USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 19 LYS NZ :NH3+ 175:sc= -3.26 (180deg=-3.18) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.434 K(o=-3.7,f=-6.7!) USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0.00663 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -0.66 F(o=-3.7!,f=-0.65) USER MOD Set 3.1: A 51 ASN :FLIP amide:sc= -0.765 X(o=-4.8,f=-4.6) USER MOD Set 3.2: A 52 HIS :FLIP no HD1:sc= -3.83! X(o=-5.1,f=-4.6!) USER MOD Set 4.1: A 33 SER OG : rot 72:sc= -2.59! USER MOD Set 4.2: A 34 GLN :FLIP amide:sc= -4.65! C(o=-15!,f=-7.2!) USER MOD Set 5.1: A 6 ASN :FLIP amide:sc= -0.0372 F(o=-3.7!,f=-0.037) USER MOD Set 5.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 7 SER OG : rot 108:sc= 0.871 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc=-0.00131 (180deg=-0.735) USER MOD Single : A 10 GLN : amide:sc= -0.0276 K(o=-0.028,f=-2.4!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.315 (180deg=-0.685) USER MOD Single : A 21 THR OG1 : rot -34:sc= -0.236 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 79:sc= 0.694 USER MOD Single : A 29 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.26 F(o=-0.82,f=-0.26) USER MOD Single : A 48 THR OG1 : rot -20:sc= 0.105 USER MOD Single : A 50 THR OG1 : rot -21:sc= 0.148 USER MOD Single : A 61 GLN : amide:sc= -4.58! C(o=-4.6!,f=-5.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -69:sc= 0.682! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00511 USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.76) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 89:sc= 0.124 USER MOD Single : A 89 GLN : amide:sc= -5.92! C(o=-5.9!,f=-13!) USER MOD Single : A 90 GLN : amide:sc= -0.0767 X(o=-0.077,f=0) USER MOD Single : A 91 SER OG : rot 119:sc= 1.27 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.8!) USER MOD Single : A 105 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.652 45.661 5.080 1.00 18.33 N ATOM 2 CA ALA A 1 16.646 44.560 4.926 1.00 16.52 C ATOM 3 C ALA A 1 16.162 43.582 3.853 1.00 15.03 C ATOM 4 O ALA A 1 15.853 42.441 4.135 1.00 16.00 O ATOM 5 CB ALA A 1 16.798 43.822 6.258 1.00 17.21 C ATOM 0 H1 ALA A 1 15.981 46.326 5.809 1.00 18.33 H new ATOM 0 H2 ALA A 1 15.547 46.163 4.175 1.00 18.33 H new ATOM 0 H3 ALA A 1 14.734 45.263 5.363 1.00 18.33 H new ATOM 0 HA ALA A 1 17.608 44.977 4.629 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.524 43.017 6.147 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.142 44.518 7.023 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.836 43.404 6.554 1.00 17.21 H new ATOM 13 N GLN A 2 16.092 44.019 2.625 1.00 14.70 N ATOM 14 CA GLN A 2 15.626 43.115 1.533 1.00 14.58 C ATOM 15 C GLN A 2 16.838 42.483 0.844 1.00 12.38 C ATOM 16 O GLN A 2 17.093 41.302 0.974 1.00 12.11 O ATOM 17 CB GLN A 2 14.808 43.920 0.513 1.00 17.38 C ATOM 18 CG GLN A 2 15.176 45.403 0.609 1.00 22.60 C ATOM 19 CD GLN A 2 14.447 46.182 -0.488 1.00 24.11 C ATOM 20 OE1 GLN A 2 14.457 45.787 -1.637 1.00 29.77 O ATOM 21 NE2 GLN A 2 13.812 47.279 -0.180 1.00 23.75 N ATOM 0 H GLN A 2 16.338 44.964 2.330 1.00 14.70 H new ATOM 0 HA GLN A 2 14.999 42.328 1.953 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.002 43.552 -0.494 1.00 17.38 H new ATOM 0 HB3 GLN A 2 13.743 43.787 0.701 1.00 17.38 H new ATOM 0 HG2 GLN A 2 14.903 45.793 1.589 1.00 22.60 H new ATOM 0 HG3 GLN A 2 16.254 45.529 0.504 1.00 22.60 H new ATOM 0 HE21 GLN A 2 13.804 47.610 0.785 1.00 23.75 H new ATOM 0 HE22 GLN A 2 13.323 47.806 -0.904 1.00 23.75 H new ATOM 30 N GLU A 3 17.585 43.259 0.109 1.00 0.00 N ATOM 31 CA GLU A 3 18.777 42.705 -0.591 1.00 0.00 C ATOM 32 C GLU A 3 19.748 42.111 0.432 1.00 0.00 C ATOM 33 O GLU A 3 20.691 41.428 0.083 1.00 0.00 O ATOM 34 CB GLU A 3 19.477 43.826 -1.362 1.00 0.00 C ATOM 35 CG GLU A 3 18.432 44.671 -2.092 1.00 0.00 C ATOM 36 CD GLU A 3 19.127 45.566 -3.121 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.226 46.016 -2.839 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.550 45.785 -4.173 1.00 0.00 O ATOM 0 H GLU A 3 17.421 44.255 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 3 18.459 41.924 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.051 44.450 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.183 43.404 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.707 44.024 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.879 45.281 -1.378 1.00 0.00 H new ATOM 45 N PHE A 4 19.534 42.375 1.691 1.00 11.75 N ATOM 46 CA PHE A 4 20.451 41.839 2.734 1.00 10.29 C ATOM 47 C PHE A 4 20.429 40.307 2.730 1.00 10.97 C ATOM 48 O PHE A 4 21.372 39.667 2.311 1.00 7.53 O ATOM 49 CB PHE A 4 20.008 42.358 4.109 1.00 11.72 C ATOM 50 CG PHE A 4 20.901 43.497 4.547 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.079 44.609 3.715 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.550 43.440 5.788 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.908 45.662 4.121 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.378 44.492 6.194 1.00 19.72 C ATOM 55 CZ PHE A 4 22.556 45.604 5.361 1.00 20.03 C ATOM 0 H PHE A 4 18.761 42.940 2.043 1.00 11.75 H new ATOM 0 HA PHE A 4 21.467 42.172 2.521 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.972 42.695 4.063 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.049 41.552 4.841 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.577 44.655 2.760 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.411 42.584 6.431 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.048 46.518 3.478 1.00 18.59 H new ATOM 0 HE2 PHE A 4 22.880 44.447 7.149 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.193 46.417 5.675 1.00 20.03 H new ATOM 65 N VAL A 5 19.370 39.714 3.209 1.00 10.96 N ATOM 66 CA VAL A 5 19.309 38.225 3.250 1.00 12.03 C ATOM 67 C VAL A 5 19.102 37.669 1.839 1.00 12.91 C ATOM 68 O VAL A 5 19.645 36.643 1.484 1.00 10.57 O ATOM 69 CB VAL A 5 18.146 37.787 4.149 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.108 38.665 5.400 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.822 37.929 3.391 1.00 9.23 C ATOM 0 H VAL A 5 18.547 40.194 3.573 1.00 10.96 H new ATOM 0 HA VAL A 5 20.247 37.840 3.650 1.00 12.03 H new ATOM 0 HB VAL A 5 18.289 36.745 4.436 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.281 38.353 6.038 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.046 38.562 5.945 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.969 39.706 5.110 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.999 37.617 4.034 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.680 38.970 3.099 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.844 37.302 2.500 1.00 9.23 H new ATOM 81 N ASN A 6 18.321 38.331 1.033 1.00 13.95 N ATOM 82 CA ASN A 6 18.084 37.830 -0.344 1.00 13.93 C ATOM 83 C ASN A 6 19.423 37.656 -1.064 1.00 14.98 C ATOM 84 O ASN A 6 19.611 36.732 -1.831 1.00 13.88 O ATOM 85 CB ASN A 6 17.219 38.836 -1.102 1.00 19.23 C ATOM 86 CG ASN A 6 15.775 38.734 -0.612 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.513 38.042 0.462 1.00 28.33 O flip ATOM 88 ND2 ASN A 6 14.875 39.289 -1.212 1.00 26.59 N flip ATOM 0 H ASN A 6 17.837 39.197 1.270 1.00 13.95 H new ATOM 0 HA ASN A 6 17.573 36.868 -0.302 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.597 39.847 -0.947 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.266 38.639 -2.173 1.00 19.23 H new ATOM 0 HD21 ASN A 6 15.080 39.830 -2.052 1.00 26.59 H new ATOM 0 HD22 ASN A 6 13.915 39.213 -0.875 1.00 26.59 H new ATOM 95 N SER A 7 20.357 38.537 -0.827 1.00 0.00 N ATOM 96 CA SER A 7 21.680 38.417 -1.504 1.00 0.00 C ATOM 97 C SER A 7 22.488 37.281 -0.872 1.00 0.00 C ATOM 98 O SER A 7 23.503 36.866 -1.397 1.00 0.00 O ATOM 99 CB SER A 7 22.449 39.729 -1.354 1.00 0.00 C ATOM 100 OG SER A 7 21.709 40.780 -1.961 1.00 0.00 O ATOM 0 H SER A 7 20.262 39.332 -0.196 1.00 0.00 H new ATOM 0 HA SER A 7 21.523 38.201 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.615 39.948 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.431 39.644 -1.820 1.00 0.00 H new ATOM 0 HG SER A 7 21.334 41.360 -1.266 1.00 0.00 H new ATOM 106 N LYS A 8 22.064 36.787 0.261 1.00 13.50 N ATOM 107 CA LYS A 8 22.827 35.693 0.932 1.00 11.83 C ATOM 108 C LYS A 8 22.214 34.325 0.608 1.00 12.94 C ATOM 109 O LYS A 8 22.920 33.379 0.316 1.00 11.22 O ATOM 110 CB LYS A 8 22.802 35.924 2.443 1.00 13.35 C ATOM 111 CG LYS A 8 23.495 37.252 2.758 1.00 9.72 C ATOM 112 CD LYS A 8 23.426 37.527 4.262 1.00 17.72 C ATOM 113 CE LYS A 8 23.637 39.020 4.524 1.00 15.70 C ATOM 114 NZ LYS A 8 24.716 39.532 3.632 1.00 22.87 N ATOM 0 H LYS A 8 21.223 37.093 0.751 1.00 13.50 H new ATOM 0 HA LYS A 8 23.855 35.702 0.569 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.774 35.942 2.804 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.306 35.106 2.957 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.535 37.217 2.433 1.00 9.72 H new ATOM 0 HG3 LYS A 8 23.016 38.062 2.208 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.459 37.212 4.655 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.187 36.946 4.783 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.711 39.566 4.344 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.905 39.183 5.568 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.107 40.410 4.029 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.471 38.820 3.556 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.324 39.723 2.688 1.00 22.87 H new ATOM 128 N ILE A 9 20.916 34.200 0.659 1.00 11.05 N ATOM 129 CA ILE A 9 20.292 32.878 0.356 1.00 13.61 C ATOM 130 C ILE A 9 20.254 32.663 -1.159 1.00 12.23 C ATOM 131 O ILE A 9 19.949 33.557 -1.922 1.00 12.72 O ATOM 132 CB ILE A 9 18.869 32.825 0.916 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.070 34.006 0.361 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.918 32.882 2.448 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.975 34.424 1.347 1.00 25.19 C ATOM 0 H ILE A 9 20.264 34.948 0.895 1.00 11.05 H new ATOM 0 HA ILE A 9 20.886 32.092 0.822 1.00 13.61 H new ATOM 0 HB ILE A 9 18.384 31.895 0.618 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.737 34.847 0.171 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.622 33.733 -0.594 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.904 32.844 2.846 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.488 32.033 2.826 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.397 33.809 2.762 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.417 35.265 0.936 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.298 33.587 1.515 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.430 34.718 2.293 1.00 25.19 H new ATOM 147 N GLN A 10 20.571 31.475 -1.589 1.00 11.13 N ATOM 148 CA GLN A 10 20.574 31.160 -3.043 1.00 10.86 C ATOM 149 C GLN A 10 20.179 29.684 -3.219 1.00 10.00 C ATOM 150 O GLN A 10 20.642 28.847 -2.470 1.00 10.42 O ATOM 151 CB GLN A 10 21.994 31.387 -3.586 1.00 14.27 C ATOM 152 CG GLN A 10 22.033 31.178 -5.102 1.00 22.05 C ATOM 153 CD GLN A 10 23.482 31.249 -5.590 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.404 31.090 -4.815 1.00 32.99 O ATOM 155 NE2 GLN A 10 23.724 31.482 -6.852 1.00 34.61 N ATOM 0 H GLN A 10 20.832 30.696 -0.984 1.00 11.13 H new ATOM 0 HA GLN A 10 19.871 31.795 -3.582 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.324 32.397 -3.345 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.688 30.701 -3.101 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.599 30.211 -5.358 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.433 31.939 -5.600 1.00 22.05 H new ATOM 0 HE21 GLN A 10 22.951 31.616 -7.503 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.686 31.530 -7.186 1.00 34.61 H new ATOM 164 N PRO A 11 19.344 29.385 -4.192 1.00 6.53 N ATOM 165 CA PRO A 11 18.919 27.996 -4.428 1.00 7.75 C ATOM 166 C PRO A 11 20.149 27.091 -4.529 1.00 6.33 C ATOM 167 O PRO A 11 21.079 27.368 -5.258 1.00 9.49 O ATOM 168 CB PRO A 11 18.138 28.039 -5.752 1.00 8.32 C ATOM 169 CG PRO A 11 17.984 29.531 -6.148 1.00 7.94 C ATOM 170 CD PRO A 11 18.763 30.372 -5.124 1.00 11.72 C ATOM 0 HA PRO A 11 18.304 27.596 -3.622 1.00 7.75 H new ATOM 0 HB2 PRO A 11 18.668 27.488 -6.529 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.161 27.569 -5.638 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.369 29.701 -7.154 1.00 7.94 H new ATOM 0 HG3 PRO A 11 16.932 29.817 -6.156 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.539 30.965 -5.607 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.107 31.070 -4.603 1.00 11.72 H new ATOM 178 N GLY A 12 20.161 26.018 -3.789 1.00 5.64 N ATOM 179 CA GLY A 12 21.330 25.100 -3.824 1.00 8.39 C ATOM 180 C GLY A 12 22.442 25.666 -2.937 1.00 7.67 C ATOM 181 O GLY A 12 23.606 25.371 -3.119 1.00 10.24 O ATOM 0 H GLY A 12 19.409 25.738 -3.160 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.040 24.109 -3.476 1.00 8.39 H new ATOM 0 HA3 GLY A 12 21.687 24.986 -4.847 1.00 8.39 H new ATOM 185 N LYS A 13 22.088 26.482 -1.978 1.00 9.66 N ATOM 186 CA LYS A 13 23.119 27.076 -1.075 1.00 10.29 C ATOM 187 C LYS A 13 22.571 27.135 0.353 1.00 10.20 C ATOM 188 O LYS A 13 21.426 27.480 0.572 1.00 6.89 O ATOM 189 CB LYS A 13 23.451 28.491 -1.554 1.00 9.77 C ATOM 190 CG LYS A 13 24.742 28.975 -0.891 1.00 10.63 C ATOM 191 CD LYS A 13 24.998 30.430 -1.291 1.00 12.04 C ATOM 192 CE LYS A 13 26.131 31.005 -0.440 1.00 19.12 C ATOM 193 NZ LYS A 13 27.331 30.127 -0.548 1.00 25.36 N ATOM 0 H LYS A 13 21.128 26.763 -1.781 1.00 9.66 H new ATOM 0 HA LYS A 13 24.020 26.463 -1.092 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.563 28.501 -2.638 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.632 29.168 -1.312 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.662 28.892 0.193 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.579 28.348 -1.197 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.259 30.487 -2.348 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.092 31.020 -1.154 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.374 32.014 -0.774 1.00 19.12 H new ATOM 0 HE3 LYS A 13 25.816 31.081 0.601 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 28.174 30.651 -0.236 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.203 29.288 0.053 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.455 29.829 -1.537 1.00 25.36 H new ATOM 207 N VAL A 14 23.376 26.796 1.327 1.00 10.89 N ATOM 208 CA VAL A 14 22.901 26.828 2.736 1.00 9.99 C ATOM 209 C VAL A 14 23.461 28.063 3.445 1.00 5.01 C ATOM 210 O VAL A 14 24.619 28.403 3.304 1.00 6.68 O ATOM 211 CB VAL A 14 23.370 25.566 3.458 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.851 25.576 4.896 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.826 24.336 2.731 1.00 5.86 C ATOM 0 H VAL A 14 24.344 26.498 1.203 1.00 10.89 H new ATOM 0 HA VAL A 14 21.812 26.872 2.749 1.00 9.99 H new ATOM 0 HB VAL A 14 24.460 25.535 3.466 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.186 24.675 5.410 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.235 26.454 5.415 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.761 25.606 4.889 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.159 23.434 3.244 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.737 24.369 2.725 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.194 24.327 1.705 1.00 5.86 H new ATOM 223 N VAL A 15 22.647 28.730 4.215 1.00 3.11 N ATOM 224 CA VAL A 15 23.120 29.939 4.949 1.00 10.10 C ATOM 225 C VAL A 15 22.413 29.982 6.307 1.00 9.35 C ATOM 226 O VAL A 15 21.275 29.576 6.430 1.00 11.00 O ATOM 227 CB VAL A 15 22.801 31.198 4.116 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.727 32.052 4.801 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.074 32.033 3.941 1.00 10.96 C ATOM 0 H VAL A 15 21.668 28.489 4.369 1.00 3.11 H new ATOM 0 HA VAL A 15 24.198 29.903 5.108 1.00 10.10 H new ATOM 0 HB VAL A 15 22.425 30.879 3.144 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.521 32.933 4.193 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.814 31.467 4.914 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.082 32.364 5.783 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.848 32.922 3.352 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.451 32.332 4.919 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.830 31.440 3.427 1.00 10.96 H new ATOM 239 N VAL A 16 23.082 30.443 7.332 1.00 8.87 N ATOM 240 CA VAL A 16 22.447 30.474 8.679 1.00 5.41 C ATOM 241 C VAL A 16 22.577 31.857 9.318 1.00 6.62 C ATOM 242 O VAL A 16 23.663 32.365 9.513 1.00 8.94 O ATOM 243 CB VAL A 16 23.141 29.451 9.581 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.454 29.404 10.957 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.077 28.070 8.924 1.00 5.31 C ATOM 0 H VAL A 16 24.037 30.798 7.293 1.00 8.87 H new ATOM 0 HA VAL A 16 21.389 30.238 8.566 1.00 5.41 H new ATOM 0 HB VAL A 16 24.182 29.743 9.719 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.957 28.673 11.590 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.509 30.387 11.425 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.409 29.119 10.833 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.571 27.339 9.564 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.035 27.783 8.782 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.579 28.103 7.957 1.00 5.31 H new ATOM 255 N PHE A 17 21.473 32.451 9.684 1.00 5.51 N ATOM 256 CA PHE A 17 21.523 33.777 10.354 1.00 5.80 C ATOM 257 C PHE A 17 21.596 33.529 11.862 1.00 7.23 C ATOM 258 O PHE A 17 20.759 32.851 12.426 1.00 5.39 O ATOM 259 CB PHE A 17 20.264 34.567 10.007 1.00 5.73 C ATOM 260 CG PHE A 17 20.288 34.908 8.539 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.925 33.945 7.592 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.683 36.183 8.124 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.955 34.257 6.229 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.716 36.496 6.761 1.00 5.88 C ATOM 265 CZ PHE A 17 20.351 35.533 5.813 1.00 5.73 C ATOM 0 H PHE A 17 20.536 32.071 9.546 1.00 5.51 H new ATOM 0 HA PHE A 17 22.390 34.351 10.025 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.375 33.982 10.243 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.214 35.477 10.604 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.621 32.960 7.913 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.963 36.926 8.856 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.673 33.514 5.498 1.00 9.93 H new ATOM 0 HE2 PHE A 17 21.023 37.480 6.440 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.375 35.775 4.761 1.00 5.73 H new ATOM 275 N ILE A 18 22.610 34.034 12.509 1.00 8.64 N ATOM 276 CA ILE A 18 22.766 33.785 13.975 1.00 6.83 C ATOM 277 C ILE A 18 23.031 35.088 14.723 1.00 10.62 C ATOM 278 O ILE A 18 22.952 36.173 14.185 1.00 6.74 O ATOM 279 CB ILE A 18 23.968 32.855 14.185 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.171 33.402 13.404 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.632 31.440 13.691 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.438 32.660 13.835 1.00 8.36 C ATOM 0 H ILE A 18 23.339 34.609 12.088 1.00 8.64 H new ATOM 0 HA ILE A 18 21.847 33.339 14.356 1.00 6.83 H new ATOM 0 HB ILE A 18 24.208 32.810 15.247 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.010 33.278 12.333 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.282 34.471 13.588 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.491 30.787 13.844 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.779 31.053 14.248 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.387 31.474 12.629 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.293 33.048 13.281 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.600 32.807 14.903 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.324 31.596 13.629 1.00 8.36 H new ATOM 294 N LYS A 19 23.367 34.955 15.969 1.00 12.12 N ATOM 295 CA LYS A 19 23.680 36.124 16.828 1.00 15.62 C ATOM 296 C LYS A 19 24.713 35.634 17.847 1.00 16.36 C ATOM 297 O LYS A 19 24.339 35.109 18.875 1.00 13.35 O ATOM 298 CB LYS A 19 22.412 36.587 17.571 1.00 18.25 C ATOM 299 CG LYS A 19 21.594 37.562 16.700 1.00 25.24 C ATOM 300 CD LYS A 19 20.960 38.649 17.580 1.00 30.64 C ATOM 301 CE LYS A 19 19.879 38.027 18.466 1.00 31.75 C ATOM 302 NZ LYS A 19 18.664 37.761 17.647 1.00 38.73 N ATOM 0 H LYS A 19 23.440 34.055 16.444 1.00 12.12 H new ATOM 0 HA LYS A 19 24.053 36.961 16.238 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.801 35.723 17.830 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.690 37.073 18.506 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.238 38.020 15.950 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.817 37.018 16.163 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.723 39.122 18.198 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.527 39.430 16.955 1.00 30.64 H new ATOM 0 HE2 LYS A 19 20.244 37.100 18.908 1.00 31.75 H new ATOM 0 HE3 LYS A 19 19.637 38.699 19.289 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 17.958 37.261 18.225 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 18.265 38.662 17.315 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.919 37.173 16.828 1.00 38.73 H new ATOM 316 N PRO A 20 25.982 35.769 17.525 1.00 17.46 N ATOM 317 CA PRO A 20 27.061 35.284 18.403 1.00 20.12 C ATOM 318 C PRO A 20 26.827 35.719 19.851 1.00 24.12 C ATOM 319 O PRO A 20 27.468 36.617 20.361 1.00 24.58 O ATOM 320 CB PRO A 20 28.344 35.883 17.813 1.00 20.63 C ATOM 321 CG PRO A 20 27.984 36.460 16.420 1.00 18.08 C ATOM 322 CD PRO A 20 26.449 36.424 16.286 1.00 17.14 C ATOM 0 HA PRO A 20 27.114 34.196 18.440 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.738 36.665 18.463 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.119 35.121 17.725 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.354 37.481 16.321 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.452 35.873 15.629 1.00 18.08 H new ATOM 0 HD2 PRO A 20 26.036 37.428 16.188 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.141 35.865 15.402 1.00 17.14 H new ATOM 330 N THR A 21 25.911 35.067 20.515 1.00 24.78 N ATOM 331 CA THR A 21 25.614 35.405 21.931 1.00 27.36 C ATOM 332 C THR A 21 24.678 34.342 22.514 1.00 24.99 C ATOM 333 O THR A 21 24.755 34.009 23.679 1.00 26.49 O ATOM 334 CB THR A 21 24.934 36.777 22.007 1.00 28.64 C ATOM 335 OG1 THR A 21 25.686 37.723 21.262 1.00 30.99 O ATOM 336 CG2 THR A 21 24.852 37.225 23.467 1.00 34.82 C ATOM 0 H THR A 21 25.351 34.306 20.130 1.00 24.78 H new ATOM 0 HA THR A 21 26.544 35.434 22.500 1.00 27.36 H new ATOM 0 HB THR A 21 23.929 36.707 21.591 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.640 37.512 21.334 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.369 38.200 23.522 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.272 36.500 24.038 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.857 37.294 23.883 1.00 34.82 H new ATOM 344 N CYS A 22 23.783 33.812 21.712 1.00 21.46 N ATOM 345 CA CYS A 22 22.833 32.778 22.228 1.00 17.23 C ATOM 346 C CYS A 22 23.344 31.362 21.871 1.00 14.71 C ATOM 347 O CYS A 22 23.738 31.127 20.747 1.00 13.71 O ATOM 348 CB CYS A 22 21.455 33.016 21.598 1.00 15.71 C ATOM 349 SG CYS A 22 20.171 32.730 22.843 1.00 9.78 S ATOM 0 H CYS A 22 23.671 34.051 20.727 1.00 21.46 H new ATOM 0 HA CYS A 22 22.759 32.854 23.313 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.388 34.035 21.217 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.310 32.348 20.749 1.00 15.71 H new ATOM 354 N PRO A 23 23.327 30.456 22.833 1.00 13.86 N ATOM 355 CA PRO A 23 23.793 29.067 22.616 1.00 13.47 C ATOM 356 C PRO A 23 22.990 28.360 21.513 1.00 8.59 C ATOM 357 O PRO A 23 23.471 27.432 20.893 1.00 10.79 O ATOM 358 CB PRO A 23 23.585 28.362 23.962 1.00 11.94 C ATOM 359 CG PRO A 23 23.075 29.414 24.969 1.00 7.24 C ATOM 360 CD PRO A 23 22.856 30.732 24.205 1.00 12.58 C ATOM 0 HA PRO A 23 24.832 29.048 22.289 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.866 27.549 23.861 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.518 27.920 24.310 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.145 29.081 25.430 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.797 29.554 25.773 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.806 31.023 24.211 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.416 31.550 24.658 1.00 12.58 H new ATOM 368 N TYR A 24 21.778 28.776 21.263 1.00 0.00 N ATOM 369 CA TYR A 24 20.976 28.099 20.201 1.00 0.00 C ATOM 370 C TYR A 24 21.558 28.442 18.838 1.00 0.00 C ATOM 371 O TYR A 24 21.625 27.612 17.953 1.00 0.00 O ATOM 372 CB TYR A 24 19.521 28.561 20.273 1.00 0.00 C ATOM 373 CG TYR A 24 18.797 27.742 21.308 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.885 28.085 22.660 1.00 0.00 C ATOM 375 CD2 TYR A 24 18.045 26.630 20.911 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.219 27.316 23.619 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.377 25.861 21.869 1.00 0.00 C ATOM 378 CZ TYR A 24 17.464 26.203 23.224 1.00 0.00 C ATOM 379 OH TYR A 24 16.808 25.444 24.170 1.00 0.00 O ATOM 0 H TYR A 24 21.311 29.547 21.742 1.00 0.00 H new ATOM 0 HA TYR A 24 21.012 27.020 20.352 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.474 29.619 20.530 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.042 28.448 19.301 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.467 28.943 22.964 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.981 26.366 19.866 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.286 27.580 24.664 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.795 25.004 21.564 1.00 0.00 H new ATOM 0 HH TYR A 24 16.331 24.711 23.728 1.00 0.00 H new ATOM 389 N SER A 25 21.999 29.648 18.664 1.00 0.00 N ATOM 390 CA SER A 25 22.599 30.023 17.362 1.00 0.00 C ATOM 391 C SER A 25 23.884 29.213 17.190 1.00 0.00 C ATOM 392 O SER A 25 24.187 28.722 16.122 1.00 0.00 O ATOM 393 CB SER A 25 22.916 31.519 17.360 1.00 0.00 C ATOM 394 OG SER A 25 22.293 32.129 18.483 1.00 0.00 O ATOM 0 H SER A 25 21.971 30.389 19.364 1.00 0.00 H new ATOM 0 HA SER A 25 21.911 29.814 16.543 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.994 31.675 17.398 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.560 31.977 16.437 1.00 0.00 H new ATOM 0 HG SER A 25 22.829 31.961 19.286 1.00 0.00 H new ATOM 400 N ARG A 26 24.628 29.054 18.250 1.00 16.21 N ATOM 401 CA ARG A 26 25.884 28.259 18.171 1.00 15.67 C ATOM 402 C ARG A 26 25.540 26.821 17.774 1.00 13.70 C ATOM 403 O ARG A 26 26.225 26.203 16.985 1.00 12.41 O ATOM 404 CB ARG A 26 26.572 28.258 19.544 1.00 22.04 C ATOM 405 CG ARG A 26 27.460 29.501 19.687 1.00 31.64 C ATOM 406 CD ARG A 26 28.874 29.180 19.198 1.00 43.08 C ATOM 407 NE ARG A 26 29.452 28.087 20.032 1.00 52.93 N ATOM 408 CZ ARG A 26 30.506 27.441 19.616 1.00 57.80 C ATOM 409 NH1 ARG A 26 31.043 27.746 18.468 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.021 26.489 20.345 1.00 59.59 N ATOM 0 H ARG A 26 24.419 29.442 19.170 1.00 16.21 H new ATOM 0 HA ARG A 26 26.553 28.696 17.430 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.823 28.243 20.335 1.00 22.04 H new ATOM 0 HB3 ARG A 26 27.174 27.356 19.658 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.043 30.326 19.110 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.488 29.822 20.728 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.849 28.878 18.151 1.00 43.08 H new ATOM 0 HD3 ARG A 26 29.502 30.069 19.258 1.00 43.08 H new ATOM 0 HE ARG A 26 29.024 27.845 20.926 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.639 28.488 17.897 1.00 58.61 H new ATOM 0 HH12 ARG A 26 31.867 27.242 18.141 1.00 58.61 H new ATOM 0 HH21 ARG A 26 30.599 26.249 21.242 1.00 59.59 H new ATOM 0 HH22 ARG A 26 31.845 25.985 20.018 1.00 59.59 H new ATOM 424 N ARG A 27 24.483 26.282 18.319 1.00 0.00 N ATOM 425 CA ARG A 27 24.103 24.884 17.974 1.00 0.00 C ATOM 426 C ARG A 27 24.058 24.736 16.453 1.00 0.00 C ATOM 427 O ARG A 27 24.597 23.802 15.895 1.00 0.00 O ATOM 428 CB ARG A 27 22.723 24.561 18.572 1.00 0.00 C ATOM 429 CG ARG A 27 22.827 23.354 19.513 1.00 0.00 C ATOM 430 CD ARG A 27 23.501 23.774 20.827 1.00 0.00 C ATOM 431 NE ARG A 27 24.592 22.812 21.144 1.00 0.00 N ATOM 432 CZ ARG A 27 25.488 23.110 22.044 1.00 0.00 C ATOM 433 NH1 ARG A 27 25.433 24.255 22.669 1.00 0.00 N ATOM 434 NH2 ARG A 27 26.440 22.262 22.316 1.00 0.00 N ATOM 0 H ARG A 27 23.868 26.748 18.986 1.00 0.00 H new ATOM 0 HA ARG A 27 24.838 24.192 18.384 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.343 25.425 19.117 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.012 24.349 17.773 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.834 22.953 19.715 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.401 22.559 19.037 1.00 0.00 H new ATOM 0 HD2 ARG A 27 23.904 24.783 20.737 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.770 23.793 21.635 1.00 0.00 H new ATOM 0 HE ARG A 27 24.639 21.917 20.656 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.689 24.918 22.454 1.00 0.00 H new ATOM 0 HH12 ARG A 27 26.134 24.486 23.372 1.00 0.00 H new ATOM 0 HH21 ARG A 27 26.483 21.369 21.826 1.00 0.00 H new ATOM 0 HH22 ARG A 27 27.142 22.492 23.019 1.00 0.00 H new ATOM 448 N ALA A 28 23.422 25.651 15.776 1.00 0.00 N ATOM 449 CA ALA A 28 23.351 25.554 14.294 1.00 0.00 C ATOM 450 C ALA A 28 24.769 25.556 13.725 1.00 0.00 C ATOM 451 O ALA A 28 25.063 24.891 12.753 1.00 0.00 O ATOM 452 CB ALA A 28 22.577 26.751 13.738 1.00 0.00 C ATOM 0 H ALA A 28 22.950 26.458 16.184 1.00 0.00 H new ATOM 0 HA ALA A 28 22.841 24.633 14.011 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.526 26.678 12.652 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.568 26.754 14.149 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.085 27.674 14.016 1.00 0.00 H new ATOM 458 N GLN A 29 25.650 26.304 14.327 1.00 19.83 N ATOM 459 CA GLN A 29 27.051 26.362 13.833 1.00 20.83 C ATOM 460 C GLN A 29 27.770 25.048 14.141 1.00 20.95 C ATOM 461 O GLN A 29 28.482 24.505 13.320 1.00 22.85 O ATOM 462 CB GLN A 29 27.778 27.514 14.531 1.00 21.33 C ATOM 463 CG GLN A 29 27.140 28.850 14.130 1.00 34.02 C ATOM 464 CD GLN A 29 28.186 29.965 14.216 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.674 30.436 13.208 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.552 30.410 15.387 1.00 45.49 N ATOM 0 H GLN A 29 25.457 26.881 15.146 1.00 19.83 H new ATOM 0 HA GLN A 29 27.048 26.521 12.755 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.727 27.386 15.612 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.833 27.508 14.259 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.745 28.786 13.116 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.299 29.075 14.786 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.143 30.015 16.234 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.247 31.153 15.456 1.00 45.49 H new ATOM 475 N GLU A 30 27.602 24.550 15.329 1.00 22.87 N ATOM 476 CA GLU A 30 28.284 23.285 15.722 1.00 23.32 C ATOM 477 C GLU A 30 27.683 22.084 14.981 1.00 22.32 C ATOM 478 O GLU A 30 28.375 21.137 14.667 1.00 25.42 O ATOM 479 CB GLU A 30 28.122 23.083 17.229 1.00 24.18 C ATOM 480 CG GLU A 30 28.717 24.283 17.970 1.00 32.27 C ATOM 481 CD GLU A 30 30.244 24.233 17.885 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.815 23.283 18.394 1.00 32.92 O ATOM 483 OE2 GLU A 30 30.816 25.147 17.314 1.00 34.69 O ATOM 0 H GLU A 30 27.017 24.966 16.053 1.00 22.87 H new ATOM 0 HA GLU A 30 29.339 23.358 15.458 1.00 23.32 H new ATOM 0 HB2 GLU A 30 27.067 22.973 17.481 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.622 22.165 17.540 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.349 25.212 17.534 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.400 24.273 19.013 1.00 32.27 H new ATOM 490 N ILE A 31 26.404 22.094 14.720 1.00 0.00 N ATOM 491 CA ILE A 31 25.783 20.927 14.024 1.00 0.00 C ATOM 492 C ILE A 31 26.067 20.978 12.515 1.00 0.00 C ATOM 493 O ILE A 31 26.625 20.054 11.958 1.00 0.00 O ATOM 494 CB ILE A 31 24.271 20.920 14.301 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.666 19.555 13.926 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.578 22.041 13.524 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.790 19.281 12.421 1.00 0.00 C ATOM 0 H ILE A 31 25.765 22.853 14.956 1.00 0.00 H new ATOM 0 HA ILE A 31 26.219 20.004 14.407 1.00 0.00 H new ATOM 0 HB ILE A 31 24.114 21.091 15.366 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.171 18.766 14.484 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.616 19.529 14.217 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.508 22.021 13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.989 23.003 13.829 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.742 21.899 12.456 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.353 18.309 12.191 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.263 20.057 11.865 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.842 19.282 12.136 1.00 0.00 H new ATOM 509 N LEU A 32 25.692 22.033 11.841 1.00 16.72 N ATOM 510 CA LEU A 32 25.947 22.103 10.376 1.00 15.05 C ATOM 511 C LEU A 32 27.449 22.024 10.100 1.00 15.55 C ATOM 512 O LEU A 32 27.870 21.692 9.010 1.00 17.28 O ATOM 513 CB LEU A 32 25.372 23.411 9.822 1.00 12.57 C ATOM 514 CG LEU A 32 23.932 23.180 9.335 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.129 24.477 9.460 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.952 22.734 7.866 1.00 12.45 C ATOM 0 H LEU A 32 25.222 22.845 12.241 1.00 16.72 H new ATOM 0 HA LEU A 32 25.461 21.261 9.883 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.386 24.181 10.593 1.00 12.57 H new ATOM 0 HB3 LEU A 32 25.990 23.772 9.000 1.00 12.57 H new ATOM 0 HG LEU A 32 23.467 22.406 9.946 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.109 24.308 9.114 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.110 24.794 10.503 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.595 25.253 8.853 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.931 22.570 7.521 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.421 23.507 7.257 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.519 21.807 7.775 1.00 12.45 H new ATOM 528 N SER A 33 28.261 22.318 11.071 1.00 16.31 N ATOM 529 CA SER A 33 29.728 22.245 10.844 1.00 18.98 C ATOM 530 C SER A 33 30.121 20.787 10.581 1.00 18.49 C ATOM 531 O SER A 33 31.108 20.508 9.929 1.00 21.34 O ATOM 532 CB SER A 33 30.461 22.762 12.084 1.00 19.20 C ATOM 533 OG SER A 33 29.718 22.416 13.244 1.00 24.11 O ATOM 0 H SER A 33 27.976 22.604 12.008 1.00 16.31 H new ATOM 0 HA SER A 33 30.001 22.858 9.985 1.00 18.98 H new ATOM 0 HB2 SER A 33 31.461 22.331 12.136 1.00 19.20 H new ATOM 0 HB3 SER A 33 30.583 23.844 12.025 1.00 19.20 H new ATOM 0 HG SER A 33 29.785 21.451 13.400 1.00 24.11 H new ATOM 539 N GLN A 34 29.358 19.856 11.091 1.00 20.00 N ATOM 540 CA GLN A 34 29.683 18.414 10.885 1.00 24.71 C ATOM 541 C GLN A 34 29.000 17.882 9.619 1.00 23.33 C ATOM 542 O GLN A 34 29.071 16.706 9.322 1.00 26.27 O ATOM 543 CB GLN A 34 29.202 17.615 12.099 1.00 28.15 C ATOM 544 CG GLN A 34 30.233 17.717 13.227 1.00 37.01 C ATOM 545 CD GLN A 34 30.157 19.102 13.872 1.00 41.74 C ATOM 546 OE1 GLN A 34 30.598 20.139 13.214 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 29.696 19.240 14.988 1.00 41.20 N flip ATOM 0 H GLN A 34 28.520 20.034 11.644 1.00 20.00 H new ATOM 0 HA GLN A 34 30.761 18.307 10.768 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.239 17.996 12.438 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.053 16.571 11.823 1.00 28.15 H new ATOM 0 HG2 GLN A 34 30.046 16.946 13.975 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.235 17.543 12.834 1.00 37.01 H new ATOM 0 HE21 GLN A 34 29.352 18.429 15.501 1.00 41.20 H new ATOM 0 HE22 GLN A 34 29.654 20.167 15.411 1.00 41.20 H new ATOM 556 N LEU A 35 28.338 18.722 8.869 1.00 19.63 N ATOM 557 CA LEU A 35 27.661 18.234 7.633 1.00 15.93 C ATOM 558 C LEU A 35 28.619 18.365 6.431 1.00 13.36 C ATOM 559 O LEU A 35 29.167 19.425 6.206 1.00 16.12 O ATOM 560 CB LEU A 35 26.408 19.084 7.379 1.00 13.69 C ATOM 561 CG LEU A 35 25.227 18.578 8.226 1.00 11.57 C ATOM 562 CD1 LEU A 35 24.001 19.470 7.980 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.881 17.127 7.843 1.00 16.28 C ATOM 0 H LEU A 35 28.237 19.719 9.057 1.00 19.63 H new ATOM 0 HA LEU A 35 27.381 17.188 7.758 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.615 20.127 7.620 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.146 19.047 6.322 1.00 13.69 H new ATOM 0 HG LEU A 35 25.507 18.614 9.279 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.164 19.112 8.580 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.236 20.497 8.261 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.732 19.435 6.924 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.044 16.780 8.449 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.608 17.084 6.789 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.746 16.488 8.020 1.00 16.28 H new ATOM 575 N PRO A 36 28.794 17.289 5.683 1.00 16.38 N ATOM 576 CA PRO A 36 29.681 17.296 4.502 1.00 17.59 C ATOM 577 C PRO A 36 29.094 18.198 3.410 1.00 19.11 C ATOM 578 O PRO A 36 28.718 17.748 2.345 1.00 21.54 O ATOM 579 CB PRO A 36 29.720 15.835 4.033 1.00 16.71 C ATOM 580 CG PRO A 36 28.599 15.087 4.790 1.00 16.59 C ATOM 581 CD PRO A 36 28.142 15.990 5.945 1.00 15.74 C ATOM 0 HA PRO A 36 30.676 17.679 4.729 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.566 15.772 2.956 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.692 15.388 4.243 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.766 14.867 4.122 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.963 14.133 5.170 1.00 16.59 H new ATOM 0 HD2 PRO A 36 27.057 16.088 5.966 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.444 15.583 6.910 1.00 15.74 H new ATOM 589 N ILE A 37 29.014 19.467 3.669 1.00 0.00 N ATOM 590 CA ILE A 37 28.452 20.404 2.657 1.00 0.00 C ATOM 591 C ILE A 37 29.515 20.701 1.598 1.00 0.00 C ATOM 592 O ILE A 37 30.700 20.619 1.853 1.00 0.00 O ATOM 593 CB ILE A 37 28.048 21.712 3.340 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.903 21.443 4.334 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.609 22.725 2.275 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.546 21.587 3.642 1.00 0.00 C ATOM 0 H ILE A 37 29.314 19.902 4.542 1.00 0.00 H new ATOM 0 HA ILE A 37 27.579 19.950 2.188 1.00 0.00 H new ATOM 0 HB ILE A 37 28.896 22.121 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 37 27.002 20.440 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.968 22.140 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.320 23.659 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.435 22.912 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.760 22.325 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.749 21.393 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.443 22.599 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.478 20.872 2.822 1.00 0.00 H new ATOM 608 N LYS A 38 29.101 21.045 0.410 1.00 12.68 N ATOM 609 CA LYS A 38 30.086 21.345 -0.663 1.00 12.78 C ATOM 610 C LYS A 38 31.043 22.439 -0.184 1.00 14.66 C ATOM 611 O LYS A 38 31.070 22.785 0.979 1.00 13.94 O ATOM 612 CB LYS A 38 29.345 21.812 -1.918 1.00 11.68 C ATOM 613 CG LYS A 38 28.692 20.608 -2.611 1.00 12.28 C ATOM 614 CD LYS A 38 29.682 19.960 -3.591 1.00 13.74 C ATOM 615 CE LYS A 38 29.938 20.891 -4.784 1.00 20.88 C ATOM 616 NZ LYS A 38 30.167 20.073 -6.009 1.00 29.41 N ATOM 0 H LYS A 38 28.122 21.131 0.137 1.00 12.68 H new ATOM 0 HA LYS A 38 30.658 20.447 -0.898 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.585 22.547 -1.651 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.039 22.304 -2.600 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.375 19.878 -1.866 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.797 20.927 -3.145 1.00 12.28 H new ATOM 0 HD2 LYS A 38 30.621 19.745 -3.081 1.00 13.74 H new ATOM 0 HD3 LYS A 38 29.285 19.008 -3.943 1.00 13.74 H new ATOM 0 HE2 LYS A 38 29.086 21.555 -4.931 1.00 20.88 H new ATOM 0 HE3 LYS A 38 30.804 21.522 -4.588 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 30.341 20.702 -6.819 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 30.993 19.457 -5.866 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 29.328 19.489 -6.198 1.00 29.41 H new ATOM 630 N GLN A 39 31.837 22.973 -1.072 1.00 0.00 N ATOM 631 CA GLN A 39 32.809 24.037 -0.679 1.00 0.00 C ATOM 632 C GLN A 39 32.106 25.178 0.070 1.00 0.00 C ATOM 633 O GLN A 39 31.388 24.966 1.027 1.00 0.00 O ATOM 634 CB GLN A 39 33.489 24.592 -1.933 1.00 0.00 C ATOM 635 CG GLN A 39 34.213 23.460 -2.667 1.00 0.00 C ATOM 636 CD GLN A 39 35.355 22.932 -1.797 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.113 21.989 -0.928 1.00 0.00 O flip ATOM 638 NE2 GLN A 39 36.479 23.379 -1.911 1.00 0.00 N flip ATOM 0 H GLN A 39 31.855 22.717 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 39 33.552 23.597 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.748 25.049 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.198 25.374 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 39 33.514 22.655 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 39 34.604 23.821 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.668 24.116 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.233 23.017 -1.328 1.00 0.00 H new ATOM 647 N GLY A 40 32.334 26.395 -0.351 1.00 11.96 N ATOM 648 CA GLY A 40 31.713 27.563 0.337 1.00 8.67 C ATOM 649 C GLY A 40 30.195 27.542 0.179 1.00 10.51 C ATOM 650 O GLY A 40 29.587 28.538 -0.161 1.00 15.27 O ATOM 0 H GLY A 40 32.927 26.630 -1.147 1.00 11.96 H new ATOM 0 HA2 GLY A 40 31.973 27.548 1.395 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.113 28.489 -0.076 1.00 8.67 H new ATOM 654 N LEU A 41 29.573 26.427 0.435 1.00 8.78 N ATOM 655 CA LEU A 41 28.084 26.363 0.308 1.00 6.78 C ATOM 656 C LEU A 41 27.449 26.545 1.689 1.00 7.45 C ATOM 657 O LEU A 41 26.286 26.878 1.808 1.00 2.18 O ATOM 658 CB LEU A 41 27.672 25.007 -0.288 1.00 6.98 C ATOM 659 CG LEU A 41 26.809 25.215 -1.546 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.712 25.362 -2.775 1.00 7.97 C ATOM 661 CD2 LEU A 41 25.876 24.011 -1.742 1.00 6.68 C ATOM 0 H LEU A 41 30.024 25.559 0.725 1.00 8.78 H new ATOM 0 HA LEU A 41 27.739 27.158 -0.353 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.560 24.428 -0.540 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.116 24.431 0.452 1.00 6.98 H new ATOM 0 HG LEU A 41 26.213 26.119 -1.422 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.097 25.509 -3.663 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.370 26.221 -2.643 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.313 24.460 -2.895 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.268 24.163 -2.633 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.471 23.105 -1.859 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.226 23.909 -0.873 1.00 6.68 H new ATOM 673 N LEU A 42 28.208 26.342 2.731 1.00 7.13 N ATOM 674 CA LEU A 42 27.662 26.515 4.111 1.00 6.20 C ATOM 675 C LEU A 42 28.248 27.793 4.710 1.00 5.03 C ATOM 676 O LEU A 42 29.444 28.008 4.676 1.00 5.38 O ATOM 677 CB LEU A 42 28.064 25.314 4.972 1.00 3.82 C ATOM 678 CG LEU A 42 27.653 25.552 6.432 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.141 25.786 6.514 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.022 24.322 7.269 1.00 2.48 C ATOM 0 H LEU A 42 29.188 26.062 2.687 1.00 7.13 H new ATOM 0 HA LEU A 42 26.575 26.584 4.078 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.587 24.410 4.594 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.141 25.156 4.910 1.00 3.82 H new ATOM 0 HG LEU A 42 28.174 26.429 6.815 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.855 25.954 7.552 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.875 26.659 5.918 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.616 24.911 6.130 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.732 24.487 8.306 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.499 23.448 6.881 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.098 24.155 7.216 1.00 2.48 H new ATOM 692 N GLU A 43 27.425 28.650 5.250 1.00 5.92 N ATOM 693 CA GLU A 43 27.959 29.913 5.835 1.00 7.54 C ATOM 694 C GLU A 43 27.202 30.273 7.116 1.00 6.00 C ATOM 695 O GLU A 43 26.150 29.739 7.408 1.00 4.97 O ATOM 696 CB GLU A 43 27.799 31.049 4.816 1.00 8.77 C ATOM 697 CG GLU A 43 28.952 32.050 4.968 1.00 16.17 C ATOM 698 CD GLU A 43 30.185 31.531 4.222 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.011 30.909 3.188 1.00 22.03 O ATOM 700 OE2 GLU A 43 31.283 31.763 4.702 1.00 19.19 O ATOM 0 H GLU A 43 26.414 28.532 5.311 1.00 5.92 H new ATOM 0 HA GLU A 43 29.012 29.772 6.077 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.788 30.643 3.804 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.845 31.554 4.967 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.658 33.022 4.572 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.186 32.193 6.023 1.00 16.17 H new ATOM 707 N PHE A 44 27.737 31.198 7.863 1.00 7.78 N ATOM 708 CA PHE A 44 27.082 31.651 9.122 1.00 9.60 C ATOM 709 C PHE A 44 26.974 33.173 9.056 1.00 6.71 C ATOM 710 O PHE A 44 27.963 33.877 9.092 1.00 6.85 O ATOM 711 CB PHE A 44 27.937 31.228 10.316 1.00 12.09 C ATOM 712 CG PHE A 44 28.284 29.766 10.170 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.317 28.789 10.435 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.567 29.387 9.757 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.634 27.434 10.291 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.884 28.032 9.614 1.00 16.33 C ATOM 717 CZ PHE A 44 28.918 27.055 9.881 1.00 10.85 C ATOM 0 H PHE A 44 28.617 31.668 7.650 1.00 7.78 H new ATOM 0 HA PHE A 44 26.093 31.208 9.236 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.845 31.829 10.362 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.396 31.397 11.247 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.326 29.081 10.751 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.312 30.141 9.549 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.888 26.680 10.496 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.874 27.740 9.298 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.163 26.009 9.771 1.00 10.85 H new ATOM 727 N VAL A 45 25.784 33.684 8.907 1.00 6.10 N ATOM 728 CA VAL A 45 25.618 35.159 8.779 1.00 6.58 C ATOM 729 C VAL A 45 25.302 35.803 10.129 1.00 6.12 C ATOM 730 O VAL A 45 24.210 35.690 10.649 1.00 5.14 O ATOM 731 CB VAL A 45 24.475 35.441 7.806 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.202 36.946 7.758 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.870 34.942 6.414 1.00 2.33 C ATOM 0 H VAL A 45 24.919 33.144 8.868 1.00 6.10 H new ATOM 0 HA VAL A 45 26.552 35.584 8.412 1.00 6.58 H new ATOM 0 HB VAL A 45 23.573 34.926 8.137 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.386 37.146 7.063 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.926 37.298 8.752 1.00 2.00 H new ATOM 0 HG13 VAL A 45 25.099 37.468 7.424 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.059 35.140 5.713 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.770 35.461 6.083 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.063 33.870 6.453 1.00 2.33 H new ATOM 743 N ASP A 46 26.251 36.508 10.679 1.00 6.79 N ATOM 744 CA ASP A 46 26.022 37.200 11.974 1.00 6.49 C ATOM 745 C ASP A 46 25.291 38.518 11.692 1.00 9.11 C ATOM 746 O ASP A 46 25.884 39.481 11.249 1.00 7.52 O ATOM 747 CB ASP A 46 27.375 37.482 12.628 1.00 7.84 C ATOM 748 CG ASP A 46 28.053 36.158 12.983 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.421 35.128 12.815 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.193 36.197 13.414 1.00 10.50 O ATOM 0 H ASP A 46 27.182 36.634 10.282 1.00 6.79 H new ATOM 0 HA ASP A 46 25.422 36.583 12.643 1.00 6.49 H new ATOM 0 HB2 ASP A 46 28.006 38.056 11.950 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.239 38.086 13.525 1.00 7.84 H new ATOM 755 N ILE A 47 24.005 38.564 11.917 1.00 8.21 N ATOM 756 CA ILE A 47 23.241 39.816 11.628 1.00 8.33 C ATOM 757 C ILE A 47 23.725 40.968 12.513 1.00 10.92 C ATOM 758 O ILE A 47 23.297 42.094 12.357 1.00 9.40 O ATOM 759 CB ILE A 47 21.750 39.577 11.871 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.538 39.006 13.275 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.225 38.585 10.833 1.00 3.40 C ATOM 762 CD1 ILE A 47 20.070 39.163 13.676 1.00 7.93 C ATOM 0 H ILE A 47 23.450 37.792 12.287 1.00 8.21 H new ATOM 0 HA ILE A 47 23.407 40.087 10.585 1.00 8.33 H new ATOM 0 HB ILE A 47 21.212 40.521 11.784 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.821 37.954 13.297 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.178 39.523 13.990 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.162 38.411 11.001 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.372 38.993 9.833 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.766 37.643 10.924 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.920 38.756 14.676 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.802 40.220 13.671 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.440 38.625 12.968 1.00 7.93 H new ATOM 774 N THR A 48 24.609 40.710 13.439 1.00 13.41 N ATOM 775 CA THR A 48 25.101 41.812 14.317 1.00 16.67 C ATOM 776 C THR A 48 26.381 42.402 13.723 1.00 16.58 C ATOM 777 O THR A 48 26.828 43.462 14.114 1.00 18.03 O ATOM 778 CB THR A 48 25.388 41.269 15.721 1.00 15.80 C ATOM 779 OG1 THR A 48 25.863 42.323 16.546 1.00 21.06 O ATOM 780 CG2 THR A 48 26.443 40.165 15.646 1.00 21.72 C ATOM 0 H THR A 48 25.010 39.791 13.625 1.00 13.41 H new ATOM 0 HA THR A 48 24.339 42.588 14.383 1.00 16.67 H new ATOM 0 HB THR A 48 24.470 40.859 16.142 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.199 43.052 15.984 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.642 39.784 16.647 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.078 39.355 15.015 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.362 40.569 15.222 1.00 21.72 H new ATOM 788 N ALA A 49 26.971 41.727 12.775 1.00 15.36 N ATOM 789 CA ALA A 49 28.219 42.253 12.152 1.00 18.08 C ATOM 790 C ALA A 49 27.866 43.374 11.173 1.00 20.63 C ATOM 791 O ALA A 49 28.693 43.817 10.400 1.00 22.45 O ATOM 792 CB ALA A 49 28.930 41.126 11.402 1.00 18.76 C ATOM 0 H ALA A 49 26.643 40.835 12.405 1.00 15.36 H new ATOM 0 HA ALA A 49 28.877 42.642 12.929 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.842 41.511 10.947 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.182 40.327 12.099 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.273 40.735 10.625 1.00 18.76 H new ATOM 798 N THR A 50 26.644 43.834 11.196 1.00 22.30 N ATOM 799 CA THR A 50 26.238 44.925 10.260 1.00 25.27 C ATOM 800 C THR A 50 25.275 45.887 10.961 1.00 24.34 C ATOM 801 O THR A 50 24.992 46.958 10.466 1.00 25.49 O ATOM 802 CB THR A 50 25.548 44.315 9.037 1.00 22.85 C ATOM 803 OG1 THR A 50 25.250 45.341 8.102 1.00 23.28 O ATOM 804 CG2 THR A 50 24.252 43.623 9.467 1.00 25.63 C ATOM 0 H THR A 50 25.909 43.503 11.821 1.00 22.30 H new ATOM 0 HA THR A 50 27.125 45.475 9.946 1.00 25.27 H new ATOM 0 HB THR A 50 26.211 43.583 8.576 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.231 46.207 8.561 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.764 43.190 8.594 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.481 42.834 10.183 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.587 44.352 9.931 1.00 25.63 H new ATOM 812 N ASN A 51 24.770 45.511 12.107 1.00 0.00 N ATOM 813 CA ASN A 51 23.824 46.399 12.849 1.00 0.00 C ATOM 814 C ASN A 51 22.415 46.220 12.282 1.00 0.00 C ATOM 815 O ASN A 51 22.175 45.363 11.455 1.00 0.00 O ATOM 816 CB ASN A 51 24.258 47.867 12.716 1.00 0.00 C ATOM 817 CG ASN A 51 23.836 48.642 13.966 1.00 0.00 C ATOM 818 OD1 ASN A 51 24.134 48.167 15.144 1.00 0.00 O flip ATOM 819 ND2 ASN A 51 23.229 49.690 13.870 1.00 0.00 N flip ATOM 0 H ASN A 51 24.973 44.622 12.564 1.00 0.00 H new ATOM 0 HA ASN A 51 23.831 46.129 13.905 1.00 0.00 H new ATOM 0 HB2 ASN A 51 25.339 47.927 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.805 48.312 11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.996 50.062 12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.953 50.198 14.710 1.00 0.00 H new ATOM 826 N HIS A 52 21.482 47.023 12.716 1.00 0.00 N ATOM 827 CA HIS A 52 20.093 46.893 12.192 1.00 0.00 C ATOM 828 C HIS A 52 19.588 45.473 12.457 1.00 0.00 C ATOM 829 O HIS A 52 18.793 44.936 11.715 1.00 0.00 O ATOM 830 CB HIS A 52 20.088 47.176 10.683 1.00 0.00 C ATOM 831 CG HIS A 52 21.268 48.041 10.332 1.00 0.00 C ATOM 832 ND1 HIS A 52 21.651 49.287 10.762 1.00 0.00 N flip ATOM 833 CD2 HIS A 52 22.235 47.640 9.424 1.00 0.00 C flip ATOM 834 CE1 HIS A 52 22.836 49.656 10.133 1.00 0.00 C flip ATOM 835 NE2 HIS A 52 23.145 48.628 9.338 1.00 0.00 N flip ATOM 0 H HIS A 52 21.620 47.760 13.407 1.00 0.00 H new ATOM 0 HA HIS A 52 19.440 47.609 12.691 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.131 46.240 10.126 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.161 47.674 10.398 1.00 0.00 H new ATOM 0 HD2 HIS A 52 22.255 46.705 8.884 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.387 50.576 10.260 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.970 48.596 8.739 1.00 0.00 H new ATOM 843 N THR A 53 20.051 44.859 13.509 1.00 18.27 N ATOM 844 CA THR A 53 19.606 43.472 13.819 1.00 16.01 C ATOM 845 C THR A 53 18.086 43.362 13.656 1.00 16.57 C ATOM 846 O THR A 53 17.592 42.563 12.887 1.00 18.87 O ATOM 847 CB THR A 53 19.988 43.128 15.263 1.00 15.02 C ATOM 848 OG1 THR A 53 19.860 44.290 16.072 1.00 13.32 O ATOM 849 CG2 THR A 53 21.433 42.627 15.313 1.00 9.59 C ATOM 0 H THR A 53 20.719 45.258 14.168 1.00 18.27 H new ATOM 0 HA THR A 53 20.091 42.778 13.133 1.00 16.01 H new ATOM 0 HB THR A 53 19.326 42.346 15.635 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.102 44.073 16.997 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.699 42.384 16.342 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.531 41.736 14.693 1.00 9.59 H new ATOM 0 HG23 THR A 53 22.100 43.404 14.940 1.00 9.59 H new ATOM 857 N ASN A 54 17.344 44.150 14.384 1.00 13.94 N ATOM 858 CA ASN A 54 15.857 44.079 14.292 1.00 18.93 C ATOM 859 C ASN A 54 15.397 44.229 12.841 1.00 16.34 C ATOM 860 O ASN A 54 14.417 43.639 12.437 1.00 15.61 O ATOM 861 CB ASN A 54 15.241 45.195 15.139 1.00 24.12 C ATOM 862 CG ASN A 54 15.767 45.102 16.573 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.615 44.161 16.884 1.00 45.21 O flip ATOM 864 ND2 ASN A 54 15.402 45.895 17.419 1.00 37.58 N flip ATOM 0 H ASN A 54 17.704 44.842 15.041 1.00 13.94 H new ATOM 0 HA ASN A 54 15.531 43.107 14.662 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.488 46.167 14.713 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.154 45.112 15.134 1.00 24.12 H new ATOM 0 HD21 ASN A 54 14.739 46.631 17.176 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.759 45.824 18.372 1.00 37.58 H new ATOM 871 N GLU A 55 16.080 45.008 12.049 1.00 16.09 N ATOM 872 CA GLU A 55 15.642 45.170 10.633 1.00 15.04 C ATOM 873 C GLU A 55 15.744 43.826 9.909 1.00 15.56 C ATOM 874 O GLU A 55 14.839 43.424 9.205 1.00 18.95 O ATOM 875 CB GLU A 55 16.524 46.202 9.927 1.00 18.55 C ATOM 876 CG GLU A 55 16.107 47.608 10.361 1.00 23.55 C ATOM 877 CD GLU A 55 14.818 48.007 9.640 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.847 48.098 8.423 1.00 31.49 O ATOM 879 OE2 GLU A 55 13.824 48.215 10.316 1.00 33.02 O ATOM 0 H GLU A 55 16.912 45.534 12.315 1.00 16.09 H new ATOM 0 HA GLU A 55 14.608 45.515 10.616 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.572 46.030 10.172 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.428 46.100 8.846 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.956 47.636 11.440 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.899 48.320 10.131 1.00 23.55 H new ATOM 886 N ILE A 56 16.833 43.123 10.072 1.00 9.56 N ATOM 887 CA ILE A 56 16.967 41.808 9.384 1.00 8.91 C ATOM 888 C ILE A 56 15.959 40.820 9.973 1.00 7.70 C ATOM 889 O ILE A 56 15.188 40.217 9.255 1.00 9.84 O ATOM 890 CB ILE A 56 18.393 41.272 9.552 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.344 42.054 8.628 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.429 39.784 9.181 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.929 43.251 9.383 1.00 8.03 C ATOM 0 H ILE A 56 17.629 43.400 10.647 1.00 9.56 H new ATOM 0 HA ILE A 56 16.765 41.934 8.320 1.00 8.91 H new ATOM 0 HB ILE A 56 18.708 41.394 10.588 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.147 41.403 8.281 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.807 42.397 7.744 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.443 39.404 9.301 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.754 39.230 9.834 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.115 39.660 8.145 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.602 43.802 8.726 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.121 43.907 9.708 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.481 42.897 10.254 1.00 8.03 H new ATOM 905 N GLN A 57 15.940 40.651 11.270 1.00 7.49 N ATOM 906 CA GLN A 57 14.957 39.698 11.862 1.00 6.88 C ATOM 907 C GLN A 57 13.570 40.143 11.436 1.00 9.50 C ATOM 908 O GLN A 57 12.725 39.346 11.081 1.00 11.03 O ATOM 909 CB GLN A 57 15.040 39.726 13.389 1.00 11.02 C ATOM 910 CG GLN A 57 16.496 39.903 13.822 1.00 12.13 C ATOM 911 CD GLN A 57 16.761 39.089 15.091 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.355 38.031 15.036 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.340 39.543 16.240 1.00 17.84 N ATOM 0 H GLN A 57 16.552 41.124 11.935 1.00 7.49 H new ATOM 0 HA GLN A 57 15.171 38.685 11.520 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.432 40.541 13.781 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.637 38.801 13.802 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.164 39.579 13.024 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.705 40.957 14.004 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.841 40.432 16.285 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.510 39.009 17.092 1.00 17.84 H new ATOM 922 N ASP A 58 13.341 41.424 11.442 1.00 13.48 N ATOM 923 CA ASP A 58 12.021 41.936 11.009 1.00 13.94 C ATOM 924 C ASP A 58 11.770 41.401 9.606 1.00 13.32 C ATOM 925 O ASP A 58 10.656 41.106 9.223 1.00 14.28 O ATOM 926 CB ASP A 58 12.051 43.468 10.987 1.00 12.80 C ATOM 927 CG ASP A 58 11.829 44.008 12.402 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.109 43.284 13.343 1.00 18.84 O ATOM 929 OD2 ASP A 58 11.382 45.137 12.520 1.00 15.13 O ATOM 0 H ASP A 58 14.013 42.136 11.729 1.00 13.48 H new ATOM 0 HA ASP A 58 11.232 41.616 11.689 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.008 43.817 10.600 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.279 43.847 10.317 1.00 12.80 H new ATOM 934 N TYR A 59 12.819 41.251 8.846 1.00 12.69 N ATOM 935 CA TYR A 59 12.670 40.706 7.471 1.00 10.10 C ATOM 936 C TYR A 59 12.491 39.189 7.555 1.00 7.75 C ATOM 937 O TYR A 59 11.618 38.623 6.929 1.00 5.81 O ATOM 938 CB TYR A 59 13.911 41.031 6.639 1.00 12.40 C ATOM 939 CG TYR A 59 13.621 40.742 5.186 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.869 39.467 4.665 1.00 6.81 C ATOM 941 CD2 TYR A 59 13.103 41.747 4.361 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.600 39.196 3.318 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.833 41.476 3.014 1.00 8.47 C ATOM 944 CZ TYR A 59 13.082 40.201 2.492 1.00 9.37 C ATOM 945 OH TYR A 59 12.816 39.934 1.164 1.00 12.99 O ATOM 0 H TYR A 59 13.774 41.483 9.120 1.00 12.69 H new ATOM 0 HA TYR A 59 11.800 41.157 6.994 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.186 42.078 6.767 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.758 40.436 6.979 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.268 38.692 5.302 1.00 6.81 H new ATOM 0 HD2 TYR A 59 12.912 42.731 4.763 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.792 38.212 2.916 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.432 42.251 2.377 1.00 8.47 H new ATOM 0 HH TYR A 59 12.460 40.739 0.733 1.00 12.99 H new ATOM 955 N LEU A 60 13.305 38.525 8.336 1.00 10.71 N ATOM 956 CA LEU A 60 13.162 37.047 8.462 1.00 11.04 C ATOM 957 C LEU A 60 11.727 36.744 8.874 1.00 10.32 C ATOM 958 O LEU A 60 11.127 35.782 8.438 1.00 14.61 O ATOM 959 CB LEU A 60 14.122 36.514 9.531 1.00 7.24 C ATOM 960 CG LEU A 60 15.556 36.947 9.213 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.500 36.429 10.303 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.983 36.378 7.855 1.00 7.23 C ATOM 0 H LEU A 60 14.056 38.940 8.887 1.00 10.71 H new ATOM 0 HA LEU A 60 13.398 36.568 7.512 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.830 36.888 10.512 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.063 35.426 9.574 1.00 7.24 H new ATOM 0 HG LEU A 60 15.602 38.035 9.177 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.521 36.737 10.077 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.202 36.840 11.268 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.449 35.341 10.341 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.004 36.690 7.635 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.934 35.289 7.885 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.315 36.750 7.078 1.00 7.23 H new ATOM 974 N GLN A 61 11.173 37.578 9.702 1.00 10.78 N ATOM 975 CA GLN A 61 9.771 37.374 10.147 1.00 11.72 C ATOM 976 C GLN A 61 8.857 37.385 8.917 1.00 14.05 C ATOM 977 O GLN A 61 8.074 36.483 8.705 1.00 14.24 O ATOM 978 CB GLN A 61 9.399 38.516 11.102 1.00 17.47 C ATOM 979 CG GLN A 61 7.879 38.634 11.250 1.00 25.06 C ATOM 980 CD GLN A 61 7.326 37.375 11.916 1.00 31.26 C ATOM 981 OE1 GLN A 61 6.556 36.647 11.322 1.00 40.45 O ATOM 982 NE2 GLN A 61 7.683 37.089 13.138 1.00 30.05 N ATOM 0 H GLN A 61 11.635 38.399 10.093 1.00 10.78 H new ATOM 0 HA GLN A 61 9.658 36.420 10.662 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.851 38.340 12.078 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.806 39.455 10.727 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.629 39.512 11.846 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.418 38.772 10.272 1.00 25.06 H new ATOM 0 HE21 GLN A 61 8.330 37.700 13.637 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.316 36.254 13.595 1.00 30.05 H new ATOM 991 N GLN A 62 8.953 38.402 8.107 1.00 15.71 N ATOM 992 CA GLN A 62 8.091 38.477 6.892 1.00 18.54 C ATOM 993 C GLN A 62 8.486 37.381 5.893 1.00 19.36 C ATOM 994 O GLN A 62 7.642 36.725 5.316 1.00 19.52 O ATOM 995 CB GLN A 62 8.263 39.850 6.236 1.00 25.59 C ATOM 996 CG GLN A 62 7.201 40.039 5.150 1.00 34.08 C ATOM 997 CD GLN A 62 7.296 41.459 4.587 1.00 38.28 C ATOM 998 OE1 GLN A 62 6.599 42.349 5.031 1.00 41.81 O ATOM 999 NE2 GLN A 62 8.137 41.710 3.621 1.00 36.81 N ATOM 0 H GLN A 62 9.592 39.187 8.233 1.00 15.71 H new ATOM 0 HA GLN A 62 7.051 38.332 7.183 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.174 40.636 6.986 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.260 39.934 5.802 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.346 39.310 4.353 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.207 39.866 5.563 1.00 34.08 H new ATOM 0 HE21 GLN A 62 8.723 40.963 3.248 1.00 36.81 H new ATOM 0 HE22 GLN A 62 8.209 42.653 3.239 1.00 36.81 H new ATOM 1008 N LEU A 63 9.759 37.185 5.674 1.00 17.09 N ATOM 1009 CA LEU A 63 10.197 36.141 4.700 1.00 16.00 C ATOM 1010 C LEU A 63 9.781 34.755 5.192 1.00 11.34 C ATOM 1011 O LEU A 63 9.328 33.926 4.428 1.00 10.68 O ATOM 1012 CB LEU A 63 11.722 36.194 4.544 1.00 19.91 C ATOM 1013 CG LEU A 63 12.180 35.177 3.487 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.835 35.686 2.083 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.695 34.981 3.596 1.00 19.51 C ATOM 0 H LEU A 63 10.514 37.701 6.126 1.00 17.09 H new ATOM 0 HA LEU A 63 9.724 36.332 3.737 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.031 37.198 4.252 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.201 35.978 5.499 1.00 19.91 H new ATOM 0 HG LEU A 63 11.670 34.229 3.659 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.164 34.958 1.341 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.757 35.826 2.001 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.339 36.636 1.907 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.023 34.260 2.847 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.198 35.933 3.428 1.00 19.51 H new ATOM 0 HD23 LEU A 63 13.943 34.610 4.590 1.00 19.51 H new ATOM 1027 N THR A 64 9.941 34.496 6.459 1.00 10.04 N ATOM 1028 CA THR A 64 9.566 33.157 7.008 1.00 8.87 C ATOM 1029 C THR A 64 8.392 33.307 7.975 1.00 10.75 C ATOM 1030 O THR A 64 7.272 32.950 7.664 1.00 11.38 O ATOM 1031 CB THR A 64 10.767 32.558 7.749 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.846 33.114 9.053 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.051 32.874 6.984 1.00 6.96 C ATOM 0 H THR A 64 10.316 35.154 7.143 1.00 10.04 H new ATOM 0 HA THR A 64 9.275 32.498 6.190 1.00 8.87 H new ATOM 0 HB THR A 64 10.644 31.477 7.821 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.095 34.060 8.991 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.904 32.447 7.512 1.00 6.96 H new ATOM 0 HG22 THR A 64 11.993 32.446 5.983 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.174 33.955 6.910 1.00 6.96 H new ATOM 1041 N GLY A 65 8.636 33.826 9.147 1.00 10.19 N ATOM 1042 CA GLY A 65 7.532 33.992 10.132 1.00 13.28 C ATOM 1043 C GLY A 65 8.111 34.080 11.547 1.00 14.66 C ATOM 1044 O GLY A 65 7.643 34.837 12.372 1.00 14.79 O ATOM 0 H GLY A 65 9.552 34.142 9.464 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.962 34.893 9.905 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.841 33.152 10.063 1.00 13.28 H new ATOM 1048 N ALA A 66 9.121 33.305 11.837 1.00 12.02 N ATOM 1049 CA ALA A 66 9.727 33.337 13.201 1.00 9.85 C ATOM 1050 C ALA A 66 10.966 34.235 13.208 1.00 14.04 C ATOM 1051 O ALA A 66 11.818 34.146 12.347 1.00 17.81 O ATOM 1052 CB ALA A 66 10.126 31.919 13.610 1.00 13.74 C ATOM 0 H ALA A 66 9.554 32.649 11.187 1.00 12.02 H new ATOM 0 HA ALA A 66 8.997 33.735 13.906 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.569 31.939 14.606 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.243 31.281 13.618 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.851 31.525 12.898 1.00 13.74 H new ATOM 1058 N ARG A 67 11.070 35.091 14.186 1.00 15.81 N ATOM 1059 CA ARG A 67 12.246 35.994 14.283 1.00 16.07 C ATOM 1060 C ARG A 67 13.208 35.444 15.343 1.00 14.37 C ATOM 1061 O ARG A 67 14.016 36.160 15.899 1.00 14.43 O ATOM 1062 CB ARG A 67 11.763 37.387 14.689 1.00 15.97 C ATOM 1063 CG ARG A 67 10.817 37.284 15.900 1.00 17.12 C ATOM 1064 CD ARG A 67 11.353 38.141 17.048 1.00 22.31 C ATOM 1065 NE ARG A 67 11.530 39.544 16.582 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.665 40.505 17.453 1.00 23.98 C ATOM 1067 NH1 ARG A 67 11.638 40.234 18.729 1.00 29.76 N ATOM 1068 NH2 ARG A 67 11.823 41.736 17.049 1.00 21.50 N ATOM 0 H ARG A 67 10.381 35.203 14.930 1.00 15.81 H new ATOM 0 HA ARG A 67 12.762 36.054 13.325 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.616 38.019 14.936 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.247 37.860 13.853 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.817 37.616 15.622 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.730 36.245 16.219 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.662 38.111 17.891 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.304 37.741 17.401 1.00 22.31 H new ATOM 0 HE ARG A 67 11.546 39.753 15.584 1.00 23.80 H new ATOM 0 HH11 ARG A 67 11.512 39.272 19.043 1.00 29.76 H new ATOM 0 HH12 ARG A 67 11.743 40.984 19.412 1.00 29.76 H new ATOM 0 HH21 ARG A 67 11.841 41.947 16.051 1.00 21.50 H new ATOM 0 HH22 ARG A 67 11.928 42.487 17.731 1.00 21.50 H new ATOM 1082 N THR A 68 13.108 34.173 15.632 1.00 13.52 N ATOM 1083 CA THR A 68 13.990 33.554 16.666 1.00 14.97 C ATOM 1084 C THR A 68 15.383 33.277 16.082 1.00 12.85 C ATOM 1085 O THR A 68 15.608 33.404 14.896 1.00 10.80 O ATOM 1086 CB THR A 68 13.357 32.231 17.124 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.080 32.090 16.517 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.200 32.222 18.645 1.00 14.06 C ATOM 0 H THR A 68 12.448 33.532 15.192 1.00 13.52 H new ATOM 0 HA THR A 68 14.094 34.237 17.509 1.00 14.97 H new ATOM 0 HB THR A 68 14.002 31.403 16.829 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.672 31.246 16.805 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.750 31.280 18.959 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.179 32.331 19.112 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.559 33.049 18.949 1.00 14.06 H new ATOM 1096 N VAL A 69 16.315 32.892 16.918 1.00 8.20 N ATOM 1097 CA VAL A 69 17.701 32.594 16.441 1.00 5.92 C ATOM 1098 C VAL A 69 17.996 31.107 16.688 1.00 5.25 C ATOM 1099 O VAL A 69 17.658 30.600 17.734 1.00 5.78 O ATOM 1100 CB VAL A 69 18.699 33.430 17.251 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.096 33.317 16.642 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.260 34.895 17.256 1.00 4.08 C ATOM 0 H VAL A 69 16.173 32.770 17.921 1.00 8.20 H new ATOM 0 HA VAL A 69 17.789 32.829 15.380 1.00 5.92 H new ATOM 0 HB VAL A 69 18.725 33.055 18.274 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.797 33.915 17.225 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.414 32.274 16.651 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.076 33.681 15.615 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.972 35.486 17.833 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.224 35.268 16.232 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.271 34.977 17.707 1.00 4.08 H new ATOM 1112 N PRO A 70 18.630 30.438 15.750 1.00 5.33 N ATOM 1113 CA PRO A 70 19.066 31.005 14.455 1.00 6.04 C ATOM 1114 C PRO A 70 17.911 31.033 13.454 1.00 7.79 C ATOM 1115 O PRO A 70 16.764 30.800 13.783 1.00 7.15 O ATOM 1116 CB PRO A 70 20.129 30.009 13.959 1.00 3.22 C ATOM 1117 CG PRO A 70 19.955 28.707 14.785 1.00 6.88 C ATOM 1118 CD PRO A 70 18.989 29.023 15.940 1.00 6.17 C ATOM 0 HA PRO A 70 19.429 32.028 14.558 1.00 6.04 H new ATOM 0 HB2 PRO A 70 20.003 29.810 12.895 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.131 30.418 14.091 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.559 27.906 14.161 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.916 28.365 15.170 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.108 28.383 15.906 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.463 28.861 16.908 1.00 6.17 H new ATOM 1126 N ARG A 71 18.238 31.278 12.217 1.00 6.15 N ATOM 1127 CA ARG A 71 17.226 31.286 11.129 1.00 7.10 C ATOM 1128 C ARG A 71 17.901 30.634 9.922 1.00 4.23 C ATOM 1129 O ARG A 71 18.617 31.267 9.172 1.00 6.47 O ATOM 1130 CB ARG A 71 16.797 32.727 10.812 1.00 10.23 C ATOM 1131 CG ARG A 71 15.399 32.985 11.389 1.00 15.67 C ATOM 1132 CD ARG A 71 14.358 32.136 10.643 1.00 20.29 C ATOM 1133 NE ARG A 71 13.722 31.188 11.602 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.631 30.553 11.272 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.079 30.761 10.109 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.090 29.710 12.110 1.00 23.53 N ATOM 0 H ARG A 71 19.189 31.478 11.909 1.00 6.15 H new ATOM 0 HA ARG A 71 16.323 30.744 11.411 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.512 33.432 11.236 1.00 10.23 H new ATOM 0 HB3 ARG A 71 16.792 32.887 9.734 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.385 32.742 12.452 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.149 34.042 11.300 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.602 32.779 10.193 1.00 20.29 H new ATOM 0 HD3 ARG A 71 14.834 31.586 9.831 1.00 20.29 H new ATOM 0 HE ARG A 71 14.141 31.035 12.519 1.00 26.05 H new ATOM 0 HH11 ARG A 71 12.500 31.421 9.455 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.226 30.264 9.853 1.00 22.60 H new ATOM 0 HH21 ARG A 71 12.520 29.549 13.021 1.00 23.53 H new ATOM 0 HH22 ARG A 71 11.237 29.213 11.854 1.00 23.53 H new ATOM 1150 N VAL A 72 17.725 29.349 9.777 1.00 4.55 N ATOM 1151 CA VAL A 72 18.405 28.609 8.677 1.00 6.53 C ATOM 1152 C VAL A 72 17.621 28.697 7.368 1.00 8.68 C ATOM 1153 O VAL A 72 16.423 28.899 7.353 1.00 6.48 O ATOM 1154 CB VAL A 72 18.533 27.142 9.083 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.230 26.379 7.960 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.357 27.035 10.373 1.00 3.35 C ATOM 0 H VAL A 72 17.134 28.776 10.379 1.00 4.55 H new ATOM 0 HA VAL A 72 19.385 29.058 8.514 1.00 6.53 H new ATOM 0 HB VAL A 72 17.544 26.718 9.258 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.327 25.330 8.239 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.641 26.459 7.046 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.220 26.803 7.792 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.447 25.988 10.661 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.350 27.452 10.206 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.860 27.589 11.169 1.00 3.35 H new ATOM 1166 N PHE A 73 18.311 28.546 6.264 1.00 5.39 N ATOM 1167 CA PHE A 73 17.641 28.617 4.935 1.00 6.90 C ATOM 1168 C PHE A 73 18.260 27.608 3.964 1.00 7.16 C ATOM 1169 O PHE A 73 19.151 27.946 3.211 1.00 14.07 O ATOM 1170 CB PHE A 73 17.836 30.011 4.338 1.00 6.44 C ATOM 1171 CG PHE A 73 16.924 31.001 5.009 1.00 9.57 C ATOM 1172 CD1 PHE A 73 15.623 31.187 4.530 1.00 12.42 C ATOM 1173 CD2 PHE A 73 17.382 31.742 6.101 1.00 3.78 C ATOM 1174 CE1 PHE A 73 14.779 32.115 5.145 1.00 11.45 C ATOM 1175 CE2 PHE A 73 16.539 32.672 6.716 1.00 6.98 C ATOM 1176 CZ PHE A 73 15.237 32.859 6.239 1.00 7.54 C ATOM 0 H PHE A 73 19.316 28.376 6.230 1.00 5.39 H new ATOM 0 HA PHE A 73 16.583 28.396 5.078 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.873 30.323 4.458 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.632 29.987 3.267 1.00 6.44 H new ATOM 0 HD1 PHE A 73 15.271 30.614 3.685 1.00 12.42 H new ATOM 0 HD2 PHE A 73 18.387 31.596 6.470 1.00 3.78 H new ATOM 0 HE1 PHE A 73 13.774 32.258 4.777 1.00 11.45 H new ATOM 0 HE2 PHE A 73 16.893 33.246 7.559 1.00 6.98 H new ATOM 0 HZ PHE A 73 14.585 33.577 6.715 1.00 7.54 H new ATOM 1186 N ILE A 74 17.782 26.395 3.921 1.00 5.91 N ATOM 1187 CA ILE A 74 18.355 25.443 2.932 1.00 7.08 C ATOM 1188 C ILE A 74 17.867 25.914 1.563 1.00 8.52 C ATOM 1189 O ILE A 74 16.692 25.842 1.262 1.00 6.64 O ATOM 1190 CB ILE A 74 17.858 24.015 3.199 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.670 23.384 4.335 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.034 23.172 1.935 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.697 24.329 5.534 1.00 9.34 C ATOM 0 H ILE A 74 17.037 26.029 4.513 1.00 5.91 H new ATOM 0 HA ILE A 74 19.443 25.424 2.993 1.00 7.08 H new ATOM 0 HB ILE A 74 16.806 24.051 3.480 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.230 22.429 4.622 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.686 23.179 3.998 1.00 6.27 H new ATOM 0 HG21 ILE A 74 17.682 22.158 2.122 1.00 4.80 H new ATOM 0 HG22 ILE A 74 17.458 23.612 1.121 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.088 23.145 1.660 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.275 23.877 6.340 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.157 25.273 5.243 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.678 24.512 5.876 1.00 9.34 H new ATOM 1205 N GLY A 75 18.734 26.449 0.751 1.00 9.27 N ATOM 1206 CA GLY A 75 18.264 26.974 -0.557 1.00 9.68 C ATOM 1207 C GLY A 75 17.336 28.151 -0.253 1.00 12.42 C ATOM 1208 O GLY A 75 17.495 28.820 0.748 1.00 11.15 O ATOM 0 H GLY A 75 19.733 26.544 0.933 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.106 27.294 -1.170 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.738 26.201 -1.117 1.00 9.68 H new ATOM 1212 N LYS A 76 16.361 28.412 -1.075 1.00 14.40 N ATOM 1213 CA LYS A 76 15.440 29.545 -0.769 1.00 16.68 C ATOM 1214 C LYS A 76 14.320 29.048 0.151 1.00 16.27 C ATOM 1215 O LYS A 76 13.495 29.813 0.611 1.00 14.00 O ATOM 1216 CB LYS A 76 14.834 30.097 -2.064 1.00 23.46 C ATOM 1217 CG LYS A 76 15.943 30.693 -2.953 1.00 30.10 C ATOM 1218 CD LYS A 76 15.534 32.086 -3.451 1.00 38.66 C ATOM 1219 CE LYS A 76 14.354 31.970 -4.423 1.00 42.17 C ATOM 1220 NZ LYS A 76 14.855 31.562 -5.766 1.00 44.86 N ATOM 0 H LYS A 76 16.161 27.900 -1.934 1.00 14.40 H new ATOM 0 HA LYS A 76 15.999 30.340 -0.275 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.315 29.302 -2.600 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.093 30.862 -1.831 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.874 30.759 -2.390 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.130 30.036 -3.802 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.259 32.717 -2.606 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.378 32.566 -3.946 1.00 38.66 H new ATOM 0 HE2 LYS A 76 13.635 31.239 -4.054 1.00 42.17 H new ATOM 0 HE3 LYS A 76 13.831 32.924 -4.492 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 14.196 31.895 -6.498 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 15.793 31.981 -5.928 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 14.926 30.525 -5.810 1.00 44.86 H new ATOM 1234 N ASP A 77 14.282 27.769 0.417 1.00 0.00 N ATOM 1235 CA ASP A 77 13.213 27.215 1.300 1.00 0.00 C ATOM 1236 C ASP A 77 13.661 27.254 2.765 1.00 0.00 C ATOM 1237 O ASP A 77 14.607 26.598 3.150 1.00 0.00 O ATOM 1238 CB ASP A 77 12.926 25.768 0.897 1.00 0.00 C ATOM 1239 CG ASP A 77 12.915 25.653 -0.628 1.00 0.00 C ATOM 1240 OD1 ASP A 77 13.982 25.719 -1.215 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.839 25.501 -1.183 1.00 0.00 O ATOM 0 H ASP A 77 14.947 27.082 0.060 1.00 0.00 H new ATOM 0 HA ASP A 77 12.312 27.818 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.684 25.106 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.965 25.451 1.303 1.00 0.00 H new ATOM 1246 N SER A 78 12.981 28.008 3.586 1.00 0.00 N ATOM 1247 CA SER A 78 13.359 28.074 5.028 1.00 0.00 C ATOM 1248 C SER A 78 12.974 26.762 5.717 1.00 0.00 C ATOM 1249 O SER A 78 12.053 26.087 5.302 1.00 0.00 O ATOM 1250 CB SER A 78 12.624 29.235 5.698 1.00 0.00 C ATOM 1251 OG SER A 78 12.852 29.187 7.100 1.00 0.00 O ATOM 0 H SER A 78 12.180 28.581 3.321 1.00 0.00 H new ATOM 0 HA SER A 78 14.435 28.229 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.974 30.185 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.556 29.174 5.489 1.00 0.00 H new ATOM 0 HG SER A 78 12.384 29.931 7.533 1.00 0.00 H new ATOM 1257 N ILE A 79 13.665 26.396 6.769 1.00 14.84 N ATOM 1258 CA ILE A 79 13.328 25.126 7.484 1.00 16.24 C ATOM 1259 C ILE A 79 12.819 25.446 8.893 1.00 13.64 C ATOM 1260 O ILE A 79 12.113 24.663 9.497 1.00 15.36 O ATOM 1261 CB ILE A 79 14.572 24.236 7.590 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.733 25.019 8.231 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.982 23.760 6.194 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.577 24.076 9.098 1.00 20.45 C ATOM 0 H ILE A 79 14.446 26.921 7.163 1.00 14.84 H new ATOM 0 HA ILE A 79 12.554 24.602 6.923 1.00 16.24 H new ATOM 0 HB ILE A 79 14.339 23.374 8.216 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.353 25.468 7.455 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.342 25.835 8.839 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.866 23.127 6.270 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.166 23.190 5.749 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.206 24.623 5.567 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.397 24.634 9.550 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.954 23.648 9.883 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.981 23.275 8.478 1.00 20.45 H new ATOM 1276 N GLY A 80 13.175 26.588 9.423 1.00 12.42 N ATOM 1277 CA GLY A 80 12.709 26.958 10.794 1.00 13.73 C ATOM 1278 C GLY A 80 13.885 27.497 11.612 1.00 12.94 C ATOM 1279 O GLY A 80 14.796 28.104 11.084 1.00 13.82 O ATOM 0 H GLY A 80 13.768 27.281 8.966 1.00 12.42 H new ATOM 0 HA2 GLY A 80 11.923 27.710 10.730 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.278 26.088 11.289 1.00 13.73 H new ATOM 1283 N GLY A 81 13.865 27.286 12.903 1.00 12.24 N ATOM 1284 CA GLY A 81 14.973 27.787 13.770 1.00 10.24 C ATOM 1285 C GLY A 81 15.914 26.639 14.128 1.00 11.98 C ATOM 1286 O GLY A 81 16.103 25.714 13.364 1.00 12.42 O ATOM 0 H GLY A 81 13.125 26.786 13.396 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.524 28.572 13.253 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.564 28.230 14.678 1.00 10.24 H new ATOM 1290 N SER A 82 16.512 26.695 15.286 1.00 0.00 N ATOM 1291 CA SER A 82 17.448 25.611 15.693 1.00 0.00 C ATOM 1292 C SER A 82 16.658 24.336 15.985 1.00 0.00 C ATOM 1293 O SER A 82 16.879 23.306 15.383 1.00 0.00 O ATOM 1294 CB SER A 82 18.213 26.041 16.946 1.00 0.00 C ATOM 1295 OG SER A 82 18.471 24.901 17.755 1.00 0.00 O ATOM 0 H SER A 82 16.393 27.445 15.967 1.00 0.00 H new ATOM 0 HA SER A 82 18.155 25.420 14.886 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.150 26.522 16.666 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.633 26.775 17.506 1.00 0.00 H new ATOM 0 HG SER A 82 18.962 25.174 18.558 1.00 0.00 H new ATOM 1301 N SER A 83 15.739 24.400 16.903 1.00 0.00 N ATOM 1302 CA SER A 83 14.933 23.191 17.237 1.00 0.00 C ATOM 1303 C SER A 83 14.319 22.628 15.957 1.00 0.00 C ATOM 1304 O SER A 83 14.056 21.447 15.846 1.00 0.00 O ATOM 1305 CB SER A 83 13.822 23.570 18.217 1.00 0.00 C ATOM 1306 OG SER A 83 12.899 22.494 18.320 1.00 0.00 O ATOM 0 H SER A 83 15.509 25.237 17.439 1.00 0.00 H new ATOM 0 HA SER A 83 15.574 22.439 17.696 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.246 23.796 19.196 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.312 24.471 17.875 1.00 0.00 H new ATOM 0 HG SER A 83 12.186 22.733 18.949 1.00 0.00 H new ATOM 1312 N ASP A 84 14.099 23.465 14.987 1.00 12.98 N ATOM 1313 CA ASP A 84 13.517 22.983 13.704 1.00 14.53 C ATOM 1314 C ASP A 84 14.590 22.210 12.935 1.00 11.28 C ATOM 1315 O ASP A 84 14.350 21.138 12.415 1.00 12.09 O ATOM 1316 CB ASP A 84 13.052 24.180 12.871 1.00 17.72 C ATOM 1317 CG ASP A 84 12.084 25.032 13.694 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.471 25.461 14.769 1.00 27.06 O ATOM 1319 OD2 ASP A 84 10.973 25.242 13.235 1.00 21.94 O ATOM 0 H ASP A 84 14.297 24.465 15.025 1.00 12.98 H new ATOM 0 HA ASP A 84 12.665 22.334 13.904 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.910 24.779 12.565 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.564 23.834 11.960 1.00 17.72 H new ATOM 1324 N LEU A 85 15.774 22.753 12.864 1.00 11.34 N ATOM 1325 CA LEU A 85 16.879 22.068 12.135 1.00 11.04 C ATOM 1326 C LEU A 85 17.091 20.666 12.707 1.00 12.09 C ATOM 1327 O LEU A 85 16.978 19.674 12.014 1.00 11.43 O ATOM 1328 CB LEU A 85 18.173 22.873 12.301 1.00 9.45 C ATOM 1329 CG LEU A 85 19.215 22.413 11.269 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.421 23.358 11.297 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.681 20.986 11.595 1.00 15.31 C ATOM 0 H LEU A 85 16.025 23.648 13.283 1.00 11.34 H new ATOM 0 HA LEU A 85 16.617 21.994 11.080 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.968 23.936 12.174 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.566 22.742 13.309 1.00 9.45 H new ATOM 0 HG LEU A 85 18.762 22.427 10.278 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.158 23.029 10.564 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.096 24.370 11.056 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.868 23.348 12.291 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.419 20.667 10.859 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.128 20.967 12.589 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.827 20.309 11.569 1.00 15.31 H new ATOM 1343 N VAL A 86 17.426 20.581 13.964 1.00 0.00 N ATOM 1344 CA VAL A 86 17.685 19.246 14.580 1.00 0.00 C ATOM 1345 C VAL A 86 16.538 18.282 14.262 1.00 0.00 C ATOM 1346 O VAL A 86 16.763 17.165 13.850 1.00 0.00 O ATOM 1347 CB VAL A 86 17.837 19.387 16.106 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.323 19.368 16.479 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.222 20.709 16.573 1.00 0.00 C ATOM 0 H VAL A 86 17.532 21.377 14.593 1.00 0.00 H new ATOM 0 HA VAL A 86 18.610 18.846 14.164 1.00 0.00 H new ATOM 0 HB VAL A 86 17.324 18.556 16.590 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.428 19.468 17.559 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.767 18.426 16.157 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.832 20.196 15.987 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.334 20.801 17.653 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.731 21.540 16.084 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.163 20.729 16.315 1.00 0.00 H new ATOM 1359 N SER A 87 15.314 18.690 14.444 1.00 14.12 N ATOM 1360 CA SER A 87 14.182 17.766 14.146 1.00 14.37 C ATOM 1361 C SER A 87 14.371 17.159 12.753 1.00 13.29 C ATOM 1362 O SER A 87 14.213 15.971 12.555 1.00 11.18 O ATOM 1363 CB SER A 87 12.863 18.540 14.192 1.00 13.30 C ATOM 1364 OG SER A 87 12.484 18.743 15.547 1.00 21.79 O ATOM 0 H SER A 87 15.048 19.615 14.783 1.00 14.12 H new ATOM 0 HA SER A 87 14.160 16.969 14.889 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.973 19.499 13.686 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.086 17.988 13.664 1.00 13.30 H new ATOM 0 HG SER A 87 12.882 19.576 15.877 1.00 21.79 H new ATOM 1370 N LEU A 88 14.701 17.967 11.786 1.00 0.00 N ATOM 1371 CA LEU A 88 14.893 17.446 10.401 1.00 0.00 C ATOM 1372 C LEU A 88 16.167 16.600 10.318 1.00 0.00 C ATOM 1373 O LEU A 88 16.214 15.597 9.633 1.00 0.00 O ATOM 1374 CB LEU A 88 15.012 18.627 9.437 1.00 0.00 C ATOM 1375 CG LEU A 88 13.793 19.540 9.585 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.053 20.857 8.851 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.557 18.857 8.989 1.00 0.00 C ATOM 0 H LEU A 88 14.847 18.971 11.894 1.00 0.00 H new ATOM 0 HA LEU A 88 14.039 16.824 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.924 19.187 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.085 18.265 8.411 1.00 0.00 H new ATOM 0 HG LEU A 88 13.618 19.739 10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.186 21.509 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.928 21.346 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.231 20.656 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.692 19.511 9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.728 18.653 7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.371 17.920 9.514 1.00 0.00 H new ATOM 1389 N GLN A 89 17.206 17.006 10.992 1.00 0.00 N ATOM 1390 CA GLN A 89 18.483 16.243 10.936 1.00 0.00 C ATOM 1391 C GLN A 89 18.278 14.817 11.452 1.00 0.00 C ATOM 1392 O GLN A 89 18.532 13.855 10.755 1.00 0.00 O ATOM 1393 CB GLN A 89 19.523 16.950 11.802 1.00 0.00 C ATOM 1394 CG GLN A 89 20.915 16.408 11.479 1.00 0.00 C ATOM 1395 CD GLN A 89 21.381 16.951 10.126 1.00 0.00 C ATOM 1396 OE1 GLN A 89 22.055 17.960 10.063 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.050 16.319 9.032 1.00 0.00 N ATOM 0 H GLN A 89 17.225 17.838 11.582 1.00 0.00 H new ATOM 0 HA GLN A 89 18.824 16.195 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.490 18.025 11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.298 16.796 12.857 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.618 16.698 12.259 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.895 15.318 11.457 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.484 15.472 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.357 16.673 8.126 1.00 0.00 H new ATOM 1406 N GLN A 90 17.833 14.667 12.668 1.00 0.00 N ATOM 1407 CA GLN A 90 17.635 13.294 13.211 1.00 0.00 C ATOM 1408 C GLN A 90 16.590 12.565 12.371 1.00 0.00 C ATOM 1409 O GLN A 90 16.575 11.353 12.289 1.00 0.00 O ATOM 1410 CB GLN A 90 17.179 13.347 14.681 1.00 0.00 C ATOM 1411 CG GLN A 90 16.818 14.779 15.081 1.00 0.00 C ATOM 1412 CD GLN A 90 16.382 14.805 16.547 1.00 0.00 C ATOM 1413 OE1 GLN A 90 16.899 15.576 17.331 1.00 0.00 O ATOM 1414 NE2 GLN A 90 15.448 13.991 16.954 1.00 0.00 N ATOM 0 H GLN A 90 17.599 15.429 13.305 1.00 0.00 H new ATOM 0 HA GLN A 90 18.584 12.759 13.167 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.317 12.695 14.824 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.973 12.972 15.327 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.675 15.436 14.934 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.016 15.154 14.445 1.00 0.00 H new ATOM 0 HE21 GLN A 90 15.014 13.344 16.296 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.152 14.002 17.930 1.00 0.00 H new ATOM 1423 N SER A 91 15.718 13.298 11.747 1.00 0.00 N ATOM 1424 CA SER A 91 14.668 12.654 10.908 1.00 0.00 C ATOM 1425 C SER A 91 15.239 12.334 9.525 1.00 0.00 C ATOM 1426 O SER A 91 14.673 11.565 8.772 1.00 0.00 O ATOM 1427 CB SER A 91 13.481 13.604 10.765 1.00 0.00 C ATOM 1428 OG SER A 91 12.919 13.849 12.048 1.00 0.00 O ATOM 0 H SER A 91 15.684 14.317 11.779 1.00 0.00 H new ATOM 0 HA SER A 91 14.339 11.730 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.803 14.541 10.311 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.731 13.171 10.103 1.00 0.00 H new ATOM 0 HG SER A 91 12.979 14.805 12.254 1.00 0.00 H new ATOM 1434 N GLY A 92 16.358 12.911 9.187 1.00 19.34 N ATOM 1435 CA GLY A 92 16.970 12.636 7.855 1.00 19.37 C ATOM 1436 C GLY A 92 16.295 13.499 6.791 1.00 22.29 C ATOM 1437 O GLY A 92 16.718 13.544 5.654 1.00 25.64 O ATOM 0 H GLY A 92 16.877 13.562 9.776 1.00 19.34 H new ATOM 0 HA2 GLY A 92 18.039 12.848 7.884 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.861 11.581 7.605 1.00 19.37 H new ATOM 1441 N GLU A 93 15.247 14.188 7.150 1.00 22.54 N ATOM 1442 CA GLU A 93 14.550 15.046 6.157 1.00 24.53 C ATOM 1443 C GLU A 93 15.455 16.224 5.794 1.00 23.48 C ATOM 1444 O GLU A 93 15.385 16.772 4.712 1.00 22.85 O ATOM 1445 CB GLU A 93 13.249 15.573 6.764 1.00 27.50 C ATOM 1446 CG GLU A 93 12.529 16.441 5.733 1.00 36.43 C ATOM 1447 CD GLU A 93 11.115 16.762 6.224 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.265 15.893 6.125 1.00 50.26 O ATOM 1449 OE2 GLU A 93 10.908 17.871 6.688 1.00 42.86 O ATOM 0 H GLU A 93 14.845 14.193 8.087 1.00 22.54 H new ATOM 0 HA GLU A 93 14.323 14.465 5.263 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.612 14.742 7.066 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.462 16.154 7.661 1.00 27.50 H new ATOM 0 HG2 GLU A 93 13.085 17.364 5.569 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.483 15.922 4.776 1.00 36.43 H new ATOM 1456 N LEU A 94 16.306 16.617 6.699 1.00 24.17 N ATOM 1457 CA LEU A 94 17.226 17.758 6.427 1.00 22.19 C ATOM 1458 C LEU A 94 18.100 17.456 5.215 1.00 22.62 C ATOM 1459 O LEU A 94 18.040 18.128 4.206 1.00 21.76 O ATOM 1460 CB LEU A 94 18.129 17.969 7.634 1.00 23.15 C ATOM 1461 CG LEU A 94 18.939 19.263 7.460 1.00 23.80 C ATOM 1462 CD1 LEU A 94 18.013 20.486 7.527 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.993 19.348 8.569 1.00 21.18 C ATOM 0 H LEU A 94 16.405 16.195 7.622 1.00 24.17 H new ATOM 0 HA LEU A 94 16.632 18.651 6.232 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.529 18.024 8.543 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.803 17.120 7.748 1.00 23.15 H new ATOM 0 HG LEU A 94 19.428 19.252 6.486 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.601 21.395 7.402 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.269 20.423 6.733 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.510 20.509 8.494 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.572 20.264 8.452 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.499 19.353 9.541 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.659 18.488 8.505 1.00 21.18 H new ATOM 1475 N LEU A 95 18.925 16.454 5.318 1.00 0.00 N ATOM 1476 CA LEU A 95 19.825 16.115 4.184 1.00 0.00 C ATOM 1477 C LEU A 95 18.983 15.932 2.933 1.00 0.00 C ATOM 1478 O LEU A 95 19.413 16.203 1.830 1.00 0.00 O ATOM 1479 CB LEU A 95 20.596 14.827 4.523 1.00 0.00 C ATOM 1480 CG LEU A 95 19.835 13.573 4.053 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.250 13.215 2.619 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.167 12.398 4.979 1.00 0.00 C ATOM 0 H LEU A 95 19.015 15.855 6.139 1.00 0.00 H new ATOM 0 HA LEU A 95 20.546 16.914 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.579 14.855 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.760 14.772 5.599 1.00 0.00 H new ATOM 0 HG LEU A 95 18.764 13.776 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.707 12.327 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.016 14.047 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.321 13.017 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.629 11.510 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.239 12.204 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.869 12.643 5.999 1.00 0.00 H new ATOM 1494 N THR A 96 17.778 15.496 3.103 1.00 15.75 N ATOM 1495 CA THR A 96 16.892 15.319 1.924 1.00 17.89 C ATOM 1496 C THR A 96 16.661 16.691 1.295 1.00 14.96 C ATOM 1497 O THR A 96 16.717 16.853 0.095 1.00 17.84 O ATOM 1498 CB THR A 96 15.560 14.698 2.362 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.651 13.284 2.267 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.420 15.195 1.469 1.00 28.03 C ATOM 0 H THR A 96 17.364 15.253 4.003 1.00 15.75 H new ATOM 0 HA THR A 96 17.353 14.651 1.197 1.00 17.89 H new ATOM 0 HB THR A 96 15.353 14.991 3.391 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.802 12.882 2.548 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.482 14.745 1.793 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.347 16.280 1.543 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.619 14.914 0.435 1.00 28.03 H new ATOM 1508 N ARG A 97 16.418 17.685 2.109 1.00 12.39 N ATOM 1509 CA ARG A 97 16.196 19.056 1.574 1.00 13.82 C ATOM 1510 C ARG A 97 17.464 19.497 0.840 1.00 14.98 C ATOM 1511 O ARG A 97 17.415 20.162 -0.173 1.00 16.48 O ATOM 1512 CB ARG A 97 15.906 20.006 2.747 1.00 18.70 C ATOM 1513 CG ARG A 97 15.040 21.194 2.284 1.00 27.27 C ATOM 1514 CD ARG A 97 13.586 20.983 2.728 1.00 36.05 C ATOM 1515 NE ARG A 97 12.813 22.243 2.541 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.508 22.216 2.577 1.00 40.02 C ATOM 1517 NH1 ARG A 97 10.886 21.083 2.761 1.00 39.86 N ATOM 1518 NH2 ARG A 97 10.826 23.319 2.432 1.00 40.96 N ATOM 0 H ARG A 97 16.364 17.603 3.124 1.00 12.39 H new ATOM 0 HA ARG A 97 15.351 19.072 0.886 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.394 19.464 3.542 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.843 20.374 3.164 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.427 22.123 2.704 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.088 21.290 1.199 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.133 20.178 2.149 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.556 20.679 3.774 1.00 36.05 H new ATOM 0 HE ARG A 97 13.302 23.124 2.385 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.419 20.221 2.876 1.00 39.86 H new ATOM 0 HH12 ARG A 97 9.867 21.060 2.789 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.312 24.204 2.290 1.00 40.96 H new ATOM 0 HH22 ARG A 97 9.807 23.296 2.460 1.00 40.96 H new ATOM 1532 N LEU A 98 18.602 19.109 1.344 1.00 12.44 N ATOM 1533 CA LEU A 98 19.882 19.469 0.684 1.00 12.45 C ATOM 1534 C LEU A 98 20.025 18.663 -0.613 1.00 14.25 C ATOM 1535 O LEU A 98 20.529 19.142 -1.609 1.00 12.19 O ATOM 1536 CB LEU A 98 21.034 19.115 1.631 1.00 13.23 C ATOM 1537 CG LEU A 98 21.232 20.223 2.670 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.087 20.196 3.683 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.552 19.992 3.404 1.00 15.05 C ATOM 0 H LEU A 98 18.698 18.552 2.193 1.00 12.44 H new ATOM 0 HA LEU A 98 19.901 20.534 0.453 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.823 18.171 2.133 1.00 13.23 H new ATOM 0 HB3 LEU A 98 21.952 18.975 1.060 1.00 13.23 H new ATOM 0 HG LEU A 98 21.247 21.190 2.167 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.234 20.986 4.419 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.140 20.353 3.166 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.070 19.230 4.187 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.699 20.778 4.145 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.526 19.023 3.903 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.374 20.010 2.689 1.00 15.05 H new ATOM 1551 N LYS A 99 19.602 17.428 -0.587 1.00 0.00 N ATOM 1552 CA LYS A 99 19.722 16.547 -1.787 1.00 0.00 C ATOM 1553 C LYS A 99 18.877 17.062 -2.961 1.00 0.00 C ATOM 1554 O LYS A 99 19.382 17.273 -4.046 1.00 0.00 O ATOM 1555 CB LYS A 99 19.258 15.139 -1.412 1.00 0.00 C ATOM 1556 CG LYS A 99 19.545 14.179 -2.567 1.00 0.00 C ATOM 1557 CD LYS A 99 19.161 12.760 -2.147 1.00 0.00 C ATOM 1558 CE LYS A 99 19.182 11.839 -3.367 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.755 10.471 -2.958 1.00 0.00 N ATOM 0 H LYS A 99 19.172 16.985 0.225 1.00 0.00 H new ATOM 0 HA LYS A 99 20.765 16.542 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.772 14.804 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.191 15.145 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.980 14.475 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.601 14.219 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.855 12.394 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.169 12.760 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.517 12.224 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.184 11.807 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.768 9.841 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.407 10.106 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.792 10.510 -2.568 1.00 0.00 H new ATOM 1573 N GLN A 100 17.593 17.233 -2.775 1.00 18.17 N ATOM 1574 CA GLN A 100 16.737 17.693 -3.909 1.00 18.02 C ATOM 1575 C GLN A 100 17.395 18.878 -4.624 1.00 18.05 C ATOM 1576 O GLN A 100 17.177 19.092 -5.800 1.00 19.19 O ATOM 1577 CB GLN A 100 15.348 18.104 -3.396 1.00 20.45 C ATOM 1578 CG GLN A 100 15.449 18.625 -1.960 1.00 29.25 C ATOM 1579 CD GLN A 100 14.301 19.598 -1.680 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.375 20.761 -2.023 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.234 19.166 -1.064 1.00 38.64 N ATOM 0 H GLN A 100 17.104 17.075 -1.894 1.00 18.17 H new ATOM 0 HA GLN A 100 16.626 16.869 -4.614 1.00 18.02 H new ATOM 0 HB2 GLN A 100 14.927 18.875 -4.042 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.671 17.251 -3.435 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.412 17.792 -1.258 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.406 19.125 -1.811 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.172 18.190 -0.776 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.463 19.805 -0.871 1.00 38.64 H new ATOM 1590 N ILE A 101 18.195 19.649 -3.936 1.00 0.00 N ATOM 1591 CA ILE A 101 18.855 20.813 -4.598 1.00 0.00 C ATOM 1592 C ILE A 101 20.333 20.501 -4.837 1.00 0.00 C ATOM 1593 O ILE A 101 20.989 21.132 -5.643 1.00 0.00 O ATOM 1594 CB ILE A 101 18.718 22.048 -3.710 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.333 21.771 -2.336 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.237 22.392 -3.544 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.098 22.977 -1.421 1.00 0.00 C ATOM 0 H ILE A 101 18.419 19.524 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 101 18.375 21.006 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 101 19.240 22.885 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.888 20.877 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.401 21.579 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.137 23.273 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 101 16.799 22.596 -4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.718 21.552 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.535 22.782 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.564 23.861 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.027 23.148 -1.312 1.00 0.00 H new ATOM 1609 N GLY A 102 20.858 19.521 -4.157 1.00 11.15 N ATOM 1610 CA GLY A 102 22.291 19.155 -4.357 1.00 12.21 C ATOM 1611 C GLY A 102 23.194 20.099 -3.563 1.00 14.73 C ATOM 1612 O GLY A 102 24.244 20.499 -4.022 1.00 18.54 O ATOM 0 H GLY A 102 20.358 18.956 -3.470 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.459 18.126 -4.038 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.542 19.206 -5.416 1.00 12.21 H new ATOM 1616 N ALA A 103 22.797 20.457 -2.376 1.00 10.84 N ATOM 1617 CA ALA A 103 23.641 21.375 -1.558 1.00 9.88 C ATOM 1618 C ALA A 103 24.714 20.568 -0.821 1.00 9.21 C ATOM 1619 O ALA A 103 25.628 21.119 -0.239 1.00 7.47 O ATOM 1620 CB ALA A 103 22.764 22.100 -0.536 1.00 4.30 C ATOM 0 H ALA A 103 21.928 20.156 -1.936 1.00 10.84 H new ATOM 0 HA ALA A 103 24.119 22.103 -2.213 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.381 22.771 0.062 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.000 22.677 -1.057 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.285 21.369 0.116 1.00 4.30 H new ATOM 1626 N LEU A 104 24.608 19.269 -0.841 1.00 0.00 N ATOM 1627 CA LEU A 104 25.618 18.421 -0.140 1.00 0.00 C ATOM 1628 C LEU A 104 26.697 17.970 -1.127 1.00 0.00 C ATOM 1629 O LEU A 104 26.693 18.340 -2.284 1.00 0.00 O ATOM 1630 CB LEU A 104 24.923 17.194 0.469 1.00 0.00 C ATOM 1631 CG LEU A 104 24.624 16.145 -0.612 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.885 14.964 0.019 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.746 16.759 -1.706 1.00 0.00 C ATOM 0 H LEU A 104 23.864 18.755 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 104 26.087 19.002 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.557 16.757 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 104 23.995 17.499 0.953 1.00 0.00 H new ATOM 0 HG LEU A 104 25.563 15.805 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.671 14.218 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.506 14.519 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.950 15.312 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.538 16.009 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.808 17.102 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.266 17.603 -2.159 1.00 0.00 H new ATOM 1645 N GLN A 105 27.621 17.168 -0.672 1.00 0.00 N ATOM 1646 CA GLN A 105 28.706 16.683 -1.569 1.00 0.00 C ATOM 1647 C GLN A 105 28.190 15.514 -2.414 1.00 0.00 C ATOM 1648 O GLN A 105 27.883 15.737 -3.573 1.00 0.00 O ATOM 1649 CB GLN A 105 29.891 16.217 -0.719 1.00 0.00 C ATOM 1650 CG GLN A 105 30.715 17.429 -0.277 1.00 0.00 C ATOM 1651 CD GLN A 105 31.599 17.896 -1.435 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.529 17.361 -2.523 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.435 18.881 -1.245 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.112 14.417 -1.886 1.00 0.00 O ATOM 0 H GLN A 105 27.670 16.827 0.288 1.00 0.00 H new ATOM 0 HA GLN A 105 29.023 17.491 -2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.533 15.670 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.514 15.530 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.054 18.236 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.332 17.168 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.494 19.331 -0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.029 19.201 -2.010 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.856 27.137 19.697 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.508 28.354 18.911 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.193 27.953 17.468 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.554 26.851 17.088 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.596 28.754 16.768 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.694 29.326 18.927 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.940 29.828 20.358 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.198 31.337 20.348 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.703 31.884 19.390 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.880 32.006 21.422 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.178 33.464 21.511 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.455 34.216 20.386 1.00 0.00 C HETATM 1676 O2 GSH A 106 15.723 34.007 19.220 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.694 33.682 21.390 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.562 32.140 21.778 1.00 0.00 S HETATM 1679 N3 GSH A 106 14.734 35.246 20.734 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.212 36.181 19.698 1.00 0.00 C HETATM 1681 C3 GSH A 106 13.751 37.473 20.372 1.00 0.00 C HETATM 1682 O31 GSH A 106 13.559 38.450 19.667 1.00 0.00 O HETATM 1683 O32 GSH A 106 13.724 37.500 21.592 1.00 0.00 O HETATM 0 HN12 GSH A 106 15.095 27.219 20.685 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.855 26.222 19.247 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.077 29.603 20.984 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.794 29.308 20.793 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.945 34.009 20.381 1.00 0.00 H new HETATM 0 HB22 GSH A 106 18.013 34.472 22.070 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.587 28.830 18.548 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.493 30.169 18.266 1.00 0.00 H new HETATM 0 HA32 GSH A 106 14.987 36.397 18.963 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.382 35.721 19.161 1.00 0.00 H new HETATM 0 HN3 GSH A 106 14.527 35.412 21.719 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.427 31.531 22.202 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.830 33.845 22.471 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.636 28.838 19.352 1.00 0.00 H new