.089 7.213 1.00 0.00 O ATOM 329 CB LYS A 24 -2.839 -9.087 7.821 1.00 0.00 C ATOM 330 CG LYS A 24 -1.631 -9.229 8.734 1.00 0.00 C ATOM 331 CD LYS A 24 -1.438 -10.667 9.189 1.00 0.00 C ATOM 332 CE LYS A 24 -0.023 -10.907 9.690 1.00 0.00 C ATOM 333 NZ LYS A 24 0.302 -10.054 10.866 1.00 0.00 N ATOM 0 H LYS A 24 -4.441 -9.469 9.843 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.459 -7.107 8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.300 -10.065 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.504 -8.755 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.737 -8.889 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.755 -8.585 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.150 -10.898 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.652 -11.344 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.093 -11.957 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.686 -10.704 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.247 -9.637 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.403 -9.294 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.290 -10.634 11.729 1.00 0.00 H new ATOM 347 N PHE A 25 -5.338 -6.911 6.843 1.00 0.00 N ATOM 348 CA PHE A 25 -6.447 -6.718 5.922 1.00 0.00 C ATOM 349 C PHE A 25 -6.063 -5.708 4.857 1.00 0.00 C ATOM 350 O PHE A 25 -5.114 -4.945 5.035 1.00 0.00 O ATOM 351 CB PHE A 25 -7.695 -6.249 6.675 1.00 0.00 C ATOM 352 CG PHE A 25 -8.980 -6.731 6.063 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.249 -8.086 5.961 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.917 -5.827 5.590 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.431 -8.531 5.400 1.00 0.00 C ATOM 356 CE2 PHE A 25 -11.100 -6.265 5.026 1.00 0.00 C ATOM 357 CZ PHE A 25 -11.358 -7.619 4.931 1.00 0.00 C ATOM 0 H PHE A 25 -4.779 -6.073 7.005 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.674 -7.670 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.640 -6.597 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.703 -5.159 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.527 -8.803 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.721 -4.768 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.630 -9.590 5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.822 -5.550 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.282 -7.964 4.491 1.00 0.00 H new ATOM 367 N SER A 26 -6.799 -5.696 3.751 1.00 0.00 N ATOM 368 CA SER A 26 -6.522 -4.756 2.671 1.00 0.00 C ATOM 369 C SER A 26 -6.903 -3.343 3.103 1.00 0.00 C ATOM 370 O SER A 26 -7.580 -2.618 2.373 1.00 0.00 O ATOM 371 CB SER A 26 -7.294 -5.149 1.410 1.00 0.00 C ATOM 372 OG SER A 26 -6.613 -4.727 0.241 1.00 0.00 O ATOM 0 H SER A 26 -7.586 -6.321 3.579 1.00 0.00 H new ATOM 0 HA SER A 26 -5.456 -4.784 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.429 -6.230 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.289 -4.704 1.436 1.00 0.00 H new ATOM 0 HG SER A 26 -7.127 -4.992 -0.550 1.00 0.00 H new ATOM 378 N ALA A 27 -6.466 -2.969 4.306 1.00 0.00 N ATOM 379 CA ALA A 27 -6.754 -1.661 4.871 1.00 0.00 C ATOM 380 C ALA A 27 -6.459 -1.646 6.369 1.00 0.00 C ATOM 381 O ALA A 27 -6.244 -0.585 6.955 1.00 0.00 O ATOM 382 CB ALA A 27 -8.204 -1.279 4.624 1.00 0.00 C ATOM 0 H ALA A 27 -5.904 -3.567 4.911 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.111 -0.931 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.400 -0.297 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.395 -1.250 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.859 -2.016 5.089 1.00 0.00 H new ATOM 388 N SER A 28 -6.450 -2.829 6.992 1.00 0.00 N ATOM 389 CA SER A 28 -6.181 -2.929 8.423 1.00 0.00 C ATOM 390 C SER A 28 -4.829 -2.316 8.772 1.00 0.00 C ATOM 391 O SER A 28 -4.629 -1.818 9.880 1.00 0.00 O ATOM 392 CB SER A 28 -6.225 -4.390 8.874 1.00 0.00 C ATOM 393 OG SER A 28 -7.501 -4.726 9.391 1.00 0.00 O ATOM 0 H SER A 28 -6.625 -3.721 6.529 1.00 0.00 H new ATOM 0 HA SER A 28 -6.956 -2.371 8.949 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.987 -5.041 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.464 -4.562 9.635 1.00 0.00 H new ATOM 0 HG SER A 28 -7.504 -5.665 9.671 1.00 0.00 H new ATOM 399 N GLU A 29 -3.902 -2.356 7.818 1.00 0.00 N ATOM 400 CA GLU A 29 -2.568 -1.804 8.028 1.00 0.00 C ATOM 401 C GLU A 29 -2.641 -0.319 8.374 1.00 0.00 C ATOM 402 O GLU A 29 -2.035 0.132 9.348 1.00 0.00 O ATOM 403 CB GLU A 29 -1.704 -2.007 6.781 1.00 0.00 C ATOM 404 CG GLU A 29 -2.335 -1.472 5.506 1.00 0.00 C ATOM 405 CD GLU A 29 -1.907 -0.050 5.196 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.856 0.381 5.717 1.00 0.00 O ATOM 407 OE2 GLU A 29 -2.623 0.632 4.433 1.00 0.00 O ATOM 0 H GLU A 29 -4.050 -2.764 6.895 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.113 -2.332 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.742 -1.517 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.504 -3.071 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.064 -2.119 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.420 -1.509 5.599 1.00 0.00 H new ATOM 414 N ASP A 30 -3.389 0.436 7.574 1.00 0.00 N ATOM 415 CA ASP A 30 -3.540 1.869 7.799 1.00 0.00 C ATOM 416 C ASP A 30 -4.068 2.143 9.202 1.00 0.00 C ATOM 417 O ASP A 30 -3.766 3.176 9.802 1.00 0.00 O ATOM 418 CB ASP A 30 -4.484 2.475 6.758 1.00 0.00 C ATOM 419 CG ASP A 30 -3.758 2.895 5.497 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.703 3.554 5.609 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.245 2.569 4.394 1.00 0.00 O ATOM 0 H ASP A 30 -3.899 0.079 6.766 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.559 2.333 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.256 1.748 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.989 3.340 7.189 1.00 0.00 H new ATOM 426 N GLU A 31 -4.853 1.208 9.727 1.00 0.00 N ATOM 427 CA GLU A 31 -5.415 1.347 11.063 1.00 0.00 C ATOM 428 C GLU A 31 -4.330 1.170 12.119 1.00 0.00 C ATOM 429 O GLU A 31 -4.376 1.782 13.186 1.00 0.00 O ATOM 430 CB GLU A 31 -6.531 0.325 11.284 1.00 0.00 C ATOM 431 CG GLU A 31 -7.189 0.430 12.649 1.00 0.00 C ATOM 432 CD GLU A 31 -8.237 -0.641 12.876 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.072 -1.757 12.340 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.224 -0.365 13.591 1.00 0.00 O ATOM 0 H GLU A 31 -5.114 0.347 9.247 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.834 2.349 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.290 0.456 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.123 -0.678 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.425 0.355 13.423 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.651 1.412 12.751 1.00 0.00 H new ATOM 441 N ALA A 32 -3.348 0.328 11.811 1.00 0.00 N ATOM 442 CA ALA A 32 -2.249 0.068 12.729 1.00 0.00 C ATOM 443 C ALA A 32 -1.304 1.261 12.804 1.00 0.00 C ATOM 444 O ALA A 32 -0.729 1.540 13.856 1.00 0.00 O ATOM 445 CB ALA A 32 -1.493 -1.184 12.313 1.00 0.00 C ATOM 0 H ALA A 32 -3.293 -0.185 10.931 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.670 -0.092 13.722 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.675 -1.363 13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.171 -2.038 12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.091 -1.050 11.309 1.00 0.00 H new ATOM 451 N ILE A 33 -1.151 1.966 11.688 1.00 0.00 N ATOM 452 CA ILE A 33 -0.275 3.131 11.654 1.00 0.00 C ATOM 453 C ILE A 33 -0.908 4.297 12.391 1.00 0.00 C ATOM 454 O ILE A 33 -0.236 5.022 13.125 1.00 0.00 O ATOM 455 CB ILE A 33 0.060 3.584 10.219 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.268 2.380 9.300 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.298 4.464 10.230 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.410 2.757 7.841 1.00 0.00 C ATOM 0 H ILE A 33 -1.616 1.755 10.805 1.00 0.00 H new ATOM 0 HA ILE A 33 0.651 2.827 12.142 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.781 4.159 9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.160 1.840 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.574 1.697 9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.529 4.780 9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.115 5.342 10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.140 3.903 10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.555 1.856 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.492 3.271 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.270 3.416 7.717 1.00 0.00 H new ATOM 470 N ILE A 34 -2.210 4.477 12.193 1.00 0.00 N ATOM 471 CA ILE A 34 -2.927 5.559 12.847 1.00 0.00 C ATOM 472 C ILE A 34 -2.932 5.362 14.356 1.00 0.00 C ATOM 473 O ILE A 34 -2.798 6.320 15.118 1.00 0.00 O ATOM 474 CB ILE A 34 -4.378 5.678 12.343 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.128 4.365 12.558 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.397 6.068 10.873 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.597 4.443 12.206 1.00 0.00 C ATOM 0 H ILE A 34 -2.785 3.890 11.588 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.403 6.482 12.598 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.881 6.458 12.915 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.660 3.586 11.957 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.028 4.066 13.601 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.429 6.148 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.897 7.028 10.745 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.879 5.308 10.288 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.066 3.475 12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.080 5.199 12.825 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.706 4.711 11.155 1.00 0.00 H new ATOM 489 N LYS A 35 -3.069 4.111 14.785 1.00 0.00 N ATOM 490 CA LYS A 35 -3.073 3.795 16.206 1.00 0.00 C ATOM 491 C LYS A 35 -1.673 3.958 16.780 1.00 0.00 C ATOM 492 O LYS A 35 -1.497 4.443 17.898 1.00 0.00 O ATOM 493 CB LYS A 35 -3.574 2.368 16.436 1.00 0.00 C ATOM 494 CG LYS A 35 -3.834 2.045 17.899 1.00 0.00 C ATOM 495 CD LYS A 35 -5.138 1.285 18.081 1.00 0.00 C ATOM 496 CE LYS A 35 -5.105 0.411 19.323 1.00 0.00 C ATOM 497 NZ LYS A 35 -6.419 -0.240 19.579 1.00 0.00 N ATOM 0 H LYS A 35 -3.178 3.304 14.171 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.747 4.484 16.714 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.494 2.219 15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.840 1.666 16.042 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.009 1.452 18.294 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.867 2.969 18.476 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.965 1.991 18.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.325 0.665 17.204 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.337 -0.354 19.208 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.826 1.016 20.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.355 -0.827 20.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.148 0.490 19.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.674 -0.838 18.767 1.00 0.00 H new ATOM 511 N GLY A 36 -0.678 3.562 15.994 1.00 0.00 N ATOM 512 CA GLY A 36 0.700 3.683 16.424 1.00 0.00 C ATOM 513 C GLY A 36 1.152 5.126 16.470 1.00 0.00 C ATOM 514 O GLY A 36 1.887 5.529 17.373 1.00 0.00 O ATOM 0 H GLY A 36 -0.803 3.159 15.065 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.813 3.236 17.412 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.343 3.123 15.745 1.00 0.00 H new ATOM 518 N LEU A 37 0.706 5.909 15.494 1.00 0.00 N ATOM 519 CA LEU A 37 1.059 7.320 15.419 1.00 0.00 C ATOM 520 C LEU A 37 0.416 8.100 16.560 1.00 0.00 C ATOM 521 O LEU A 37 0.987 9.066 17.066 1.00 0.00 O ATOM 522 CB LEU A 37 0.619 7.906 14.075 1.00 0.00 C ATOM 523 CG LEU A 37 1.407 7.409 12.862 1.00 0.00 C ATOM 524 CD1 LEU A 37 0.628 7.663 11.581 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.769 8.082 12.801 1.00 0.00 C ATOM 0 H LEU A 37 0.097 5.588 14.741 1.00 0.00 H new ATOM 0 HA LEU A 37 2.142 7.405 15.508 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.435 7.675 13.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.704 8.992 14.124 1.00 0.00 H new ATOM 0 HG LEU A 37 1.558 6.334 12.965 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.203 7.303 10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.325 7.136 11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.447 8.732 11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.317 7.717 11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.638 9.161 12.721 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.330 7.851 13.707 1.00 0.00 H new ATOM 537 N ALA A 38 -0.780 7.676 16.960 1.00 0.00 N ATOM 538 CA ALA A 38 -1.500 8.338 18.040 1.00 0.00 C ATOM 539 C ALA A 38 -0.868 8.038 19.396 1.00 0.00 C ATOM 540 O ALA A 38 -1.028 8.802 20.347 1.00 0.00 O ATOM 541 CB ALA A 38 -2.961 7.914 18.034 1.00 0.00 C ATOM 0 H ALA A 38 -1.269 6.879 16.553 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.440 9.414 17.874 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.489 8.415 18.845 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.415 8.188 17.082 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.027 6.835 18.170 1.00 0.00 H new ATOM 547 N ARG A 39 -0.153 6.919 19.483 1.00 0.00 N ATOM 548 CA ARG A 39 0.494 6.524 20.730 1.00 0.00 C ATOM 549 C ARG A 39 1.989 6.830 20.706 1.00 0.00 C ATOM 550 O ARG A 39 2.599 7.062 21.749 1.00 0.00 O ATOM 551 CB ARG A 39 0.269 5.035 20.996 1.00 0.00 C ATOM 552 CG ARG A 39 0.020 4.710 22.460 1.00 0.00 C ATOM 553 CD ARG A 39 1.323 4.500 23.216 1.00 0.00 C ATOM 554 NE ARG A 39 1.595 3.085 23.454 1.00 0.00 N ATOM 555 CZ ARG A 39 2.451 2.639 24.371 1.00 0.00 C ATOM 556 NH1 ARG A 39 3.120 3.494 25.136 1.00 0.00 N ATOM 557 NH2 ARG A 39 2.639 1.336 24.524 1.00 0.00 N ATOM 0 H ARG A 39 -0.008 6.272 18.708 1.00 0.00 H new ATOM 0 HA ARG A 39 0.044 7.105 21.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.582 4.694 20.407 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.140 4.477 20.651 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.543 5.520 22.923 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.594 3.812 22.535 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.145 4.937 22.650 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.278 5.026 24.170 1.00 0.00 H new ATOM 0 HE ARG A 39 1.100 2.398 22.885 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.979 4.498 25.023 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.775 3.147 25.837 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.128 0.675 23.939 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.295 0.994 25.227 1.00 0.00 H new ATOM 571 N PHE A 40 2.574 6.828 19.514 1.00 0.00 N ATOM 572 CA PHE A 40 4.000 7.103 19.367 1.00 0.00 C ATOM 573 C PHE A 40 4.232 8.469 18.731 1.00 0.00 C ATOM 574 O PHE A 40 3.826 8.713 17.595 1.00 0.00 O ATOM 575 CB PHE A 40 4.663 6.017 18.523 1.00 0.00 C ATOM 576 CG PHE A 40 4.886 4.730 19.264 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.058 4.518 19.973 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.924 3.733 19.252 1.00 0.00 C ATOM 579 CE1 PHE A 40 6.266 3.335 20.657 1.00 0.00 C ATOM 580 CE2 PHE A 40 4.127 2.547 19.933 1.00 0.00 C ATOM 581 CZ PHE A 40 5.299 2.349 20.637 1.00 0.00 C ATOM 0 H PHE A 40 2.086 6.640 18.638 1.00 0.00 H new ATOM 0 HA PHE A 40 4.447 7.107 20.361 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.043 5.820 17.648 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.621 6.387 18.158 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.817 5.286 19.991 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.005 3.884 18.705 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.183 3.182 21.206 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.370 1.776 19.915 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.459 1.424 21.171 1.00 0.00 H new ATOM 591 N THR A 41 4.889 9.356 19.470 1.00 0.00 N ATOM 592 CA THR A 41 5.178 10.699 18.979 1.00 0.00 C ATOM 593 C THR A 41 6.351 11.317 19.735 1.00 0.00 C ATOM 594 O THR A 41 6.192 12.311 20.444 1.00 0.00 O ATOM 595 CB THR A 41 3.941 11.590 19.106 1.00 0.00 C ATOM 596 OG1 THR A 41 3.105 11.142 20.158 1.00 0.00 O ATOM 597 CG2 THR A 41 3.104 11.639 17.845 1.00 0.00 C ATOM 0 H THR A 41 5.232 9.169 20.412 1.00 0.00 H new ATOM 0 HA THR A 41 5.452 10.622 17.927 1.00 0.00 H new ATOM 0 HB THR A 41 4.327 12.590 19.306 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.321 11.726 20.224 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.243 12.288 18.005 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.706 12.029 17.024 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.760 10.635 17.597 1.00 0.00 H new ATOM 605 N LYS A 42 7.528 10.721 19.578 1.00 0.00 N ATOM 606 CA LYS A 42 8.730 11.213 20.244 1.00 0.00 C ATOM 607 C LYS A 42 9.783 11.631 19.225 1.00 0.00 C ATOM 608 O LYS A 42 10.983 11.559 19.492 1.00 0.00 O ATOM 609 CB LYS A 42 9.300 10.138 21.170 1.00 0.00 C ATOM 610 CG LYS A 42 8.500 9.948 22.450 1.00 0.00 C ATOM 611 CD LYS A 42 8.087 8.498 22.644 1.00 0.00 C ATOM 612 CE LYS A 42 6.643 8.269 22.225 1.00 0.00 C ATOM 613 NZ LYS A 42 5.963 7.273 23.100 1.00 0.00 N ATOM 0 H LYS A 42 7.676 9.897 18.996 1.00 0.00 H new ATOM 0 HA LYS A 42 8.456 12.086 20.836 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.339 9.191 20.632 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.326 10.400 21.429 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.095 10.274 23.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.612 10.579 22.421 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.743 7.851 22.062 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.212 8.220 23.691 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.100 9.214 22.260 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.615 7.924 21.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.981 7.145 22.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.466 6.364 23.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.967 7.614 24.082 1.00 0.00 H new ATOM 627 N GLY A 43 9.330 12.071 18.055 1.00 0.00 N ATOM 628 CA GLY A 43 10.249 12.495 17.015 1.00 0.00 C ATOM 629 C GLY A 43 9.600 13.427 16.011 1.00 0.00 C ATOM 630 O GLY A 43 8.670 14.162 16.347 1.00 0.00 O ATOM 0 H GLY A 43 8.343 12.141 17.809 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.103 12.996 17.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.634 11.618 16.495 1.00 0.00 H new ATOM 634 N GLN A 44 10.092 13.403 14.776 1.00 0.00 N ATOM 635 CA GLN A 44 9.556 14.255 13.721 1.00 0.00 C ATOM 636 C GLN A 44 8.859 13.425 12.647 1.00 0.00 C ATOM 637 O GLN A 44 7.912 13.888 12.010 1.00 0.00 O ATOM 638 CB GLN A 44 10.674 15.089 13.095 1.00 0.00 C ATOM 639 CG GLN A 44 10.935 16.398 13.819 1.00 0.00 C ATOM 640 CD GLN A 44 12.412 16.740 13.890 1.00 0.00 C ATOM 641 OE1 GLN A 44 13.191 16.367 13.014 1.00 0.00 O ATOM 642 NE2 GLN A 44 12.803 17.454 14.940 1.00 0.00 N ATOM 0 H GLN A 44 10.862 12.802 14.482 1.00 0.00 H new ATOM 0 HA GLN A 44 8.820 14.923 14.168 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.592 14.501 13.083 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.419 15.302 12.057 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.403 17.203 13.311 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.531 16.337 14.829 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.122 17.742 15.643 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.784 17.714 15.043 1.00 0.00 H new ATOM 651 N GLN A 45 9.332 12.199 12.448 1.00 0.00 N ATOM 652 CA GLN A 45 8.751 11.308 11.449 1.00 0.00 C ATOM 653 C GLN A 45 8.123 10.086 12.110 1.00 0.00 C ATOM 654 O GLN A 45 8.633 8.971 11.993 1.00 0.00 O ATOM 655 CB GLN A 45 9.821 10.869 10.446 1.00 0.00 C ATOM 656 CG GLN A 45 9.954 11.798 9.250 1.00 0.00 C ATOM 657 CD GLN A 45 11.383 11.912 8.759 1.00 0.00 C ATOM 658 OE1 GLN A 45 12.308 12.115 9.545 1.00 0.00 O ATOM 659 NE2 GLN A 45 11.571 11.784 7.449 1.00 0.00 N ATOM 0 H GLN A 45 10.116 11.800 12.965 1.00 0.00 H new ATOM 0 HA GLN A 45 7.969 11.853 10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.782 10.808 10.957 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.584 9.866 10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.323 11.434 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.586 12.788 9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.775 11.616 6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.511 11.853 7.060 1.00 0.00 H new ATOM 668 N ARG A 46 7.011 10.302 12.805 1.00 0.00 N ATOM 669 CA ARG A 46 6.311 9.220 13.486 1.00 0.00 C ATOM 670 C ARG A 46 5.895 8.129 12.504 1.00 0.00 C ATOM 671 O ARG A 46 5.775 6.961 12.875 1.00 0.00 O ATOM 672 CB ARG A 46 5.080 9.762 14.214 1.00 0.00 C ATOM 673 CG ARG A 46 5.383 10.935 15.131 1.00 0.00 C ATOM 674 CD ARG A 46 4.847 12.243 14.570 1.00 0.00 C ATOM 675 NE ARG A 46 3.436 12.148 14.204 1.00 0.00 N ATOM 676 CZ ARG A 46 2.723 13.167 13.730 1.00 0.00 C ATOM 677 NH1 ARG A 46 3.286 14.357 13.563 1.00 0.00 N ATOM 678 NH2 ARG A 46 1.444 12.996 13.423 1.00 0.00 N ATOM 0 H ARG A 46 6.575 11.218 12.911 1.00 0.00 H new ATOM 0 HA ARG A 46 6.995 8.783 14.213 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.339 10.070 13.477 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.632 8.960 14.800 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.943 10.753 16.112 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.461 11.015 15.275 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.977 13.034 15.309 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.430 12.527 13.694 1.00 0.00 H new ATOM 0 HE ARG A 46 2.970 11.248 14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.269 14.494 13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.736 15.135 13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.007 12.083 13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.898 13.777 13.060 1.00 0.00 H new ATOM 692 N PHE A 47 5.670 8.515 11.251 1.00 0.00 N ATOM 693 CA PHE A 47 5.263 7.567 10.219 1.00 0.00 C ATOM 694 C PHE A 47 6.317 6.482 10.018 1.00 0.00 C ATOM 695 O PHE A 47 5.999 5.294 9.963 1.00 0.00 O ATOM 696 CB PHE A 47 5.009 8.299 8.900 1.00 0.00 C ATOM 697 CG PHE A 47 4.186 9.546 9.053 1.00 0.00 C ATOM 698 CD1 PHE A 47 2.863 9.473 9.458 1.00 0.00 C ATOM 699 CD2 PHE A 47 4.737 10.791 8.794 1.00 0.00 C ATOM 700 CE1 PHE A 47 2.104 10.619 9.600 1.00 0.00 C ATOM 701 CE2 PHE A 47 3.983 11.940 8.934 1.00 0.00 C ATOM 702 CZ PHE A 47 2.665 11.854 9.339 1.00 0.00 C ATOM 0 H PHE A 47 5.763 9.477 10.926 1.00 0.00 H new ATOM 0 HA PHE A 47 4.341 7.088 10.548 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.966 8.559 8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.504 7.623 8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.420 8.510 9.665 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.768 10.864 8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.073 10.549 9.915 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.423 12.904 8.727 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.074 12.751 9.451 1.00 0.00 H new ATOM 712 N GLN A 48 7.574 6.896 9.904 1.00 0.00 N ATOM 713 CA GLN A 48 8.668 5.953 9.709 1.00 0.00 C ATOM 714 C GLN A 48 8.909 5.135 10.972 1.00 0.00 C ATOM 715 O GLN A 48 9.015 3.909 10.921 1.00 0.00 O ATOM 716 CB GLN A 48 9.948 6.693 9.313 1.00 0.00 C ATOM 717 CG GLN A 48 9.779 7.601 8.106 1.00 0.00 C ATOM 718 CD GLN A 48 11.104 7.990 7.479 1.00 0.00 C ATOM 719 OE1 GLN A 48 11.454 7.521 6.397 1.00 0.00 O ATOM 720 NE2 GLN A 48 11.849 8.853 8.160 1.00 0.00 N ATOM 0 H GLN A 48 7.860 7.874 9.943 1.00 0.00 H new ATOM 0 HA GLN A 48 8.389 5.274 8.904 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.290 7.288 10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.729 5.963 9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.162 7.098 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.245 8.502 8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.519 9.217 9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.751 9.152 7.789 1.00 0.00 H new ATOM 729 N GLN A 49 8.995 5.821 12.108 1.00 0.00 N ATOM 730 CA GLN A 49 9.223 5.158 13.387 1.00 0.00 C ATOM 731 C GLN A 49 8.134 4.129 13.672 1.00 0.00 C ATOM 732 O GLN A 49 8.422 2.977 13.997 1.00 0.00 O ATOM 733 CB GLN A 49 9.277 6.188 14.518 1.00 0.00 C ATOM 734 CG GLN A 49 10.316 5.870 15.582 1.00 0.00 C ATOM 735 CD GLN A 49 9.928 6.393 16.951 1.00 0.00 C ATOM 736 OE1 GLN A 49 8.793 6.822 17.165 1.00 0.00 O ATOM 737 NE2 GLN A 49 10.870 6.358 17.887 1.00 0.00 N ATOM 0 H GLN A 49 8.910 6.836 12.168 1.00 0.00 H new ATOM 0 HA GLN A 49 10.180 4.639 13.331 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.491 7.169 14.095 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.296 6.251 14.988 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.456 4.790 15.636 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.273 6.302 15.290 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.797 5.994 17.665 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.667 6.695 18.828 1.00 0.00 H new ATOM 746 N ILE A 50 6.879 4.551 13.542 1.00 0.00 N ATOM 747 CA ILE A 50 5.753 3.660 13.786 1.00 0.00 C ATOM 748 C ILE A 50 5.802 2.459 12.847 1.00 0.00 C ATOM 749 O ILE A 50 5.491 1.336 13.243 1.00 0.00 O ATOM 750 CB ILE A 50 4.399 4.395 13.632 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.279 3.595 14.304 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.074 4.653 12.165 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.940 2.300 13.595 1.00 0.00 C ATOM 0 H ILE A 50 6.619 5.499 13.271 1.00 0.00 H new ATOM 0 HA ILE A 50 5.834 3.311 14.816 1.00 0.00 H new ATOM 0 HB ILE A 50 4.481 5.362 14.128 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.571 3.371 15.330 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.384 4.215 14.356 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.118 5.170 12.090 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.856 5.270 11.722 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.016 3.704 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.139 1.791 14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.616 2.517 12.577 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.821 1.659 13.566 1.00 0.00 H new ATOM 765 N TYR A 51 6.200 2.705 11.603 1.00 0.00 N ATOM 766 CA TYR A 51 6.299 1.641 10.611 1.00 0.00 C ATOM 767 C TYR A 51 7.289 0.576 11.062 1.00 0.00 C ATOM 768 O TYR A 51 7.082 -0.617 10.838 1.00 0.00 O ATOM 769 CB TYR A 51 6.725 2.203 9.255 1.00 0.00 C ATOM 770 CG TYR A 51 6.784 1.156 8.165 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.681 0.366 7.874 1.00 0.00 C ATOM 772 CD2 TYR A 51 7.948 0.956 7.432 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.732 -0.596 6.881 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.006 -0.002 6.438 1.00 0.00 C ATOM 775 CZ TYR A 51 6.897 -0.774 6.167 1.00 0.00 C ATOM 776 OH TYR A 51 6.952 -1.729 5.177 1.00 0.00 O ATOM 0 H TYR A 51 6.459 3.630 11.259 1.00 0.00 H new ATOM 0 HA TYR A 51 5.314 1.186 10.509 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.028 2.987 8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.705 2.669 9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.767 0.504 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.820 1.558 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.865 -1.203 6.667 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.917 -0.145 5.876 1.00 0.00 H new ATOM 0 HH TYR A 51 6.062 -1.842 4.782 1.00 0.00 H new ATOM 786 N TYR A 52 8.369 1.017 11.702 1.00 0.00 N ATOM 787 CA TYR A 52 9.395 0.103 12.187 1.00 0.00 C ATOM 788 C TYR A 52 8.841 -0.797 13.284 1.00 0.00 C ATOM 789 O TYR A 52 8.983 -2.019 13.232 1.00 0.00 O ATOM 790 CB TYR A 52 10.599 0.885 12.711 1.00 0.00 C ATOM 791 CG TYR A 52 11.596 1.256 11.635 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.142 0.286 10.804 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.989 2.575 11.451 1.00 0.00 C ATOM 794 CE1 TYR A 52 13.052 0.621 9.819 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.899 2.918 10.467 1.00 0.00 C ATOM 796 CZ TYR A 52 13.428 1.937 9.656 1.00 0.00 C ATOM 797 OH TYR A 52 14.334 2.274 8.677 1.00 0.00 O ATOM 0 H TYR A 52 8.555 2.001 11.896 1.00 0.00 H new ATOM 0 HA TYR A 52 9.715 -0.523 11.354 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.247 1.795 13.197 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.104 0.291 13.473 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.851 -0.746 10.930 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.578 3.346 12.086 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.466 -0.145 9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.193 3.949 10.335 1.00 0.00 H new ATOM 0 HH TYR A 52 14.490 3.241 8.695 1.00 0.00 H new ATOM 807 N ALA A 53 8.210 -0.183 14.275 1.00 0.00 N ATOM 808 CA ALA A 53 7.629 -0.928 15.386 1.00 0.00 C ATOM 809 C ALA A 53 6.518 -1.851 14.900 1.00 0.00 C ATOM 810 O ALA A 53 6.453 -3.019 15.282 1.00 0.00 O ATOM 811 CB ALA A 53 7.099 0.028 16.445 1.00 0.00 C ATOM 0 H ALA A 53 8.087 0.828 14.334 1.00 0.00 H new ATOM 0 HA ALA A 53 8.412 -1.543 15.830 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.668 -0.543 17.268 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.916 0.645 16.820 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.333 0.668 16.007 1.00 0.00 H new ATOM 817 N TYR A 54 5.652 -1.315 14.051 1.00 0.00 N ATOM 818 CA TYR A 54 4.541 -2.084 13.499 1.00 0.00 C ATOM 819 C TYR A 54 5.016 -3.007 12.373 1.00 0.00 C ATOM 820 O TYR A 54 4.234 -3.795 11.839 1.00 0.00 O ATOM 821 CB TYR A 54 3.438 -1.127 13.011 1.00 0.00 C ATOM 822 CG TYR A 54 2.906 -1.409 11.620 1.00 0.00 C ATOM 823 CD1 TYR A 54 3.680 -1.160 10.493 1.00 0.00 C ATOM 824 CD2 TYR A 54 1.627 -1.919 11.436 1.00 0.00 C ATOM 825 CE1 TYR A 54 3.195 -1.412 9.223 1.00 0.00 C ATOM 826 CE2 TYR A 54 1.135 -2.172 10.171 1.00 0.00 C ATOM 827 CZ TYR A 54 1.922 -1.918 9.068 1.00 0.00 C ATOM 828 OH TYR A 54 1.434 -2.169 7.806 1.00 0.00 O ATOM 0 H TYR A 54 5.696 -0.349 13.728 1.00 0.00 H new ATOM 0 HA TYR A 54 4.128 -2.719 14.283 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.607 -1.167 13.715 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.827 -0.109 13.034 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.677 -0.763 10.611 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.007 -2.121 12.297 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.810 -1.214 8.358 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.138 -2.567 10.046 1.00 0.00 H new ATOM 0 HH TYR A 54 2.173 -2.166 7.163 1.00 0.00 H new ATOM 838 N ARG A 55 6.297 -2.908 12.017 1.00 0.00 N ATOM 839 CA ARG A 55 6.864 -3.737 10.956 1.00 0.00 C ATOM 840 C ARG A 55 6.628 -5.218 11.233 1.00 0.00 C ATOM 841 O ARG A 55 7.431 -5.872 11.898 1.00 0.00 O ATOM 842 CB ARG A 55 8.363 -3.465 10.816 1.00 0.00 C ATOM 843 CG ARG A 55 9.003 -4.181 9.637 1.00 0.00 C ATOM 844 CD ARG A 55 10.505 -4.330 9.824 1.00 0.00 C ATOM 845 NE ARG A 55 10.992 -5.622 9.344 1.00 0.00 N ATOM 846 CZ ARG A 55 12.280 -5.934 9.233 1.00 0.00 C ATOM 847 NH1 ARG A 55 13.216 -5.052 9.566 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.637 -7.131 8.787 1.00 0.00 N ATOM 0 H ARG A 55 6.960 -2.263 12.447 1.00 0.00 H new ATOM 0 HA ARG A 55 6.364 -3.479 10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.521 -2.392 10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.867 -3.771 11.733 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.551 -5.166 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.803 -3.626 8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.018 -3.529 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.751 -4.219 10.880 1.00 0.00 H new ATOM 0 HE ARG A 55 10.303 -6.326 9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.948 -4.129 9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.202 -5.297 9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.924 -7.813 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.625 -7.370 8.702 1.00 0.00 H new ATOM 862 N SER A 56 5.519 -5.739 10.718 1.00 0.00 N ATOM 863 CA SER A 56 5.169 -7.144 10.905 1.00 0.00 C ATOM 864 C SER A 56 3.818 -7.450 10.266 1.00 0.00 C ATOM 865 O SER A 56 3.615 -8.525 9.701 1.00 0.00 O ATOM 866 CB SER A 56 5.131 -7.493 12.395 1.00 0.00 C ATOM 867 OG SER A 56 4.384 -6.533 13.124 1.00 0.00 O ATOM 0 H SER A 56 4.845 -5.208 10.166 1.00 0.00 H new ATOM 0 HA SER A 56 5.933 -7.752 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.690 -8.481 12.529 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.147 -7.542 12.787 1.00 0.00 H new ATOM 0 HG SER A 56 4.373 -6.779 14.073 1.00 0.00 H new ATOM 873 N VAL A 57 2.898 -6.496 10.359 1.00 0.00 N ATOM 874 CA VAL A 57 1.567 -6.656 9.791 1.00 0.00 C ATOM 875 C VAL A 57 1.624 -6.719 8.270 1.00 0.00 C ATOM 876 O VAL A 57 1.344 -7.757 7.670 1.00 0.00 O ATOM 877 CB VAL A 57 0.638 -5.498 10.203 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.764 -5.703 9.648 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.606 -5.357 11.716 1.00 0.00 C ATOM 0 H VAL A 57 3.052 -5.601 10.824 1.00 0.00 H new ATOM 0 HA VAL A 57 1.169 -7.593 10.180 1.00 0.00 H new ATOM 0 HB VAL A 57 1.033 -4.574 9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.401 -4.873 9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.722 -5.748 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.175 -6.636 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.055 -4.535 11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.238 -6.282 12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.612 -5.153 12.084 1.00 0.00 H new ATOM 889 N TRP A 58 1.980 -5.600 7.654 1.00 0.00 N ATOM 890 CA TRP A 58 2.065 -5.520 6.203 1.00 0.00 C ATOM 891 C TRP A 58 3.507 -5.312 5.744 1.00 0.00 C ATOM 892 O TRP A 58 4.147 -4.327 6.109 1.00 0.00 O ATOM 893 CB TRP A 58 1.182 -4.381 5.689 1.00 0.00 C ATOM 894 CG TRP A 58 0.351 -4.756 4.499 1.00 0.00 C ATOM 895 CD1 TRP A 58 0.140 -4.001 3.383 1.00 0.00 C ATOM 896 CD2 TRP A 58 -0.381 -5.972 4.307 1.00 0.00 C ATOM 897 NE1 TRP A 58 -0.677 -4.672 2.507 1.00 0.00 N ATOM 898 CE2 TRP A 58 -1.011 -5.885 3.051 1.00 0.00 C ATOM 899 CE3 TRP A 58 -0.567 -7.127 5.073 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -1.809 -6.907 2.544 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -1.361 -8.140 4.570 1.00 0.00 C ATOM 902 CH2 TRP A 58 -1.972 -8.025 3.316 1.00 0.00 C ATOM 0 H TRP A 58 2.215 -4.734 8.138 1.00 0.00 H new ATOM 0 HA TRP A 58 1.712 -6.465 5.790 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.523 -4.052 6.493 1.00 0.00 H new ATOM 0 HB3 TRP A 58 1.814 -3.532 5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.555 -3.019 3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.985 -4.324 1.599 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.098 -7.226 6.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -2.282 -6.821 1.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -1.513 -9.036 5.154 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -2.585 -8.836 2.950 1.00 0.00 H new ATOM 913 N HIS A 59 4.007 -6.245 4.940 1.00 0.00 N ATOM 914 CA HIS A 59 5.372 -6.162 4.426 1.00 0.00 C ATOM 915 C HIS A 59 6.387 -6.100 5.565 1.00 0.00 C ATOM 916 O HIS A 59 7.020 -5.068 5.791 1.00 0.00 O ATOM 917 CB HIS A 59 5.524 -4.939 3.521 1.00 0.00 C ATOM 918 CG HIS A 59 4.723 -5.023 2.259 1.00 0.00 C ATOM 919 ND1 HIS A 59 3.748 -5.977 2.049 1.00 0.00 N ATOM 920 CD2 HIS A 59 4.754 -4.268 1.136 1.00 0.00 C ATOM 921 CE1 HIS A 59 3.216 -5.804 0.853 1.00 0.00 C ATOM 922 NE2 HIS A 59 3.809 -4.774 0.279 1.00 0.00 N ATOM 0 H HIS A 59 3.489 -7.067 4.630 1.00 0.00 H new ATOM 0 HA HIS A 59 5.568 -7.063 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.223 -4.049 4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.576 -4.815 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.402 -3.424 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.430 -6.403 0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.599 -4.412 -0.651 1.00 0.00 H new ATOM 931 N PRO A 60 6.556 -7.210 6.304 1.00 0.00 N ATOM 932 CA PRO A 60 7.500 -7.282 7.425 1.00 0.00 C ATOM 933 C PRO A 60 8.951 -7.153 6.969 1.00 0.00 C ATOM 934 O PRO A 60 9.707 -8.125 6.985 1.00 0.00 O ATOM 935 CB PRO A 60 7.248 -8.672 8.033 1.00 0.00 C ATOM 936 CG PRO A 60 5.948 -9.127 7.459 1.00 0.00 C ATOM 937 CD PRO A 60 5.845 -8.482 6.108 1.00 0.00 C ATOM 0 HA PRO A 60 7.348 -6.466 8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.052 -9.363 7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.201 -8.622 9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.917 -10.213 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.115 -8.832 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.309 -9.090 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.808 -8.325 5.812 1.00 0.00 H new ATOM 945 N ALA A 61 9.335 -5.947 6.562 1.00 0.00 N ATOM 946 CA ALA A 61 10.697 -5.694 6.101 1.00 0.00 C ATOM 947 C ALA A 61 10.903 -4.220 5.774 1.00 0.00 C ATOM 948 O ALA A 61 9.967 -3.423 5.831 1.00 0.00 O ATOM 949 CB ALA A 61 11.012 -6.554 4.885 1.00 0.00 C ATOM 0 H ALA A 61 8.724 -5.131 6.542 1.00 0.00 H new ATOM 0 HA ALA A 61 11.380 -5.959 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.031 -6.355 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.916 -7.607 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.315 -6.317 4.081 1.00 0.00 H new ATOM 955 N ARG A 62 12.137 -3.864 5.430 1.00 0.00 N ATOM 956 CA ARG A 62 12.469 -2.484 5.091 1.00 0.00 C ATOM 957 C ARG A 62 11.648 -2.005 3.898 1.00 0.00 C ATOM 958 O ARG A 62 11.862 -2.445 2.767 1.00 0.00 O ATOM 959 CB ARG A 62 13.964 -2.357 4.786 1.00 0.00 C ATOM 960 CG ARG A 62 14.716 -1.484 5.777 1.00 0.00 C ATOM 961 CD ARG A 62 15.331 -2.311 6.894 1.00 0.00 C ATOM 962 NE ARG A 62 16.202 -1.511 7.750 1.00 0.00 N ATOM 963 CZ ARG A 62 16.859 -1.998 8.801 1.00 0.00 C ATOM 964 NH1 ARG A 62 16.745 -3.279 9.128 1.00 0.00 N ATOM 965 NH2 ARG A 62 17.632 -1.203 9.526 1.00 0.00 N ATOM 0 H ARG A 62 12.923 -4.512 5.379 1.00 0.00 H new ATOM 0 HA ARG A 62 12.228 -1.856 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.410 -3.351 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.088 -1.945 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.500 -0.934 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.036 -0.746 6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.538 -2.754 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.902 -3.134 6.464 1.00 0.00 H new ATOM 0 HE ARG A 62 16.314 -0.521 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.152 -3.896 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.251 -3.647 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.724 -0.218 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.135 -1.576 10.331 1.00 0.00 H new ATOM 979 N THR A 63 10.705 -1.106 4.158 1.00 0.00 N ATOM 980 CA THR A 63 9.850 -0.568 3.106 1.00 0.00 C ATOM 981 C THR A 63 9.158 0.711 3.564 1.00 0.00 C ATOM 982 O THR A 63 7.991 0.943 3.249 1.00 0.00 O ATOM 983 CB THR A 63 8.804 -1.606 2.688 1.00 0.00 C ATOM 984 OG1 THR A 63 9.196 -2.908 3.088 1.00 0.00 O ATOM 985 CG2 THR A 63 8.557 -1.639 1.196 1.00 0.00 C ATOM 0 H THR A 63 10.513 -0.734 5.088 1.00 0.00 H new ATOM 0 HA THR A 63 10.480 -0.330 2.249 1.00 0.00 H new ATOM 0 HB THR A 63 7.884 -1.302 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.821 -3.105 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.806 -2.395 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.202 -0.663 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.485 -1.882 0.679 1.00 0.00 H new ATOM 993 N VAL A 64 9.884 1.544 4.306 1.00 0.00 N ATOM 994 CA VAL A 64 9.331 2.801 4.794 1.00 0.00 C ATOM 995 C VAL A 64 8.768 3.622 3.638 1.00 0.00 C ATOM 996 O VAL A 64 7.777 4.342 3.793 1.00 0.00 O ATOM 997 CB VAL A 64 10.386 3.632 5.550 1.00 0.00 C ATOM 998 CG1 VAL A 64 11.503 4.071 4.613 1.00 0.00 C ATOM 999 CG2 VAL A 64 9.736 4.832 6.221 1.00 0.00 C ATOM 0 H VAL A 64 10.851 1.371 4.580 1.00 0.00 H new ATOM 0 HA VAL A 64 8.529 2.553 5.489 1.00 0.00 H new ATOM 0 HB VAL A 64 10.827 3.005 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.236 4.656 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.988 3.192 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.086 4.680 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.495 5.408 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.265 5.461 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.982 4.489 6.929 1.00 0.00 H new ATOM 1009 N SER A 65 9.400 3.497 2.474 1.00 0.00 N ATOM 1010 CA SER A 65 8.956 4.211 1.285 1.00 0.00 C ATOM 1011 C SER A 65 7.517 3.836 0.959 1.00 0.00 C ATOM 1012 O SER A 65 6.708 4.686 0.586 1.00 0.00 O ATOM 1013 CB SER A 65 9.865 3.893 0.098 1.00 0.00 C ATOM 1014 OG SER A 65 11.232 3.969 0.467 1.00 0.00 O ATOM 0 H SER A 65 10.220 2.908 2.331 1.00 0.00 H new ATOM 0 HA SER A 65 9.008 5.282 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.642 2.895 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.665 4.592 -0.715 1.00 0.00 H new ATOM 0 HG SER A 65 11.792 3.760 -0.309 1.00 0.00 H new ATOM 1020 N GLN A 66 7.204 2.555 1.120 1.00 0.00 N ATOM 1021 CA GLN A 66 5.856 2.064 0.861 1.00 0.00 C ATOM 1022 C GLN A 66 4.870 2.719 1.821 1.00 0.00 C ATOM 1023 O GLN A 66 3.716 2.968 1.472 1.00 0.00 O ATOM 1024 CB GLN A 66 5.800 0.542 1.005 1.00 0.00 C ATOM 1025 CG GLN A 66 6.212 -0.203 -0.254 1.00 0.00 C ATOM 1026 CD GLN A 66 5.262 0.040 -1.410 1.00 0.00 C ATOM 1027 OE1 GLN A 66 4.212 -0.595 -1.511 1.00 0.00 O ATOM 1028 NE2 GLN A 66 5.627 0.965 -2.292 1.00 0.00 N ATOM 0 H GLN A 66 7.863 1.840 1.428 1.00 0.00 H new ATOM 0 HA GLN A 66 5.582 2.323 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.450 0.239 1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.786 0.248 1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.217 0.106 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.256 -1.271 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.506 1.468 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.028 1.172 -3.091 1.00 0.00 H new ATOM 1037 N LEU A 67 5.342 3.006 3.031 1.00 0.00 N ATOM 1038 CA LEU A 67 4.511 3.644 4.045 1.00 0.00 C ATOM 1039 C LEU A 67 4.080 5.021 3.571 1.00 0.00 C ATOM 1040 O LEU A 67 2.896 5.355 3.586 1.00 0.00 O ATOM 1041 CB LEU A 67 5.286 3.757 5.365 1.00 0.00 C ATOM 1042 CG LEU A 67 4.452 4.036 6.624 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.379 5.081 6.355 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.829 2.752 7.149 1.00 0.00 C ATOM 0 H LEU A 67 6.296 2.806 3.332 1.00 0.00 H new ATOM 0 HA LEU A 67 3.623 3.035 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.837 2.829 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.024 4.552 5.261 1.00 0.00 H new ATOM 0 HG LEU A 67 5.122 4.433 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.806 5.256 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.849 6.012 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.713 4.724 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.242 2.971 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.181 2.323 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.617 2.041 7.398 1.00 0.00 H new ATOM 1056 N TYR A 68 5.049 5.804 3.131 1.00 0.00 N ATOM 1057 CA TYR A 68 4.770 7.139 2.628 1.00 0.00 C ATOM 1058 C TYR A 68 3.875 7.057 1.399 1.00 0.00 C ATOM 1059 O TYR A 68 3.112 7.978 1.106 1.00 0.00 O ATOM 1060 CB TYR A 68 6.072 7.865 2.293 1.00 0.00 C ATOM 1061 CG TYR A 68 6.788 8.429 3.503 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.554 7.922 4.778 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.698 9.469 3.369 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.207 8.437 5.882 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.356 9.989 4.470 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.106 9.470 5.721 1.00 0.00 C ATOM 1067 OH TYR A 68 8.759 9.985 6.818 1.00 0.00 O ATOM 0 H TYR A 68 6.034 5.540 3.111 1.00 0.00 H new ATOM 0 HA TYR A 68 4.251 7.704 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.739 7.175 1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.856 8.678 1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.850 7.113 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.896 9.879 2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.014 8.033 6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.062 10.797 4.349 1.00 0.00 H new ATOM 0 HH TYR A 68 8.140 10.027 7.577 1.00 0.00 H new ATOM 1077 N ASP A 69 3.978 5.940 0.680 1.00 0.00 N ATOM 1078 CA ASP A 69 3.187 5.728 -0.523 1.00 0.00 C ATOM 1079 C ASP A 69 1.712 5.550 -0.196 1.00 0.00 C ATOM 1080 O ASP A 69 0.856 6.218 -0.780 1.00 0.00 O ATOM 1081 CB ASP A 69 3.699 4.501 -1.275 1.00 0.00 C ATOM 1082 CG ASP A 69 3.195 4.442 -2.703 1.00 0.00 C ATOM 1083 OD1 ASP A 69 3.331 5.455 -3.423 1.00 0.00 O ATOM 1084 OD2 ASP A 69 2.666 3.385 -3.105 1.00 0.00 O ATOM 0 H ASP A 69 4.604 5.169 0.913 1.00 0.00 H new ATOM 0 HA ASP A 69 3.291 6.613 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.789 4.510 -1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.389 3.600 -0.746 1.00 0.00 H new ATOM 1089 N HIS A 70 1.415 4.666 0.745 1.00 0.00 N ATOM 1090 CA HIS A 70 0.031 4.441 1.134 1.00 0.00 C ATOM 1091 C HIS A 70 -0.411 5.500 2.134 1.00 0.00 C ATOM 1092 O HIS A 70 -1.605 5.712 2.345 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.175 3.028 1.686 1.00 0.00 C ATOM 1094 CG HIS A 70 0.587 2.729 2.933 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.379 1.610 3.067 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.660 3.388 4.111 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.906 1.590 4.273 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.486 2.658 4.927 1.00 0.00 N ATOM 0 H HIS A 70 2.101 4.101 1.246 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.593 4.527 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.237 2.880 1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.112 2.308 0.920 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.533 0.907 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.163 4.313 4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.568 0.830 4.661 1.00 0.00 H new ATOM 1107 N TRP A 71 0.563 6.195 2.716 1.00 0.00 N ATOM 1108 CA TRP A 71 0.278 7.263 3.655 1.00 0.00 C ATOM 1109 C TRP A 71 -0.036 8.539 2.883 1.00 0.00 C ATOM 1110 O TRP A 71 -0.865 9.347 3.304 1.00 0.00 O ATOM 1111 CB TRP A 71 1.465 7.488 4.596 1.00 0.00 C ATOM 1112 CG TRP A 71 1.284 8.653 5.520 1.00 0.00 C ATOM 1113 CD1 TRP A 71 2.162 9.677 5.728 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.156 8.912 6.365 1.00 0.00 C ATOM 1115 NE1 TRP A 71 1.648 10.559 6.649 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.417 10.111 7.054 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -1.051 8.247 6.603 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.484 10.658 7.965 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -1.944 8.791 7.506 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -1.657 9.987 8.178 1.00 0.00 C ATOM 0 H TRP A 71 1.556 6.033 2.550 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.583 6.984 4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.625 6.587 5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.365 7.643 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.120 9.779 5.241 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.108 11.408 6.977 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.281 7.325 6.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.264 11.579 8.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.879 8.286 7.697 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.376 10.387 8.878 1.00 0.00 H new ATOM 1131 N ARG A 72 0.623 8.702 1.735 1.00 0.00 N ATOM 1132 CA ARG A 72 0.399 9.867 0.891 1.00 0.00 C ATOM 1133 C ARG A 72 -0.928 9.730 0.159 1.00 0.00 C ATOM 1134 O ARG A 72 -1.676 10.696 0.009 1.00 0.00 O ATOM 1135 CB ARG A 72 1.542 10.031 -0.112 1.00 0.00 C ATOM 1136 CG ARG A 72 1.463 11.318 -0.919 1.00 0.00 C ATOM 1137 CD ARG A 72 0.974 11.062 -2.337 1.00 0.00 C ATOM 1138 NE ARG A 72 2.068 11.074 -3.303 1.00 0.00 N ATOM 1139 CZ ARG A 72 2.799 12.151 -3.583 1.00 0.00 C ATOM 1140 NH1 ARG A 72 2.551 13.306 -2.975 1.00 0.00 N ATOM 1141 NH2 ARG A 72 3.778 12.075 -4.473 1.00 0.00 N ATOM 0 H ARG A 72 1.312 8.043 1.373 1.00 0.00 H new ATOM 0 HA ARG A 72 0.366 10.755 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.491 10.005 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.539 9.182 -0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.791 12.018 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.446 11.788 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.466 10.099 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.241 11.821 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 72 2.285 10.206 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.798 13.370 -2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.114 14.128 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.972 11.191 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.338 12.900 -4.687 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.217 8.512 -0.286 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.458 8.253 -0.988 1.00 0.00 C ATOM 1157 C GLY A 73 -3.658 8.323 -0.064 1.00 0.00 C ATOM 1158 O GLY A 73 -4.716 8.823 -0.446 1.00 0.00 O ATOM 0 H GLY A 73 -0.612 7.699 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.577 8.978 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.414 7.267 -1.451 1.00 0.00 H new ATOM 1162 N THR A 74 -3.489 7.826 1.159 1.00 0.00 N ATOM 1163 CA THR A 74 -4.566 7.841 2.143 1.00 0.00 C ATOM 1164 C THR A 74 -4.832 9.262 2.625 1.00 0.00 C ATOM 1165 O THR A 74 -5.972 9.630 2.908 1.00 0.00 O ATOM 1166 CB THR A 74 -4.217 6.939 3.329 1.00 0.00 C ATOM 1167 OG1 THR A 74 -4.016 5.604 2.901 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.283 6.919 4.404 1.00 0.00 C ATOM 0 H THR A 74 -2.619 7.409 1.491 1.00 0.00 H new ATOM 0 HA THR A 74 -5.470 7.461 1.667 1.00 0.00 H new ATOM 0 HB THR A 74 -3.306 7.362 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.059 5.392 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.970 6.260 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.428 7.927 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.219 6.555 3.981 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.770 10.061 2.714 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.889 11.446 3.159 1.00 0.00 C ATOM 1178 C LEU A 75 -4.912 12.203 2.314 1.00 0.00 C ATOM 1179 O LEU A 75 -5.706 12.985 2.836 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.531 12.147 3.081 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.475 13.527 3.737 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -1.111 13.766 4.365 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.792 14.613 2.718 1.00 0.00 C ATOM 0 H LEU A 75 -2.819 9.772 2.484 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.230 11.441 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.782 11.508 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.252 12.249 2.032 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.226 13.564 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.091 14.753 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.922 13.007 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.341 13.710 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.748 15.589 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.064 14.576 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.792 14.453 2.314 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.887 11.960 1.008 1.00 0.00 N ATOM 1196 CA ARG A 76 -5.814 12.614 0.091 1.00 0.00 C ATOM 1197 C ARG A 76 -6.502 11.589 -0.806 1.00 0.00 C ATOM 1198 O ARG A 76 -5.990 11.232 -1.866 1.00 0.00 O ATOM 1199 CB ARG A 76 -5.073 13.644 -0.767 1.00 0.00 C ATOM 1200 CG ARG A 76 -5.877 14.909 -1.026 1.00 0.00 C ATOM 1201 CD ARG A 76 -5.354 15.663 -2.238 1.00 0.00 C ATOM 1202 NE ARG A 76 -6.438 16.199 -3.059 1.00 0.00 N ATOM 1203 CZ ARG A 76 -7.268 15.444 -3.775 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -7.141 14.122 -3.777 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -8.227 16.010 -4.494 1.00 0.00 N ATOM 0 H ARG A 76 -4.235 11.315 0.561 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.575 13.124 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.139 13.912 -0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.810 13.188 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.924 14.650 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.835 15.554 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.712 16.479 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.738 14.997 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.566 17.211 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.404 13.680 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.780 13.549 -4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.329 17.025 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.863 15.431 -5.042 1.00 0.00 H new ATOM 1219 N TYR A 77 -7.666 11.117 -0.369 1.00 0.00 N ATOM 1220 CA TYR A 77 -8.424 10.129 -1.130 1.00 0.00 C ATOM 1221 C TYR A 77 -9.683 10.748 -1.729 1.00 0.00 C ATOM 1222 O TYR A 77 -10.766 10.166 -1.663 1.00 0.00 O ATOM 1223 CB TYR A 77 -8.798 8.946 -0.235 1.00 0.00 C ATOM 1224 CG TYR A 77 -9.037 7.662 -0.997 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -7.992 6.787 -1.267 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -10.309 7.323 -1.442 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -8.207 5.613 -1.963 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -10.532 6.149 -2.138 1.00 0.00 C ATOM 1229 CZ TYR A 77 -9.477 5.298 -2.395 1.00 0.00 C ATOM 1230 OH TYR A 77 -9.696 4.129 -3.088 1.00 0.00 O ATOM 0 H TYR A 77 -8.104 11.402 0.507 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.794 9.775 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.001 8.785 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.697 9.197 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.996 7.028 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.137 7.987 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.383 4.945 -2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.526 5.900 -2.478 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.646 4.058 -3.318 1.00 0.00 H new ATOM 1240 N LYS A 78 -9.535 11.933 -2.315 1.00 0.00 N ATOM 1241 CA LYS A 78 -10.661 12.628 -2.927 1.00 0.00 C ATOM 1242 C LYS A 78 -11.756 12.905 -1.901 1.00 0.00 C ATOM 1243 O LYS A 78 -12.939 12.947 -2.235 1.00 0.00 O ATOM 1244 CB LYS A 78 -11.229 11.803 -4.083 1.00 0.00 C ATOM 1245 CG LYS A 78 -11.738 12.646 -5.240 1.00 0.00 C ATOM 1246 CD LYS A 78 -12.404 11.788 -6.304 1.00 0.00 C ATOM 1247 CE LYS A 78 -12.826 12.618 -7.505 1.00 0.00 C ATOM 1248 NZ LYS A 78 -13.924 11.969 -8.272 1.00 0.00 N ATOM 0 H LYS A 78 -8.647 12.431 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.299 13.582 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.457 11.127 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.044 11.183 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.449 13.384 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.908 13.197 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.716 11.005 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.276 11.291 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.151 13.603 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.968 12.771 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.182 12.567 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.606 11.040 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.752 11.846 -7.655 1.00 0.00 H new ATOM 1262 N VAL A 79 -11.351 13.096 -0.648 1.00 0.00 N ATOM 1263 CA VAL A 79 -12.298 13.368 0.426 1.00 0.00 C ATOM 1264 C VAL A 79 -13.277 12.214 0.603 1.00 0.00 C ATOM 1265 O VAL A 79 -13.523 11.446 -0.327 1.00 0.00 O ATOM 1266 CB VAL A 79 -13.090 14.663 0.162 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -13.920 15.040 1.380 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -12.149 15.796 -0.222 1.00 0.00 C ATOM 0 H VAL A 79 -10.375 13.067 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.714 13.487 1.339 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.770 14.487 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.472 15.957 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.622 14.237 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.262 15.197 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.726 16.702 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.443 15.973 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.603 15.525 -1.126 1.00 0.00 H new ATOM 1278 N ILE A 80 -13.835 12.097 1.805 1.00 0.00 N ATOM 1279 CA ILE A 80 -14.788 11.035 2.104 1.00 0.00 C ATOM 1280 C ILE A 80 -16.129 11.294 1.424 1.00 0.00 C ATOM 1281 O ILE A 80 -16.461 12.434 1.101 1.00 0.00 O ATOM 1282 CB ILE A 80 -15.015 10.894 3.620 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -13.675 10.842 4.358 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -15.840 9.652 3.918 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -13.299 12.149 5.020 1.00 0.00 C ATOM 0 H ILE A 80 -13.643 12.724 2.586 1.00 0.00 H new ATOM 0 HA ILE A 80 -14.360 10.109 1.720 1.00 0.00 H new ATOM 0 HB ILE A 80 -15.567 11.766 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.717 10.059 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.892 10.562 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -15.992 9.566 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -16.806 9.729 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -15.314 8.770 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.339 12.039 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.225 12.931 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -14.062 12.420 5.749 1.00 0.00 H new ATOM 1297 N GLN A 81 -16.892 10.228 1.209 1.00 0.00 N ATOM 1298 CA GLN A 81 -18.198 10.341 0.568 1.00 0.00 C ATOM 1299 C GLN A 81 -19.140 11.206 1.399 1.00 0.00 C ATOM 1300 O GLN A 81 -19.059 11.226 2.628 1.00 0.00 O ATOM 1301 CB GLN A 81 -18.810 8.954 0.361 1.00 0.00 C ATOM 1302 CG GLN A 81 -18.095 8.126 -0.695 1.00 0.00 C ATOM 1303 CD GLN A 81 -18.458 8.541 -2.106 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -19.602 8.394 -2.534 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -17.481 9.065 -2.839 1.00 0.00 N ATOM 0 H GLN A 81 -16.630 9.277 1.469 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.058 10.817 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.793 8.414 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.856 9.066 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.018 8.221 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.342 7.074 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.546 9.169 -2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.666 9.364 -3.797 1.00 0.00 H new ATOM 1314 N GLN A 82 -20.034 11.919 0.721 1.00 0.00 N ATOM 1315 CA GLN A 82 -20.992 12.784 1.399 1.00 0.00 C ATOM 1316 C GLN A 82 -22.139 13.160 0.466 1.00 0.00 C ATOM 1317 O GLN A 82 -22.085 14.177 -0.224 1.00 0.00 O ATOM 1318 CB GLN A 82 -20.294 14.049 1.909 1.00 0.00 C ATOM 1319 CG GLN A 82 -20.537 14.323 3.385 1.00 0.00 C ATOM 1320 CD GLN A 82 -21.940 14.828 3.661 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -22.485 15.628 2.901 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -22.531 14.361 4.755 1.00 0.00 N ATOM 0 H GLN A 82 -20.115 11.915 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 82 -21.404 12.238 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -19.222 13.957 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -20.639 14.904 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -20.365 13.409 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -19.814 15.058 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -22.041 13.699 5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -23.475 14.665 4.994 1.00 0.00 H new ATOM 1331 N GLN A 83 -23.179 12.330 0.451 1.00 0.00 N ATOM 1332 CA GLN A 83 -24.339 12.574 -0.397 1.00 0.00 C ATOM 1333 C GLN A 83 -25.613 12.670 0.438 1.00 0.00 C ATOM 1334 O GLN A 83 -25.624 12.307 1.613 1.00 0.00 O ATOM 1335 CB GLN A 83 -24.480 11.462 -1.438 1.00 0.00 C ATOM 1336 CG GLN A 83 -23.221 11.230 -2.255 1.00 0.00 C ATOM 1337 CD GLN A 83 -23.518 10.953 -3.717 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -24.152 9.954 -4.054 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -23.058 11.839 -4.592 1.00 0.00 N ATOM 0 H GLN A 83 -23.241 11.483 1.017 1.00 0.00 H new ATOM 0 HA GLN A 83 -24.189 13.524 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -24.751 10.535 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -25.300 11.709 -2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -22.576 12.105 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -22.669 10.389 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -22.537 12.653 -4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -23.226 11.705 -5.589 1.00 0.00 H new ATOM 1348 N GLY A 84 -26.683 13.162 -0.178 1.00 0.00 N ATOM 1349 CA GLY A 84 -27.946 13.296 0.521 1.00 0.00 C ATOM 1350 C GLY A 84 -27.937 14.436 1.521 1.00 0.00 C ATOM 1351 O GLY A 84 -26.877 14.955 1.871 1.00 0.00 O ATOM 0 H GLY A 84 -26.697 13.470 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -28.744 13.459 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -28.172 12.364 1.039 1.00 0.00 H new ATOM 1355 N TYR A 85 -29.121 14.826 1.982 1.00 0.00 N ATOM 1356 CA TYR A 85 -29.248 15.912 2.946 1.00 0.00 C ATOM 1357 C TYR A 85 -29.937 15.430 4.220 1.00 0.00 C ATOM 1358 O TYR A 85 -30.627 16.195 4.893 1.00 0.00 O ATOM 1359 CB TYR A 85 -30.029 17.077 2.334 1.00 0.00 C ATOM 1360 CG TYR A 85 -29.163 18.265 1.979 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -27.936 18.092 1.353 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -29.575 19.560 2.271 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -27.142 19.174 1.028 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -28.787 20.648 1.949 1.00 0.00 C ATOM 1365 CZ TYR A 85 -27.571 20.450 1.327 1.00 0.00 C ATOM 1366 OH TYR A 85 -26.783 21.532 1.005 1.00 0.00 O ATOM 0 H TYR A 85 -30.007 14.405 1.703 1.00 0.00 H new ATOM 0 HA TYR A 85 -28.246 16.255 3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -30.540 16.729 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -30.799 17.396 3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -27.597 17.094 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -30.526 19.718 2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -26.190 19.022 0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -29.121 21.648 2.183 1.00 0.00 H new ATOM 0 HH TYR A 85 -27.232 22.358 1.283 1.00 0.00 H new ATOM 1376 N ARG A 86 -29.747 14.154 4.544 1.00 0.00 N ATOM 1377 CA ARG A 86 -30.351 13.571 5.737 1.00 0.00 C ATOM 1378 C ARG A 86 -29.668 14.085 7.000 1.00 0.00 C ATOM 1379 O ARG A 86 -28.488 14.438 6.981 1.00 0.00 O ATOM 1380 CB ARG A 86 -30.268 12.043 5.680 1.00 0.00 C ATOM 1381 CG ARG A 86 -31.584 11.376 5.318 1.00 0.00 C ATOM 1382 CD ARG A 86 -32.105 11.862 3.974 1.00 0.00 C ATOM 1383 NE ARG A 86 -33.545 11.661 3.839 1.00 0.00 N ATOM 1384 CZ ARG A 86 -34.105 10.490 3.538 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -33.350 9.417 3.340 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -35.424 10.395 3.435 1.00 0.00 N ATOM 0 H ARG A 86 -29.180 13.505 3.998 1.00 0.00 H new ATOM 0 HA ARG A 86 -31.399 13.870 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -29.512 11.755 4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -29.935 11.669 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -31.449 10.295 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -32.323 11.583 6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -31.875 12.921 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -31.589 11.333 3.173 1.00 0.00 H new ATOM 0 HE ARG A 86 -34.158 12.464 3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -32.335 9.486 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -33.784 8.523 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -36.008 11.218 3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -35.854 9.499 3.205 1.00 0.00 H new ATOM 1400 N GLY A 87 -30.417 14.126 8.097 1.00 0.00 N ATOM 1401 CA GLY A 87 -29.868 14.598 9.354 1.00 0.00 C ATOM 1402 C GLY A 87 -28.997 13.562 10.037 1.00 0.00 C ATOM 1403 O GLY A 87 -28.152 13.900 10.865 1.00 0.00 O ATOM 0 H GLY A 87 -31.395 13.840 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -29.281 15.499 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -30.684 14.877 10.020 1.00 0.00 H new ATOM 1407 N LYS A 88 -29.203 12.294 9.692 1.00 0.00 N ATOM 1408 CA LYS A 88 -28.429 11.208 10.282 1.00 0.00 C ATOM 1409 C LYS A 88 -26.941 11.378 9.987 1.00 0.00 C ATOM 1410 O LYS A 88 -26.467 11.024 8.907 1.00 0.00 O ATOM 1411 CB LYS A 88 -28.912 9.856 9.749 1.00 0.00 C ATOM 1412 CG LYS A 88 -30.419 9.668 9.835 1.00 0.00 C ATOM 1413 CD LYS A 88 -30.916 9.773 11.268 1.00 0.00 C ATOM 1414 CE LYS A 88 -30.734 8.464 12.019 1.00 0.00 C ATOM 1415 NZ LYS A 88 -29.524 8.485 12.887 1.00 0.00 N ATOM 0 H LYS A 88 -29.898 11.994 9.008 1.00 0.00 H new ATOM 0 HA LYS A 88 -28.576 11.239 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -28.601 9.753 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -28.423 9.059 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -30.915 10.420 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -30.689 8.694 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -30.377 10.567 11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -31.970 10.051 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -31.616 8.270 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -30.655 7.644 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -29.170 7.515 13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -28.787 9.067 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -29.769 8.888 13.814 1.00 0.00 H new ATOM 1429 N ASN A 89 -26.211 11.923 10.953 1.00 0.00 N ATOM 1430 CA ASN A 89 -24.777 12.143 10.797 1.00 0.00 C ATOM 1431 C ASN A 89 -24.071 12.110 12.150 1.00 0.00 C ATOM 1432 O ASN A 89 -24.716 12.139 13.199 1.00 0.00 O ATOM 1433 CB ASN A 89 -24.515 13.480 10.102 1.00 0.00 C ATOM 1434 CG ASN A 89 -24.220 13.315 8.625 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -25.095 13.502 7.779 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -22.980 12.962 8.305 1.00 0.00 N ATOM 0 H ASN A 89 -26.588 12.221 11.853 1.00 0.00 H new ATOM 0 HA ASN A 89 -24.377 11.339 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -25.383 14.127 10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -23.674 13.978 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.722 12.836 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.286 12.817 9.038 1.00 0.00 H new ATOM 1443 N SER A 90 -22.744 12.052 12.117 1.00 0.00 N ATOM 1444 CA SER A 90 -21.951 12.016 13.341 1.00 0.00 C ATOM 1445 C SER A 90 -20.683 12.851 13.191 1.00 0.00 C ATOM 1446 O SER A 90 -20.478 13.509 12.171 1.00 0.00 O ATOM 1447 CB SER A 90 -21.588 10.573 13.696 1.00 0.00 C ATOM 1448 OG SER A 90 -20.579 10.074 12.835 1.00 0.00 O ATOM 0 H SER A 90 -22.195 12.029 11.257 1.00 0.00 H new ATOM 0 HA SER A 90 -22.550 12.440 14.147 1.00 0.00 H new ATOM 0 HB2 SER A 90 -21.245 10.525 14.729 1.00 0.00 H new ATOM 0 HB3 SER A 90 -22.475 9.944 13.625 1.00 0.00 H new ATOM 0 HG SER A 90 -20.364 9.151 13.084 1.00 0.00 H new ATOM 1454 N VAL A 91 -19.835 12.818 14.214 1.00 0.00 N ATOM 1455 CA VAL A 91 -18.587 13.573 14.196 1.00 0.00 C ATOM 1456 C VAL A 91 -17.459 12.784 14.853 1.00 0.00 C ATOM 1457 O VAL A 91 -17.497 12.513 16.054 1.00 0.00 O ATOM 1458 CB VAL A 91 -18.738 14.928 14.914 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -19.613 15.868 14.100 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -19.306 14.730 16.310 1.00 0.00 C ATOM 0 H VAL A 91 -19.989 12.277 15.065 1.00 0.00 H new ATOM 0 HA VAL A 91 -18.341 13.752 13.149 1.00 0.00 H new ATOM 0 HB VAL A 91 -17.752 15.382 15.010 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -19.709 16.820 14.622 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -19.158 16.034 13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -20.600 15.425 13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -19.406 15.697 16.803 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -20.285 14.255 16.241 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -18.635 14.095 16.889 1.00 0.00 H new ATOM 1470 N ALA A 92 -16.457 12.420 14.061 1.00 0.00 N ATOM 1471 CA ALA A 92 -15.318 11.663 14.565 1.00 0.00 C ATOM 1472 C ALA A 92 -14.423 12.534 15.437 1.00 0.00 C ATOM 1473 O ALA A 92 -13.571 13.267 14.933 1.00 0.00 O ATOM 1474 CB ALA A 92 -14.523 11.074 13.409 1.00 0.00 C ATOM 0 H ALA A 92 -16.411 12.637 13.066 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.698 10.848 15.182 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.675 10.511 13.800 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -15.163 10.410 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -14.160 11.879 12.769 1.00 0.00 H new ATOM 1480 N ALA A 93 -14.620 12.449 16.749 1.00 0.00 N ATOM 1481 CA ALA A 93 -13.830 13.230 17.693 1.00 0.00 C ATOM 1482 C ALA A 93 -13.273 12.346 18.804 1.00 0.00 C ATOM 1483 O ALA A 93 -14.005 11.568 19.416 1.00 0.00 O ATOM 1484 CB ALA A 93 -14.670 14.353 18.280 1.00 0.00 C ATOM 0 H ALA A 93 -15.320 11.847 17.182 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.988 13.665 17.154 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.068 14.928 18.983 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.015 15.006 17.479 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.530 13.931 18.800 1.00 0.00 H new ATOM 1490 N ARG A 94 -11.975 12.471 19.058 1.00 0.00 N ATOM 1491 CA ARG A 94 -11.321 11.682 20.096 1.00 0.00 C ATOM 1492 C ARG A 94 -11.421 12.375 21.452 1.00 0.00 C ATOM 1493 O ARG A 94 -12.271 12.029 22.275 1.00 0.00 O ATOM 1494 CB ARG A 94 -9.853 11.441 19.737 1.00 0.00 C ATOM 1495 CG ARG A 94 -9.660 10.455 18.597 1.00 0.00 C ATOM 1496 CD ARG A 94 -8.198 10.075 18.431 1.00 0.00 C ATOM 1497 NE ARG A 94 -7.332 11.250 18.346 1.00 0.00 N ATOM 1498 CZ ARG A 94 -6.018 11.219 18.554 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -5.413 10.077 18.858 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -5.306 12.333 18.456 1.00 0.00 N ATOM 0 H ARG A 94 -11.355 13.110 18.560 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.832 10.721 20.162 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.393 12.391 19.466 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.328 11.072 20.618 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.251 9.559 18.786 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.031 10.892 17.670 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.887 9.456 19.272 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.080 9.472 17.531 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.760 12.146 18.114 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.956 9.217 18.933 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.405 10.060 19.016 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.765 13.213 18.221 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.299 12.310 18.615 1.00 0.00 H new ATOM 1514 N SER A 95 -10.552 13.355 21.681 1.00 0.00 N ATOM 1515 CA SER A 95 -10.548 14.093 22.938 1.00 0.00 C ATOM 1516 C SER A 95 -11.371 15.376 22.826 1.00 0.00 C ATOM 1517 O SER A 95 -12.282 15.607 23.621 1.00 0.00 O ATOM 1518 CB SER A 95 -9.112 14.423 23.357 1.00 0.00 C ATOM 1519 OG SER A 95 -8.826 13.902 24.645 1.00 0.00 O ATOM 0 H SER A 95 -9.842 13.656 21.013 1.00 0.00 H new ATOM 0 HA SER A 95 -11.004 13.461 23.700 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.413 14.009 22.630 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.969 15.504 23.358 1.00 0.00 H new ATOM 0 HG SER A 95 -7.903 14.124 24.890 1.00 0.00 H new ATOM 1525 N PRO A 96 -11.063 16.232 21.833 1.00 0.00 N ATOM 1526 CA PRO A 96 -11.786 17.493 21.631 1.00 0.00 C ATOM 1527 C PRO A 96 -13.290 17.282 21.502 1.00 0.00 C ATOM 1528 O PRO A 96 -13.743 16.397 20.776 1.00 0.00 O ATOM 1529 CB PRO A 96 -11.209 18.033 20.320 1.00 0.00 C ATOM 1530 CG PRO A 96 -9.865 17.400 20.205 1.00 0.00 C ATOM 1531 CD PRO A 96 -9.993 16.043 20.837 1.00 0.00 C ATOM 0 HA PRO A 96 -11.663 18.171 22.476 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.843 17.772 19.472 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.134 19.120 20.339 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.560 17.318 19.162 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.107 17.997 20.712 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.256 15.281 20.104 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.060 15.727 21.304 1.00 0.00 H new ATOM 1539 N GLU A 97 -14.061 18.100 22.211 1.00 0.00 N ATOM 1540 CA GLU A 97 -15.516 18.005 22.175 1.00 0.00 C ATOM 1541 C GLU A 97 -16.158 19.345 22.517 1.00 0.00 C ATOM 1542 O GLU A 97 -15.467 20.323 22.799 1.00 0.00 O ATOM 1543 CB GLU A 97 -16.001 16.928 23.149 1.00 0.00 C ATOM 1544 CG GLU A 97 -16.262 15.585 22.489 1.00 0.00 C ATOM 1545 CD GLU A 97 -17.663 15.479 21.918 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -18.607 15.238 22.700 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -17.816 15.635 20.689 1.00 0.00 O ATOM 0 H GLU A 97 -13.702 18.837 22.818 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.813 17.730 21.163 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.257 16.799 23.935 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.917 17.271 23.630 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.536 15.429 21.691 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.110 14.790 23.219 1.00 0.00 H new ATOM 1554 N LYS A 98 -17.487 19.382 22.488 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.224 20.603 22.795 1.00 0.00 C ATOM 1556 C LYS A 98 -18.231 20.872 24.296 1.00 0.00 C ATOM 1557 O LYS A 98 -18.927 20.198 25.055 1.00 0.00 O ATOM 1558 CB LYS A 98 -19.661 20.500 22.279 1.00 0.00 C ATOM 1559 CG LYS A 98 -19.779 20.667 20.772 1.00 0.00 C ATOM 1560 CD LYS A 98 -19.124 19.514 20.029 1.00 0.00 C ATOM 1561 CE LYS A 98 -19.391 19.591 18.535 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.335 18.899 17.745 1.00 0.00 N ATOM 0 H LYS A 98 -18.075 18.581 22.255 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.724 21.433 22.297 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -20.071 19.531 22.562 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -20.270 21.260 22.769 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -20.831 20.730 20.493 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.313 21.606 20.472 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.049 19.528 20.209 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.500 18.568 20.419 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.360 19.143 18.316 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.447 20.636 18.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.554 18.975 16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.413 19.342 17.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.299 17.896 18.017 1.00 0.00 H new ATOM 1576 N ALA A 99 -17.449 21.861 24.718 1.00 0.00 N ATOM 1577 CA ALA A 99 -17.365 22.219 26.129 1.00 0.00 C ATOM 1578 C ALA A 99 -16.845 21.052 26.962 1.00 0.00 C ATOM 1579 O ALA A 99 -17.509 20.592 27.891 1.00 0.00 O ATOM 1580 CB ALA A 99 -18.725 22.674 26.639 1.00 0.00 C ATOM 0 H ALA A 99 -16.865 22.428 24.103 1.00 0.00 H new ATOM 0 HA ALA A 99 -16.659 23.043 26.229 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -18.648 22.938 27.694 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -19.055 23.543 26.070 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -19.447 21.867 26.519 1.00 0.00 H new ATOM 1586 N SER A 100 -15.652 20.576 26.622 1.00 0.00 N ATOM 1587 CA SER A 100 -15.041 19.461 27.339 1.00 0.00 C ATOM 1588 C SER A 100 -13.791 19.917 28.087 1.00 0.00 C ATOM 1589 O SER A 100 -12.810 19.181 28.181 1.00 0.00 O ATOM 1590 CB SER A 100 -14.685 18.336 26.365 1.00 0.00 C ATOM 1591 OG SER A 100 -14.916 17.064 26.948 1.00 0.00 O ATOM 0 H SER A 100 -15.089 20.944 25.855 1.00 0.00 H new ATOM 0 HA SER A 100 -15.762 19.088 28.066 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.278 18.436 25.456 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.638 18.421 26.073 1.00 0.00 H new ATOM 0 HG SER A 100 -14.682 16.362 26.305 1.00 0.00 H new ATOM 1597 N ASN A 101 -13.838 21.134 28.617 1.00 0.00 N ATOM 1598 CA ASN A 101 -12.709 21.688 29.357 1.00 0.00 C ATOM 1599 C ASN A 101 -13.191 22.567 30.508 1.00 0.00 C ATOM 1600 O ASN A 101 -14.394 22.688 30.746 1.00 0.00 O ATOM 1601 CB ASN A 101 -11.810 22.499 28.421 1.00 0.00 C ATOM 1602 CG ASN A 101 -11.029 21.620 27.465 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -10.360 20.673 27.879 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -11.109 21.931 26.175 1.00 0.00 N ATOM 0 H ASN A 101 -14.644 21.755 28.549 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.136 20.859 29.773 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -12.421 23.198 27.850 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.115 23.093 29.014 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -10.604 21.376 25.484 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.676 22.725 25.876 1.00 0.00 H new ATOM 1611 N MET A 102 -12.247 23.176 31.217 1.00 0.00 N ATOM 1612 CA MET A 102 -12.575 24.044 32.343 1.00 0.00 C ATOM 1613 C MET A 102 -13.238 23.252 33.466 1.00 0.00 C ATOM 1614 O MET A 102 -13.720 22.139 33.252 1.00 0.00 O ATOM 1615 CB MET A 102 -13.493 25.183 31.889 1.00 0.00 C ATOM 1616 CG MET A 102 -12.918 26.567 32.149 1.00 0.00 C ATOM 1617 SD MET A 102 -14.151 27.728 32.768 1.00 0.00 S ATOM 1618 CE MET A 102 -13.172 29.221 32.908 1.00 0.00 C ATOM 0 H MET A 102 -11.248 23.085 31.032 1.00 0.00 H new ATOM 0 HA MET A 102 -11.646 24.469 32.724 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.692 25.075 30.823 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.450 25.094 32.402 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.105 26.488 32.870 1.00 0.00 H new ATOM 0 HG3 MET A 102 -12.489 26.957 31.226 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.797 30.033 33.280 1.00 0.00 H new ATOM 0 HE2 MET A 102 -12.347 29.052 33.600 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.775 29.489 31.929 1.00 0.00 H new ATOM 1628 N GLU A 103 -13.260 23.833 34.661 1.00 0.00 N ATOM 1629 CA GLU A 103 -13.865 23.181 35.816 1.00 0.00 C ATOM 1630 C GLU A 103 -14.344 24.211 36.834 1.00 0.00 C ATOM 1631 O GLU A 103 -13.821 25.326 36.898 1.00 0.00 O ATOM 1632 CB GLU A 103 -12.863 22.228 36.472 1.00 0.00 C ATOM 1633 CG GLU A 103 -13.518 21.127 37.291 1.00 0.00 C ATOM 1634 CD GLU A 103 -13.268 19.746 36.718 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -13.647 19.510 35.552 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -12.692 18.901 37.435 1.00 0.00 O ATOM 0 H GLU A 103 -12.866 24.754 34.855 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.727 22.611 35.470 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -12.245 21.774 35.697 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.197 22.802 37.116 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.140 21.166 38.313 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.592 21.307 37.341 1.00 0.00 H new ATOM 1643 N ASN A 104 -15.342 23.834 37.626 1.00 0.00 N ATOM 1644 CA ASN A 104 -15.893 24.724 38.642 1.00 0.00 C ATOM 1645 C ASN A 104 -16.515 25.962 38.001 1.00 0.00 C ATOM 1646 O ASN A 104 -16.043 26.443 36.971 1.00 0.00 O ATOM 1647 CB ASN A 104 -14.804 25.137 39.634 1.00 0.00 C ATOM 1648 CG ASN A 104 -15.180 24.824 41.070 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -15.268 25.720 41.910 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -15.405 23.548 41.357 1.00 0.00 N ATOM 0 H ASN A 104 -15.787 22.917 37.584 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.674 24.185 39.178 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.875 24.624 39.384 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -14.614 26.206 39.536 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.663 23.276 42.306 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.320 22.839 40.629 1.00 0.00 H new ATOM 1657 N ASN A 105 -17.576 26.472 38.618 1.00 0.00 N ATOM 1658 CA ASN A 105 -18.262 27.653 38.108 1.00 0.00 C ATOM 1659 C ASN A 105 -18.795 27.407 36.700 1.00 0.00 C ATOM 1660 O ASN A 105 -18.874 28.328 35.887 1.00 0.00 O ATOM 1661 CB ASN A 105 -17.317 28.856 38.106 1.00 0.00 C ATOM 1662 CG ASN A 105 -18.061 30.177 38.114 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -18.761 30.501 39.074 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -17.916 30.945 37.042 1.00 0.00 N ATOM 0 H ASN A 105 -17.979 26.086 39.472 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.106 27.864 38.764 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.666 28.804 38.978 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.676 28.809 37.226 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.395 31.844 36.990 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.326 30.636 36.270 1.00 0.00 H new ATOM 1671 N GLU A 106 -19.162 26.161 36.421 1.00 0.00 N ATOM 1672 CA GLU A 106 -19.687 25.795 35.111 1.00 0.00 C ATOM 1673 C GLU A 106 -20.634 24.604 35.219 1.00 0.00 C ATOM 1674 O GLU A 106 -21.433 24.397 34.279 1.00 0.00 O ATOM 1675 CB GLU A 106 -18.542 25.466 34.152 1.00 0.00 C ATOM 1676 CG GLU A 106 -18.985 25.311 32.706 1.00 0.00 C ATOM 1677 CD GLU A 106 -17.922 24.668 31.837 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -16.734 25.020 31.993 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -18.279 23.814 30.998 1.00 0.00 O ATOM 1680 OXT GLU A 106 -20.568 23.887 36.239 1.00 0.00 O ATOM 0 H GLU A 106 -19.106 25.388 37.084 1.00 0.00 H new ATOM 0 HA GLU A 106 -20.245 26.646 34.720 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -17.792 26.255 34.211 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -18.061 24.543 34.477 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -19.892 24.708 32.670 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -19.237 26.291 32.300 1.00 0.00 H new TER 1687 GLU A 106