USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 31:sc= 0.297 USER MOD Set 1.2: A 106 THR OG1 : rot 77:sc= 1.35 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.48 K(o=2.6,f=-2.1) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 179:sc= 1.13 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -41:sc= 0.521 USER MOD Set 3.2: A 62 CYS SG : rot 115:sc= 0.814 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot -31:sc= 0.311 USER MOD Single : A 7 GLN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.889 K(o=-0.89,f=-4.6!) USER MOD Single : A 14 GLN : amide:sc= 0.0486 X(o=0.049,f=-0.039) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 2.32 (180deg=1.91) USER MOD Single : A 17 GLN : amide:sc=-0.00192 X(o=-0.0019,f=-0.006) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc=-0.00226 (180deg=-0.148) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.01) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.03 (180deg=1.03) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.884) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.574 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.09) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.14) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -106:sc= 0.0107 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.766 (180deg=0.414) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.33) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.7!) USER MOD Single : A 111 LYS NZ :NH3+ -151:sc= 1.12 (180deg=0.341) USER MOD Single : A 112 SER OG : rot -30:sc= 0.159 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.07 F(o=-2.3!,f=-1.1) USER MOD Single : A 114 SER OG : rot 103:sc= 1.28 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 120 HIS : no HE2:sc= 1.03 K(o=1,f=-4.4!) USER MOD Single : A 121 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=0.0084) USER MOD Single : A 122 HIS : no HE2:sc= 0.29 K(o=0.29,f=-3.2!) USER MOD Single : A 123 HIS : no HE2:sc= -0.0832 K(o=-0.083,f=-1.9) USER MOD Single : A 124 HIS :FLIP no HE2:sc= 0.0953 F(o=-1.1,f=0.095) USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.0767 F(o=-0.59,f=-0.077) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 -0.099 0.794 0.952 1.00 25.00 C HETATM 2 O1 MYR A 1 -1.264 1.122 0.987 1.00 25.00 O HETATM 3 C2 MYR A 1 0.467 -0.050 -0.163 1.00 25.00 C HETATM 4 C3 MYR A 1 0.213 -1.577 0.067 1.00 25.00 C HETATM 5 C4 MYR A 1 0.899 -2.099 1.368 1.00 25.00 C HETATM 6 C5 MYR A 1 0.994 -3.654 1.417 1.00 25.00 C HETATM 7 C6 MYR A 1 1.156 -4.185 2.875 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.204 -4.283 3.627 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.019 -4.626 5.131 1.00 25.00 C HETATM 10 C9 MYR A 1 -1.397 -4.852 5.810 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.281 -5.092 7.341 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.664 -5.003 8.066 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.520 -6.298 7.935 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.727 -6.331 8.930 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.908 -5.436 8.487 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.572 -4.402 8.412 1.00 25.00 H new HETATM 0 H142 MYR A 1 -6.274 -5.770 7.516 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.711 -5.504 9.220 1.00 25.00 H new HETATM 0 H132 MYR A 1 -5.077 -7.358 9.032 1.00 25.00 H new HETATM 0 H131 MYR A 1 -4.386 -6.011 9.915 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.894 -6.379 6.914 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.886 -7.167 8.112 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.498 -4.792 9.122 1.00 25.00 H new HETATM 0 H111 MYR A 1 -3.226 -4.163 7.658 1.00 25.00 H new HETATM 0 H102 MYR A 1 -0.843 -6.074 7.520 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.601 -4.357 7.771 1.00 25.00 H new HETATM 0 H92 MYR A 1 -2.032 -3.985 5.630 1.00 25.00 H new HETATM 0 H91 MYR A 1 -1.888 -5.709 5.349 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.595 -5.521 5.233 1.00 25.00 H new HETATM 0 H81 MYR A 1 0.512 -3.817 5.632 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.737 -3.337 3.535 1.00 25.00 H new HETATM 0 H71 MYR A 1 -0.824 -5.046 3.156 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.626 -5.168 2.850 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.826 -3.525 3.426 1.00 25.00 H new HETATM 0 H52 MYR A 1 0.098 -4.086 0.972 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.840 -3.984 0.815 1.00 25.00 H new HETATM 0 H42 MYR A 1 1.901 -1.676 1.440 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.340 -1.746 2.235 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.860 -1.760 0.125 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.586 -2.139 -0.789 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.019 0.253 -1.109 1.00 25.00 H new HETATM 0 H21 MYR A 1 1.539 0.130 -0.245 1.00 25.00 H new ATOM 43 N GLY A 2 0.773 1.154 1.920 1.00 25.00 N ATOM 44 CA GLY A 2 0.403 1.892 3.122 1.00 25.00 C ATOM 45 C GLY A 2 -0.172 3.246 2.779 1.00 25.00 C ATOM 46 O GLY A 2 -1.162 3.685 3.368 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.327 1.319 3.693 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.279 2.017 3.759 1.00 25.00 H new ATOM 50 N GLN A 3 0.428 3.903 1.799 1.00 25.00 N ATOM 51 CA GLN A 3 -0.043 5.215 1.370 1.00 25.00 C ATOM 52 C GLN A 3 -1.438 5.109 0.749 1.00 25.00 C ATOM 53 O GLN A 3 -2.300 5.942 1.004 1.00 25.00 O ATOM 54 CB GLN A 3 0.943 5.823 0.367 1.00 25.00 C ATOM 55 CG GLN A 3 2.317 6.109 0.975 1.00 25.00 C ATOM 56 CD GLN A 3 3.284 6.704 -0.024 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.399 7.921 -0.145 1.00 25.00 O ATOM 58 NE2 GLN A 3 3.997 5.863 -0.719 1.00 25.00 N ATOM 0 H GLN A 3 1.238 3.554 1.287 1.00 25.00 H new ATOM 0 HA GLN A 3 -0.106 5.866 2.242 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.060 5.143 -0.476 1.00 25.00 H new ATOM 0 HB3 GLN A 3 0.526 6.750 -0.027 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.203 6.793 1.816 1.00 25.00 H new ATOM 0 HG3 GLN A 3 2.734 5.183 1.372 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.872 4.859 -0.589 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.680 6.209 -1.393 1.00 25.00 H new ATOM 67 N GLU A 4 -1.665 4.060 -0.028 1.00 25.00 N ATOM 68 CA GLU A 4 -2.958 3.836 -0.671 1.00 25.00 C ATOM 69 C GLU A 4 -4.025 3.429 0.350 1.00 25.00 C ATOM 70 O GLU A 4 -5.174 3.871 0.285 1.00 25.00 O ATOM 71 CB GLU A 4 -2.801 2.751 -1.744 1.00 25.00 C ATOM 72 CG GLU A 4 -4.091 2.304 -2.419 1.00 25.00 C ATOM 73 CD GLU A 4 -4.678 3.337 -3.382 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.843 4.515 -2.998 1.00 25.00 O ATOM 75 OE2 GLU A 4 -5.168 2.915 -4.453 1.00 25.00 O ATOM 0 H GLU A 4 -0.967 3.344 -0.231 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.288 4.766 -1.133 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.119 3.119 -2.511 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.329 1.880 -1.289 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.902 1.379 -2.965 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.831 2.076 -1.652 1.00 25.00 H new ATOM 82 N LEU A 5 -3.644 2.623 1.326 1.00 25.00 N ATOM 83 CA LEU A 5 -4.571 2.216 2.381 1.00 25.00 C ATOM 84 C LEU A 5 -5.052 3.450 3.149 1.00 25.00 C ATOM 85 O LEU A 5 -6.241 3.585 3.422 1.00 25.00 O ATOM 86 CB LEU A 5 -3.898 1.213 3.328 1.00 25.00 C ATOM 87 CG LEU A 5 -3.698 -0.216 2.778 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.830 -1.019 3.734 1.00 25.00 C ATOM 89 CD2 LEU A 5 -5.016 -0.946 2.560 1.00 25.00 C ATOM 0 H LEU A 5 -2.704 2.236 1.415 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.433 1.726 1.929 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.923 1.610 3.611 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.493 1.149 4.239 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.209 -0.121 1.808 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.692 -2.026 3.341 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.859 -0.534 3.839 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.316 -1.073 4.708 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.819 -1.946 2.173 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.550 -1.023 3.507 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.624 -0.393 1.844 1.00 25.00 H new ATOM 101 N SER A 6 -4.147 4.381 3.426 1.00 25.00 N ATOM 102 CA SER A 6 -4.513 5.654 4.057 1.00 25.00 C ATOM 103 C SER A 6 -5.281 6.617 3.140 1.00 25.00 C ATOM 104 O SER A 6 -5.745 7.657 3.601 1.00 25.00 O ATOM 105 CB SER A 6 -3.254 6.379 4.542 1.00 25.00 C ATOM 106 OG SER A 6 -3.592 7.427 5.439 1.00 25.00 O ATOM 0 H SER A 6 -3.152 4.283 3.225 1.00 25.00 H new ATOM 0 HA SER A 6 -5.175 5.384 4.880 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.588 5.671 5.036 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.711 6.785 3.689 1.00 25.00 H new ATOM 0 HG SER A 6 -4.472 7.788 5.203 1.00 25.00 H new ATOM 112 N GLN A 7 -5.382 6.304 1.855 1.00 25.00 N ATOM 113 CA GLN A 7 -6.068 7.173 0.893 1.00 25.00 C ATOM 114 C GLN A 7 -7.484 6.646 0.673 1.00 25.00 C ATOM 115 O GLN A 7 -8.403 7.374 0.298 1.00 25.00 O ATOM 116 CB GLN A 7 -5.283 7.189 -0.429 1.00 25.00 C ATOM 117 CG GLN A 7 -5.791 8.199 -1.451 1.00 25.00 C ATOM 118 CD GLN A 7 -4.814 8.421 -2.593 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.444 9.549 -2.884 1.00 25.00 O ATOM 120 NE2 GLN A 7 -4.394 7.364 -3.237 1.00 25.00 N ATOM 0 H GLN A 7 -4.997 5.452 1.448 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.124 8.192 1.275 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.236 7.404 -0.213 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.319 6.193 -0.871 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.743 7.854 -1.855 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.982 9.149 -0.952 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.724 6.438 -2.967 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.736 7.466 -4.010 1.00 25.00 H new ATOM 129 N HIS A 8 -7.661 5.361 0.927 1.00 25.00 N ATOM 130 CA HIS A 8 -8.958 4.718 0.766 1.00 25.00 C ATOM 131 C HIS A 8 -9.781 4.909 2.029 1.00 25.00 C ATOM 132 O HIS A 8 -9.714 4.087 2.923 1.00 25.00 O ATOM 133 CB HIS A 8 -8.767 3.220 0.506 1.00 25.00 C ATOM 134 CG HIS A 8 -8.355 2.897 -0.898 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.644 1.683 -1.529 1.00 25.00 N ATOM 136 CD2 HIS A 8 -7.660 3.605 -1.825 1.00 25.00 C ATOM 137 CE1 HIS A 8 -8.132 1.705 -2.753 1.00 25.00 C ATOM 138 NE2 HIS A 8 -7.543 2.850 -2.948 1.00 25.00 N ATOM 0 H HIS A 8 -6.920 4.738 1.247 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.477 5.168 -0.080 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -8.014 2.835 1.193 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.699 2.700 0.730 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -7.266 4.602 -1.692 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -8.194 0.902 -3.472 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -7.070 3.134 -3.806 1.00 25.00 H new ATOM 146 N GLU A 9 -10.593 5.956 2.092 1.00 25.00 N ATOM 147 CA GLU A 9 -11.407 6.236 3.291 1.00 25.00 C ATOM 148 C GLU A 9 -12.277 5.061 3.756 1.00 25.00 C ATOM 149 O GLU A 9 -12.489 4.893 4.943 1.00 25.00 O ATOM 150 CB GLU A 9 -12.292 7.466 3.071 1.00 25.00 C ATOM 151 CG GLU A 9 -11.624 8.782 3.482 1.00 25.00 C ATOM 152 CD GLU A 9 -11.292 8.837 4.978 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.200 8.630 5.815 1.00 25.00 O ATOM 154 OE2 GLU A 9 -10.117 9.076 5.317 1.00 25.00 O ATOM 0 H GLU A 9 -10.713 6.629 1.335 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.684 6.421 4.086 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.568 7.521 2.018 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -13.216 7.345 3.637 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.708 8.915 2.906 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -12.283 9.613 3.230 1.00 25.00 H new ATOM 161 N ARG A 10 -12.692 4.190 2.840 1.00 25.00 N ATOM 162 CA ARG A 10 -13.445 2.976 3.215 1.00 25.00 C ATOM 163 C ARG A 10 -12.655 2.108 4.202 1.00 25.00 C ATOM 164 O ARG A 10 -13.230 1.438 5.049 1.00 25.00 O ATOM 165 CB ARG A 10 -13.758 2.135 1.970 1.00 25.00 C ATOM 166 CG ARG A 10 -14.743 2.786 0.995 1.00 25.00 C ATOM 167 CD ARG A 10 -14.871 1.961 -0.294 1.00 25.00 C ATOM 168 NE ARG A 10 -15.460 0.630 -0.056 1.00 25.00 N ATOM 169 CZ ARG A 10 -15.564 -0.338 -0.963 1.00 25.00 C ATOM 170 NH1 ARG A 10 -15.146 -0.190 -2.198 1.00 25.00 N ATOM 171 NH2 ARG A 10 -16.099 -1.477 -0.623 1.00 25.00 N ATOM 0 H ARG A 10 -12.526 4.292 1.839 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.369 3.305 3.690 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.827 1.929 1.442 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.163 1.174 2.288 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.720 2.880 1.469 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.407 3.795 0.753 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.487 2.505 -1.010 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.886 1.843 -0.746 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.817 0.436 0.880 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -14.724 0.691 -2.491 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -15.243 -0.956 -2.865 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -16.433 -1.619 0.330 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -16.184 -2.226 -1.310 1.00 25.00 H new ATOM 185 N TYR A 11 -11.340 2.126 4.065 1.00 25.00 N ATOM 186 CA TYR A 11 -10.437 1.377 4.929 1.00 25.00 C ATOM 187 C TYR A 11 -10.080 2.211 6.153 1.00 25.00 C ATOM 188 O TYR A 11 -10.029 1.709 7.277 1.00 25.00 O ATOM 189 CB TYR A 11 -9.165 1.059 4.142 1.00 25.00 C ATOM 190 CG TYR A 11 -8.180 0.193 4.876 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.435 -1.172 5.061 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.974 0.725 5.374 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.505 -2.001 5.710 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.027 -0.112 6.029 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.302 -1.473 6.178 1.00 25.00 C ATOM 196 OH TYR A 11 -5.391 -2.298 6.784 1.00 25.00 O ATOM 0 H TYR A 11 -10.862 2.666 3.344 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.919 0.456 5.257 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.443 0.564 3.211 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.676 1.995 3.872 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.361 -1.594 4.699 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.766 1.778 5.258 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.722 -3.050 5.847 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.104 0.302 6.407 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.462 -3.199 6.404 1.00 25.00 H new ATOM 206 N VAL A 12 -9.851 3.498 5.925 1.00 25.00 N ATOM 207 CA VAL A 12 -9.486 4.420 6.998 1.00 25.00 C ATOM 208 C VAL A 12 -10.585 4.438 8.061 1.00 25.00 C ATOM 209 O VAL A 12 -10.277 4.475 9.232 1.00 25.00 O ATOM 210 CB VAL A 12 -9.222 5.866 6.457 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.752 6.815 7.570 1.00 25.00 C ATOM 212 CG2 VAL A 12 -8.136 5.848 5.374 1.00 25.00 C ATOM 0 H VAL A 12 -9.911 3.930 5.003 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.557 4.067 7.445 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.169 6.221 6.050 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.580 7.807 7.153 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.517 6.874 8.345 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.826 6.438 8.003 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.967 6.862 5.011 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.210 5.454 5.793 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.458 5.215 4.547 1.00 25.00 H new ATOM 222 N GLU A 13 -11.851 4.342 7.673 1.00 25.00 N ATOM 223 CA GLU A 13 -12.957 4.316 8.646 1.00 25.00 C ATOM 224 C GLU A 13 -12.794 3.214 9.698 1.00 25.00 C ATOM 225 O GLU A 13 -12.855 3.480 10.902 1.00 25.00 O ATOM 226 CB GLU A 13 -14.298 4.131 7.925 1.00 25.00 C ATOM 227 CG GLU A 13 -14.821 5.398 7.251 1.00 25.00 C ATOM 228 CD GLU A 13 -15.569 6.306 8.218 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.934 6.817 9.172 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.770 6.545 8.008 1.00 25.00 O ATOM 0 H GLU A 13 -12.145 4.281 6.698 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.937 5.275 9.164 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.190 3.350 7.173 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -15.040 3.781 8.643 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.985 5.946 6.816 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.483 5.122 6.430 1.00 25.00 H new ATOM 237 N GLN A 14 -12.532 1.990 9.258 1.00 25.00 N ATOM 238 CA GLN A 14 -12.320 0.882 10.195 1.00 25.00 C ATOM 239 C GLN A 14 -11.067 1.155 11.017 1.00 25.00 C ATOM 240 O GLN A 14 -11.005 0.903 12.223 1.00 25.00 O ATOM 241 CB GLN A 14 -12.131 -0.442 9.440 1.00 25.00 C ATOM 242 CG GLN A 14 -13.315 -0.861 8.571 1.00 25.00 C ATOM 243 CD GLN A 14 -14.608 -0.982 9.350 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.586 -0.330 9.037 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.621 -1.822 10.352 1.00 25.00 N ATOM 0 H GLN A 14 -12.461 1.736 8.273 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.195 0.803 10.840 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.246 -0.360 8.808 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.933 -1.232 10.165 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.446 -0.133 7.770 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.091 -1.817 8.099 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.781 -2.351 10.585 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.471 -1.948 10.901 1.00 25.00 H new ATOM 254 N LEU A 15 -10.051 1.675 10.348 1.00 25.00 N ATOM 255 CA LEU A 15 -8.761 1.930 10.975 1.00 25.00 C ATOM 256 C LEU A 15 -8.805 3.071 11.990 1.00 25.00 C ATOM 257 O LEU A 15 -7.976 3.108 12.892 1.00 25.00 O ATOM 258 CB LEU A 15 -7.699 2.200 9.903 1.00 25.00 C ATOM 259 CG LEU A 15 -6.947 0.996 9.294 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.706 0.687 10.125 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.790 -0.282 9.159 1.00 25.00 C ATOM 0 H LEU A 15 -10.094 1.931 9.362 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.495 1.032 11.533 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.181 2.738 9.087 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.956 2.872 10.333 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.683 1.299 8.281 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.180 -0.163 9.691 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.048 1.556 10.133 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.002 0.447 11.146 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -7.182 -1.075 8.723 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -8.140 -0.593 10.143 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.647 -0.086 8.515 1.00 25.00 H new ATOM 273 N LYS A 16 -9.762 3.986 11.875 1.00 25.00 N ATOM 274 CA LYS A 16 -9.889 5.091 12.838 1.00 25.00 C ATOM 275 C LYS A 16 -10.142 4.475 14.195 1.00 25.00 C ATOM 276 O LYS A 16 -9.560 4.888 15.196 1.00 25.00 O ATOM 277 CB LYS A 16 -11.040 6.045 12.463 1.00 25.00 C ATOM 278 CG LYS A 16 -10.725 6.986 11.288 1.00 25.00 C ATOM 279 CD LYS A 16 -12.000 7.595 10.677 1.00 25.00 C ATOM 280 CE LYS A 16 -11.734 8.119 9.251 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.952 8.675 8.571 1.00 25.00 N ATOM 0 H LYS A 16 -10.460 3.991 11.132 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.976 5.686 12.838 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.920 5.453 12.213 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.297 6.646 13.335 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.070 7.787 11.631 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.182 6.436 10.519 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.790 6.844 10.651 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.356 8.410 11.307 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.969 8.894 9.296 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.330 7.308 8.646 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.786 8.723 7.546 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.768 8.058 8.761 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.147 9.629 8.935 1.00 25.00 H new ATOM 295 N GLN A 17 -10.961 3.437 14.216 1.00 25.00 N ATOM 296 CA GLN A 17 -11.235 2.724 15.452 1.00 25.00 C ATOM 297 C GLN A 17 -10.118 1.726 15.766 1.00 25.00 C ATOM 298 O GLN A 17 -9.696 1.613 16.911 1.00 25.00 O ATOM 299 CB GLN A 17 -12.579 2.004 15.348 1.00 25.00 C ATOM 300 CG GLN A 17 -13.748 2.952 15.084 1.00 25.00 C ATOM 301 CD GLN A 17 -15.087 2.253 15.159 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.436 1.674 16.176 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.842 2.310 14.094 1.00 25.00 N ATOM 0 H GLN A 17 -11.445 3.071 13.396 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.280 3.446 16.267 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.529 1.267 14.547 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.764 1.457 16.273 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.724 3.764 15.810 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.631 3.402 14.098 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.515 2.803 13.263 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.758 1.861 14.094 1.00 25.00 H new ATOM 312 N ALA A 18 -9.621 1.014 14.761 1.00 25.00 N ATOM 313 CA ALA A 18 -8.591 -0.007 14.985 1.00 25.00 C ATOM 314 C ALA A 18 -7.268 0.556 15.545 1.00 25.00 C ATOM 315 O ALA A 18 -6.658 -0.062 16.417 1.00 25.00 O ATOM 316 CB ALA A 18 -8.335 -0.792 13.694 1.00 25.00 C ATOM 0 H ALA A 18 -9.909 1.120 13.788 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.983 -0.673 15.753 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.569 -1.547 13.873 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.257 -1.279 13.375 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.997 -0.110 12.914 1.00 25.00 H new ATOM 322 N LEU A 19 -6.837 1.726 15.082 1.00 25.00 N ATOM 323 CA LEU A 19 -5.607 2.338 15.608 1.00 25.00 C ATOM 324 C LEU A 19 -5.781 2.614 17.101 1.00 25.00 C ATOM 325 O LEU A 19 -4.853 2.459 17.884 1.00 25.00 O ATOM 326 CB LEU A 19 -5.279 3.676 14.906 1.00 25.00 C ATOM 327 CG LEU A 19 -4.106 3.700 13.899 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.505 3.170 12.534 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.574 5.128 13.727 1.00 25.00 C ATOM 0 H LEU A 19 -7.307 2.267 14.356 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.790 1.640 15.425 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.176 4.006 14.382 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.071 4.416 15.679 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.333 3.051 14.312 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.646 3.208 11.864 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.846 2.139 12.629 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.310 3.782 12.127 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.749 5.126 13.015 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.372 5.771 13.356 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.223 5.504 14.688 1.00 25.00 H new ATOM 341 N LYS A 20 -6.970 3.063 17.485 1.00 25.00 N ATOM 342 CA LYS A 20 -7.223 3.453 18.873 1.00 25.00 C ATOM 343 C LYS A 20 -7.589 2.299 19.793 1.00 25.00 C ATOM 344 O LYS A 20 -7.266 2.350 20.967 1.00 25.00 O ATOM 345 CB LYS A 20 -8.310 4.534 18.940 1.00 25.00 C ATOM 346 CG LYS A 20 -7.759 5.956 18.759 1.00 25.00 C ATOM 347 CD LYS A 20 -7.634 6.361 17.285 1.00 25.00 C ATOM 348 CE LYS A 20 -6.694 7.546 17.101 1.00 25.00 C ATOM 349 NZ LYS A 20 -5.256 7.139 17.318 1.00 25.00 N ATOM 0 H LYS A 20 -7.771 3.167 16.862 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.274 3.845 19.239 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.056 4.339 18.169 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -8.820 4.468 19.901 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.413 6.662 19.271 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -6.781 6.025 19.234 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -7.268 5.514 16.705 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -8.619 6.614 16.893 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -6.812 7.955 16.098 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -6.961 8.338 17.801 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -4.628 7.818 16.843 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -5.048 7.129 18.337 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -5.101 6.189 16.924 1.00 25.00 H new ATOM 363 N THR A 21 -8.217 1.252 19.279 1.00 25.00 N ATOM 364 CA THR A 21 -8.592 0.106 20.122 1.00 25.00 C ATOM 365 C THR A 21 -7.344 -0.667 20.562 1.00 25.00 C ATOM 366 O THR A 21 -7.360 -1.392 21.548 1.00 25.00 O ATOM 367 CB THR A 21 -9.620 -0.838 19.413 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.309 -1.610 20.396 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.958 -1.803 18.440 1.00 25.00 C ATOM 0 H THR A 21 -8.479 1.163 18.297 1.00 25.00 H new ATOM 0 HA THR A 21 -9.087 0.500 21.009 1.00 25.00 H new ATOM 0 HB THR A 21 -10.301 -0.198 18.851 1.00 25.00 H new ATOM 0 HG1 THR A 21 -10.954 -2.201 19.955 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.718 -2.433 17.978 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.435 -1.239 17.667 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.246 -2.429 18.977 1.00 25.00 H new ATOM 377 N ARG A 22 -6.233 -0.454 19.864 1.00 25.00 N ATOM 378 CA ARG A 22 -4.960 -1.054 20.267 1.00 25.00 C ATOM 379 C ARG A 22 -4.363 -0.292 21.456 1.00 25.00 C ATOM 380 O ARG A 22 -3.443 -0.761 22.105 1.00 25.00 O ATOM 381 CB ARG A 22 -3.986 -1.071 19.072 1.00 25.00 C ATOM 382 CG ARG A 22 -2.812 -2.070 19.199 1.00 25.00 C ATOM 383 CD ARG A 22 -3.159 -3.493 18.711 1.00 25.00 C ATOM 384 NE ARG A 22 -4.279 -4.098 19.458 1.00 25.00 N ATOM 385 CZ ARG A 22 -4.193 -4.667 20.658 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.069 -4.781 21.314 1.00 25.00 N ATOM 387 NH2 ARG A 22 -5.279 -5.123 21.216 1.00 25.00 N ATOM 0 H ARG A 22 -6.185 0.123 19.024 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.134 -2.083 20.583 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.548 -1.307 18.168 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.578 -0.069 18.941 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.963 -1.695 18.627 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.498 -2.119 20.242 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.413 -3.457 17.652 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.279 -4.129 18.806 1.00 25.00 H new ATOM 0 HE ARG A 22 -5.198 -4.078 19.016 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.203 -4.425 20.908 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -3.057 -5.226 22.232 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -6.174 -5.040 20.733 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -5.234 -5.563 22.135 1.00 25.00 H new ATOM 401 N GLY A 23 -4.886 0.899 21.719 1.00 25.00 N ATOM 402 CA GLY A 23 -4.427 1.720 22.832 1.00 25.00 C ATOM 403 C GLY A 23 -3.189 2.537 22.513 1.00 25.00 C ATOM 404 O GLY A 23 -2.891 3.534 23.174 1.00 25.00 O ATOM 0 H GLY A 23 -5.636 1.321 21.171 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.230 2.394 23.131 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.217 1.076 23.686 1.00 25.00 H new ATOM 408 N VAL A 24 -2.456 2.117 21.495 1.00 25.00 N ATOM 409 CA VAL A 24 -1.213 2.776 21.126 1.00 25.00 C ATOM 410 C VAL A 24 -1.537 4.078 20.402 1.00 25.00 C ATOM 411 O VAL A 24 -2.289 4.103 19.424 1.00 25.00 O ATOM 412 CB VAL A 24 -0.328 1.864 20.229 1.00 25.00 C ATOM 413 CG1 VAL A 24 1.096 2.435 20.127 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.262 0.438 20.811 1.00 25.00 C ATOM 0 H VAL A 24 -2.701 1.320 20.907 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.647 2.987 22.033 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.775 1.827 19.236 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.704 1.786 19.496 1.00 25.00 H new ATOM 0 HG12 VAL A 24 1.057 3.433 19.690 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.538 2.491 21.122 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.361 -0.187 20.172 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.166 0.473 21.813 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.267 0.018 20.861 1.00 25.00 H new ATOM 424 N LYS A 25 -1.003 5.180 20.903 1.00 25.00 N ATOM 425 CA LYS A 25 -1.297 6.492 20.332 1.00 25.00 C ATOM 426 C LYS A 25 -0.387 6.768 19.134 1.00 25.00 C ATOM 427 O LYS A 25 0.628 7.439 19.259 1.00 25.00 O ATOM 428 CB LYS A 25 -1.123 7.570 21.411 1.00 25.00 C ATOM 429 CG LYS A 25 -2.047 7.360 22.620 1.00 25.00 C ATOM 430 CD LYS A 25 -1.830 8.420 23.697 1.00 25.00 C ATOM 431 CE LYS A 25 -2.699 8.119 24.924 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.498 9.123 26.029 1.00 25.00 N ATOM 0 H LYS A 25 -0.366 5.197 21.700 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.328 6.510 19.980 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.087 7.575 21.749 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.321 8.549 20.975 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.086 7.385 22.291 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.871 6.371 23.044 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.779 8.446 23.985 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.076 9.405 23.302 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.749 8.112 24.630 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -2.465 7.121 25.296 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.106 8.877 26.836 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -1.503 9.113 26.330 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.746 10.072 25.685 1.00 25.00 H new ATOM 446 N VAL A 26 -0.785 6.277 17.968 1.00 25.00 N ATOM 447 CA VAL A 26 -0.027 6.496 16.729 1.00 25.00 C ATOM 448 C VAL A 26 -0.789 7.451 15.817 1.00 25.00 C ATOM 449 O VAL A 26 -2.024 7.530 15.860 1.00 25.00 O ATOM 450 CB VAL A 26 0.236 5.165 15.932 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.589 5.237 15.192 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.240 3.954 16.860 1.00 25.00 C ATOM 0 H VAL A 26 -1.632 5.721 17.847 1.00 25.00 H new ATOM 0 HA VAL A 26 0.935 6.914 17.025 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.573 5.053 15.210 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.755 4.308 14.646 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.577 6.072 14.492 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.392 5.381 15.915 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.424 3.051 16.279 1.00 25.00 H new ATOM 0 HG22 VAL A 26 1.025 4.071 17.607 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.726 3.874 17.358 1.00 25.00 H new ATOM 462 N LYS A 27 -0.046 8.159 14.978 1.00 25.00 N ATOM 463 CA LYS A 27 -0.620 9.043 13.964 1.00 25.00 C ATOM 464 C LYS A 27 -0.829 8.184 12.725 1.00 25.00 C ATOM 465 O LYS A 27 0.016 7.357 12.419 1.00 25.00 O ATOM 466 CB LYS A 27 0.362 10.178 13.658 1.00 25.00 C ATOM 467 CG LYS A 27 -0.219 11.316 12.803 1.00 25.00 C ATOM 468 CD LYS A 27 0.878 12.252 12.267 1.00 25.00 C ATOM 469 CE LYS A 27 1.626 13.005 13.383 1.00 25.00 C ATOM 470 NZ LYS A 27 3.117 12.941 13.170 1.00 25.00 N ATOM 0 H LYS A 27 0.974 8.139 14.978 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.556 9.490 14.299 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.719 10.595 14.600 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.229 9.762 13.144 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.775 10.893 11.966 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.928 11.892 13.399 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.594 11.669 11.687 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.430 12.975 11.586 1.00 25.00 H new ATOM 0 HE2 LYS A 27 1.302 14.046 13.405 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.374 12.572 14.351 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 3.605 13.141 14.066 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 3.380 11.991 12.838 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.397 13.646 12.459 1.00 25.00 H new ATOM 484 N PHE A 28 -1.922 8.391 12.008 1.00 25.00 N ATOM 485 CA PHE A 28 -2.231 7.589 10.818 1.00 25.00 C ATOM 486 C PHE A 28 -1.104 7.539 9.793 1.00 25.00 C ATOM 487 O PHE A 28 -0.698 6.467 9.371 1.00 25.00 O ATOM 488 CB PHE A 28 -3.471 8.157 10.132 1.00 25.00 C ATOM 489 CG PHE A 28 -4.685 7.305 10.295 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.924 6.245 9.406 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.605 7.557 11.326 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.066 5.440 9.538 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.759 6.761 11.466 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.989 5.703 10.565 1.00 25.00 C ATOM 0 H PHE A 28 -2.616 9.107 12.224 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.389 6.572 11.175 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.677 9.149 10.534 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.264 8.281 9.069 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.221 6.047 8.611 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.426 8.368 12.017 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.235 4.622 8.853 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.463 6.961 12.260 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.875 5.093 10.663 1.00 25.00 H new ATOM 504 N ALA A 29 -0.597 8.702 9.407 1.00 25.00 N ATOM 505 CA ALA A 29 0.443 8.781 8.385 1.00 25.00 C ATOM 506 C ALA A 29 1.703 8.008 8.786 1.00 25.00 C ATOM 507 O ALA A 29 2.343 7.380 7.956 1.00 25.00 O ATOM 508 CB ALA A 29 0.785 10.251 8.110 1.00 25.00 C ATOM 0 H ALA A 29 -0.887 9.604 9.784 1.00 25.00 H new ATOM 0 HA ALA A 29 0.056 8.318 7.477 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.561 10.307 7.347 1.00 25.00 H new ATOM 0 HB2 ALA A 29 -0.106 10.773 7.760 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.143 10.719 9.027 1.00 25.00 H new ATOM 514 N ASP A 30 2.061 8.068 10.060 1.00 25.00 N ATOM 515 CA ASP A 30 3.259 7.381 10.536 1.00 25.00 C ATOM 516 C ASP A 30 2.996 5.882 10.664 1.00 25.00 C ATOM 517 O ASP A 30 3.879 5.077 10.413 1.00 25.00 O ATOM 518 CB ASP A 30 3.705 7.955 11.884 1.00 25.00 C ATOM 519 CG ASP A 30 4.228 9.382 11.765 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.194 9.624 11.005 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.649 10.279 12.420 1.00 25.00 O ATOM 0 H ASP A 30 1.548 8.579 10.778 1.00 25.00 H new ATOM 0 HA ASP A 30 4.057 7.536 9.810 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.866 7.936 12.579 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.484 7.320 12.306 1.00 25.00 H new ATOM 526 N LEU A 31 1.776 5.508 11.032 1.00 25.00 N ATOM 527 CA LEU A 31 1.427 4.096 11.196 1.00 25.00 C ATOM 528 C LEU A 31 1.437 3.390 9.846 1.00 25.00 C ATOM 529 O LEU A 31 2.117 2.381 9.660 1.00 25.00 O ATOM 530 CB LEU A 31 0.042 3.960 11.859 1.00 25.00 C ATOM 531 CG LEU A 31 -0.455 2.561 12.295 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.220 1.870 11.177 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.668 1.645 12.767 1.00 25.00 C ATOM 0 H LEU A 31 1.013 6.157 11.222 1.00 25.00 H new ATOM 0 HA LEU A 31 2.169 3.627 11.841 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.037 4.599 12.742 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.694 4.368 11.166 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.119 2.742 13.141 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.555 0.890 11.517 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.085 2.473 10.901 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.569 1.751 10.311 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.253 0.680 13.058 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.385 1.502 11.959 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.171 2.097 13.622 1.00 25.00 H new ATOM 545 N LEU A 32 0.698 3.932 8.891 1.00 25.00 N ATOM 546 CA LEU A 32 0.642 3.329 7.557 1.00 25.00 C ATOM 547 C LEU A 32 1.972 3.394 6.834 1.00 25.00 C ATOM 548 O LEU A 32 2.224 2.597 5.948 1.00 25.00 O ATOM 549 CB LEU A 32 -0.417 3.993 6.672 1.00 25.00 C ATOM 550 CG LEU A 32 -1.862 3.474 6.769 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.974 1.963 6.616 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.470 3.905 8.060 1.00 25.00 C ATOM 0 H LEU A 32 0.135 4.775 9.005 1.00 25.00 H new ATOM 0 HA LEU A 32 0.378 2.285 7.727 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.428 5.058 6.904 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.095 3.896 5.635 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.408 3.910 5.932 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.020 1.666 6.695 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.585 1.666 5.642 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.398 1.474 7.401 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.493 3.534 8.122 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.887 3.503 8.889 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.475 4.994 8.114 1.00 25.00 H new ATOM 564 N LYS A 33 2.858 4.292 7.229 1.00 25.00 N ATOM 565 CA LYS A 33 4.192 4.310 6.611 1.00 25.00 C ATOM 566 C LYS A 33 4.932 3.007 6.916 1.00 25.00 C ATOM 567 O LYS A 33 5.723 2.542 6.113 1.00 25.00 O ATOM 568 CB LYS A 33 5.024 5.527 7.050 1.00 25.00 C ATOM 569 CG LYS A 33 6.462 5.564 6.456 1.00 25.00 C ATOM 570 CD LYS A 33 6.497 5.605 4.891 1.00 25.00 C ATOM 571 CE LYS A 33 7.549 4.626 4.320 1.00 25.00 C ATOM 572 NZ LYS A 33 7.492 4.515 2.806 1.00 25.00 N ATOM 0 H LYS A 33 2.697 4.998 7.947 1.00 25.00 H new ATOM 0 HA LYS A 33 4.052 4.397 5.534 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.499 6.436 6.758 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.092 5.533 8.138 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.984 6.438 6.845 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.010 4.687 6.800 1.00 25.00 H new ATOM 0 HD2 LYS A 33 5.512 5.352 4.498 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.723 6.618 4.558 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.544 4.956 4.618 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.396 3.640 4.758 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.184 3.808 2.483 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.537 4.223 2.515 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.716 5.438 2.382 1.00 25.00 H new ATOM 586 N PHE A 34 4.638 2.370 8.034 1.00 25.00 N ATOM 587 CA PHE A 34 5.257 1.081 8.316 1.00 25.00 C ATOM 588 C PHE A 34 4.581 -0.057 7.555 1.00 25.00 C ATOM 589 O PHE A 34 5.228 -1.040 7.244 1.00 25.00 O ATOM 590 CB PHE A 34 5.328 0.829 9.812 1.00 25.00 C ATOM 591 CG PHE A 34 6.504 1.508 10.449 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.461 2.881 10.747 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.689 0.791 10.702 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.579 3.538 11.308 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.817 1.437 11.259 1.00 25.00 C ATOM 596 CZ PHE A 34 8.760 2.815 11.563 1.00 25.00 C ATOM 0 H PHE A 34 3.992 2.709 8.747 1.00 25.00 H new ATOM 0 HA PHE A 34 6.283 1.115 7.950 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.410 1.182 10.281 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.388 -0.244 9.995 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.561 3.442 10.544 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.737 -0.262 10.468 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.528 4.591 11.540 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.720 0.878 11.452 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.619 3.312 11.989 1.00 25.00 H new ATOM 606 N PHE A 35 3.325 0.111 7.165 1.00 25.00 N ATOM 607 CA PHE A 35 2.666 -0.868 6.280 1.00 25.00 C ATOM 608 C PHE A 35 3.353 -0.740 4.915 1.00 25.00 C ATOM 609 O PHE A 35 3.586 -1.712 4.209 1.00 25.00 O ATOM 610 CB PHE A 35 1.169 -0.566 6.086 1.00 25.00 C ATOM 611 CG PHE A 35 0.283 -0.893 7.277 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.702 -0.712 8.617 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.024 -1.358 7.041 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.174 -0.997 9.688 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.906 -1.630 8.109 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.479 -1.454 9.432 1.00 25.00 C ATOM 0 H PHE A 35 2.740 0.901 7.437 1.00 25.00 H new ATOM 0 HA PHE A 35 2.748 -1.862 6.719 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.056 0.492 5.849 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.811 -1.126 5.222 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.700 -0.353 8.822 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.358 -1.509 6.025 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.160 -0.863 10.706 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.910 -1.974 7.907 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.149 -1.668 10.251 1.00 25.00 H new ATOM 626 N ASP A 36 3.692 0.495 4.578 1.00 25.00 N ATOM 627 CA ASP A 36 4.370 0.833 3.329 1.00 25.00 C ATOM 628 C ASP A 36 5.787 0.249 3.315 1.00 25.00 C ATOM 629 O ASP A 36 6.303 -0.137 2.279 1.00 25.00 O ATOM 630 CB ASP A 36 4.445 2.361 3.234 1.00 25.00 C ATOM 631 CG ASP A 36 4.295 2.879 1.834 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.240 2.632 1.215 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.140 3.712 1.437 1.00 25.00 O ATOM 0 H ASP A 36 3.503 1.304 5.170 1.00 25.00 H new ATOM 0 HA ASP A 36 3.821 0.418 2.484 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.665 2.795 3.860 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.401 2.696 3.637 1.00 25.00 H new ATOM 638 N PHE A 37 6.399 0.174 4.489 1.00 25.00 N ATOM 639 CA PHE A 37 7.750 -0.370 4.634 1.00 25.00 C ATOM 640 C PHE A 37 7.784 -1.870 4.352 1.00 25.00 C ATOM 641 O PHE A 37 8.719 -2.360 3.730 1.00 25.00 O ATOM 642 CB PHE A 37 8.274 -0.095 6.051 1.00 25.00 C ATOM 643 CG PHE A 37 9.689 -0.566 6.282 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.781 0.189 5.813 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.937 -1.764 6.981 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.114 -0.246 6.039 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.265 -2.208 7.214 1.00 25.00 C ATOM 648 CZ PHE A 37 12.353 -1.447 6.741 1.00 25.00 C ATOM 0 H PHE A 37 5.979 0.485 5.365 1.00 25.00 H new ATOM 0 HA PHE A 37 8.390 0.124 3.903 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.222 0.976 6.246 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.617 -0.582 6.772 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.603 1.109 5.276 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.107 -2.352 7.344 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.944 0.341 5.674 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.441 -3.127 7.753 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.365 -1.781 6.915 1.00 25.00 H new ATOM 658 N VAL A 38 6.757 -2.604 4.768 1.00 25.00 N ATOM 659 CA VAL A 38 6.742 -4.049 4.511 1.00 25.00 C ATOM 660 C VAL A 38 6.640 -4.308 3.030 1.00 25.00 C ATOM 661 O VAL A 38 7.120 -5.314 2.553 1.00 25.00 O ATOM 662 CB VAL A 38 5.597 -4.834 5.259 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.062 -4.044 6.408 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.417 -5.242 4.341 1.00 25.00 C ATOM 0 H VAL A 38 5.946 -2.242 5.269 1.00 25.00 H new ATOM 0 HA VAL A 38 7.683 -4.427 4.911 1.00 25.00 H new ATOM 0 HB VAL A 38 6.069 -5.750 5.616 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.274 -4.611 6.904 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.865 -3.843 7.117 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.655 -3.101 6.043 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.669 -5.778 4.926 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.967 -4.349 3.908 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.783 -5.887 3.543 1.00 25.00 H new ATOM 674 N LYS A 39 6.014 -3.402 2.295 1.00 25.00 N ATOM 675 CA LYS A 39 5.823 -3.619 0.868 1.00 25.00 C ATOM 676 C LYS A 39 7.173 -3.659 0.158 1.00 25.00 C ATOM 677 O LYS A 39 7.376 -4.435 -0.767 1.00 25.00 O ATOM 678 CB LYS A 39 4.946 -2.521 0.262 1.00 25.00 C ATOM 679 CG LYS A 39 4.492 -2.824 -1.166 1.00 25.00 C ATOM 680 CD LYS A 39 3.595 -1.717 -1.689 1.00 25.00 C ATOM 681 CE LYS A 39 2.904 -2.104 -2.997 1.00 25.00 C ATOM 682 NZ LYS A 39 3.803 -1.907 -4.179 1.00 25.00 N ATOM 0 H LYS A 39 5.636 -2.525 2.653 1.00 25.00 H new ATOM 0 HA LYS A 39 5.319 -4.576 0.733 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.068 -2.379 0.892 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.498 -1.581 0.268 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.362 -2.931 -1.814 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.958 -3.774 -1.189 1.00 25.00 H new ATOM 0 HD2 LYS A 39 2.841 -1.477 -0.939 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.187 -0.815 -1.846 1.00 25.00 H new ATOM 0 HE2 LYS A 39 2.591 -3.147 -2.948 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.002 -1.506 -3.123 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.401 -2.393 -5.006 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 3.891 -0.891 -4.383 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.743 -2.301 -3.970 1.00 25.00 H new ATOM 696 N ASP A 40 8.086 -2.818 0.621 1.00 25.00 N ATOM 697 CA ASP A 40 9.433 -2.726 0.056 1.00 25.00 C ATOM 698 C ASP A 40 10.258 -3.979 0.355 1.00 25.00 C ATOM 699 O ASP A 40 10.809 -4.602 -0.545 1.00 25.00 O ATOM 700 CB ASP A 40 10.135 -1.499 0.647 1.00 25.00 C ATOM 701 CG ASP A 40 11.510 -1.269 0.054 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.596 -0.661 -1.034 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.509 -1.611 0.722 1.00 25.00 O ATOM 0 H ASP A 40 7.919 -2.179 1.398 1.00 25.00 H new ATOM 0 HA ASP A 40 9.347 -2.635 -1.027 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.519 -0.616 0.477 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.225 -1.622 1.726 1.00 25.00 H new ATOM 708 N THR A 41 10.331 -4.355 1.625 1.00 25.00 N ATOM 709 CA THR A 41 11.141 -5.505 2.036 1.00 25.00 C ATOM 710 C THR A 41 10.508 -6.843 1.653 1.00 25.00 C ATOM 711 O THR A 41 11.194 -7.839 1.445 1.00 25.00 O ATOM 712 CB THR A 41 11.341 -5.490 3.560 1.00 25.00 C ATOM 713 OG1 THR A 41 11.405 -4.135 4.010 1.00 25.00 O ATOM 714 CG2 THR A 41 12.624 -6.187 3.955 1.00 25.00 C ATOM 0 H THR A 41 9.844 -3.886 2.389 1.00 25.00 H new ATOM 0 HA THR A 41 12.093 -5.413 1.512 1.00 25.00 H new ATOM 0 HB THR A 41 10.502 -6.015 4.017 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.531 -4.119 4.982 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.735 -6.158 5.039 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.593 -7.224 3.621 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.471 -5.682 3.490 1.00 25.00 H new ATOM 722 N CYS A 42 9.188 -6.866 1.592 1.00 25.00 N ATOM 723 CA CYS A 42 8.432 -8.078 1.284 1.00 25.00 C ATOM 724 C CYS A 42 7.512 -7.867 0.080 1.00 25.00 C ATOM 725 O CYS A 42 6.292 -7.778 0.240 1.00 25.00 O ATOM 726 CB CYS A 42 7.572 -8.476 2.491 1.00 25.00 C ATOM 727 SG CYS A 42 8.474 -8.529 4.040 1.00 25.00 S ATOM 0 H CYS A 42 8.604 -6.045 1.754 1.00 25.00 H new ATOM 0 HA CYS A 42 9.149 -8.865 1.050 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.747 -7.769 2.586 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.132 -9.456 2.304 1.00 25.00 H new ATOM 0 HG CYS A 42 9.643 -9.062 3.843 1.00 25.00 H new ATOM 733 N PRO A 43 8.065 -7.837 -1.146 1.00 25.00 N ATOM 734 CA PRO A 43 7.177 -7.634 -2.300 1.00 25.00 C ATOM 735 C PRO A 43 6.269 -8.837 -2.553 1.00 25.00 C ATOM 736 O PRO A 43 5.238 -8.738 -3.213 1.00 25.00 O ATOM 737 CB PRO A 43 8.162 -7.413 -3.451 1.00 25.00 C ATOM 738 CG PRO A 43 9.365 -8.195 -3.055 1.00 25.00 C ATOM 739 CD PRO A 43 9.472 -7.993 -1.565 1.00 25.00 C ATOM 0 HA PRO A 43 6.483 -6.805 -2.159 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.753 -7.764 -4.399 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.397 -6.356 -3.577 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.253 -9.250 -3.306 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.257 -7.838 -3.569 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.946 -8.844 -1.076 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.066 -7.113 -1.319 1.00 25.00 H new ATOM 747 N TRP A 44 6.636 -9.968 -1.969 1.00 25.00 N ATOM 748 CA TRP A 44 5.844 -11.186 -2.049 1.00 25.00 C ATOM 749 C TRP A 44 4.661 -11.185 -1.075 1.00 25.00 C ATOM 750 O TRP A 44 3.756 -11.995 -1.203 1.00 25.00 O ATOM 751 CB TRP A 44 6.748 -12.384 -1.790 1.00 25.00 C ATOM 752 CG TRP A 44 7.853 -12.045 -0.857 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.750 -11.807 0.459 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.249 -11.870 -1.174 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.960 -11.510 1.020 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.913 -11.528 0.040 1.00 25.00 C ATOM 757 CE3 TRP A 44 10.004 -11.951 -2.362 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.296 -11.268 0.096 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.397 -11.690 -2.311 1.00 25.00 C ATOM 760 CH2 TRP A 44 12.026 -11.349 -1.076 1.00 25.00 C ATOM 0 H TRP A 44 7.493 -10.067 -1.425 1.00 25.00 H new ATOM 0 HA TRP A 44 5.418 -11.245 -3.051 1.00 25.00 H new ATOM 0 HB2 TRP A 44 6.159 -13.202 -1.375 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.164 -12.737 -2.734 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.822 -11.846 1.009 1.00 25.00 H new ATOM 0 HE1 TRP A 44 9.125 -11.308 2.006 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.529 -12.208 -3.297 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.774 -11.012 1.030 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.987 -11.750 -3.214 1.00 25.00 H new ATOM 0 HH2 TRP A 44 13.088 -11.151 -1.056 1.00 25.00 H new ATOM 771 N PHE A 45 4.633 -10.264 -0.118 1.00 25.00 N ATOM 772 CA PHE A 45 3.496 -10.198 0.807 1.00 25.00 C ATOM 773 C PHE A 45 2.213 -9.728 0.095 1.00 25.00 C ATOM 774 O PHE A 45 1.203 -10.439 0.131 1.00 25.00 O ATOM 775 CB PHE A 45 3.799 -9.311 2.022 1.00 25.00 C ATOM 776 CG PHE A 45 2.650 -9.220 2.991 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.466 -10.207 3.977 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.730 -8.157 2.910 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.380 -10.129 4.883 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.634 -8.078 3.803 1.00 25.00 C ATOM 781 CZ PHE A 45 0.463 -9.063 4.793 1.00 25.00 C ATOM 0 H PHE A 45 5.361 -9.568 0.040 1.00 25.00 H new ATOM 0 HA PHE A 45 3.327 -11.212 1.171 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.673 -9.703 2.541 1.00 25.00 H new ATOM 0 HB3 PHE A 45 4.056 -8.309 1.677 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.160 -11.032 4.044 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.862 -7.393 2.158 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.255 -10.886 5.643 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.070 -7.263 3.724 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.367 -9.002 5.481 1.00 25.00 H new ATOM 791 N PRO A 46 2.232 -8.561 -0.599 1.00 25.00 N ATOM 792 CA PRO A 46 0.969 -8.262 -1.283 1.00 25.00 C ATOM 793 C PRO A 46 0.689 -9.187 -2.468 1.00 25.00 C ATOM 794 O PRO A 46 -0.445 -9.302 -2.903 1.00 25.00 O ATOM 795 CB PRO A 46 1.166 -6.816 -1.746 1.00 25.00 C ATOM 796 CG PRO A 46 2.611 -6.708 -1.976 1.00 25.00 C ATOM 797 CD PRO A 46 3.220 -7.487 -0.842 1.00 25.00 C ATOM 0 HA PRO A 46 0.108 -8.407 -0.631 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.601 -6.608 -2.655 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.828 -6.106 -0.991 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.893 -7.124 -2.943 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.940 -5.669 -1.968 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.196 -7.891 -1.110 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.364 -6.865 0.042 1.00 25.00 H new ATOM 805 N GLN A 47 1.716 -9.877 -2.952 1.00 25.00 N ATOM 806 CA GLN A 47 1.572 -10.825 -4.056 1.00 25.00 C ATOM 807 C GLN A 47 0.670 -12.004 -3.674 1.00 25.00 C ATOM 808 O GLN A 47 -0.068 -12.516 -4.507 1.00 25.00 O ATOM 809 CB GLN A 47 2.954 -11.337 -4.465 1.00 25.00 C ATOM 810 CG GLN A 47 2.977 -12.147 -5.749 1.00 25.00 C ATOM 811 CD GLN A 47 4.383 -12.552 -6.138 1.00 25.00 C ATOM 812 OE1 GLN A 47 5.173 -12.974 -5.309 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.704 -12.415 -7.398 1.00 25.00 N ATOM 0 H GLN A 47 2.668 -9.797 -2.594 1.00 25.00 H new ATOM 0 HA GLN A 47 1.102 -10.308 -4.893 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.624 -10.484 -4.578 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.353 -11.951 -3.657 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.363 -13.039 -5.626 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.532 -11.563 -6.554 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.018 -12.059 -8.063 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.641 -12.664 -7.716 1.00 25.00 H new ATOM 822 N GLU A 48 0.704 -12.421 -2.412 1.00 25.00 N ATOM 823 CA GLU A 48 -0.171 -13.508 -1.959 1.00 25.00 C ATOM 824 C GLU A 48 -1.626 -13.038 -1.875 1.00 25.00 C ATOM 825 O GLU A 48 -2.548 -13.853 -1.892 1.00 25.00 O ATOM 826 CB GLU A 48 0.263 -14.045 -0.587 1.00 25.00 C ATOM 827 CG GLU A 48 1.594 -14.795 -0.607 1.00 25.00 C ATOM 828 CD GLU A 48 1.787 -15.663 0.630 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.082 -16.697 0.744 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.623 -15.329 1.502 1.00 25.00 O ATOM 0 H GLU A 48 1.315 -12.034 -1.693 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.089 -14.310 -2.693 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.338 -13.211 0.111 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.512 -14.711 -0.207 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.643 -15.421 -1.498 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.412 -14.078 -0.676 1.00 25.00 H new ATOM 837 N GLY A 49 -1.818 -11.726 -1.761 1.00 25.00 N ATOM 838 CA GLY A 49 -3.152 -11.134 -1.716 1.00 25.00 C ATOM 839 C GLY A 49 -4.048 -11.647 -0.604 1.00 25.00 C ATOM 840 O GLY A 49 -5.265 -11.547 -0.695 1.00 25.00 O ATOM 0 H GLY A 49 -1.059 -11.048 -1.698 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.050 -10.054 -1.610 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.645 -11.315 -2.671 1.00 25.00 H new ATOM 844 N THR A 50 -3.450 -12.227 0.427 1.00 25.00 N ATOM 845 CA THR A 50 -4.201 -12.845 1.518 1.00 25.00 C ATOM 846 C THR A 50 -3.673 -12.357 2.855 1.00 25.00 C ATOM 847 O THR A 50 -2.460 -12.362 3.089 1.00 25.00 O ATOM 848 CB THR A 50 -4.062 -14.380 1.483 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.390 -14.870 0.180 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.998 -15.038 2.489 1.00 25.00 C ATOM 0 H THR A 50 -2.437 -12.284 0.534 1.00 25.00 H new ATOM 0 HA THR A 50 -5.248 -12.568 1.395 1.00 25.00 H new ATOM 0 HB THR A 50 -3.030 -14.624 1.735 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.711 -14.573 -0.462 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.879 -16.120 2.443 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.757 -14.689 3.493 1.00 25.00 H new ATOM 0 HG23 THR A 50 -6.029 -14.776 2.252 1.00 25.00 H new ATOM 858 N ILE A 51 -4.572 -11.963 3.743 1.00 25.00 N ATOM 859 CA ILE A 51 -4.183 -11.485 5.060 1.00 25.00 C ATOM 860 C ILE A 51 -4.492 -12.536 6.103 1.00 25.00 C ATOM 861 O ILE A 51 -5.636 -12.826 6.439 1.00 25.00 O ATOM 862 CB ILE A 51 -4.903 -10.182 5.442 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.622 -9.072 4.422 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.487 -9.711 6.869 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.185 -8.606 4.289 1.00 25.00 C ATOM 0 H ILE A 51 -5.578 -11.965 3.575 1.00 25.00 H new ATOM 0 HA ILE A 51 -3.112 -11.285 5.023 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.973 -10.390 5.440 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.958 -9.418 3.444 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.235 -8.209 4.683 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -5.011 -8.787 7.114 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.747 -10.480 7.596 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.411 -9.536 6.895 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.126 -7.820 3.536 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.838 -8.218 5.247 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.557 -9.445 3.989 1.00 25.00 H new ATOM 877 N ASP A 52 -3.425 -13.062 6.660 1.00 25.00 N ATOM 878 CA ASP A 52 -3.512 -13.999 7.767 1.00 25.00 C ATOM 879 C ASP A 52 -2.274 -13.818 8.601 1.00 25.00 C ATOM 880 O ASP A 52 -1.267 -13.290 8.129 1.00 25.00 O ATOM 881 CB ASP A 52 -3.571 -15.445 7.291 1.00 25.00 C ATOM 882 CG ASP A 52 -3.750 -16.413 8.438 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.532 -16.109 9.364 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.957 -17.371 8.518 1.00 25.00 O ATOM 0 H ASP A 52 -2.472 -12.855 6.362 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.425 -13.800 8.329 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.395 -15.561 6.587 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.655 -15.687 6.752 1.00 25.00 H new ATOM 889 N ILE A 53 -2.326 -14.277 9.834 1.00 25.00 N ATOM 890 CA ILE A 53 -1.201 -14.138 10.725 1.00 25.00 C ATOM 891 C ILE A 53 -0.031 -14.984 10.245 1.00 25.00 C ATOM 892 O ILE A 53 1.110 -14.610 10.444 1.00 25.00 O ATOM 893 CB ILE A 53 -1.617 -14.490 12.168 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.545 -14.046 13.176 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.853 -15.994 12.345 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.287 -12.566 13.257 1.00 25.00 C ATOM 0 H ILE A 53 -3.135 -14.748 10.238 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.870 -13.100 10.723 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.549 -13.958 12.356 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.837 -14.398 14.165 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.391 -14.544 12.924 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.144 -16.198 13.375 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.647 -16.319 11.673 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.936 -16.536 12.113 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.487 -12.372 14.000 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.043 -12.200 12.285 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.204 -12.052 13.546 1.00 25.00 H new ATOM 908 N LYS A 54 -0.298 -16.089 9.556 1.00 25.00 N ATOM 909 CA LYS A 54 0.783 -16.934 9.038 1.00 25.00 C ATOM 910 C LYS A 54 1.549 -16.188 7.951 1.00 25.00 C ATOM 911 O LYS A 54 2.765 -16.296 7.860 1.00 25.00 O ATOM 912 CB LYS A 54 0.224 -18.248 8.488 1.00 25.00 C ATOM 913 CG LYS A 54 -0.449 -19.109 9.558 1.00 25.00 C ATOM 914 CD LYS A 54 -1.214 -20.266 8.932 1.00 25.00 C ATOM 915 CE LYS A 54 -2.059 -20.977 9.986 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.917 -22.048 9.375 1.00 25.00 N ATOM 0 H LYS A 54 -1.239 -16.421 9.343 1.00 25.00 H new ATOM 0 HA LYS A 54 1.465 -17.169 9.855 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.497 -18.028 7.701 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.033 -18.816 8.029 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.304 -19.496 10.244 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.131 -18.495 10.147 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.855 -19.896 8.132 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.515 -20.971 8.481 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.407 -21.418 10.740 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.691 -20.251 10.497 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.478 -22.510 10.119 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.556 -21.623 8.674 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.312 -22.754 8.909 1.00 25.00 H new ATOM 930 N ARG A 55 0.841 -15.379 7.170 1.00 25.00 N ATOM 931 CA ARG A 55 1.488 -14.538 6.157 1.00 25.00 C ATOM 932 C ARG A 55 2.266 -13.440 6.859 1.00 25.00 C ATOM 933 O ARG A 55 3.363 -13.091 6.460 1.00 25.00 O ATOM 934 CB ARG A 55 0.454 -13.904 5.214 1.00 25.00 C ATOM 935 CG ARG A 55 0.276 -14.651 3.907 1.00 25.00 C ATOM 936 CD ARG A 55 -0.910 -15.601 3.923 1.00 25.00 C ATOM 937 NE ARG A 55 -0.904 -16.392 2.687 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.823 -17.269 2.312 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.869 -17.557 3.046 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.671 -17.863 1.167 1.00 25.00 N ATOM 0 H ARG A 55 -0.174 -15.285 7.214 1.00 25.00 H new ATOM 0 HA ARG A 55 2.154 -15.161 5.560 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.507 -13.853 5.726 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.755 -12.879 4.997 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.147 -13.932 3.098 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.183 -15.215 3.691 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.855 -16.258 4.791 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.841 -15.040 4.007 1.00 25.00 H new ATOM 0 HE ARG A 55 -0.115 -16.253 2.055 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -3.001 -17.099 3.948 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -3.551 -18.240 2.716 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -0.861 -17.649 0.585 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.361 -18.544 0.850 1.00 25.00 H new ATOM 954 N TRP A 56 1.705 -12.919 7.937 1.00 25.00 N ATOM 955 CA TRP A 56 2.366 -11.867 8.698 1.00 25.00 C ATOM 956 C TRP A 56 3.642 -12.347 9.391 1.00 25.00 C ATOM 957 O TRP A 56 4.558 -11.556 9.585 1.00 25.00 O ATOM 958 CB TRP A 56 1.403 -11.279 9.724 1.00 25.00 C ATOM 959 CG TRP A 56 1.835 -9.929 10.210 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.247 -9.594 11.456 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.924 -8.712 9.441 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.578 -8.272 11.540 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.405 -7.695 10.316 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.656 -8.380 8.099 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.633 -6.374 9.883 1.00 25.00 C ATOM 966 CZ3 TRP A 56 1.883 -7.052 7.659 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.366 -6.060 8.562 1.00 25.00 C ATOM 0 H TRP A 56 0.798 -13.204 8.305 1.00 25.00 H new ATOM 0 HA TRP A 56 2.662 -11.098 7.984 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.410 -11.202 9.282 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.322 -11.958 10.573 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.306 -10.287 12.282 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.902 -7.794 12.381 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.283 -9.127 7.414 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.007 -5.625 10.565 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.688 -6.789 6.630 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.525 -5.051 8.211 1.00 25.00 H new ATOM 978 N ARG A 57 3.734 -13.635 9.725 1.00 25.00 N ATOM 979 CA ARG A 57 4.966 -14.170 10.341 1.00 25.00 C ATOM 980 C ARG A 57 6.128 -13.899 9.389 1.00 25.00 C ATOM 981 O ARG A 57 7.150 -13.359 9.789 1.00 25.00 O ATOM 982 CB ARG A 57 4.921 -15.691 10.616 1.00 25.00 C ATOM 983 CG ARG A 57 3.699 -16.255 11.367 1.00 25.00 C ATOM 984 CD ARG A 57 3.373 -15.571 12.688 1.00 25.00 C ATOM 985 NE ARG A 57 2.402 -16.344 13.495 1.00 25.00 N ATOM 986 CZ ARG A 57 1.818 -15.920 14.617 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.086 -14.754 15.149 1.00 25.00 N ATOM 988 NH2 ARG A 57 0.930 -16.671 15.209 1.00 25.00 N ATOM 0 H ARG A 57 2.992 -14.321 9.586 1.00 25.00 H new ATOM 0 HA ARG A 57 5.080 -13.674 11.305 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.991 -16.206 9.658 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.813 -15.954 11.185 1.00 25.00 H new ATOM 0 HG2 ARG A 57 2.828 -16.183 10.715 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.868 -17.315 11.558 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.291 -15.434 13.260 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.969 -14.578 12.491 1.00 25.00 H new ATOM 0 HE ARG A 57 2.159 -17.278 13.166 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.763 -14.134 14.704 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.618 -14.466 16.008 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.685 -17.579 14.814 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.481 -16.350 16.067 1.00 25.00 H new ATOM 1002 N ARG A 58 5.913 -14.218 8.116 1.00 25.00 N ATOM 1003 CA ARG A 58 6.934 -14.053 7.071 1.00 25.00 C ATOM 1004 C ARG A 58 7.461 -12.636 6.954 1.00 25.00 C ATOM 1005 O ARG A 58 8.600 -12.441 6.592 1.00 25.00 O ATOM 1006 CB ARG A 58 6.379 -14.467 5.705 1.00 25.00 C ATOM 1007 CG ARG A 58 6.120 -15.953 5.558 1.00 25.00 C ATOM 1008 CD ARG A 58 5.464 -16.251 4.211 1.00 25.00 C ATOM 1009 NE ARG A 58 5.568 -17.679 3.873 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.007 -18.262 2.819 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.246 -17.621 1.971 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.222 -19.532 2.615 1.00 25.00 N ATOM 0 H ARG A 58 5.030 -14.598 7.774 1.00 25.00 H new ATOM 0 HA ARG A 58 7.761 -14.696 7.372 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.448 -13.929 5.527 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.081 -14.155 4.932 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.058 -16.502 5.642 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.476 -16.298 6.367 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.415 -15.957 4.242 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.939 -15.655 3.432 1.00 25.00 H new ATOM 0 HE ARG A 58 6.115 -18.270 4.499 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.060 -16.627 2.103 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.839 -18.115 1.177 1.00 25.00 H new ATOM 0 HH21 ARG A 58 5.812 -20.059 3.259 1.00 25.00 H new ATOM 0 HH22 ARG A 58 4.800 -19.998 1.812 1.00 25.00 H new ATOM 1026 N VAL A 59 6.638 -11.649 7.258 1.00 25.00 N ATOM 1027 CA VAL A 59 7.064 -10.251 7.172 1.00 25.00 C ATOM 1028 C VAL A 59 8.140 -9.973 8.209 1.00 25.00 C ATOM 1029 O VAL A 59 9.130 -9.297 7.943 1.00 25.00 O ATOM 1030 CB VAL A 59 5.863 -9.303 7.407 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.292 -7.849 7.389 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.815 -9.548 6.355 1.00 25.00 C ATOM 0 H VAL A 59 5.675 -11.781 7.566 1.00 25.00 H new ATOM 0 HA VAL A 59 7.465 -10.073 6.174 1.00 25.00 H new ATOM 0 HB VAL A 59 5.449 -9.513 8.393 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.424 -7.211 7.557 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.027 -7.677 8.176 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.734 -7.612 6.421 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.970 -8.880 6.521 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.238 -9.359 5.369 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.477 -10.583 6.412 1.00 25.00 H new ATOM 1042 N GLY A 60 7.952 -10.518 9.397 1.00 25.00 N ATOM 1043 CA GLY A 60 8.908 -10.301 10.460 1.00 25.00 C ATOM 1044 C GLY A 60 10.136 -11.155 10.260 1.00 25.00 C ATOM 1045 O GLY A 60 11.250 -10.725 10.546 1.00 25.00 O ATOM 0 H GLY A 60 7.156 -11.106 9.645 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.192 -9.249 10.490 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.449 -10.535 11.421 1.00 25.00 H new ATOM 1049 N ASP A 61 9.932 -12.342 9.709 1.00 25.00 N ATOM 1050 CA ASP A 61 11.035 -13.244 9.382 1.00 25.00 C ATOM 1051 C ASP A 61 11.924 -12.547 8.348 1.00 25.00 C ATOM 1052 O ASP A 61 13.144 -12.604 8.412 1.00 25.00 O ATOM 1053 CB ASP A 61 10.504 -14.567 8.799 1.00 25.00 C ATOM 1054 CG ASP A 61 9.588 -15.324 9.766 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.771 -15.219 10.998 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.660 -16.016 9.277 1.00 25.00 O ATOM 0 H ASP A 61 9.009 -12.708 9.476 1.00 25.00 H new ATOM 0 HA ASP A 61 11.599 -13.476 10.285 1.00 25.00 H new ATOM 0 HB2 ASP A 61 9.958 -14.359 7.879 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.347 -15.204 8.532 1.00 25.00 H new ATOM 1061 N CYS A 62 11.288 -11.841 7.421 1.00 25.00 N ATOM 1062 CA CYS A 62 11.991 -11.091 6.381 1.00 25.00 C ATOM 1063 C CYS A 62 12.827 -9.965 6.969 1.00 25.00 C ATOM 1064 O CYS A 62 13.979 -9.769 6.586 1.00 25.00 O ATOM 1065 CB CYS A 62 10.974 -10.485 5.418 1.00 25.00 C ATOM 1066 SG CYS A 62 11.612 -10.219 3.755 1.00 25.00 S ATOM 0 H CYS A 62 10.272 -11.771 7.367 1.00 25.00 H new ATOM 0 HA CYS A 62 12.654 -11.784 5.863 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.105 -11.141 5.363 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.629 -9.533 5.821 1.00 25.00 H new ATOM 0 HG CYS A 62 10.982 -10.991 2.920 1.00 25.00 H new ATOM 1072 N PHE A 63 12.255 -9.224 7.911 1.00 25.00 N ATOM 1073 CA PHE A 63 12.994 -8.135 8.539 1.00 25.00 C ATOM 1074 C PHE A 63 14.186 -8.707 9.278 1.00 25.00 C ATOM 1075 O PHE A 63 15.244 -8.105 9.281 1.00 25.00 O ATOM 1076 CB PHE A 63 12.142 -7.350 9.542 1.00 25.00 C ATOM 1077 CG PHE A 63 10.953 -6.633 8.936 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.995 -6.103 7.627 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.784 -6.455 9.702 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.879 -5.413 7.089 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.670 -5.756 9.176 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.719 -5.240 7.866 1.00 25.00 C ATOM 0 H PHE A 63 11.302 -9.353 8.251 1.00 25.00 H new ATOM 0 HA PHE A 63 13.301 -7.453 7.746 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.783 -8.036 10.309 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.776 -6.617 10.041 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.887 -6.225 7.030 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.737 -6.857 10.703 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.920 -5.021 6.084 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.784 -5.619 9.778 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.868 -4.713 7.459 1.00 25.00 H new ATOM 1092 N GLN A 64 14.020 -9.866 9.900 1.00 25.00 N ATOM 1093 CA GLN A 64 15.111 -10.493 10.639 1.00 25.00 C ATOM 1094 C GLN A 64 16.218 -10.939 9.701 1.00 25.00 C ATOM 1095 O GLN A 64 17.394 -10.782 10.010 1.00 25.00 O ATOM 1096 CB GLN A 64 14.609 -11.706 11.422 1.00 25.00 C ATOM 1097 CG GLN A 64 15.697 -12.372 12.269 1.00 25.00 C ATOM 1098 CD GLN A 64 16.269 -11.433 13.314 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.582 -11.012 14.229 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.524 -11.094 13.172 1.00 25.00 N ATOM 0 H GLN A 64 13.145 -10.390 9.909 1.00 25.00 H new ATOM 0 HA GLN A 64 15.503 -9.749 11.332 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.790 -11.397 12.072 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.203 -12.438 10.724 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.283 -13.252 12.762 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.499 -12.719 11.618 1.00 25.00 H new ATOM 0 HE21 GLN A 64 18.068 -11.466 12.394 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.959 -10.457 13.840 1.00 25.00 H new ATOM 1109 N ASP A 65 15.850 -11.504 8.566 1.00 25.00 N ATOM 1110 CA ASP A 65 16.838 -11.991 7.612 1.00 25.00 C ATOM 1111 C ASP A 65 17.659 -10.813 7.099 1.00 25.00 C ATOM 1112 O ASP A 65 18.887 -10.823 7.123 1.00 25.00 O ATOM 1113 CB ASP A 65 16.134 -12.697 6.453 1.00 25.00 C ATOM 1114 CG ASP A 65 17.048 -13.660 5.714 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.221 -13.803 6.117 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.575 -14.310 4.759 1.00 25.00 O ATOM 0 H ASP A 65 14.880 -11.638 8.280 1.00 25.00 H new ATOM 0 HA ASP A 65 17.502 -12.705 8.099 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.271 -13.242 6.835 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.756 -11.951 5.754 1.00 25.00 H new ATOM 1121 N TYR A 66 16.970 -9.749 6.723 1.00 25.00 N ATOM 1122 CA TYR A 66 17.636 -8.544 6.239 1.00 25.00 C ATOM 1123 C TYR A 66 18.490 -7.924 7.361 1.00 25.00 C ATOM 1124 O TYR A 66 19.603 -7.448 7.126 1.00 25.00 O ATOM 1125 CB TYR A 66 16.582 -7.552 5.734 1.00 25.00 C ATOM 1126 CG TYR A 66 17.042 -6.684 4.574 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.186 -5.862 4.674 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.330 -6.690 3.355 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.610 -5.069 3.573 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.747 -5.884 2.260 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.885 -5.084 2.383 1.00 25.00 C ATOM 1132 OH TYR A 66 18.298 -4.304 1.332 1.00 25.00 O ATOM 0 H TYR A 66 15.952 -9.691 6.742 1.00 25.00 H new ATOM 0 HA TYR A 66 18.302 -8.797 5.414 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.696 -8.107 5.427 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.284 -6.906 6.560 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.745 -5.836 5.598 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.456 -7.316 3.252 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.494 -4.455 3.659 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.186 -5.891 1.337 1.00 25.00 H new ATOM 0 HH TYR A 66 17.688 -4.426 0.574 1.00 25.00 H new ATOM 1142 N PHE A 67 17.990 -7.979 8.588 1.00 25.00 N ATOM 1143 CA PHE A 67 18.720 -7.450 9.746 1.00 25.00 C ATOM 1144 C PHE A 67 19.987 -8.258 10.027 1.00 25.00 C ATOM 1145 O PHE A 67 21.002 -7.698 10.402 1.00 25.00 O ATOM 1146 CB PHE A 67 17.810 -7.467 10.981 1.00 25.00 C ATOM 1147 CG PHE A 67 18.406 -6.811 12.200 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.297 -7.516 13.033 1.00 25.00 C ATOM 1149 CD2 PHE A 67 18.055 -5.493 12.538 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.843 -6.905 14.189 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.583 -4.877 13.693 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.485 -5.584 14.518 1.00 25.00 C ATOM 0 H PHE A 67 17.081 -8.384 8.814 1.00 25.00 H new ATOM 0 HA PHE A 67 19.018 -6.426 9.519 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.874 -6.966 10.735 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.565 -8.501 11.223 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.567 -8.533 12.788 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.372 -4.944 11.906 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.532 -7.451 14.816 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.298 -3.866 13.945 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.898 -5.113 15.398 1.00 25.00 H new ATOM 1162 N ASN A 68 19.948 -9.569 9.844 1.00 25.00 N ATOM 1163 CA ASN A 68 21.135 -10.388 10.100 1.00 25.00 C ATOM 1164 C ASN A 68 22.151 -10.189 8.978 1.00 25.00 C ATOM 1165 O ASN A 68 23.352 -10.149 9.213 1.00 25.00 O ATOM 1166 CB ASN A 68 20.744 -11.868 10.279 1.00 25.00 C ATOM 1167 CG ASN A 68 21.227 -12.759 9.154 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.370 -13.177 9.128 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.341 -13.104 8.269 1.00 25.00 N ATOM 0 H ASN A 68 19.128 -10.085 9.526 1.00 25.00 H new ATOM 0 HA ASN A 68 21.603 -10.070 11.032 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.152 -12.232 11.222 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.659 -11.943 10.351 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.593 -13.747 7.518 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.393 -12.732 8.325 1.00 25.00 H new ATOM 1176 N THR A 69 21.646 -9.994 7.772 1.00 25.00 N ATOM 1177 CA THR A 69 22.491 -9.762 6.601 1.00 25.00 C ATOM 1178 C THR A 69 23.232 -8.418 6.651 1.00 25.00 C ATOM 1179 O THR A 69 24.400 -8.337 6.274 1.00 25.00 O ATOM 1180 CB THR A 69 21.630 -9.800 5.304 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.919 -11.038 5.239 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.487 -9.704 4.049 1.00 25.00 C ATOM 0 H THR A 69 20.646 -9.991 7.572 1.00 25.00 H new ATOM 0 HA THR A 69 23.236 -10.558 6.601 1.00 25.00 H new ATOM 0 HB THR A 69 20.953 -8.947 5.344 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.183 -11.027 5.886 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.846 -9.734 3.168 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.045 -8.768 4.060 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.184 -10.541 4.020 1.00 25.00 H new ATOM 1190 N PHE A 70 22.547 -7.352 7.058 1.00 25.00 N ATOM 1191 CA PHE A 70 23.119 -6.002 6.970 1.00 25.00 C ATOM 1192 C PHE A 70 23.119 -5.149 8.255 1.00 25.00 C ATOM 1193 O PHE A 70 23.571 -4.003 8.245 1.00 25.00 O ATOM 1194 CB PHE A 70 22.380 -5.257 5.869 1.00 25.00 C ATOM 1195 CG PHE A 70 23.288 -4.639 4.847 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.904 -3.396 5.086 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.543 -5.306 3.638 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.769 -2.816 4.124 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.408 -4.739 2.664 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.021 -3.491 2.910 1.00 25.00 C ATOM 0 H PHE A 70 21.605 -7.390 7.448 1.00 25.00 H new ATOM 0 HA PHE A 70 24.179 -6.152 6.765 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.700 -5.946 5.369 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.768 -4.475 6.319 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.715 -2.877 6.014 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.076 -6.261 3.446 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.234 -1.861 4.319 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.596 -5.261 1.738 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.679 -3.055 2.173 1.00 25.00 H new ATOM 1210 N GLY A 71 22.648 -5.703 9.359 1.00 25.00 N ATOM 1211 CA GLY A 71 22.711 -5.012 10.640 1.00 25.00 C ATOM 1212 C GLY A 71 21.640 -3.961 10.919 1.00 25.00 C ATOM 1213 O GLY A 71 20.785 -3.663 10.070 1.00 25.00 O ATOM 0 H GLY A 71 22.218 -6.627 9.397 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.663 -5.761 11.431 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.686 -4.530 10.716 1.00 25.00 H new ATOM 1217 N PRO A 72 21.680 -3.346 12.121 1.00 25.00 N ATOM 1218 CA PRO A 72 20.700 -2.324 12.523 1.00 25.00 C ATOM 1219 C PRO A 72 20.858 -0.998 11.792 1.00 25.00 C ATOM 1220 O PRO A 72 19.952 -0.171 11.785 1.00 25.00 O ATOM 1221 CB PRO A 72 20.984 -2.149 14.017 1.00 25.00 C ATOM 1222 CG PRO A 72 22.421 -2.448 14.150 1.00 25.00 C ATOM 1223 CD PRO A 72 22.656 -3.596 13.203 1.00 25.00 C ATOM 0 HA PRO A 72 19.682 -2.634 12.286 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.756 -1.136 14.350 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.379 -2.827 14.619 1.00 25.00 H new ATOM 0 HG2 PRO A 72 23.032 -1.585 13.887 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.677 -2.719 15.174 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.679 -3.606 12.828 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.484 -4.558 13.686 1.00 25.00 H new ATOM 1231 N GLU A 73 22.000 -0.816 11.146 1.00 25.00 N ATOM 1232 CA GLU A 73 22.272 0.397 10.379 1.00 25.00 C ATOM 1233 C GLU A 73 21.444 0.393 9.098 1.00 25.00 C ATOM 1234 O GLU A 73 21.312 1.406 8.413 1.00 25.00 O ATOM 1235 CB GLU A 73 23.761 0.464 10.023 1.00 25.00 C ATOM 1236 CG GLU A 73 24.690 0.289 11.226 1.00 25.00 C ATOM 1237 CD GLU A 73 24.361 1.245 12.363 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.345 2.472 12.136 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.094 0.756 13.483 1.00 25.00 O ATOM 0 H GLU A 73 22.760 -1.496 11.136 1.00 25.00 H new ATOM 0 HA GLU A 73 22.005 1.266 10.981 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.985 -0.308 9.287 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.970 1.424 9.551 1.00 25.00 H new ATOM 0 HG2 GLU A 73 24.621 -0.737 11.587 1.00 25.00 H new ATOM 0 HG3 GLU A 73 25.721 0.447 10.910 1.00 25.00 H new ATOM 1246 N LYS A 74 20.900 -0.774 8.772 1.00 25.00 N ATOM 1247 CA LYS A 74 20.103 -0.945 7.565 1.00 25.00 C ATOM 1248 C LYS A 74 18.629 -1.132 7.876 1.00 25.00 C ATOM 1249 O LYS A 74 17.780 -0.521 7.232 1.00 25.00 O ATOM 1250 CB LYS A 74 20.621 -2.155 6.805 1.00 25.00 C ATOM 1251 CG LYS A 74 20.183 -2.233 5.357 1.00 25.00 C ATOM 1252 CD LYS A 74 20.945 -1.247 4.488 1.00 25.00 C ATOM 1253 CE LYS A 74 20.635 -1.486 3.021 1.00 25.00 C ATOM 1254 NZ LYS A 74 21.481 -0.607 2.153 1.00 25.00 N ATOM 0 H LYS A 74 20.998 -1.621 9.332 1.00 25.00 H new ATOM 0 HA LYS A 74 20.197 -0.041 6.963 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.710 -2.149 6.840 1.00 25.00 H new ATOM 0 HB3 LYS A 74 20.290 -3.058 7.319 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.339 -3.245 4.983 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.114 -2.029 5.288 1.00 25.00 H new ATOM 0 HD2 LYS A 74 20.675 -0.227 4.762 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.016 -1.351 4.662 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.813 -2.532 2.772 1.00 25.00 H new ATOM 0 HE3 LYS A 74 19.580 -1.288 2.830 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 21.255 -0.785 1.154 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 21.291 0.390 2.379 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 22.486 -0.815 2.323 1.00 25.00 H new ATOM 1268 N VAL A 75 18.317 -1.962 8.864 1.00 25.00 N ATOM 1269 CA VAL A 75 16.922 -2.169 9.254 1.00 25.00 C ATOM 1270 C VAL A 75 16.759 -1.631 10.670 1.00 25.00 C ATOM 1271 O VAL A 75 17.513 -2.002 11.566 1.00 25.00 O ATOM 1272 CB VAL A 75 16.576 -3.693 9.240 1.00 25.00 C ATOM 1273 CG1 VAL A 75 15.110 -3.946 9.655 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.826 -4.280 7.854 1.00 25.00 C ATOM 0 H VAL A 75 18.997 -2.497 9.404 1.00 25.00 H new ATOM 0 HA VAL A 75 16.257 -1.658 8.558 1.00 25.00 H new ATOM 0 HB VAL A 75 17.225 -4.184 9.966 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.905 -5.016 9.634 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.946 -3.565 10.663 1.00 25.00 H new ATOM 0 HG13 VAL A 75 14.442 -3.435 8.961 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.581 -5.342 7.859 1.00 25.00 H new ATOM 0 HG22 VAL A 75 16.201 -3.767 7.123 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.875 -4.151 7.588 1.00 25.00 H new ATOM 1284 N PRO A 76 15.729 -0.803 10.915 1.00 25.00 N ATOM 1285 CA PRO A 76 15.624 -0.330 12.296 1.00 25.00 C ATOM 1286 C PRO A 76 14.979 -1.350 13.218 1.00 25.00 C ATOM 1287 O PRO A 76 14.071 -2.077 12.825 1.00 25.00 O ATOM 1288 CB PRO A 76 14.741 0.905 12.161 1.00 25.00 C ATOM 1289 CG PRO A 76 13.849 0.599 11.014 1.00 25.00 C ATOM 1290 CD PRO A 76 14.695 -0.201 10.048 1.00 25.00 C ATOM 0 HA PRO A 76 16.600 -0.137 12.741 1.00 25.00 H new ATOM 0 HB2 PRO A 76 14.169 1.086 13.071 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.335 1.800 11.974 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.977 0.030 11.336 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.480 1.513 10.549 1.00 25.00 H new ATOM 0 HD2 PRO A 76 14.108 -0.963 9.535 1.00 25.00 H new ATOM 0 HD3 PRO A 76 15.135 0.434 9.279 1.00 25.00 H new ATOM 1298 N VAL A 77 15.367 -1.340 14.483 1.00 25.00 N ATOM 1299 CA VAL A 77 14.747 -2.229 15.464 1.00 25.00 C ATOM 1300 C VAL A 77 13.276 -1.850 15.693 1.00 25.00 C ATOM 1301 O VAL A 77 12.469 -2.673 16.120 1.00 25.00 O ATOM 1302 CB VAL A 77 15.527 -2.229 16.809 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.941 -2.797 16.597 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.621 -0.811 17.404 1.00 25.00 C ATOM 0 H VAL A 77 16.099 -0.736 14.856 1.00 25.00 H new ATOM 0 HA VAL A 77 14.785 -3.240 15.058 1.00 25.00 H new ATOM 0 HB VAL A 77 14.981 -2.858 17.512 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.480 -2.793 17.544 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.871 -3.819 16.224 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.475 -2.182 15.873 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.172 -0.847 18.344 1.00 25.00 H new ATOM 0 HG22 VAL A 77 16.140 -0.156 16.704 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.618 -0.426 17.586 1.00 25.00 H new ATOM 1314 N THR A 78 12.901 -0.624 15.342 1.00 25.00 N ATOM 1315 CA THR A 78 11.505 -0.207 15.480 1.00 25.00 C ATOM 1316 C THR A 78 10.627 -0.868 14.430 1.00 25.00 C ATOM 1317 O THR A 78 9.425 -0.964 14.617 1.00 25.00 O ATOM 1318 CB THR A 78 11.324 1.336 15.417 1.00 25.00 C ATOM 1319 OG1 THR A 78 10.093 1.697 16.046 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.301 1.869 14.001 1.00 25.00 C ATOM 0 H THR A 78 13.528 0.088 14.967 1.00 25.00 H new ATOM 0 HA THR A 78 11.193 -0.534 16.472 1.00 25.00 H new ATOM 0 HB THR A 78 12.181 1.773 15.930 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.436 1.945 15.362 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.172 2.951 14.022 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.240 1.625 13.505 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.474 1.416 13.455 1.00 25.00 H new ATOM 1328 N ALA A 79 11.210 -1.375 13.349 1.00 25.00 N ATOM 1329 CA ALA A 79 10.407 -2.056 12.340 1.00 25.00 C ATOM 1330 C ALA A 79 9.775 -3.301 12.963 1.00 25.00 C ATOM 1331 O ALA A 79 8.622 -3.605 12.707 1.00 25.00 O ATOM 1332 CB ALA A 79 11.261 -2.426 11.136 1.00 25.00 C ATOM 0 H ALA A 79 12.210 -1.330 13.151 1.00 25.00 H new ATOM 0 HA ALA A 79 9.618 -1.389 11.992 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.644 -2.933 10.394 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.685 -1.522 10.699 1.00 25.00 H new ATOM 0 HB3 ALA A 79 12.067 -3.088 11.451 1.00 25.00 H new ATOM 1338 N PHE A 80 10.518 -3.976 13.828 1.00 25.00 N ATOM 1339 CA PHE A 80 10.011 -5.160 14.520 1.00 25.00 C ATOM 1340 C PHE A 80 8.972 -4.767 15.566 1.00 25.00 C ATOM 1341 O PHE A 80 8.019 -5.496 15.823 1.00 25.00 O ATOM 1342 CB PHE A 80 11.156 -5.896 15.217 1.00 25.00 C ATOM 1343 CG PHE A 80 12.245 -6.342 14.282 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.314 -5.479 13.969 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.224 -7.632 13.724 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.348 -5.891 13.102 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.258 -8.062 12.864 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.321 -7.188 12.549 1.00 25.00 C ATOM 0 H PHE A 80 11.477 -3.726 14.070 1.00 25.00 H new ATOM 0 HA PHE A 80 9.550 -5.811 13.777 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.586 -5.244 15.977 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.754 -6.767 15.735 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.342 -4.489 14.399 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.409 -8.301 13.955 1.00 25.00 H new ATOM 0 HE1 PHE A 80 15.157 -5.216 12.863 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.236 -9.058 12.448 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.111 -7.511 11.887 1.00 25.00 H new ATOM 1358 N SER A 81 9.152 -3.602 16.166 1.00 25.00 N ATOM 1359 CA SER A 81 8.224 -3.116 17.191 1.00 25.00 C ATOM 1360 C SER A 81 6.889 -2.773 16.540 1.00 25.00 C ATOM 1361 O SER A 81 5.827 -3.193 16.997 1.00 25.00 O ATOM 1362 CB SER A 81 8.800 -1.883 17.892 1.00 25.00 C ATOM 1363 OG SER A 81 7.945 -1.451 18.934 1.00 25.00 O ATOM 0 H SER A 81 9.929 -2.972 15.966 1.00 25.00 H new ATOM 0 HA SER A 81 8.075 -3.896 17.937 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.785 -2.116 18.297 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.935 -1.078 17.169 1.00 25.00 H new ATOM 0 HG SER A 81 8.332 -0.663 19.370 1.00 25.00 H new ATOM 1369 N TYR A 82 6.955 -2.069 15.421 1.00 25.00 N ATOM 1370 CA TYR A 82 5.764 -1.731 14.656 1.00 25.00 C ATOM 1371 C TYR A 82 5.111 -2.993 14.136 1.00 25.00 C ATOM 1372 O TYR A 82 3.899 -3.136 14.189 1.00 25.00 O ATOM 1373 CB TYR A 82 6.132 -0.835 13.480 1.00 25.00 C ATOM 1374 CG TYR A 82 5.954 0.628 13.786 1.00 25.00 C ATOM 1375 CD1 TYR A 82 7.002 1.395 14.345 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.723 1.255 13.527 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.816 2.770 14.638 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.532 2.636 13.809 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.582 3.379 14.361 1.00 25.00 C ATOM 1380 OH TYR A 82 5.397 4.709 14.644 1.00 25.00 O ATOM 0 H TYR A 82 7.825 -1.719 15.020 1.00 25.00 H new ATOM 0 HA TYR A 82 5.069 -1.202 15.308 1.00 25.00 H new ATOM 0 HB2 TYR A 82 7.169 -1.020 13.199 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.516 -1.100 12.620 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.954 0.929 14.551 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.911 0.680 13.108 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.620 3.346 15.072 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.584 3.108 13.599 1.00 25.00 H new ATOM 0 HH TYR A 82 4.488 4.974 14.391 1.00 25.00 H new ATOM 1390 N TRP A 83 5.921 -3.926 13.663 1.00 25.00 N ATOM 1391 CA TRP A 83 5.419 -5.190 13.148 1.00 25.00 C ATOM 1392 C TRP A 83 4.614 -5.932 14.207 1.00 25.00 C ATOM 1393 O TRP A 83 3.565 -6.505 13.912 1.00 25.00 O ATOM 1394 CB TRP A 83 6.603 -6.056 12.712 1.00 25.00 C ATOM 1395 CG TRP A 83 6.234 -7.431 12.275 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.742 -7.808 11.072 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.353 -8.653 13.038 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.531 -9.153 11.017 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.906 -9.712 12.201 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.804 -8.961 14.339 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.910 -11.056 12.617 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.820 -10.314 14.758 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.373 -11.350 13.885 1.00 25.00 C ATOM 0 H TRP A 83 6.936 -3.831 13.625 1.00 25.00 H new ATOM 0 HA TRP A 83 4.765 -4.986 12.301 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.122 -5.555 11.894 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.308 -6.128 13.540 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.542 -7.128 10.257 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.153 -9.660 10.217 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.132 -8.177 15.005 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.560 -11.839 11.961 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.174 -10.564 15.747 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.397 -12.377 14.219 1.00 25.00 H new ATOM 1414 N ASN A 84 5.090 -5.896 15.445 1.00 25.00 N ATOM 1415 CA ASN A 84 4.420 -6.578 16.552 1.00 25.00 C ATOM 1416 C ASN A 84 3.042 -5.991 16.858 1.00 25.00 C ATOM 1417 O ASN A 84 2.150 -6.715 17.293 1.00 25.00 O ATOM 1418 CB ASN A 84 5.284 -6.526 17.816 1.00 25.00 C ATOM 1419 CG ASN A 84 6.160 -7.742 17.966 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.688 -8.816 18.311 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.423 -7.595 17.700 1.00 25.00 N ATOM 0 H ASN A 84 5.941 -5.400 15.711 1.00 25.00 H new ATOM 0 HA ASN A 84 4.279 -7.612 16.238 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.909 -5.633 17.789 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.639 -6.437 18.690 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.056 -8.391 17.776 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.781 -6.684 17.415 1.00 25.00 H new ATOM 1428 N LEU A 85 2.858 -4.702 16.595 1.00 25.00 N ATOM 1429 CA LEU A 85 1.575 -4.030 16.842 1.00 25.00 C ATOM 1430 C LEU A 85 0.494 -4.632 15.948 1.00 25.00 C ATOM 1431 O LEU A 85 -0.632 -4.870 16.374 1.00 25.00 O ATOM 1432 CB LEU A 85 1.736 -2.522 16.568 1.00 25.00 C ATOM 1433 CG LEU A 85 0.603 -1.549 16.948 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.197 -0.142 17.057 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.545 -1.518 15.922 1.00 25.00 C ATOM 0 H LEU A 85 3.581 -4.094 16.209 1.00 25.00 H new ATOM 0 HA LEU A 85 1.275 -4.171 17.880 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.636 -2.192 17.087 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.922 -2.404 15.501 1.00 25.00 H new ATOM 0 HG LEU A 85 0.180 -1.894 17.891 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.412 0.565 17.326 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.972 -0.132 17.824 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.631 0.145 16.099 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.308 -0.813 16.251 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.158 -1.207 14.952 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.983 -2.512 15.836 1.00 25.00 H new ATOM 1447 N ILE A 86 0.842 -4.901 14.700 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.119 -5.493 13.774 1.00 25.00 C ATOM 1449 C ILE A 86 -0.158 -7.006 13.985 1.00 25.00 C ATOM 1450 O ILE A 86 -1.187 -7.650 13.797 1.00 25.00 O ATOM 1451 CB ILE A 86 0.227 -5.175 12.309 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.307 -3.656 12.104 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.832 -5.750 11.372 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.696 -3.184 11.757 1.00 25.00 C ATOM 0 H ILE A 86 1.766 -4.724 14.306 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.099 -5.061 13.979 1.00 25.00 H new ATOM 0 HB ILE A 86 1.192 -5.627 12.081 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.380 -3.365 11.309 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.026 -3.154 13.012 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.571 -5.515 10.340 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.880 -6.832 11.497 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.803 -5.314 11.609 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.690 -2.102 11.624 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.381 -3.447 12.563 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.022 -3.661 10.833 1.00 25.00 H new ATOM 1466 N LYS A 87 0.958 -7.571 14.420 1.00 25.00 N ATOM 1467 CA LYS A 87 1.040 -9.004 14.673 1.00 25.00 C ATOM 1468 C LYS A 87 -0.021 -9.414 15.668 1.00 25.00 C ATOM 1469 O LYS A 87 -0.794 -10.304 15.397 1.00 25.00 O ATOM 1470 CB LYS A 87 2.426 -9.358 15.212 1.00 25.00 C ATOM 1471 CG LYS A 87 2.708 -10.831 15.359 1.00 25.00 C ATOM 1472 CD LYS A 87 3.871 -11.025 16.324 1.00 25.00 C ATOM 1473 CE LYS A 87 3.374 -11.240 17.758 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.519 -11.351 18.727 1.00 25.00 N ATOM 0 H LYS A 87 1.821 -7.060 14.606 1.00 25.00 H new ATOM 0 HA LYS A 87 0.874 -9.540 13.738 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.176 -8.927 14.549 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.550 -8.883 16.185 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.823 -11.348 15.729 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.948 -11.266 14.389 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.467 -11.882 16.011 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.524 -10.153 16.290 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.729 -10.411 18.049 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.769 -12.146 17.803 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.148 -11.479 19.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.111 -12.167 18.473 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.091 -10.483 18.689 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.081 -8.749 16.809 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.057 -9.109 17.840 1.00 25.00 C ATOM 1490 C GLU A 88 -2.496 -8.822 17.397 1.00 25.00 C ATOM 1491 O GLU A 88 -3.442 -9.417 17.910 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.748 -8.359 19.140 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.878 -6.843 19.026 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.505 -6.117 20.302 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.419 -6.768 21.363 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.404 -4.868 20.264 1.00 25.00 O ATOM 0 H GLU A 88 0.525 -7.964 17.050 1.00 25.00 H new ATOM 0 HA GLU A 88 -0.975 -10.183 18.008 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.421 -8.714 19.921 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.266 -8.604 19.457 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.241 -6.490 18.215 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.904 -6.591 18.759 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.658 -7.921 16.438 1.00 25.00 N ATOM 1504 CA LEU A 89 -3.942 -7.510 15.970 1.00 25.00 C ATOM 1505 C LEU A 89 -4.535 -8.532 14.983 1.00 25.00 C ATOM 1506 O LEU A 89 -5.707 -8.885 15.090 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.737 -6.132 15.351 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.950 -5.522 14.713 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -6.082 -5.261 15.719 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.555 -4.220 14.012 1.00 25.00 C ATOM 0 H LEU A 89 -1.880 -7.458 15.967 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.671 -7.456 16.778 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.377 -5.455 16.126 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -2.951 -6.204 14.600 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.335 -6.238 13.987 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -6.934 -4.819 15.202 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -6.385 -6.202 16.178 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -5.732 -4.576 16.491 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.435 -3.775 13.548 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -4.140 -3.525 14.742 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -3.808 -4.431 13.246 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.724 -9.054 14.067 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.195 -10.097 13.140 1.00 25.00 C ATOM 1524 C ILE A 90 -4.321 -11.417 13.911 1.00 25.00 C ATOM 1525 O ILE A 90 -5.222 -12.213 13.663 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.218 -10.339 11.936 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.955 -9.051 11.144 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.807 -11.395 10.953 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.773 -9.196 10.156 1.00 25.00 C ATOM 0 H ILE A 90 -2.749 -8.781 13.941 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.148 -9.757 12.736 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.281 -10.696 12.365 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.854 -8.777 10.592 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.747 -8.237 11.838 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.114 -11.548 10.126 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.958 -12.338 11.479 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.762 -11.039 10.566 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.629 -8.257 9.621 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.866 -9.442 10.708 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.991 -9.991 9.442 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.420 -11.627 14.864 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.380 -12.857 15.673 1.00 25.00 C ATOM 1543 C ASP A 91 -4.701 -13.076 16.397 1.00 25.00 C ATOM 1544 O ASP A 91 -5.101 -14.201 16.644 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.233 -12.743 16.692 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.953 -14.032 17.434 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.166 -14.866 16.906 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.315 -14.101 18.633 1.00 25.00 O ATOM 0 H ASP A 91 -2.693 -10.953 15.104 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.213 -13.711 15.016 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.327 -12.428 16.174 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.475 -11.963 17.414 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.393 -11.983 16.702 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.670 -12.042 17.415 1.00 25.00 C ATOM 1555 C LYS A 92 -7.799 -11.377 16.635 1.00 25.00 C ATOM 1556 O LYS A 92 -8.728 -10.816 17.215 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.485 -11.434 18.790 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.408 -12.196 19.526 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.465 -11.974 20.984 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.486 -12.913 21.699 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.090 -12.849 21.121 1.00 25.00 N ATOM 0 H LYS A 92 -5.090 -11.038 16.466 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.972 -13.084 17.523 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.209 -10.383 18.703 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.421 -11.473 19.347 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.512 -13.261 19.318 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.430 -11.892 19.152 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.218 -10.937 21.212 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.478 -12.148 21.347 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.449 -12.655 22.757 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -4.856 -13.936 21.633 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -2.418 -13.279 21.788 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.063 -13.368 20.220 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -2.828 -11.856 20.957 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.729 -11.457 15.310 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.760 -10.862 14.441 1.00 25.00 C ATOM 1577 C LYS A 93 -10.127 -11.505 14.648 1.00 25.00 C ATOM 1578 O LYS A 93 -11.151 -10.890 14.401 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.354 -10.969 12.960 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.227 -12.407 12.419 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.680 -12.406 10.989 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.199 -13.796 10.550 1.00 25.00 C ATOM 1583 NZ LYS A 93 -8.303 -14.814 10.496 1.00 25.00 N ATOM 0 H LYS A 93 -6.975 -11.925 14.808 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.838 -9.811 14.719 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.089 -10.435 12.358 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.400 -10.460 12.823 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.567 -12.986 13.065 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.201 -12.895 12.440 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.455 -12.059 10.306 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.854 -11.699 10.919 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.736 -13.719 9.566 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.428 -14.141 11.239 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -7.916 -15.731 10.194 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -8.730 -14.913 11.439 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.028 -14.504 9.818 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.128 -12.741 15.118 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.356 -13.505 15.336 1.00 25.00 C ATOM 1599 C GLU A 94 -12.250 -12.934 16.443 1.00 25.00 C ATOM 1600 O GLU A 94 -13.461 -13.083 16.390 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.987 -14.962 15.637 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.977 -15.142 16.780 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.410 -16.548 16.821 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.844 -16.983 15.791 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.499 -17.203 17.876 1.00 25.00 O ATOM 0 H GLU A 94 -9.278 -13.249 15.361 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.947 -13.439 14.422 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.896 -15.510 15.883 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.578 -15.414 14.733 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.163 -14.426 16.661 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.462 -14.919 17.730 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.663 -12.230 17.403 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.436 -11.600 18.485 1.00 25.00 C ATOM 1614 C VAL A 95 -12.437 -10.084 18.306 1.00 25.00 C ATOM 1615 O VAL A 95 -12.863 -9.334 19.176 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.884 -11.987 19.894 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.084 -13.487 20.148 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.393 -11.632 20.031 1.00 25.00 C ATOM 0 H VAL A 95 -10.656 -12.077 17.461 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.460 -11.970 18.427 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.440 -11.415 20.636 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.695 -13.744 21.133 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.147 -13.725 20.104 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.552 -14.059 19.388 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.041 -11.915 21.023 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.820 -12.170 19.276 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.260 -10.559 19.891 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.965 -9.639 17.150 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.927 -8.215 16.819 1.00 25.00 C ATOM 1630 C ASN A 96 -12.658 -7.985 15.495 1.00 25.00 C ATOM 1631 O ASN A 96 -12.027 -7.846 14.447 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.476 -7.731 16.710 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.886 -7.370 18.042 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.056 -6.259 18.515 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.172 -8.280 18.638 1.00 25.00 N ATOM 0 H ASN A 96 -11.599 -10.247 16.417 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.420 -7.650 17.610 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.871 -8.511 16.248 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.435 -6.863 16.051 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.730 -8.076 19.534 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -9.054 -9.198 18.209 1.00 25.00 H new ATOM 1642 N PRO A 97 -14.001 -7.899 15.520 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.689 -7.707 14.235 1.00 25.00 C ATOM 1644 C PRO A 97 -14.386 -6.362 13.569 1.00 25.00 C ATOM 1645 O PRO A 97 -14.556 -6.204 12.364 1.00 25.00 O ATOM 1646 CB PRO A 97 -16.168 -7.827 14.617 1.00 25.00 C ATOM 1647 CG PRO A 97 -16.217 -7.393 16.038 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.964 -7.977 16.638 1.00 25.00 C ATOM 0 HA PRO A 97 -14.365 -8.433 13.489 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.794 -7.196 13.987 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.527 -8.850 14.501 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -16.232 -6.306 16.124 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -17.111 -7.765 16.539 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.626 -7.407 17.504 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -15.115 -9.004 16.971 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.872 -5.415 14.346 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.498 -4.108 13.823 1.00 25.00 C ATOM 1658 C GLN A 98 -12.378 -4.282 12.810 1.00 25.00 C ATOM 1659 O GLN A 98 -12.397 -3.690 11.732 1.00 25.00 O ATOM 1660 CB GLN A 98 -13.025 -3.208 14.975 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.767 -1.754 14.583 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.009 -1.046 14.081 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -13.998 -0.448 13.026 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.072 -1.105 14.836 1.00 25.00 N ATOM 0 H GLN A 98 -13.705 -5.530 15.346 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.358 -3.643 13.340 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.774 -3.229 15.766 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -12.109 -3.626 15.392 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.372 -1.216 15.445 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.000 -1.723 13.809 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.044 -1.618 15.717 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.931 -0.638 14.545 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.400 -5.110 13.157 1.00 25.00 N ATOM 1674 CA VAL A 99 -10.290 -5.351 12.254 1.00 25.00 C ATOM 1675 C VAL A 99 -10.632 -6.440 11.249 1.00 25.00 C ATOM 1676 O VAL A 99 -10.085 -6.448 10.177 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.949 -5.652 12.995 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.835 -7.118 13.419 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.765 -5.278 12.097 1.00 25.00 C ATOM 0 H VAL A 99 -11.355 -5.616 14.041 1.00 25.00 H new ATOM 0 HA VAL A 99 -10.126 -4.422 11.708 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.935 -5.048 13.903 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.885 -7.276 13.930 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.655 -7.367 14.092 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.883 -7.757 12.537 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.832 -5.490 12.619 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.807 -5.862 11.177 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.813 -4.216 11.855 1.00 25.00 H new ATOM 1689 N MET A 100 -11.549 -7.344 11.568 1.00 25.00 N ATOM 1690 CA MET A 100 -11.915 -8.412 10.629 1.00 25.00 C ATOM 1691 C MET A 100 -12.429 -7.824 9.315 1.00 25.00 C ATOM 1692 O MET A 100 -12.063 -8.285 8.234 1.00 25.00 O ATOM 1693 CB MET A 100 -12.964 -9.329 11.259 1.00 25.00 C ATOM 1694 CG MET A 100 -13.415 -10.478 10.366 1.00 25.00 C ATOM 1695 SD MET A 100 -14.873 -10.022 9.396 1.00 25.00 S ATOM 1696 CE MET A 100 -14.492 -10.759 7.797 1.00 25.00 C ATOM 0 H MET A 100 -12.051 -7.366 12.456 1.00 25.00 H new ATOM 0 HA MET A 100 -11.025 -9.002 10.408 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.560 -9.741 12.184 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.835 -8.732 11.530 1.00 25.00 H new ATOM 0 HG2 MET A 100 -12.603 -10.761 9.696 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.641 -11.351 10.979 1.00 25.00 H new ATOM 0 HE1 MET A 100 -15.305 -10.557 7.100 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.567 -10.331 7.410 1.00 25.00 H new ATOM 0 HE3 MET A 100 -14.372 -11.836 7.912 1.00 25.00 H new ATOM 1706 N ALA A 101 -13.201 -6.752 9.401 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.656 -6.065 8.200 1.00 25.00 C ATOM 1708 C ALA A 101 -12.457 -5.491 7.426 1.00 25.00 C ATOM 1709 O ALA A 101 -12.448 -5.476 6.201 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.630 -4.951 8.582 1.00 25.00 C ATOM 0 H ALA A 101 -13.523 -6.342 10.278 1.00 25.00 H new ATOM 0 HA ALA A 101 -14.170 -6.777 7.554 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.969 -4.439 7.681 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.488 -5.380 9.100 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -14.129 -4.239 9.238 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.441 -5.038 8.148 1.00 25.00 N ATOM 1717 CA ALA A 102 -10.264 -4.441 7.534 1.00 25.00 C ATOM 1718 C ALA A 102 -9.369 -5.520 6.917 1.00 25.00 C ATOM 1719 O ALA A 102 -8.688 -5.264 5.944 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.486 -3.622 8.572 1.00 25.00 C ATOM 0 H ALA A 102 -11.409 -5.073 9.167 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.589 -3.774 6.735 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.607 -3.180 8.102 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -10.125 -2.831 8.964 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -9.172 -4.273 9.388 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.393 -6.725 7.466 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.622 -7.852 6.923 1.00 25.00 C ATOM 1728 C VAL A 103 -9.115 -8.106 5.505 1.00 25.00 C ATOM 1729 O VAL A 103 -8.324 -8.166 4.566 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.824 -9.127 7.818 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -8.260 -10.395 7.181 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -8.170 -8.910 9.192 1.00 25.00 C ATOM 0 H VAL A 103 -9.941 -6.957 8.295 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.557 -7.621 6.914 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.899 -9.270 7.926 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.429 -11.242 7.846 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.758 -10.576 6.228 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -7.190 -10.273 7.014 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -8.314 -9.798 9.808 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -7.103 -8.727 9.062 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.629 -8.051 9.682 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.429 -8.185 5.349 1.00 25.00 N ATOM 1743 CA ALA A 104 -11.026 -8.414 4.039 1.00 25.00 C ATOM 1744 C ALA A 104 -10.780 -7.222 3.109 1.00 25.00 C ATOM 1745 O ALA A 104 -10.444 -7.390 1.944 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.525 -8.677 4.200 1.00 25.00 C ATOM 0 H ALA A 104 -11.101 -8.094 6.111 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.558 -9.287 3.585 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.972 -8.848 3.221 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.675 -9.557 4.826 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.998 -7.814 4.668 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.921 -6.012 3.633 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.692 -4.814 2.827 1.00 25.00 C ATOM 1754 C GLN A 105 -9.247 -4.735 2.346 1.00 25.00 C ATOM 1755 O GLN A 105 -8.998 -4.316 1.225 1.00 25.00 O ATOM 1756 CB GLN A 105 -11.000 -3.558 3.638 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.487 -3.281 3.840 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.723 -2.148 4.820 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.831 -1.752 5.550 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.914 -1.613 4.823 1.00 25.00 N ATOM 0 H GLN A 105 -11.189 -5.832 4.600 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.355 -4.876 1.964 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.524 -3.646 4.615 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.548 -2.700 3.140 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.944 -3.033 2.882 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.978 -4.184 4.203 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.636 -1.971 4.197 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -14.123 -0.837 5.451 1.00 25.00 H new ATOM 1769 N THR A 106 -8.298 -5.122 3.187 1.00 25.00 N ATOM 1770 CA THR A 106 -6.887 -5.049 2.815 1.00 25.00 C ATOM 1771 C THR A 106 -6.638 -5.980 1.645 1.00 25.00 C ATOM 1772 O THR A 106 -5.998 -5.592 0.685 1.00 25.00 O ATOM 1773 CB THR A 106 -5.942 -5.454 3.970 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.232 -4.686 5.134 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.500 -5.192 3.617 1.00 25.00 C ATOM 0 H THR A 106 -8.474 -5.487 4.123 1.00 25.00 H new ATOM 0 HA THR A 106 -6.674 -4.011 2.558 1.00 25.00 H new ATOM 0 HB THR A 106 -6.097 -6.518 4.149 1.00 25.00 H new ATOM 0 HG1 THR A 106 -7.043 -5.033 5.561 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.862 -5.488 4.450 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.232 -5.769 2.732 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.362 -4.130 3.414 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.175 -7.192 1.701 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.004 -8.137 0.596 1.00 25.00 C ATOM 1785 C GLU A 107 -7.536 -7.568 -0.709 1.00 25.00 C ATOM 1786 O GLU A 107 -6.868 -7.637 -1.730 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.729 -9.448 0.877 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.094 -10.267 1.957 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.716 -11.645 2.092 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.575 -12.021 1.262 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.299 -12.376 3.021 1.00 25.00 O ATOM 0 H GLU A 107 -7.725 -7.544 2.485 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.933 -8.319 0.505 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.760 -9.230 1.157 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.765 -10.037 -0.040 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.029 -10.373 1.748 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.182 -9.739 2.907 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.729 -6.997 -0.684 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.329 -6.450 -1.901 1.00 25.00 C ATOM 1800 C GLU A 108 -8.515 -5.283 -2.456 1.00 25.00 C ATOM 1801 O GLU A 108 -8.356 -5.145 -3.664 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.768 -6.008 -1.628 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.697 -7.172 -1.297 1.00 25.00 C ATOM 1804 CD GLU A 108 -11.733 -8.207 -2.409 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.320 -7.921 -3.470 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -11.136 -9.297 -2.236 1.00 25.00 O ATOM 0 H GLU A 108 -9.301 -6.898 0.155 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.332 -7.239 -2.653 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.774 -5.299 -0.800 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.152 -5.481 -2.501 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.369 -7.646 -0.372 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.704 -6.793 -1.122 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.969 -4.459 -1.577 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.146 -3.330 -2.008 1.00 25.00 C ATOM 1815 C ILE A 109 -5.823 -3.849 -2.571 1.00 25.00 C ATOM 1816 O ILE A 109 -5.352 -3.353 -3.584 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.911 -2.327 -0.842 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.263 -1.683 -0.462 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.891 -1.221 -1.249 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.279 -1.000 0.898 1.00 25.00 C ATOM 0 H ILE A 109 -8.077 -4.545 -0.566 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.673 -2.788 -2.793 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.496 -2.864 0.011 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.529 -0.951 -1.225 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.034 -2.453 -0.476 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.746 -0.535 -0.415 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.938 -1.682 -1.508 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.274 -0.671 -2.109 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.267 -0.577 1.081 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.047 -1.729 1.674 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.534 -0.204 0.914 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.261 -4.881 -1.960 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.016 -5.485 -2.451 1.00 25.00 C ATOM 1834 C LEU A 110 -4.217 -6.097 -3.833 1.00 25.00 C ATOM 1835 O LEU A 110 -3.361 -5.970 -4.698 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.523 -6.566 -1.481 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.444 -6.147 -0.466 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.722 -4.810 0.239 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.300 -7.260 0.577 1.00 25.00 C ATOM 0 H LEU A 110 -5.642 -5.323 -1.123 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.268 -4.695 -2.520 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.383 -6.943 -0.927 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.133 -7.397 -2.068 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.522 -5.996 -1.028 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.913 -4.591 0.936 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.787 -4.014 -0.503 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.663 -4.875 0.784 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.539 -6.980 1.305 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.253 -7.407 1.086 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.006 -8.186 0.083 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.365 -6.722 -4.051 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.691 -7.310 -5.357 1.00 25.00 C ATOM 1853 C LYS A 111 -5.869 -6.212 -6.408 1.00 25.00 C ATOM 1854 O LYS A 111 -5.619 -6.417 -7.588 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.952 -8.150 -5.246 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.725 -9.413 -4.423 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.027 -9.907 -3.884 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.817 -10.920 -2.759 1.00 25.00 C ATOM 1859 NZ LYS A 111 -9.103 -11.259 -2.043 1.00 25.00 N ATOM 0 H LYS A 111 -6.091 -6.839 -3.345 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.868 -7.952 -5.670 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.744 -7.557 -4.789 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.294 -8.424 -6.244 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.262 -10.182 -5.041 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.037 -9.205 -3.603 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.612 -9.065 -3.513 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.604 -10.367 -4.687 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.382 -11.831 -3.170 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.100 -10.520 -2.042 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.894 -11.517 -1.057 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.737 -10.435 -2.059 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.565 -12.060 -2.520 1.00 25.00 H new ATOM 1873 N SER A 112 -6.318 -5.051 -5.956 1.00 25.00 N ATOM 1874 CA SER A 112 -6.535 -3.886 -6.818 1.00 25.00 C ATOM 1875 C SER A 112 -5.281 -3.058 -7.084 1.00 25.00 C ATOM 1876 O SER A 112 -5.289 -2.162 -7.933 1.00 25.00 O ATOM 1877 CB SER A 112 -7.553 -2.971 -6.154 1.00 25.00 C ATOM 1878 OG SER A 112 -8.066 -2.018 -7.071 1.00 25.00 O ATOM 0 H SER A 112 -6.545 -4.884 -4.976 1.00 25.00 H new ATOM 0 HA SER A 112 -6.874 -4.279 -7.776 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.371 -3.567 -5.750 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.088 -2.456 -5.313 1.00 25.00 H new ATOM 0 HG SER A 112 -7.383 -1.809 -7.742 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.251 -3.268 -6.281 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.044 -2.435 -6.346 1.00 25.00 C ATOM 1886 C ASN A 113 -2.311 -2.574 -7.676 1.00 25.00 C ATOM 1887 O ASN A 113 -2.265 -3.638 -8.286 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.055 -2.774 -5.210 1.00 25.00 C ATOM 1889 CG ASN A 113 -2.439 -2.163 -3.868 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -3.142 -1.060 -3.889 1.00 25.00 O flip ATOM 1891 ND2 ASN A 113 -2.048 -2.661 -2.823 1.00 25.00 N flip ATOM 0 H ASN A 113 -4.219 -4.004 -5.576 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.394 -1.408 -6.238 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -1.994 -3.857 -5.103 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.061 -2.425 -5.488 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -1.502 -3.522 -2.842 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.268 -2.216 -1.932 1.00 25.00 H new ATOM 1898 N SER A 114 -1.700 -1.477 -8.095 1.00 25.00 N ATOM 1899 CA SER A 114 -0.900 -1.441 -9.292 1.00 25.00 C ATOM 1900 C SER A 114 0.448 -2.083 -9.004 1.00 25.00 C ATOM 1901 O SER A 114 0.859 -2.239 -7.855 1.00 25.00 O ATOM 1902 CB SER A 114 -0.709 0.017 -9.711 1.00 25.00 C ATOM 1903 OG SER A 114 -0.345 0.801 -8.586 1.00 25.00 O ATOM 0 H SER A 114 -1.751 -0.584 -7.605 1.00 25.00 H new ATOM 0 HA SER A 114 -1.392 -1.987 -10.097 1.00 25.00 H new ATOM 0 HB2 SER A 114 0.063 0.086 -10.478 1.00 25.00 H new ATOM 0 HB3 SER A 114 -1.630 0.401 -10.150 1.00 25.00 H new ATOM 0 HG SER A 114 0.617 0.986 -8.614 1.00 25.00 H new ATOM 1909 N GLN A 115 1.143 -2.417 -10.078 1.00 25.00 N ATOM 1910 CA GLN A 115 2.466 -3.043 -10.006 1.00 25.00 C ATOM 1911 C GLN A 115 3.455 -2.170 -9.226 1.00 25.00 C ATOM 1912 O GLN A 115 4.297 -2.676 -8.488 1.00 25.00 O ATOM 1913 CB GLN A 115 2.985 -3.282 -11.428 1.00 25.00 C ATOM 1914 CG GLN A 115 4.257 -4.123 -11.494 1.00 25.00 C ATOM 1915 CD GLN A 115 4.682 -4.402 -12.919 1.00 25.00 C ATOM 1916 OE1 GLN A 115 4.702 -3.517 -13.756 1.00 25.00 O ATOM 1917 NE2 GLN A 115 5.010 -5.636 -13.202 1.00 25.00 N ATOM 0 H GLN A 115 0.811 -2.264 -11.030 1.00 25.00 H new ATOM 0 HA GLN A 115 2.374 -3.992 -9.478 1.00 25.00 H new ATOM 0 HB2 GLN A 115 2.206 -3.775 -12.010 1.00 25.00 H new ATOM 0 HB3 GLN A 115 3.174 -2.318 -11.901 1.00 25.00 H new ATOM 0 HG2 GLN A 115 5.061 -3.605 -10.971 1.00 25.00 H new ATOM 0 HG3 GLN A 115 4.094 -5.067 -10.973 1.00 25.00 H new ATOM 0 HE21 GLN A 115 4.981 -6.351 -12.475 1.00 25.00 H new ATOM 0 HE22 GLN A 115 5.294 -5.884 -14.150 1.00 25.00 H new ATOM 1926 N THR A 116 3.329 -0.860 -9.373 1.00 25.00 N ATOM 1927 CA THR A 116 4.150 0.083 -8.625 1.00 25.00 C ATOM 1928 C THR A 116 3.244 1.218 -8.166 1.00 25.00 C ATOM 1929 O THR A 116 2.283 1.573 -8.855 1.00 25.00 O ATOM 1930 CB THR A 116 5.350 0.602 -9.467 1.00 25.00 C ATOM 1931 OG1 THR A 116 6.130 1.502 -8.679 1.00 25.00 O ATOM 1932 CG2 THR A 116 4.901 1.331 -10.732 1.00 25.00 C ATOM 0 H THR A 116 2.661 -0.422 -10.008 1.00 25.00 H new ATOM 0 HA THR A 116 4.593 -0.412 -7.761 1.00 25.00 H new ATOM 0 HB THR A 116 5.934 -0.268 -9.765 1.00 25.00 H new ATOM 0 HG1 THR A 116 6.887 1.828 -9.208 1.00 25.00 H new ATOM 0 HG21 THR A 116 5.776 1.674 -11.284 1.00 25.00 H new ATOM 0 HG22 THR A 116 4.320 0.652 -11.357 1.00 25.00 H new ATOM 0 HG23 THR A 116 4.286 2.188 -10.459 1.00 25.00 H new ATOM 1940 N ASP A 117 3.495 1.701 -6.960 1.00 25.00 N ATOM 1941 CA ASP A 117 2.643 2.691 -6.291 1.00 25.00 C ATOM 1942 C ASP A 117 3.470 3.725 -5.519 1.00 25.00 C ATOM 1943 O ASP A 117 2.946 4.458 -4.681 1.00 25.00 O ATOM 1944 CB ASP A 117 1.711 1.970 -5.302 1.00 25.00 C ATOM 1945 CG ASP A 117 2.469 1.308 -4.139 1.00 25.00 C ATOM 1946 OD1 ASP A 117 3.661 0.927 -4.304 1.00 25.00 O ATOM 1947 OD2 ASP A 117 1.836 1.065 -3.094 1.00 25.00 O ATOM 0 H ASP A 117 4.303 1.418 -6.406 1.00 25.00 H new ATOM 0 HA ASP A 117 2.071 3.212 -7.059 1.00 25.00 H new ATOM 0 HB2 ASP A 117 0.993 2.685 -4.901 1.00 25.00 H new ATOM 0 HB3 ASP A 117 1.140 1.210 -5.836 1.00 25.00 H new ATOM 1952 N LEU A 118 4.773 3.744 -5.758 1.00 25.00 N ATOM 1953 CA LEU A 118 5.665 4.623 -5.001 1.00 25.00 C ATOM 1954 C LEU A 118 5.604 6.076 -5.480 1.00 25.00 C ATOM 1955 O LEU A 118 5.266 6.361 -6.626 1.00 25.00 O ATOM 1956 CB LEU A 118 7.112 4.087 -5.029 1.00 25.00 C ATOM 1957 CG LEU A 118 7.739 3.598 -6.353 1.00 25.00 C ATOM 1958 CD1 LEU A 118 8.004 4.713 -7.367 1.00 25.00 C ATOM 1959 CD2 LEU A 118 9.058 2.894 -6.032 1.00 25.00 C ATOM 0 H LEU A 118 5.237 3.169 -6.461 1.00 25.00 H new ATOM 0 HA LEU A 118 5.314 4.622 -3.969 1.00 25.00 H new ATOM 0 HB2 LEU A 118 7.755 4.876 -4.640 1.00 25.00 H new ATOM 0 HB3 LEU A 118 7.162 3.258 -4.323 1.00 25.00 H new ATOM 0 HG LEU A 118 7.016 2.927 -6.817 1.00 25.00 H new ATOM 0 HD11 LEU A 118 8.444 4.288 -8.269 1.00 25.00 H new ATOM 0 HD12 LEU A 118 7.065 5.206 -7.619 1.00 25.00 H new ATOM 0 HD13 LEU A 118 8.691 5.441 -6.936 1.00 25.00 H new ATOM 0 HD21 LEU A 118 9.516 2.541 -6.956 1.00 25.00 H new ATOM 0 HD22 LEU A 118 9.732 3.593 -5.536 1.00 25.00 H new ATOM 0 HD23 LEU A 118 8.867 2.046 -5.375 1.00 25.00 H new ATOM 1971 N GLU A 119 5.948 6.994 -4.588 1.00 25.00 N ATOM 1972 CA GLU A 119 5.969 8.417 -4.910 1.00 25.00 C ATOM 1973 C GLU A 119 7.046 9.105 -4.066 1.00 25.00 C ATOM 1974 O GLU A 119 7.284 8.727 -2.921 1.00 25.00 O ATOM 1975 CB GLU A 119 4.597 9.048 -4.624 1.00 25.00 C ATOM 1976 CG GLU A 119 4.139 10.057 -5.685 1.00 25.00 C ATOM 1977 CD GLU A 119 5.110 11.213 -5.843 1.00 25.00 C ATOM 1978 OE1 GLU A 119 5.057 12.162 -5.034 1.00 25.00 O ATOM 1979 OE2 GLU A 119 6.021 11.122 -6.697 1.00 25.00 O ATOM 0 H GLU A 119 6.218 6.778 -3.628 1.00 25.00 H new ATOM 0 HA GLU A 119 6.194 8.545 -5.969 1.00 25.00 H new ATOM 0 HB2 GLU A 119 3.853 8.255 -4.547 1.00 25.00 H new ATOM 0 HB3 GLU A 119 4.633 9.547 -3.655 1.00 25.00 H new ATOM 0 HG2 GLU A 119 4.026 9.548 -6.642 1.00 25.00 H new ATOM 0 HG3 GLU A 119 3.157 10.445 -5.413 1.00 25.00 H new ATOM 1986 N HIS A 120 7.677 10.133 -4.618 1.00 25.00 N ATOM 1987 CA HIS A 120 8.736 10.886 -3.923 1.00 25.00 C ATOM 1988 C HIS A 120 8.176 11.938 -2.944 1.00 25.00 C ATOM 1989 O HIS A 120 8.840 12.924 -2.623 1.00 25.00 O ATOM 1990 CB HIS A 120 9.674 11.542 -4.961 1.00 25.00 C ATOM 1991 CG HIS A 120 9.165 12.838 -5.528 1.00 25.00 C ATOM 1992 ND1 HIS A 120 7.992 12.965 -6.280 1.00 25.00 N ATOM 1993 CD2 HIS A 120 9.668 14.102 -5.468 1.00 25.00 C ATOM 1994 CE1 HIS A 120 7.836 14.234 -6.624 1.00 25.00 C ATOM 1995 NE2 HIS A 120 8.834 14.932 -6.152 1.00 25.00 N ATOM 0 H HIS A 120 7.476 10.475 -5.558 1.00 25.00 H new ATOM 0 HA HIS A 120 9.301 10.177 -3.318 1.00 25.00 H new ATOM 0 HB2 HIS A 120 10.643 11.719 -4.495 1.00 25.00 H new ATOM 0 HB3 HIS A 120 9.837 10.841 -5.779 1.00 25.00 H new ATOM 0 HD1 HIS A 120 7.359 12.203 -6.524 1.00 25.00 H new ATOM 0 HD2 HIS A 120 10.576 14.396 -4.963 1.00 25.00 H new ATOM 0 HE1 HIS A 120 7.014 14.629 -7.203 1.00 25.00 H new ATOM 2003 N HIS A 121 6.950 11.717 -2.488 1.00 25.00 N ATOM 2004 CA HIS A 121 6.169 12.668 -1.670 1.00 25.00 C ATOM 2005 C HIS A 121 6.658 12.947 -0.226 1.00 25.00 C ATOM 2006 O HIS A 121 5.853 13.199 0.681 1.00 25.00 O ATOM 2007 CB HIS A 121 4.726 12.149 -1.630 1.00 25.00 C ATOM 2008 CG HIS A 121 3.702 13.201 -1.914 1.00 25.00 C ATOM 2009 ND1 HIS A 121 3.210 14.084 -0.952 1.00 25.00 N ATOM 2010 CD2 HIS A 121 3.051 13.538 -3.058 1.00 25.00 C ATOM 2011 CE1 HIS A 121 2.310 14.879 -1.522 1.00 25.00 C ATOM 2012 NE2 HIS A 121 2.202 14.565 -2.787 1.00 25.00 N ATOM 0 H HIS A 121 6.447 10.850 -2.676 1.00 25.00 H new ATOM 0 HA HIS A 121 6.286 13.636 -2.158 1.00 25.00 H new ATOM 0 HB2 HIS A 121 4.618 11.344 -2.357 1.00 25.00 H new ATOM 0 HB3 HIS A 121 4.530 11.720 -0.647 1.00 25.00 H new ATOM 0 HD2 HIS A 121 3.185 13.069 -4.021 1.00 25.00 H new ATOM 0 HE1 HIS A 121 1.757 15.659 -1.021 1.00 25.00 H new ATOM 0 HE2 HIS A 121 1.583 15.016 -3.460 1.00 25.00 H new ATOM 2020 N HIS A 122 7.964 12.913 -0.013 1.00 25.00 N ATOM 2021 CA HIS A 122 8.558 13.157 1.298 1.00 25.00 C ATOM 2022 C HIS A 122 8.345 14.614 1.735 1.00 25.00 C ATOM 2023 O HIS A 122 8.351 15.520 0.917 1.00 25.00 O ATOM 2024 CB HIS A 122 10.059 12.852 1.231 1.00 25.00 C ATOM 2025 CG HIS A 122 10.728 12.801 2.571 1.00 25.00 C ATOM 2026 ND1 HIS A 122 12.033 13.160 2.798 1.00 25.00 N ATOM 2027 CD2 HIS A 122 10.255 12.405 3.785 1.00 25.00 C ATOM 2028 CE1 HIS A 122 12.295 12.980 4.088 1.00 25.00 C ATOM 2029 NE2 HIS A 122 11.239 12.535 4.741 1.00 25.00 N ATOM 0 H HIS A 122 8.646 12.715 -0.745 1.00 25.00 H new ATOM 0 HA HIS A 122 8.076 12.509 2.029 1.00 25.00 H new ATOM 0 HB2 HIS A 122 10.204 11.896 0.727 1.00 25.00 H new ATOM 0 HB3 HIS A 122 10.547 13.612 0.621 1.00 25.00 H new ATOM 0 HD1 HIS A 122 12.689 13.505 2.097 1.00 25.00 H new ATOM 0 HD2 HIS A 122 9.255 12.042 3.971 1.00 25.00 H new ATOM 0 HE1 HIS A 122 13.254 13.174 4.545 1.00 25.00 H new ATOM 2037 N HIS A 123 8.173 14.827 3.037 1.00 25.00 N ATOM 2038 CA HIS A 123 7.938 16.168 3.593 1.00 25.00 C ATOM 2039 C HIS A 123 8.908 16.504 4.727 1.00 25.00 C ATOM 2040 O HIS A 123 8.578 17.307 5.591 1.00 25.00 O ATOM 2041 CB HIS A 123 6.496 16.245 4.125 1.00 25.00 C ATOM 2042 CG HIS A 123 6.216 15.289 5.249 1.00 25.00 C ATOM 2043 ND1 HIS A 123 6.671 15.478 6.561 1.00 25.00 N ATOM 2044 CD2 HIS A 123 5.520 14.121 5.294 1.00 25.00 C ATOM 2045 CE1 HIS A 123 6.261 14.463 7.307 1.00 25.00 C ATOM 2046 NE2 HIS A 123 5.564 13.639 6.567 1.00 25.00 N ATOM 0 H HIS A 123 8.191 14.085 3.736 1.00 25.00 H new ATOM 0 HA HIS A 123 8.099 16.892 2.794 1.00 25.00 H new ATOM 0 HB2 HIS A 123 6.298 17.261 4.466 1.00 25.00 H new ATOM 0 HB3 HIS A 123 5.805 16.043 3.307 1.00 25.00 H new ATOM 0 HD1 HIS A 123 7.227 16.268 6.888 1.00 25.00 H new ATOM 0 HD2 HIS A 123 5.017 13.654 4.460 1.00 25.00 H new ATOM 0 HE1 HIS A 123 6.469 14.336 8.359 1.00 25.00 H new ATOM 2054 N HIS A 124 10.039 15.802 4.763 1.00 25.00 N ATOM 2055 CA HIS A 124 10.971 15.801 5.914 1.00 25.00 C ATOM 2056 C HIS A 124 10.274 15.226 7.157 1.00 25.00 C ATOM 2057 O HIS A 124 9.579 15.926 7.885 1.00 25.00 O ATOM 2058 CB HIS A 124 11.567 17.200 6.203 1.00 25.00 C ATOM 2059 CG HIS A 124 12.642 17.200 7.251 1.00 25.00 C ATOM 2060 ND1 HIS A 124 13.132 16.216 8.058 1.00 25.00 N flip ATOM 2061 CD2 HIS A 124 13.375 18.339 7.606 1.00 25.00 C flip ATOM 2062 CE1 HIS A 124 14.100 16.744 8.851 1.00 25.00 C flip ATOM 2063 NE2 HIS A 124 14.233 18.013 8.568 1.00 25.00 N flip ATOM 0 H HIS A 124 10.347 15.209 3.992 1.00 25.00 H new ATOM 0 HA HIS A 124 11.813 15.161 5.650 1.00 25.00 H new ATOM 0 HB2 HIS A 124 11.975 17.608 5.278 1.00 25.00 H new ATOM 0 HB3 HIS A 124 10.765 17.867 6.519 1.00 25.00 H new ATOM 0 HD1 HIS A 124 12.823 15.244 8.065 1.00 25.00 H new ATOM 0 HD2 HIS A 124 13.262 19.321 7.170 1.00 25.00 H new ATOM 0 HE1 HIS A 124 14.667 16.203 9.594 1.00 25.00 H new ATOM 2071 N HIS A 125 10.448 13.930 7.370 1.00 25.00 N ATOM 2072 CA HIS A 125 9.987 13.289 8.600 1.00 25.00 C ATOM 2073 C HIS A 125 11.042 13.624 9.639 1.00 25.00 C ATOM 2074 O HIS A 125 10.685 13.967 10.774 1.00 25.00 O ATOM 2075 CB HIS A 125 9.888 11.766 8.441 1.00 25.00 C ATOM 2076 CG HIS A 125 9.518 11.056 9.710 1.00 25.00 C ATOM 2077 ND1 HIS A 125 10.214 10.847 10.860 1.00 25.00 N flip ATOM 2078 CD2 HIS A 125 8.275 10.451 9.937 1.00 25.00 C flip ATOM 2079 CE1 HIS A 125 9.425 10.157 11.726 1.00 25.00 C flip ATOM 2080 NE2 HIS A 125 8.270 9.930 11.157 1.00 25.00 N flip ATOM 2081 OXT HIS A 125 12.229 13.540 9.270 1.00 25.00 O ATOM 0 H HIS A 125 10.904 13.300 6.710 1.00 25.00 H new ATOM 0 HA HIS A 125 8.992 13.640 8.874 1.00 25.00 H new ATOM 0 HB2 HIS A 125 9.147 11.536 7.676 1.00 25.00 H new ATOM 0 HB3 HIS A 125 10.844 11.383 8.085 1.00 25.00 H new ATOM 0 HD2 HIS A 125 7.456 10.415 9.234 1.00 25.00 H new ATOM 0 HE1 HIS A 125 9.706 9.847 12.722 1.00 25.00 H new ATOM 0 HE2 HIS A 125 7.489 9.431 11.583 1.00 25.00 H new TER 2089 HIS A 125