USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -0.0471 K(o=2.3,f=0.91) USER MOD Set 1.2: A 67 TYR OH : rot -126:sc= 1.12 USER MOD Set 1.3: A 78 THR OG1 : rot 70:sc= 1.28 USER MOD Set 2.1: A 49 THR OG1 : rot -108:sc= 0.954 USER MOD Set 2.2: A 105 HEC O2D : rot 81:sc= -0.199 USER MOD Set 3.1: A 26 HIS : no HE2:sc= -0.456 K(o=-1.1,f=-0.33) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.659 K(o=-1.1,f=0.21) USER MOD Set 3.3: A 33 HIS : no HD1:sc=-0.00629 K(o=-1.1,f=0.21) USER MOD Single : A 1 GLY N :NH3+ -169:sc= -0.551 (180deg=-1.45!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.18) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.13 (180deg=0.912) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 60:sc= -0.109 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 1.01 (180deg=0.999) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc=-0.00874 (180deg=-0.0516) USER MOD Single : A 40 THR OG1 : rot -104:sc= 1.35 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 47 THR OG1 : rot -49:sc= 0.0524 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.338 K(o=-0.34,f=-0.96) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= -0.0153 (180deg=-0.915) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.369) USER MOD Single : A 63 THR OG1 : rot 90:sc= -0.0713 USER MOD Single : A 65 MET CE :methyl -137:sc= 0 (180deg=-0.0428) USER MOD Single : A 70 ASN : amide:sc= -0.87 K(o=-0.87,f=-3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -30:sc=-0.00627 USER MOD Single : A 79 LYS NZ :NH3+ 163:sc=-0.00091 (180deg=-0.466) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.29 (180deg=-0.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -40:sc= 1.09 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 105 HEC O2A : rot -130:sc=-0.00108 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.394 9.785 3.601 1.00 0.00 N ATOM 2 CA GLY A 1 -10.767 10.309 4.803 1.00 0.00 C ATOM 3 C GLY A 1 -9.758 11.320 4.281 1.00 0.00 C ATOM 4 O GLY A 1 -9.969 11.794 3.162 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.228 9.221 3.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.687 10.574 2.990 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.716 9.184 3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.497 10.778 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.281 9.520 5.376 1.00 0.00 H new ATOM 10 N ASP A 2 -8.709 11.625 5.030 1.00 0.00 N ATOM 11 CA ASP A 2 -7.796 12.724 4.736 1.00 0.00 C ATOM 12 C ASP A 2 -6.344 12.280 4.678 1.00 0.00 C ATOM 13 O ASP A 2 -5.968 11.258 5.239 1.00 0.00 O ATOM 14 CB ASP A 2 -7.971 13.846 5.768 1.00 0.00 C ATOM 15 CG ASP A 2 -8.708 15.007 5.132 1.00 0.00 C ATOM 16 OD1 ASP A 2 -8.020 15.739 4.388 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.930 15.107 5.366 1.00 0.00 O ATOM 0 H ASP A 2 -8.462 11.108 5.874 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.052 13.097 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.526 13.478 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.998 14.175 6.132 1.00 0.00 H new ATOM 22 N VAL A 3 -5.512 13.088 4.016 1.00 0.00 N ATOM 23 CA VAL A 3 -4.079 12.841 3.920 1.00 0.00 C ATOM 24 C VAL A 3 -3.385 13.147 5.245 1.00 0.00 C ATOM 25 O VAL A 3 -2.457 12.440 5.634 1.00 0.00 O ATOM 26 CB VAL A 3 -3.454 13.598 2.733 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.780 15.099 2.699 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.927 13.424 2.734 1.00 0.00 C ATOM 0 H VAL A 3 -5.818 13.932 3.532 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.928 11.780 3.719 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.900 13.155 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.302 15.556 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.859 15.235 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.411 15.572 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.499 13.964 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.516 13.819 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.681 12.365 2.650 1.00 0.00 H new ATOM 38 N GLU A 4 -3.835 14.189 5.942 1.00 0.00 N ATOM 39 CA GLU A 4 -3.249 14.619 7.201 1.00 0.00 C ATOM 40 C GLU A 4 -3.326 13.465 8.191 1.00 0.00 C ATOM 41 O GLU A 4 -2.317 12.991 8.715 1.00 0.00 O ATOM 42 CB GLU A 4 -4.017 15.847 7.715 1.00 0.00 C ATOM 43 CG GLU A 4 -3.716 17.093 6.873 1.00 0.00 C ATOM 44 CD GLU A 4 -2.307 17.605 7.137 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.144 18.291 8.169 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.415 17.273 6.325 1.00 0.00 O ATOM 0 H GLU A 4 -4.624 14.761 5.642 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.203 14.898 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.087 15.643 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.749 16.036 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.828 16.857 5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.440 17.875 7.103 1.00 0.00 H new ATOM 53 N LYS A 5 -4.553 12.993 8.409 1.00 0.00 N ATOM 54 CA LYS A 5 -4.815 11.854 9.262 1.00 0.00 C ATOM 55 C LYS A 5 -4.227 10.597 8.629 1.00 0.00 C ATOM 56 O LYS A 5 -3.516 9.864 9.308 1.00 0.00 O ATOM 57 CB LYS A 5 -6.323 11.743 9.511 1.00 0.00 C ATOM 58 CG LYS A 5 -6.786 12.869 10.452 1.00 0.00 C ATOM 59 CD LYS A 5 -6.814 12.411 11.918 1.00 0.00 C ATOM 60 CE LYS A 5 -8.105 11.624 12.199 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.153 11.101 13.578 1.00 0.00 N ATOM 0 H LYS A 5 -5.392 13.398 7.993 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.334 11.980 10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.861 11.804 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.557 10.773 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.118 13.725 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.780 13.204 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.945 11.788 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.754 13.276 12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.966 12.270 12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.183 10.795 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.041 10.578 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.347 10.463 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.106 11.892 14.251 1.00 0.00 H new ATOM 75 N GLY A 6 -4.486 10.357 7.340 1.00 0.00 N ATOM 76 CA GLY A 6 -4.051 9.145 6.660 1.00 0.00 C ATOM 77 C GLY A 6 -2.561 8.909 6.856 1.00 0.00 C ATOM 78 O GLY A 6 -2.172 7.821 7.269 1.00 0.00 O ATOM 0 H GLY A 6 -5.004 11.002 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.610 8.290 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.273 9.222 5.596 1.00 0.00 H new ATOM 82 N LYS A 7 -1.720 9.913 6.603 1.00 0.00 N ATOM 83 CA LYS A 7 -0.281 9.729 6.657 1.00 0.00 C ATOM 84 C LYS A 7 0.239 9.503 8.072 1.00 0.00 C ATOM 85 O LYS A 7 1.199 8.760 8.274 1.00 0.00 O ATOM 86 CB LYS A 7 0.453 10.760 5.801 1.00 0.00 C ATOM 87 CG LYS A 7 0.934 12.027 6.480 1.00 0.00 C ATOM 88 CD LYS A 7 1.481 12.948 5.363 1.00 0.00 C ATOM 89 CE LYS A 7 2.846 13.592 5.652 1.00 0.00 C ATOM 90 NZ LYS A 7 3.516 14.075 4.413 1.00 0.00 N ATOM 0 H LYS A 7 -2.016 10.858 6.360 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.035 8.782 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.318 10.270 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.208 11.048 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.119 12.512 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.710 11.803 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.559 12.369 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.755 13.741 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.713 14.427 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.489 12.867 6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.447 14.471 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.637 13.281 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.932 14.811 3.967 1.00 0.00 H new ATOM 104 N LYS A 8 -0.426 10.098 9.060 1.00 0.00 N ATOM 105 CA LYS A 8 -0.070 9.912 10.456 1.00 0.00 C ATOM 106 C LYS A 8 -0.432 8.496 10.897 1.00 0.00 C ATOM 107 O LYS A 8 0.394 7.790 11.474 1.00 0.00 O ATOM 108 CB LYS A 8 -0.754 10.992 11.313 1.00 0.00 C ATOM 109 CG LYS A 8 0.203 11.716 12.272 1.00 0.00 C ATOM 110 CD LYS A 8 1.063 12.814 11.613 1.00 0.00 C ATOM 111 CE LYS A 8 2.170 12.268 10.692 1.00 0.00 C ATOM 112 NZ LYS A 8 3.179 13.285 10.328 1.00 0.00 N ATOM 0 H LYS A 8 -1.222 10.719 8.912 1.00 0.00 H new ATOM 0 HA LYS A 8 1.006 10.026 10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.218 11.726 10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.555 10.531 11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.380 12.164 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.865 10.980 12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.414 13.472 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.520 13.422 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.667 11.434 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.716 11.874 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.896 12.857 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.715 14.071 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.637 13.644 11.190 1.00 0.00 H new ATOM 126 N ILE A 9 -1.665 8.079 10.612 1.00 0.00 N ATOM 127 CA ILE A 9 -2.200 6.798 11.022 1.00 0.00 C ATOM 128 C ILE A 9 -1.412 5.700 10.307 1.00 0.00 C ATOM 129 O ILE A 9 -0.992 4.713 10.908 1.00 0.00 O ATOM 130 CB ILE A 9 -3.700 6.807 10.690 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.438 7.764 11.648 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.289 5.405 10.796 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.901 7.995 11.253 1.00 0.00 C ATOM 0 H ILE A 9 -2.328 8.641 10.078 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.099 6.607 12.090 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.826 7.152 9.664 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.400 7.358 12.659 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.917 8.721 11.669 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.352 5.438 10.556 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.780 4.742 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.157 5.031 11.811 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.367 8.677 11.965 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.944 8.428 10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.434 7.044 11.259 1.00 0.00 H new ATOM 145 N PHE A 10 -1.178 5.907 9.013 1.00 0.00 N ATOM 146 CA PHE A 10 -0.273 5.112 8.212 1.00 0.00 C ATOM 147 C PHE A 10 1.060 4.947 8.921 1.00 0.00 C ATOM 148 O PHE A 10 1.414 3.839 9.306 1.00 0.00 O ATOM 149 CB PHE A 10 -0.090 5.816 6.861 1.00 0.00 C ATOM 150 CG PHE A 10 1.029 5.296 5.998 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.811 4.222 5.138 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.321 5.816 6.139 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.892 3.624 4.480 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.406 5.226 5.492 1.00 0.00 C ATOM 155 CZ PHE A 10 3.189 4.131 4.641 1.00 0.00 C ATOM 0 H PHE A 10 -1.629 6.655 8.486 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.685 4.115 8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.022 5.736 6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.081 6.877 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.191 3.851 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.480 6.687 6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.726 2.767 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.405 5.608 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.017 3.681 4.113 1.00 0.00 H new ATOM 165 N VAL A 11 1.809 6.030 9.117 1.00 0.00 N ATOM 166 CA VAL A 11 3.108 5.922 9.738 1.00 0.00 C ATOM 167 C VAL A 11 2.996 5.188 11.089 1.00 0.00 C ATOM 168 O VAL A 11 3.860 4.385 11.431 1.00 0.00 O ATOM 169 CB VAL A 11 3.784 7.308 9.798 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.794 7.393 10.939 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.486 7.709 8.491 1.00 0.00 C ATOM 0 H VAL A 11 1.535 6.977 8.855 1.00 0.00 H new ATOM 0 HA VAL A 11 3.773 5.304 9.134 1.00 0.00 H new ATOM 0 HB VAL A 11 2.966 8.007 9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.249 8.383 10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.287 7.217 11.888 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.568 6.639 10.796 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.938 8.694 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.261 6.980 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.757 7.738 7.681 1.00 0.00 H new ATOM 181 N GLN A 12 1.907 5.409 11.831 1.00 0.00 N ATOM 182 CA GLN A 12 1.619 4.668 13.053 1.00 0.00 C ATOM 183 C GLN A 12 1.598 3.142 12.847 1.00 0.00 C ATOM 184 O GLN A 12 2.118 2.429 13.704 1.00 0.00 O ATOM 185 CB GLN A 12 0.301 5.160 13.679 1.00 0.00 C ATOM 186 CG GLN A 12 0.495 5.711 15.095 1.00 0.00 C ATOM 187 CD GLN A 12 -0.816 6.224 15.688 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.874 6.151 15.070 1.00 0.00 O ATOM 189 NE2 GLN A 12 -0.763 6.757 16.905 1.00 0.00 N ATOM 0 H GLN A 12 1.202 6.108 11.597 1.00 0.00 H new ATOM 0 HA GLN A 12 2.439 4.867 13.743 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.131 5.936 13.047 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.414 4.337 13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.903 4.930 15.736 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.225 6.520 15.074 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.127 6.808 17.401 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.612 7.115 17.342 1.00 0.00 H new ATOM 198 N LYS A 13 0.962 2.625 11.783 1.00 0.00 N ATOM 199 CA LYS A 13 0.695 1.188 11.659 1.00 0.00 C ATOM 200 C LYS A 13 0.822 0.617 10.235 1.00 0.00 C ATOM 201 O LYS A 13 0.199 -0.391 9.901 1.00 0.00 O ATOM 202 CB LYS A 13 -0.630 0.843 12.359 1.00 0.00 C ATOM 203 CG LYS A 13 -1.788 1.823 12.135 1.00 0.00 C ATOM 204 CD LYS A 13 -2.282 1.849 10.688 1.00 0.00 C ATOM 205 CE LYS A 13 -3.009 0.543 10.332 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.396 0.798 9.891 1.00 0.00 N ATOM 0 H LYS A 13 0.625 3.183 10.998 1.00 0.00 H new ATOM 0 HA LYS A 13 1.501 0.669 12.179 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.947 -0.145 12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.443 0.772 13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.616 1.553 12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.468 2.825 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.954 2.695 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.438 1.995 10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.464 0.026 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.017 -0.118 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.900 -0.106 9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.882 1.387 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.384 1.293 8.976 1.00 0.00 H new ATOM 220 N CYS A 14 1.672 1.236 9.418 1.00 0.00 N ATOM 221 CA CYS A 14 2.091 0.775 8.100 1.00 0.00 C ATOM 222 C CYS A 14 3.617 0.947 7.991 1.00 0.00 C ATOM 223 O CYS A 14 4.309 0.030 7.556 1.00 0.00 O ATOM 224 CB CYS A 14 1.410 1.536 6.981 1.00 0.00 C ATOM 225 SG CYS A 14 -0.414 1.679 6.997 1.00 0.00 S ATOM 0 H CYS A 14 2.110 2.121 9.674 1.00 0.00 H new ATOM 0 HA CYS A 14 1.805 -0.271 7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.820 2.546 6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.696 1.066 6.040 1.00 0.00 H new ATOM 230 N ALA A 15 4.159 2.111 8.390 1.00 0.00 N ATOM 231 CA ALA A 15 5.574 2.458 8.211 1.00 0.00 C ATOM 232 C ALA A 15 6.572 1.437 8.726 1.00 0.00 C ATOM 233 O ALA A 15 7.643 1.313 8.139 1.00 0.00 O ATOM 234 CB ALA A 15 5.929 3.800 8.824 1.00 0.00 C ATOM 0 H ALA A 15 3.618 2.843 8.851 1.00 0.00 H new ATOM 0 HA ALA A 15 5.665 2.489 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.987 4.006 8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.332 4.583 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.724 3.777 9.894 1.00 0.00 H new ATOM 240 N GLN A 16 6.260 0.731 9.815 1.00 0.00 N ATOM 241 CA GLN A 16 7.115 -0.333 10.318 1.00 0.00 C ATOM 242 C GLN A 16 7.575 -1.257 9.181 1.00 0.00 C ATOM 243 O GLN A 16 8.696 -1.762 9.209 1.00 0.00 O ATOM 244 CB GLN A 16 6.384 -1.114 11.420 1.00 0.00 C ATOM 245 CG GLN A 16 7.385 -1.472 12.519 1.00 0.00 C ATOM 246 CD GLN A 16 6.751 -2.313 13.621 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.414 -1.804 14.683 1.00 0.00 O ATOM 248 NE2 GLN A 16 6.588 -3.611 13.383 1.00 0.00 N ATOM 0 H GLN A 16 5.414 0.883 10.365 1.00 0.00 H new ATOM 0 HA GLN A 16 8.011 0.111 10.750 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.571 -0.515 11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.937 -2.019 11.008 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.221 -2.018 12.083 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.792 -0.557 12.950 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.879 -4.006 12.489 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.172 -4.212 14.095 1.00 0.00 H new ATOM 257 N CYS A 17 6.706 -1.444 8.184 1.00 0.00 N ATOM 258 CA CYS A 17 7.006 -2.125 6.944 1.00 0.00 C ATOM 259 C CYS A 17 7.311 -1.125 5.810 1.00 0.00 C ATOM 260 O CYS A 17 8.240 -1.371 5.045 1.00 0.00 O ATOM 261 CB CYS A 17 5.870 -3.059 6.612 1.00 0.00 C ATOM 262 SG CYS A 17 5.593 -4.285 7.938 1.00 0.00 S ATOM 0 H CYS A 17 5.743 -1.110 8.230 1.00 0.00 H new ATOM 0 HA CYS A 17 7.913 -2.719 7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.959 -2.482 6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.086 -3.577 5.677 1.00 0.00 H new ATOM 267 N HIS A 18 6.564 -0.014 5.688 1.00 0.00 N ATOM 268 CA HIS A 18 6.589 0.884 4.527 1.00 0.00 C ATOM 269 C HIS A 18 7.044 2.306 4.873 1.00 0.00 C ATOM 270 O HIS A 18 6.217 3.212 4.955 1.00 0.00 O ATOM 271 CB HIS A 18 5.171 0.993 3.953 1.00 0.00 C ATOM 272 CG HIS A 18 4.651 -0.258 3.324 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.825 -0.599 2.006 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.650 -1.036 3.834 1.00 0.00 C ATOM 275 CE1 HIS A 18 3.962 -1.583 1.734 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.237 -1.904 2.813 1.00 0.00 N ATOM 0 H HIS A 18 5.912 0.289 6.412 1.00 0.00 H new ATOM 0 HA HIS A 18 7.300 0.457 3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.492 1.290 4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.156 1.790 3.210 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.489 -0.180 1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.251 -0.991 4.837 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.862 -2.058 0.769 1.00 0.00 H new ATOM 284 N THR A 19 8.337 2.577 5.025 1.00 0.00 N ATOM 285 CA THR A 19 8.771 3.916 5.417 1.00 0.00 C ATOM 286 C THR A 19 8.792 4.905 4.230 1.00 0.00 C ATOM 287 O THR A 19 9.849 5.457 3.908 1.00 0.00 O ATOM 288 CB THR A 19 10.143 3.803 6.088 1.00 0.00 C ATOM 289 OG1 THR A 19 11.043 3.228 5.171 1.00 0.00 O ATOM 290 CG2 THR A 19 10.134 2.952 7.358 1.00 0.00 C ATOM 0 H THR A 19 9.090 1.903 4.886 1.00 0.00 H new ATOM 0 HA THR A 19 8.049 4.329 6.122 1.00 0.00 H new ATOM 0 HB THR A 19 10.440 4.810 6.381 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.100 3.792 4.371 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.139 2.916 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.451 3.391 8.085 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.806 1.941 7.116 1.00 0.00 H new ATOM 298 N VAL A 20 7.647 5.157 3.582 1.00 0.00 N ATOM 299 CA VAL A 20 7.508 6.074 2.461 1.00 0.00 C ATOM 300 C VAL A 20 7.415 7.524 2.955 1.00 0.00 C ATOM 301 O VAL A 20 6.429 8.218 2.729 1.00 0.00 O ATOM 302 CB VAL A 20 6.325 5.630 1.585 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.948 5.861 2.218 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.418 6.313 0.220 1.00 0.00 C ATOM 0 H VAL A 20 6.767 4.709 3.838 1.00 0.00 H new ATOM 0 HA VAL A 20 8.396 6.043 1.829 1.00 0.00 H new ATOM 0 HB VAL A 20 6.408 4.549 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.171 5.520 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.879 5.304 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.814 6.924 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.580 5.999 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.387 7.395 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.354 6.033 -0.264 1.00 0.00 H new ATOM 314 N GLU A 21 8.456 7.990 3.645 1.00 0.00 N ATOM 315 CA GLU A 21 8.538 9.381 4.087 1.00 0.00 C ATOM 316 C GLU A 21 9.967 9.887 3.898 1.00 0.00 C ATOM 317 O GLU A 21 10.180 10.979 3.379 1.00 0.00 O ATOM 318 CB GLU A 21 7.998 9.524 5.527 1.00 0.00 C ATOM 319 CG GLU A 21 7.461 10.942 5.810 1.00 0.00 C ATOM 320 CD GLU A 21 6.745 11.062 7.156 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.193 10.379 8.101 1.00 0.00 O ATOM 322 OE2 GLU A 21 5.762 11.840 7.226 1.00 0.00 O ATOM 0 H GLU A 21 9.259 7.420 3.911 1.00 0.00 H new ATOM 0 HA GLU A 21 7.899 10.018 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.202 8.797 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.792 9.290 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.290 11.649 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.773 11.228 5.014 1.00 0.00 H new ATOM 329 N LYS A 22 10.955 9.065 4.274 1.00 0.00 N ATOM 330 CA LYS A 22 12.367 9.391 4.142 1.00 0.00 C ATOM 331 C LYS A 22 13.134 8.350 3.318 1.00 0.00 C ATOM 332 O LYS A 22 14.309 8.121 3.601 1.00 0.00 O ATOM 333 CB LYS A 22 12.958 9.545 5.550 1.00 0.00 C ATOM 334 CG LYS A 22 12.721 8.298 6.420 1.00 0.00 C ATOM 335 CD LYS A 22 13.803 8.110 7.492 1.00 0.00 C ATOM 336 CE LYS A 22 14.970 7.226 7.019 1.00 0.00 C ATOM 337 NZ LYS A 22 15.697 7.791 5.863 1.00 0.00 N ATOM 0 H LYS A 22 10.787 8.146 4.682 1.00 0.00 H new ATOM 0 HA LYS A 22 12.466 10.327 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.029 9.735 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.514 10.414 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.747 8.376 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.690 7.415 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.189 9.086 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.354 7.665 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.668 7.084 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.586 6.241 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.491 7.167 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.051 7.871 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.061 8.733 6.109 1.00 0.00 H new ATOM 351 N GLY A 23 12.496 7.702 2.337 1.00 0.00 N ATOM 352 CA GLY A 23 13.167 6.793 1.412 1.00 0.00 C ATOM 353 C GLY A 23 13.952 5.698 2.139 1.00 0.00 C ATOM 354 O GLY A 23 15.182 5.726 2.190 1.00 0.00 O ATOM 0 H GLY A 23 11.495 7.796 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.427 6.333 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.845 7.361 0.776 1.00 0.00 H new ATOM 358 N GLY A 24 13.239 4.734 2.727 1.00 0.00 N ATOM 359 CA GLY A 24 13.867 3.591 3.369 1.00 0.00 C ATOM 360 C GLY A 24 14.328 2.552 2.346 1.00 0.00 C ATOM 361 O GLY A 24 14.624 2.877 1.198 1.00 0.00 O ATOM 0 H GLY A 24 12.220 4.729 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.721 3.927 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.164 3.131 4.063 1.00 0.00 H new ATOM 365 N LYS A 25 14.403 1.292 2.779 1.00 0.00 N ATOM 366 CA LYS A 25 14.939 0.187 1.990 1.00 0.00 C ATOM 367 C LYS A 25 14.018 -1.037 2.033 1.00 0.00 C ATOM 368 O LYS A 25 14.464 -2.146 2.307 1.00 0.00 O ATOM 369 CB LYS A 25 16.366 -0.157 2.454 1.00 0.00 C ATOM 370 CG LYS A 25 17.426 0.864 2.011 1.00 0.00 C ATOM 371 CD LYS A 25 17.842 1.847 3.113 1.00 0.00 C ATOM 372 CE LYS A 25 19.040 2.670 2.610 1.00 0.00 C ATOM 373 NZ LYS A 25 19.553 3.611 3.625 1.00 0.00 N ATOM 0 H LYS A 25 14.086 1.008 3.706 1.00 0.00 H new ATOM 0 HA LYS A 25 14.988 0.505 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.377 -0.229 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.637 -1.139 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.309 0.328 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.040 1.428 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.011 2.505 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.109 1.306 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.840 1.993 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.745 3.227 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.359 4.139 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.800 4.277 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.862 3.081 4.465 1.00 0.00 H new ATOM 387 N HIS A 26 12.746 -0.833 1.679 1.00 0.00 N ATOM 388 CA HIS A 26 11.756 -1.872 1.414 1.00 0.00 C ATOM 389 C HIS A 26 11.581 -2.843 2.601 1.00 0.00 C ATOM 390 O HIS A 26 10.715 -2.663 3.454 1.00 0.00 O ATOM 391 CB HIS A 26 12.115 -2.600 0.105 1.00 0.00 C ATOM 392 CG HIS A 26 12.399 -1.733 -1.099 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.630 -1.197 -1.414 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.596 -1.573 -2.199 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.554 -0.693 -2.656 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.330 -0.887 -3.172 1.00 0.00 N ATOM 0 H HIS A 26 12.364 0.106 1.565 1.00 0.00 H new ATOM 0 HA HIS A 26 10.783 -1.397 1.291 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.991 -3.221 0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.295 -3.272 -0.146 1.00 0.00 H new ATOM 0 HD1 HIS A 26 14.452 -1.186 -0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.577 -1.916 -2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.366 -0.199 -3.169 1.00 0.00 H new ATOM 404 N LYS A 27 12.427 -3.872 2.649 1.00 0.00 N ATOM 405 CA LYS A 27 12.614 -4.831 3.730 1.00 0.00 C ATOM 406 C LYS A 27 11.377 -5.687 4.005 1.00 0.00 C ATOM 407 O LYS A 27 11.409 -6.894 3.767 1.00 0.00 O ATOM 408 CB LYS A 27 13.152 -4.117 4.981 1.00 0.00 C ATOM 409 CG LYS A 27 13.737 -5.105 5.998 1.00 0.00 C ATOM 410 CD LYS A 27 14.374 -4.337 7.171 1.00 0.00 C ATOM 411 CE LYS A 27 15.812 -4.789 7.460 1.00 0.00 C ATOM 412 NZ LYS A 27 15.882 -6.183 7.949 1.00 0.00 N ATOM 0 H LYS A 27 13.050 -4.070 1.866 1.00 0.00 H new ATOM 0 HA LYS A 27 13.366 -5.551 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.920 -3.401 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.348 -3.549 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.953 -5.766 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.484 -5.736 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.370 -3.270 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.766 -4.477 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.408 -4.696 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.256 -4.125 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.874 -6.438 8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.337 -6.269 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.484 -6.823 7.232 1.00 0.00 H new ATOM 426 N THR A 28 10.319 -5.076 4.536 1.00 0.00 N ATOM 427 CA THR A 28 9.078 -5.756 4.885 1.00 0.00 C ATOM 428 C THR A 28 7.874 -5.168 4.141 1.00 0.00 C ATOM 429 O THR A 28 6.839 -5.822 4.110 1.00 0.00 O ATOM 430 CB THR A 28 8.877 -5.784 6.411 1.00 0.00 C ATOM 431 OG1 THR A 28 10.125 -5.780 7.080 1.00 0.00 O ATOM 432 CG2 THR A 28 8.113 -7.039 6.849 1.00 0.00 C ATOM 0 H THR A 28 10.303 -4.076 4.738 1.00 0.00 H new ATOM 0 HA THR A 28 9.158 -6.791 4.554 1.00 0.00 H new ATOM 0 HB THR A 28 8.304 -4.894 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.977 -5.796 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.987 -7.029 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.134 -7.055 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.674 -7.927 6.557 1.00 0.00 H new ATOM 440 N GLY A 29 7.987 -3.985 3.522 1.00 0.00 N ATOM 441 CA GLY A 29 6.925 -3.400 2.714 1.00 0.00 C ATOM 442 C GLY A 29 7.573 -2.478 1.681 1.00 0.00 C ATOM 443 O GLY A 29 8.415 -1.669 2.063 1.00 0.00 O ATOM 0 H GLY A 29 8.827 -3.408 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.348 -4.181 2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.232 -2.841 3.342 1.00 0.00 H new ATOM 447 N PRO A 30 7.273 -2.589 0.375 1.00 0.00 N ATOM 448 CA PRO A 30 7.900 -1.723 -0.612 1.00 0.00 C ATOM 449 C PRO A 30 7.690 -0.247 -0.263 1.00 0.00 C ATOM 450 O PRO A 30 6.579 0.164 0.055 1.00 0.00 O ATOM 451 CB PRO A 30 7.261 -2.067 -1.961 1.00 0.00 C ATOM 452 CG PRO A 30 6.669 -3.460 -1.757 1.00 0.00 C ATOM 453 CD PRO A 30 6.366 -3.532 -0.258 1.00 0.00 C ATOM 0 HA PRO A 30 8.978 -1.881 -0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.492 -1.344 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.999 -2.063 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.766 -3.598 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.371 -4.238 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.327 -3.271 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.521 -4.541 0.124 1.00 0.00 H new ATOM 461 N ASN A 31 8.743 0.570 -0.317 1.00 0.00 N ATOM 462 CA ASN A 31 8.555 2.015 -0.242 1.00 0.00 C ATOM 463 C ASN A 31 7.612 2.464 -1.372 1.00 0.00 C ATOM 464 O ASN A 31 7.884 2.213 -2.543 1.00 0.00 O ATOM 465 CB ASN A 31 9.903 2.747 -0.272 1.00 0.00 C ATOM 466 CG ASN A 31 10.656 2.557 -1.587 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.560 3.365 -2.504 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.435 1.485 -1.677 1.00 0.00 N ATOM 0 H ASN A 31 9.711 0.264 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 31 8.089 2.276 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.736 3.811 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.523 2.389 0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.974 1.316 -2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.494 0.831 -0.897 1.00 0.00 H new ATOM 475 N LEU A 32 6.485 3.095 -1.026 1.00 0.00 N ATOM 476 CA LEU A 32 5.356 3.312 -1.932 1.00 0.00 C ATOM 477 C LEU A 32 5.587 4.492 -2.893 1.00 0.00 C ATOM 478 O LEU A 32 4.678 5.283 -3.148 1.00 0.00 O ATOM 479 CB LEU A 32 4.065 3.504 -1.106 1.00 0.00 C ATOM 480 CG LEU A 32 3.783 2.400 -0.071 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.560 2.749 0.783 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.528 1.071 -0.774 1.00 0.00 C ATOM 0 H LEU A 32 6.331 3.475 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 32 5.254 2.428 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.123 4.461 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.219 3.563 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 32 4.658 2.318 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.382 1.953 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.740 3.685 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.686 2.857 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.330 0.298 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.667 1.168 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.405 0.795 -1.359 1.00 0.00 H new ATOM 494 N HIS A 33 6.796 4.618 -3.450 1.00 0.00 N ATOM 495 CA HIS A 33 7.131 5.683 -4.386 1.00 0.00 C ATOM 496 C HIS A 33 6.518 5.391 -5.756 1.00 0.00 C ATOM 497 O HIS A 33 7.199 4.934 -6.674 1.00 0.00 O ATOM 498 CB HIS A 33 8.650 5.892 -4.453 1.00 0.00 C ATOM 499 CG HIS A 33 9.163 6.803 -3.365 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.295 8.171 -3.458 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.497 6.443 -2.089 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.720 8.617 -2.262 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.864 7.599 -1.394 1.00 0.00 N ATOM 0 H HIS A 33 7.568 3.979 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 33 6.703 6.621 -4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.149 4.926 -4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.912 6.310 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.480 5.440 -1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.919 9.653 -2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.177 7.659 -0.425 1.00 0.00 H new ATOM 511 N GLY A 34 5.226 5.695 -5.887 1.00 0.00 N ATOM 512 CA GLY A 34 4.502 5.616 -7.143 1.00 0.00 C ATOM 513 C GLY A 34 3.608 4.385 -7.147 1.00 0.00 C ATOM 514 O GLY A 34 4.034 3.309 -7.558 1.00 0.00 O ATOM 0 H GLY A 34 4.649 6.008 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.900 6.514 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.204 5.569 -7.976 1.00 0.00 H new ATOM 518 N LEU A 35 2.363 4.560 -6.702 1.00 0.00 N ATOM 519 CA LEU A 35 1.322 3.543 -6.746 1.00 0.00 C ATOM 520 C LEU A 35 0.368 3.870 -7.894 1.00 0.00 C ATOM 521 O LEU A 35 0.213 3.098 -8.839 1.00 0.00 O ATOM 522 CB LEU A 35 0.553 3.541 -5.417 1.00 0.00 C ATOM 523 CG LEU A 35 1.285 2.832 -4.269 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.612 3.242 -2.956 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.221 1.306 -4.418 1.00 0.00 C ATOM 0 H LEU A 35 2.047 5.438 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 35 1.765 2.559 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.353 4.572 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.413 3.060 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 35 2.336 3.122 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.113 2.752 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.679 4.323 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.436 2.944 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.749 0.837 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.180 0.983 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.688 1.012 -5.358 1.00 0.00 H new ATOM 537 N PHE A 36 -0.273 5.037 -7.804 1.00 0.00 N ATOM 538 CA PHE A 36 -1.386 5.400 -8.663 1.00 0.00 C ATOM 539 C PHE A 36 -0.852 5.670 -10.062 1.00 0.00 C ATOM 540 O PHE A 36 -0.244 6.710 -10.298 1.00 0.00 O ATOM 541 CB PHE A 36 -2.146 6.591 -8.068 1.00 0.00 C ATOM 542 CG PHE A 36 -2.888 6.261 -6.779 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.192 6.129 -5.562 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.257 5.944 -6.818 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.854 5.724 -4.391 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.899 5.484 -5.657 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.222 5.427 -4.435 1.00 0.00 C ATOM 0 H PHE A 36 -0.027 5.758 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.106 4.584 -8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.442 7.400 -7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.860 6.959 -8.804 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.134 6.342 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.813 6.054 -7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.311 5.642 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.931 5.170 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.750 5.156 -3.532 1.00 0.00 H new ATOM 557 N GLY A 37 -1.058 4.715 -10.974 1.00 0.00 N ATOM 558 CA GLY A 37 -0.530 4.799 -12.331 1.00 0.00 C ATOM 559 C GLY A 37 0.747 3.974 -12.527 1.00 0.00 C ATOM 560 O GLY A 37 1.351 4.031 -13.597 1.00 0.00 O ATOM 0 H GLY A 37 -1.594 3.867 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.290 4.455 -13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.323 5.842 -12.571 1.00 0.00 H new ATOM 564 N ARG A 38 1.169 3.190 -11.528 1.00 0.00 N ATOM 565 CA ARG A 38 2.339 2.330 -11.628 1.00 0.00 C ATOM 566 C ARG A 38 1.878 0.933 -12.041 1.00 0.00 C ATOM 567 O ARG A 38 1.171 0.271 -11.285 1.00 0.00 O ATOM 568 CB ARG A 38 3.050 2.307 -10.270 1.00 0.00 C ATOM 569 CG ARG A 38 4.309 1.428 -10.195 1.00 0.00 C ATOM 570 CD ARG A 38 5.623 2.175 -10.463 1.00 0.00 C ATOM 571 NE ARG A 38 5.850 2.453 -11.890 1.00 0.00 N ATOM 572 CZ ARG A 38 6.990 2.969 -12.382 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.960 3.351 -11.545 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.158 3.095 -13.704 1.00 0.00 N ATOM 0 H ARG A 38 0.700 3.139 -10.624 1.00 0.00 H new ATOM 0 HA ARG A 38 3.040 2.700 -12.376 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.325 3.328 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.343 1.963 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.360 0.972 -9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.214 0.616 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.618 3.116 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.454 1.585 -10.078 1.00 0.00 H new ATOM 0 HE ARG A 38 5.097 2.242 -12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.833 3.250 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.827 3.743 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.420 2.799 -14.342 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.024 3.487 -14.073 1.00 0.00 H new ATOM 588 N LYS A 39 2.295 0.474 -13.226 1.00 0.00 N ATOM 589 CA LYS A 39 2.101 -0.907 -13.648 1.00 0.00 C ATOM 590 C LYS A 39 2.739 -1.871 -12.636 1.00 0.00 C ATOM 591 O LYS A 39 3.951 -2.080 -12.648 1.00 0.00 O ATOM 592 CB LYS A 39 2.620 -1.110 -15.086 1.00 0.00 C ATOM 593 CG LYS A 39 4.097 -0.715 -15.295 1.00 0.00 C ATOM 594 CD LYS A 39 4.297 0.393 -16.343 1.00 0.00 C ATOM 595 CE LYS A 39 4.409 -0.128 -17.785 1.00 0.00 C ATOM 596 NZ LYS A 39 3.197 -0.834 -18.242 1.00 0.00 N ATOM 0 H LYS A 39 2.775 1.053 -13.915 1.00 0.00 H new ATOM 0 HA LYS A 39 1.035 -1.134 -13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.495 -2.158 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.001 -0.527 -15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.513 -0.383 -14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.660 -1.597 -15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.462 1.091 -16.283 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.200 0.953 -16.098 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.608 0.710 -18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.263 -0.802 -17.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.293 -1.072 -19.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.075 -1.707 -17.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.367 -0.221 -18.108 1.00 0.00 H new ATOM 610 N THR A 40 1.923 -2.437 -11.747 1.00 0.00 N ATOM 611 CA THR A 40 2.296 -3.458 -10.800 1.00 0.00 C ATOM 612 C THR A 40 2.942 -4.639 -11.519 1.00 0.00 C ATOM 613 O THR A 40 2.702 -4.879 -12.701 1.00 0.00 O ATOM 614 CB THR A 40 1.021 -3.910 -10.078 1.00 0.00 C ATOM 615 OG1 THR A 40 0.240 -2.795 -9.701 1.00 0.00 O ATOM 616 CG2 THR A 40 1.352 -4.703 -8.821 1.00 0.00 C ATOM 0 H THR A 40 0.940 -2.175 -11.674 1.00 0.00 H new ATOM 0 HA THR A 40 3.021 -3.066 -10.086 1.00 0.00 H new ATOM 0 HB THR A 40 0.466 -4.540 -10.773 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.339 -2.637 -8.739 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.428 -5.010 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.931 -5.587 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.934 -4.081 -8.141 1.00 0.00 H new ATOM 624 N GLY A 41 3.731 -5.407 -10.772 1.00 0.00 N ATOM 625 CA GLY A 41 4.408 -6.578 -11.286 1.00 0.00 C ATOM 626 C GLY A 41 5.799 -6.223 -11.813 1.00 0.00 C ATOM 627 O GLY A 41 6.302 -6.884 -12.720 1.00 0.00 O ATOM 0 H GLY A 41 3.915 -5.226 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.494 -7.327 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.815 -7.023 -12.085 1.00 0.00 H new ATOM 631 N GLN A 42 6.425 -5.191 -11.233 1.00 0.00 N ATOM 632 CA GLN A 42 7.706 -4.643 -11.644 1.00 0.00 C ATOM 633 C GLN A 42 8.176 -3.681 -10.546 1.00 0.00 C ATOM 634 O GLN A 42 7.693 -2.554 -10.468 1.00 0.00 O ATOM 635 CB GLN A 42 7.548 -3.920 -12.992 1.00 0.00 C ATOM 636 CG GLN A 42 8.877 -3.327 -13.480 1.00 0.00 C ATOM 637 CD GLN A 42 8.730 -2.552 -14.787 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.648 -2.439 -15.355 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.832 -1.989 -15.275 1.00 0.00 N ATOM 0 H GLN A 42 6.028 -4.701 -10.431 1.00 0.00 H new ATOM 0 HA GLN A 42 8.448 -5.431 -11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.167 -4.619 -13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.809 -3.124 -12.893 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.279 -2.665 -12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.600 -4.131 -13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.720 -2.097 -14.785 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.789 -1.449 -16.139 1.00 0.00 H new ATOM 648 N ALA A 43 9.107 -4.130 -9.703 1.00 0.00 N ATOM 649 CA ALA A 43 9.734 -3.341 -8.644 1.00 0.00 C ATOM 650 C ALA A 43 11.244 -3.257 -8.895 1.00 0.00 C ATOM 651 O ALA A 43 11.769 -4.099 -9.623 1.00 0.00 O ATOM 652 CB ALA A 43 9.459 -4.041 -7.317 1.00 0.00 C ATOM 0 H ALA A 43 9.457 -5.087 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 43 9.331 -2.328 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.916 -3.475 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.383 -4.104 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.882 -5.045 -7.341 1.00 0.00 H new ATOM 658 N PRO A 44 11.960 -2.279 -8.311 1.00 0.00 N ATOM 659 CA PRO A 44 13.364 -2.046 -8.623 1.00 0.00 C ATOM 660 C PRO A 44 14.290 -3.166 -8.159 1.00 0.00 C ATOM 661 O PRO A 44 15.192 -3.568 -8.889 1.00 0.00 O ATOM 662 CB PRO A 44 13.716 -0.691 -7.998 1.00 0.00 C ATOM 663 CG PRO A 44 12.694 -0.536 -6.871 1.00 0.00 C ATOM 664 CD PRO A 44 11.455 -1.229 -7.438 1.00 0.00 C ATOM 0 HA PRO A 44 13.512 -2.034 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.737 -0.679 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.637 0.118 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.034 -1.007 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.501 0.512 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.839 -1.645 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.831 -0.526 -7.990 1.00 0.00 H new ATOM 672 N GLY A 45 14.087 -3.646 -6.936 1.00 0.00 N ATOM 673 CA GLY A 45 14.973 -4.636 -6.332 1.00 0.00 C ATOM 674 C GLY A 45 14.312 -5.363 -5.165 1.00 0.00 C ATOM 675 O GLY A 45 14.901 -5.493 -4.095 1.00 0.00 O ATOM 0 H GLY A 45 13.310 -3.363 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.273 -5.362 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.881 -4.144 -5.984 1.00 0.00 H new ATOM 679 N PHE A 46 13.080 -5.827 -5.388 1.00 0.00 N ATOM 680 CA PHE A 46 12.233 -6.579 -4.466 1.00 0.00 C ATOM 681 C PHE A 46 10.825 -6.492 -5.041 1.00 0.00 C ATOM 682 O PHE A 46 10.067 -5.587 -4.703 1.00 0.00 O ATOM 683 CB PHE A 46 12.287 -6.043 -3.021 1.00 0.00 C ATOM 684 CG PHE A 46 11.121 -6.433 -2.120 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.803 -7.784 -1.869 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.292 -5.424 -1.595 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.678 -8.105 -1.083 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.239 -5.754 -0.727 1.00 0.00 C ATOM 689 CZ PHE A 46 8.913 -7.093 -0.489 1.00 0.00 C ATOM 0 H PHE A 46 12.617 -5.674 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 46 12.580 -7.609 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.210 -6.393 -2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.342 -4.955 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.420 -8.570 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.467 -4.392 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.404 -9.139 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.678 -4.970 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.078 -7.345 0.148 1.00 0.00 H new ATOM 699 N THR A 47 10.488 -7.410 -5.949 1.00 0.00 N ATOM 700 CA THR A 47 9.160 -7.447 -6.544 1.00 0.00 C ATOM 701 C THR A 47 8.250 -8.411 -5.790 1.00 0.00 C ATOM 702 O THR A 47 7.365 -9.006 -6.388 1.00 0.00 O ATOM 703 CB THR A 47 9.234 -7.641 -8.066 1.00 0.00 C ATOM 704 OG1 THR A 47 8.022 -7.220 -8.666 1.00 0.00 O ATOM 705 CG2 THR A 47 9.588 -9.068 -8.478 1.00 0.00 C ATOM 0 H THR A 47 11.120 -8.136 -6.285 1.00 0.00 H new ATOM 0 HA THR A 47 8.678 -6.476 -6.428 1.00 0.00 H new ATOM 0 HB THR A 47 10.052 -7.019 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.265 -7.619 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.623 -9.135 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.561 -9.335 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.832 -9.755 -8.097 1.00 0.00 H new ATOM 713 N TYR A 48 8.380 -8.457 -4.461 1.00 0.00 N ATOM 714 CA TYR A 48 7.371 -9.033 -3.593 1.00 0.00 C ATOM 715 C TYR A 48 7.095 -10.521 -3.864 1.00 0.00 C ATOM 716 O TYR A 48 7.809 -11.176 -4.622 1.00 0.00 O ATOM 717 CB TYR A 48 6.114 -8.143 -3.569 1.00 0.00 C ATOM 718 CG TYR A 48 5.972 -7.013 -4.569 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.716 -5.833 -4.399 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.111 -7.142 -5.672 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.595 -4.790 -5.327 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.965 -6.085 -6.584 1.00 0.00 C ATOM 723 CZ TYR A 48 5.713 -4.909 -6.412 1.00 0.00 C ATOM 724 OH TYR A 48 5.679 -3.937 -7.363 1.00 0.00 O ATOM 0 H TYR A 48 9.193 -8.093 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 48 7.771 -9.043 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.250 -8.797 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.044 -7.706 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.380 -5.730 -3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.559 -8.059 -5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.182 -3.892 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.280 -6.176 -7.414 1.00 0.00 H new ATOM 0 HH TYR A 48 5.016 -4.171 -8.046 1.00 0.00 H new ATOM 734 N THR A 49 6.086 -11.077 -3.191 1.00 0.00 N ATOM 735 CA THR A 49 5.581 -12.407 -3.516 1.00 0.00 C ATOM 736 C THR A 49 5.149 -12.460 -4.985 1.00 0.00 C ATOM 737 O THR A 49 4.555 -11.507 -5.475 1.00 0.00 O ATOM 738 CB THR A 49 4.379 -12.762 -2.631 1.00 0.00 C ATOM 739 OG1 THR A 49 3.355 -11.790 -2.765 1.00 0.00 O ATOM 740 CG2 THR A 49 4.769 -12.915 -1.159 1.00 0.00 C ATOM 0 H THR A 49 5.603 -10.623 -2.416 1.00 0.00 H new ATOM 0 HA THR A 49 6.381 -13.125 -3.339 1.00 0.00 H new ATOM 0 HB THR A 49 4.005 -13.727 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.312 -11.246 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.885 -13.166 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.509 -13.710 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.192 -11.978 -0.795 1.00 0.00 H new ATOM 748 N ASP A 50 5.371 -13.587 -5.670 1.00 0.00 N ATOM 749 CA ASP A 50 4.938 -13.814 -7.051 1.00 0.00 C ATOM 750 C ASP A 50 3.434 -13.643 -7.218 1.00 0.00 C ATOM 751 O ASP A 50 2.990 -13.236 -8.275 1.00 0.00 O ATOM 752 CB ASP A 50 5.427 -15.165 -7.576 1.00 0.00 C ATOM 753 CG ASP A 50 5.160 -15.252 -9.076 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.797 -14.465 -9.813 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.313 -16.089 -9.451 1.00 0.00 O ATOM 0 H ASP A 50 5.868 -14.383 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 50 5.404 -13.043 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.493 -15.281 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.916 -15.976 -7.057 1.00 0.00 H new ATOM 760 N ALA A 51 2.625 -13.861 -6.185 1.00 0.00 N ATOM 761 CA ALA A 51 1.200 -13.568 -6.292 1.00 0.00 C ATOM 762 C ALA A 51 0.940 -12.072 -6.452 1.00 0.00 C ATOM 763 O ALA A 51 0.029 -11.677 -7.182 1.00 0.00 O ATOM 764 CB ALA A 51 0.469 -14.147 -5.079 1.00 0.00 C ATOM 0 H ALA A 51 2.923 -14.232 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 51 0.811 -14.042 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.596 -13.929 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.617 -15.226 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.865 -13.699 -4.168 1.00 0.00 H new ATOM 770 N ASN A 52 1.733 -11.231 -5.786 1.00 0.00 N ATOM 771 CA ASN A 52 1.607 -9.790 -5.924 1.00 0.00 C ATOM 772 C ASN A 52 2.297 -9.331 -7.217 1.00 0.00 C ATOM 773 O ASN A 52 1.731 -8.564 -7.990 1.00 0.00 O ATOM 774 CB ASN A 52 2.119 -9.114 -4.646 1.00 0.00 C ATOM 775 CG ASN A 52 1.689 -7.650 -4.551 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.843 -6.877 -5.491 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.125 -7.253 -3.412 1.00 0.00 N ATOM 0 H ASN A 52 2.469 -11.530 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 52 0.565 -9.488 -6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.747 -9.657 -3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.207 -9.173 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.811 -6.288 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.007 -7.914 -2.644 1.00 0.00 H new ATOM 784 N LYS A 53 3.486 -9.862 -7.517 1.00 0.00 N ATOM 785 CA LYS A 53 4.193 -9.605 -8.768 1.00 0.00 C ATOM 786 C LYS A 53 3.322 -9.997 -9.959 1.00 0.00 C ATOM 787 O LYS A 53 3.243 -9.275 -10.949 1.00 0.00 O ATOM 788 CB LYS A 53 5.560 -10.293 -8.744 1.00 0.00 C ATOM 789 CG LYS A 53 6.147 -10.749 -10.083 1.00 0.00 C ATOM 790 CD LYS A 53 6.440 -9.522 -10.958 1.00 0.00 C ATOM 791 CE LYS A 53 7.625 -9.753 -11.888 1.00 0.00 C ATOM 792 NZ LYS A 53 7.310 -10.718 -12.959 1.00 0.00 N ATOM 0 H LYS A 53 3.988 -10.489 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 53 4.388 -8.539 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.272 -9.610 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.486 -11.166 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.062 -11.317 -9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.448 -11.413 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.557 -9.279 -11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.642 -8.662 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.927 -8.805 -12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.474 -10.118 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.144 -10.845 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.047 -11.631 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.517 -10.358 -13.528 1.00 0.00 H new ATOM 806 N ASN A 54 2.613 -11.117 -9.869 1.00 0.00 N ATOM 807 CA ASN A 54 1.826 -11.632 -10.975 1.00 0.00 C ATOM 808 C ASN A 54 0.551 -10.796 -11.205 1.00 0.00 C ATOM 809 O ASN A 54 -0.337 -11.196 -11.953 1.00 0.00 O ATOM 810 CB ASN A 54 1.496 -13.115 -10.759 1.00 0.00 C ATOM 811 CG ASN A 54 0.873 -13.775 -11.987 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.211 -13.452 -13.122 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.032 -14.728 -11.776 1.00 0.00 N ATOM 0 H ASN A 54 2.570 -11.690 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 54 2.427 -11.548 -11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.408 -13.649 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.811 -13.210 -9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.461 -15.208 -12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.296 -14.978 -10.823 1.00 0.00 H new ATOM 820 N LYS A 55 0.397 -9.653 -10.524 1.00 0.00 N ATOM 821 CA LYS A 55 -0.832 -8.871 -10.596 1.00 0.00 C ATOM 822 C LYS A 55 -1.078 -8.216 -11.956 1.00 0.00 C ATOM 823 O LYS A 55 -2.142 -8.409 -12.539 1.00 0.00 O ATOM 824 CB LYS A 55 -0.864 -7.809 -9.500 1.00 0.00 C ATOM 825 CG LYS A 55 -1.433 -8.351 -8.184 1.00 0.00 C ATOM 826 CD LYS A 55 -2.974 -8.463 -8.205 1.00 0.00 C ATOM 827 CE LYS A 55 -3.528 -9.899 -8.114 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.000 -10.433 -9.411 1.00 0.00 N ATOM 0 H LYS A 55 1.113 -9.253 -9.917 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.639 -9.589 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.145 -7.434 -9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.466 -6.964 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.004 -9.333 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.131 -7.698 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.376 -7.882 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.343 -8.005 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.752 -10.555 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.352 -9.917 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.796 -11.083 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.312 -9.647 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.225 -10.944 -9.879 1.00 0.00 H new ATOM 842 N GLY A 56 -0.161 -7.351 -12.398 1.00 0.00 N ATOM 843 CA GLY A 56 -0.349 -6.551 -13.605 1.00 0.00 C ATOM 844 C GLY A 56 -1.453 -5.487 -13.490 1.00 0.00 C ATOM 845 O GLY A 56 -1.896 -4.953 -14.504 1.00 0.00 O ATOM 0 H GLY A 56 0.730 -7.188 -11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.591 -6.058 -13.851 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.586 -7.216 -14.435 1.00 0.00 H new ATOM 849 N ILE A 57 -1.881 -5.142 -12.268 1.00 0.00 N ATOM 850 CA ILE A 57 -2.776 -4.014 -12.012 1.00 0.00 C ATOM 851 C ILE A 57 -1.979 -2.711 -12.007 1.00 0.00 C ATOM 852 O ILE A 57 -0.776 -2.726 -12.236 1.00 0.00 O ATOM 853 CB ILE A 57 -3.556 -4.202 -10.699 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.716 -4.604 -9.472 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.683 -5.221 -10.917 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.899 -3.645 -8.301 1.00 0.00 C ATOM 0 H ILE A 57 -1.611 -5.646 -11.423 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.513 -3.967 -12.813 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.947 -3.214 -10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.993 -5.611 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.663 -4.635 -9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.237 -5.355 -9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.358 -4.857 -11.692 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.256 -6.175 -11.226 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.285 -3.974 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.596 -2.642 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.947 -3.633 -8.001 1.00 0.00 H new ATOM 868 N THR A 58 -2.621 -1.571 -11.741 1.00 0.00 N ATOM 869 CA THR A 58 -2.022 -0.249 -11.884 1.00 0.00 C ATOM 870 C THR A 58 -2.074 0.544 -10.565 1.00 0.00 C ATOM 871 O THR A 58 -2.180 1.771 -10.587 1.00 0.00 O ATOM 872 CB THR A 58 -2.766 0.445 -13.035 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.094 -0.510 -14.032 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.911 1.531 -13.676 1.00 0.00 C ATOM 0 H THR A 58 -3.587 -1.544 -11.415 1.00 0.00 H new ATOM 0 HA THR A 58 -0.960 -0.318 -12.119 1.00 0.00 H new ATOM 0 HB THR A 58 -3.666 0.900 -12.622 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.570 -0.067 -14.765 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.468 2.001 -14.486 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.655 2.281 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.998 1.088 -14.073 1.00 0.00 H new ATOM 882 N TRP A 59 -2.049 -0.188 -9.439 1.00 0.00 N ATOM 883 CA TRP A 59 -2.313 0.260 -8.070 1.00 0.00 C ATOM 884 C TRP A 59 -3.103 1.569 -8.004 1.00 0.00 C ATOM 885 O TRP A 59 -2.613 2.592 -7.536 1.00 0.00 O ATOM 886 CB TRP A 59 -1.022 0.276 -7.240 1.00 0.00 C ATOM 887 CG TRP A 59 -0.580 -1.059 -6.720 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.615 -1.639 -6.963 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.297 -1.982 -5.840 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.670 -2.866 -6.336 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.490 -3.140 -5.646 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.554 -1.973 -5.197 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.912 -4.234 -4.874 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.943 -3.018 -4.339 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.127 -4.149 -4.178 1.00 0.00 C ATOM 0 H TRP A 59 -1.826 -1.183 -9.469 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.975 -0.474 -7.610 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.221 0.693 -7.851 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.161 0.949 -6.394 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.407 -1.208 -7.558 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.472 -3.494 -6.378 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.230 -1.148 -5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.310 -5.129 -4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.876 -2.950 -3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.433 -4.950 -3.521 1.00 0.00 H new ATOM 906 N LYS A 60 -4.353 1.499 -8.460 1.00 0.00 N ATOM 907 CA LYS A 60 -5.250 2.634 -8.617 1.00 0.00 C ATOM 908 C LYS A 60 -6.288 2.650 -7.482 1.00 0.00 C ATOM 909 O LYS A 60 -6.374 1.693 -6.702 1.00 0.00 O ATOM 910 CB LYS A 60 -5.937 2.528 -9.988 1.00 0.00 C ATOM 911 CG LYS A 60 -6.465 1.102 -10.214 1.00 0.00 C ATOM 912 CD LYS A 60 -7.731 1.046 -11.059 1.00 0.00 C ATOM 913 CE LYS A 60 -7.547 1.241 -12.566 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.783 0.829 -13.265 1.00 0.00 N ATOM 0 H LYS A 60 -4.781 0.616 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.688 3.567 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.760 3.241 -10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.232 2.791 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.689 0.509 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.663 0.640 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.210 0.081 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.419 1.810 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.322 2.285 -12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.701 0.652 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.782 1.217 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.827 -0.209 -13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.611 1.189 -12.748 1.00 0.00 H new ATOM 928 N GLU A 61 -7.130 3.693 -7.447 1.00 0.00 N ATOM 929 CA GLU A 61 -8.160 3.940 -6.424 1.00 0.00 C ATOM 930 C GLU A 61 -9.388 3.021 -6.530 1.00 0.00 C ATOM 931 O GLU A 61 -10.516 3.443 -6.293 1.00 0.00 O ATOM 932 CB GLU A 61 -8.548 5.435 -6.382 1.00 0.00 C ATOM 933 CG GLU A 61 -8.999 6.057 -7.711 1.00 0.00 C ATOM 934 CD GLU A 61 -8.643 7.540 -7.724 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.218 8.279 -6.894 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.733 7.889 -8.506 1.00 0.00 O ATOM 0 H GLU A 61 -7.112 4.420 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.705 3.678 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.351 5.560 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.693 6.000 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.516 5.549 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.074 5.929 -7.839 1.00 0.00 H new ATOM 943 N GLU A 62 -9.145 1.742 -6.808 1.00 0.00 N ATOM 944 CA GLU A 62 -10.122 0.667 -6.794 1.00 0.00 C ATOM 945 C GLU A 62 -9.432 -0.509 -6.100 1.00 0.00 C ATOM 946 O GLU A 62 -9.816 -0.966 -5.023 1.00 0.00 O ATOM 947 CB GLU A 62 -10.541 0.312 -8.237 1.00 0.00 C ATOM 948 CG GLU A 62 -10.881 1.541 -9.093 1.00 0.00 C ATOM 949 CD GLU A 62 -11.401 1.130 -10.469 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.607 0.831 -10.557 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.582 1.090 -11.417 1.00 0.00 O ATOM 0 H GLU A 62 -8.212 1.416 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.036 0.944 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.734 -0.243 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.407 -0.349 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.631 2.146 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.994 2.164 -9.208 1.00 0.00 H new ATOM 958 N THR A 63 -8.330 -0.936 -6.713 1.00 0.00 N ATOM 959 CA THR A 63 -7.519 -2.055 -6.301 1.00 0.00 C ATOM 960 C THR A 63 -6.943 -1.810 -4.911 1.00 0.00 C ATOM 961 O THR A 63 -6.937 -2.707 -4.071 1.00 0.00 O ATOM 962 CB THR A 63 -6.421 -2.244 -7.354 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.821 -1.008 -7.721 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.022 -2.844 -8.630 1.00 0.00 C ATOM 0 H THR A 63 -7.970 -0.481 -7.552 1.00 0.00 H new ATOM 0 HA THR A 63 -8.114 -2.966 -6.233 1.00 0.00 H new ATOM 0 HB THR A 63 -5.671 -2.901 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.058 -0.827 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.237 -2.976 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.471 -3.810 -8.401 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.786 -2.173 -9.023 1.00 0.00 H new ATOM 972 N LEU A 64 -6.465 -0.587 -4.662 1.00 0.00 N ATOM 973 CA LEU A 64 -5.938 -0.221 -3.363 1.00 0.00 C ATOM 974 C LEU A 64 -7.016 -0.347 -2.286 1.00 0.00 C ATOM 975 O LEU A 64 -6.730 -0.829 -1.192 1.00 0.00 O ATOM 976 CB LEU A 64 -5.369 1.204 -3.444 1.00 0.00 C ATOM 977 CG LEU A 64 -3.839 1.246 -3.284 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.200 1.841 -4.535 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.465 2.078 -2.061 1.00 0.00 C ATOM 0 H LEU A 64 -6.436 0.163 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.135 -0.902 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.642 1.645 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.828 1.818 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.469 0.230 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.117 1.867 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.453 1.228 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.572 2.854 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.380 2.102 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.841 3.094 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.906 1.633 -1.169 1.00 0.00 H new ATOM 991 N MET A 65 -8.251 0.067 -2.591 1.00 0.00 N ATOM 992 CA MET A 65 -9.344 -0.026 -1.639 1.00 0.00 C ATOM 993 C MET A 65 -9.603 -1.488 -1.289 1.00 0.00 C ATOM 994 O MET A 65 -9.652 -1.839 -0.111 1.00 0.00 O ATOM 995 CB MET A 65 -10.624 0.616 -2.188 1.00 0.00 C ATOM 996 CG MET A 65 -10.427 2.040 -2.717 1.00 0.00 C ATOM 997 SD MET A 65 -11.781 3.180 -2.339 1.00 0.00 S ATOM 998 CE MET A 65 -11.448 3.464 -0.585 1.00 0.00 C ATOM 0 H MET A 65 -8.510 0.469 -3.492 1.00 0.00 H new ATOM 0 HA MET A 65 -9.055 0.519 -0.740 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.016 -0.008 -2.991 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.377 0.633 -1.400 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.504 2.443 -2.301 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.297 1.997 -3.798 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.385 3.438 -0.028 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.782 2.687 -0.211 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.977 4.438 -0.457 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.784 -2.331 -2.312 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.070 -3.743 -2.110 1.00 0.00 C ATOM 1010 C GLU A 66 -8.974 -4.396 -1.261 1.00 0.00 C ATOM 1011 O GLU A 66 -9.254 -5.063 -0.264 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.205 -4.436 -3.473 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.659 -4.826 -3.765 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.794 -5.694 -5.012 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.766 -5.885 -5.699 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.922 -6.185 -5.232 1.00 0.00 O ATOM 0 H GLU A 66 -9.736 -2.051 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.011 -3.849 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.841 -3.772 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.577 -5.327 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.067 -5.362 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.256 -3.922 -3.889 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.721 -4.192 -1.665 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.559 -4.715 -0.969 1.00 0.00 C ATOM 1025 C TYR A 67 -6.592 -4.296 0.492 1.00 0.00 C ATOM 1026 O TYR A 67 -6.655 -5.152 1.360 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.298 -4.214 -1.668 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.995 -4.801 -1.163 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.802 -6.195 -1.117 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.915 -3.950 -0.882 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.538 -6.736 -0.831 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.663 -4.494 -0.571 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.465 -5.882 -0.550 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.237 -6.402 -0.285 1.00 0.00 O ATOM 0 H TYR A 67 -7.487 -3.651 -2.497 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.564 -5.805 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.384 -4.429 -2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.252 -3.130 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.636 -6.856 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.049 -2.879 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.394 -7.806 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.838 -3.835 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 67 0.091 -6.048 0.568 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.565 -2.998 0.789 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.531 -2.566 2.183 1.00 0.00 C ATOM 1046 C LEU A 68 -7.734 -3.064 2.989 1.00 0.00 C ATOM 1047 O LEU A 68 -7.584 -3.361 4.172 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.360 -1.046 2.311 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.894 -0.584 2.400 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.136 -1.288 3.531 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.139 -0.775 1.084 1.00 0.00 C ATOM 0 H LEU A 68 -6.566 -2.244 0.102 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.648 -3.033 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.830 -0.565 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.892 -0.705 3.199 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.938 0.483 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.106 -0.931 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.619 -1.070 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.143 -2.364 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.111 -0.433 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.142 -1.831 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.626 -0.197 0.298 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.911 -3.164 2.367 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.089 -3.708 3.028 1.00 0.00 C ATOM 1065 C GLU A 69 -9.877 -5.188 3.381 1.00 0.00 C ATOM 1066 O GLU A 69 -10.310 -5.636 4.440 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.322 -3.502 2.133 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.659 -3.772 2.846 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.156 -2.573 3.647 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.529 -2.251 4.679 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.137 -1.955 3.176 1.00 0.00 O ATOM 0 H GLU A 69 -9.069 -2.873 1.402 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.258 -3.178 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.321 -2.478 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.244 -4.158 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.411 -4.045 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.543 -4.626 3.513 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.248 -5.969 2.491 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.076 -7.406 2.707 1.00 0.00 C ATOM 1080 C ASN A 70 -7.879 -7.966 1.937 1.00 0.00 C ATOM 1081 O ASN A 70 -8.055 -8.652 0.929 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.351 -8.131 2.273 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.448 -9.521 2.890 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.453 -10.106 3.314 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.659 -10.071 2.938 1.00 0.00 N ATOM 0 H ASN A 70 -8.851 -5.626 1.616 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.885 -7.567 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.221 -7.542 2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.371 -8.213 1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.781 -11.003 3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.466 -9.561 2.578 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.645 -7.718 2.385 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.486 -7.893 1.529 1.00 0.00 C ATOM 1094 C PRO A 71 -5.230 -9.365 1.234 1.00 0.00 C ATOM 1095 O PRO A 71 -4.942 -9.728 0.095 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.327 -7.181 2.223 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.785 -7.021 3.674 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.313 -7.065 3.631 1.00 0.00 C ATOM 0 HA PRO A 71 -5.635 -7.453 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.408 -7.764 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.123 -6.214 1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.388 -7.819 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.432 -6.080 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.714 -7.616 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.736 -6.061 3.673 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.400 -10.219 2.244 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.314 -11.655 2.076 1.00 0.00 C ATOM 1108 C LYS A 72 -6.325 -12.182 1.049 1.00 0.00 C ATOM 1109 O LYS A 72 -6.082 -13.213 0.432 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.469 -12.337 3.442 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.874 -12.211 4.058 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.021 -13.107 5.295 1.00 0.00 C ATOM 1113 CE LYS A 72 -6.324 -12.509 6.525 1.00 0.00 C ATOM 1114 NZ LYS A 72 -6.261 -13.471 7.646 1.00 0.00 N ATOM 0 H LYS A 72 -5.601 -9.926 3.200 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.332 -11.899 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.225 -13.394 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.743 -11.909 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.061 -11.173 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.625 -12.484 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.079 -13.253 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.601 -14.090 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.314 -12.200 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.857 -11.614 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.783 -13.028 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.225 -13.747 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.730 -14.315 7.350 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.478 -11.522 0.885 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.506 -11.994 -0.029 1.00 0.00 C ATOM 1130 C LYS A 73 -8.230 -11.460 -1.430 1.00 0.00 C ATOM 1131 O LYS A 73 -8.296 -12.222 -2.391 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.892 -11.610 0.494 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.043 -12.208 -0.326 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.656 -11.152 -1.257 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.808 -11.754 -2.075 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.493 -10.734 -2.898 1.00 0.00 N ATOM 0 H LYS A 73 -7.715 -10.660 1.377 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.485 -13.082 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.985 -11.939 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.983 -10.524 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.677 -13.050 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.809 -12.597 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.022 -10.310 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.890 -10.763 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.421 -12.542 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.527 -12.219 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.264 -11.181 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.885 -9.995 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.813 -10.308 -3.559 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.922 -10.163 -1.558 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.476 -9.606 -2.828 1.00 0.00 C ATOM 1152 C TYR A 74 -6.320 -10.425 -3.433 1.00 0.00 C ATOM 1153 O TYR A 74 -6.355 -10.754 -4.619 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.078 -8.146 -2.609 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.699 -7.392 -3.870 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.691 -7.028 -4.799 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.356 -7.062 -4.125 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.337 -6.345 -5.975 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.004 -6.368 -5.293 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.994 -6.021 -6.222 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.633 -5.445 -7.402 1.00 0.00 O ATOM 0 H TYR A 74 -7.975 -9.487 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.292 -9.653 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.907 -7.627 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.237 -8.114 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.725 -7.274 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.590 -7.344 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.099 -6.069 -6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.973 -6.102 -5.475 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.241 -5.742 -8.111 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.299 -10.747 -2.630 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.170 -11.593 -3.026 1.00 0.00 C ATOM 1173 C ILE A 75 -3.960 -12.693 -1.970 1.00 0.00 C ATOM 1174 O ILE A 75 -3.276 -12.455 -0.974 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.895 -10.741 -3.228 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.045 -9.799 -4.436 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.669 -11.637 -3.491 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.076 -8.613 -4.374 1.00 0.00 C ATOM 0 H ILE A 75 -5.235 -10.419 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.390 -12.071 -3.981 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.755 -10.164 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.871 -10.360 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.069 -9.427 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.786 -11.014 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.515 -12.301 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.838 -12.231 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.221 -7.978 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.266 -8.034 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.050 -8.982 -4.360 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.469 -13.922 -2.174 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.256 -15.031 -1.249 1.00 0.00 C ATOM 1192 C PRO A 76 -2.868 -15.645 -1.445 1.00 0.00 C ATOM 1193 O PRO A 76 -2.723 -16.826 -1.755 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.398 -16.005 -1.537 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.614 -15.824 -3.039 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.357 -14.329 -3.252 1.00 0.00 C ATOM 0 HA PRO A 76 -4.271 -14.724 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.129 -17.031 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.294 -15.761 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.927 -16.438 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.624 -16.105 -3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.901 -14.145 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.289 -13.764 -3.225 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.837 -14.831 -1.232 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.450 -15.266 -1.244 1.00 0.00 C ATOM 1206 C GLY A 77 0.501 -14.090 -1.051 1.00 0.00 C ATOM 1207 O GLY A 77 1.585 -14.088 -1.628 1.00 0.00 O ATOM 0 H GLY A 77 -1.948 -13.835 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.290 -15.999 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.231 -15.763 -2.189 1.00 0.00 H new ATOM 1211 N THR A 78 0.098 -13.098 -0.248 1.00 0.00 N ATOM 1212 CA THR A 78 0.914 -11.940 0.078 1.00 0.00 C ATOM 1213 C THR A 78 1.564 -12.143 1.443 1.00 0.00 C ATOM 1214 O THR A 78 0.974 -12.765 2.324 1.00 0.00 O ATOM 1215 CB THR A 78 0.088 -10.639 0.026 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.871 -9.566 0.507 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.215 -10.671 0.840 1.00 0.00 C ATOM 0 H THR A 78 -0.820 -13.085 0.197 1.00 0.00 H new ATOM 0 HA THR A 78 1.701 -11.839 -0.669 1.00 0.00 H new ATOM 0 HB THR A 78 -0.192 -10.517 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.579 -9.363 -0.139 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.728 -9.714 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.859 -11.467 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.984 -10.855 1.889 1.00 0.00 H new ATOM 1225 N LYS A 79 2.763 -11.582 1.626 1.00 0.00 N ATOM 1226 CA LYS A 79 3.441 -11.560 2.921 1.00 0.00 C ATOM 1227 C LYS A 79 3.213 -10.218 3.630 1.00 0.00 C ATOM 1228 O LYS A 79 4.048 -9.795 4.428 1.00 0.00 O ATOM 1229 CB LYS A 79 4.927 -11.934 2.754 1.00 0.00 C ATOM 1230 CG LYS A 79 5.717 -10.853 2.005 1.00 0.00 C ATOM 1231 CD LYS A 79 7.047 -11.306 1.389 1.00 0.00 C ATOM 1232 CE LYS A 79 8.241 -11.180 2.344 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.077 -11.994 3.563 1.00 0.00 N ATOM 0 H LYS A 79 3.290 -11.130 0.878 1.00 0.00 H new ATOM 0 HA LYS A 79 3.009 -12.318 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.373 -12.092 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.004 -12.878 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.087 -10.454 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.918 -10.033 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.955 -12.344 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.244 -10.715 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.150 -11.486 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.370 -10.134 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.999 -12.109 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.417 -11.519 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.699 -12.929 3.308 1.00 0.00 H new ATOM 1247 N MET A 80 2.089 -9.550 3.348 1.00 0.00 N ATOM 1248 CA MET A 80 1.749 -8.255 3.922 1.00 0.00 C ATOM 1249 C MET A 80 1.309 -8.329 5.390 1.00 0.00 C ATOM 1250 O MET A 80 1.444 -7.366 6.136 1.00 0.00 O ATOM 1251 CB MET A 80 0.749 -7.557 2.998 1.00 0.00 C ATOM 1252 CG MET A 80 0.138 -6.285 3.585 1.00 0.00 C ATOM 1253 SD MET A 80 0.100 -4.855 2.478 1.00 0.00 S ATOM 1254 CE MET A 80 -1.581 -4.223 2.722 1.00 0.00 C ATOM 0 H MET A 80 1.382 -9.905 2.703 1.00 0.00 H new ATOM 0 HA MET A 80 2.649 -7.643 3.974 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.249 -7.308 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.053 -8.254 2.756 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.882 -6.505 3.901 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.697 -6.014 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.667 -3.235 2.271 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.296 -4.899 2.253 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.793 -4.154 3.789 1.00 0.00 H new ATOM 1264 N ILE A 81 0.804 -9.482 5.813 1.00 0.00 N ATOM 1265 CA ILE A 81 0.356 -9.748 7.173 1.00 0.00 C ATOM 1266 C ILE A 81 -0.617 -8.662 7.651 1.00 0.00 C ATOM 1267 O ILE A 81 -0.298 -7.841 8.508 1.00 0.00 O ATOM 1268 CB ILE A 81 1.568 -9.921 8.107 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.662 -10.844 7.540 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.149 -10.388 9.511 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.258 -12.319 7.469 1.00 0.00 C ATOM 0 H ILE A 81 0.692 -10.286 5.195 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.199 -10.686 7.192 1.00 0.00 H new ATOM 0 HB ILE A 81 2.007 -8.926 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.928 -10.502 6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.556 -10.752 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.034 -10.497 10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.479 -9.651 9.955 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.636 -11.347 9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.082 -12.903 7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.020 -12.680 8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.383 -12.426 6.828 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.826 -8.655 7.088 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.830 -7.656 7.408 1.00 0.00 C ATOM 1285 C PHE A 82 -4.209 -8.254 7.122 1.00 0.00 C ATOM 1286 O PHE A 82 -4.296 -9.302 6.476 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.523 -6.382 6.608 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.976 -5.105 7.276 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.204 -4.576 8.327 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.114 -4.416 6.822 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.549 -3.344 8.904 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.458 -3.183 7.399 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.676 -2.648 8.438 1.00 0.00 C ATOM 0 H PHE A 82 -2.130 -9.343 6.399 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.819 -7.374 8.461 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.448 -6.326 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.000 -6.456 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.344 -5.119 8.690 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.721 -4.833 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.950 -2.933 9.703 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.325 -2.645 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.943 -1.699 8.879 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.277 -7.640 7.637 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.621 -8.199 7.563 1.00 0.00 C ATOM 1305 C ALA A 83 -7.659 -7.080 7.658 1.00 0.00 C ATOM 1306 O ALA A 83 -8.082 -6.559 6.633 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.799 -9.269 8.649 1.00 0.00 C ATOM 0 H ALA A 83 -5.230 -6.741 8.116 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.770 -8.689 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.805 -9.684 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.069 -10.065 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.649 -8.820 9.631 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.059 -6.710 8.879 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.921 -5.559 9.103 1.00 0.00 C ATOM 1315 C GLY A 84 -8.125 -4.270 8.907 1.00 0.00 C ATOM 1316 O GLY A 84 -6.906 -4.315 8.761 1.00 0.00 O ATOM 0 H GLY A 84 -7.792 -7.201 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.764 -5.585 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.333 -5.593 10.111 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.807 -3.119 8.936 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.201 -1.816 8.749 1.00 0.00 C ATOM 1322 C ILE A 85 -8.582 -0.954 9.952 1.00 0.00 C ATOM 1323 O ILE A 85 -7.698 -0.550 10.705 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.600 -1.254 7.371 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.924 0.101 7.121 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.114 -1.127 7.138 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.526 -0.027 6.521 1.00 0.00 C ATOM 0 H ILE A 85 -9.814 -3.077 9.094 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.112 -1.851 8.723 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.247 -1.996 6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.547 0.693 6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.860 0.647 8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.296 -0.723 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.579 -2.109 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.542 -0.458 7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.103 0.966 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.889 -0.592 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.587 -0.546 5.564 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.887 -0.731 10.152 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.490 -0.184 11.344 1.00 0.00 C ATOM 1341 C LYS A 86 -12.011 -0.317 11.198 1.00 0.00 C ATOM 1342 O LYS A 86 -12.601 -1.254 11.724 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.052 1.264 11.549 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.743 1.862 12.769 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.911 3.045 13.270 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.501 3.715 14.513 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.458 4.474 15.231 1.00 0.00 N ATOM 0 H LYS A 86 -10.580 -0.945 9.435 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.166 -0.728 12.231 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.971 1.308 11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.292 1.852 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.750 2.190 12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.844 1.111 13.553 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.902 2.701 13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.826 3.784 12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.312 4.383 14.224 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.930 2.960 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.873 4.923 16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.697 3.828 15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.068 5.206 14.604 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.633 0.618 10.467 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.071 0.698 10.252 1.00 0.00 C ATOM 1363 C LYS A 87 -14.347 1.778 9.202 1.00 0.00 C ATOM 1364 O LYS A 87 -14.786 2.874 9.539 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.802 0.985 11.577 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.326 0.957 11.381 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.040 0.653 12.705 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.545 0.454 12.464 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.251 -0.003 13.679 1.00 0.00 N ATOM 0 H LYS A 87 -12.123 1.364 9.994 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.450 -0.256 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.514 0.245 12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.499 1.959 11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.665 1.917 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.588 0.202 10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.615 -0.243 13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.882 1.471 13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.983 1.392 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.690 -0.275 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.262 -0.123 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.852 -0.911 13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.136 0.703 14.434 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.061 1.473 7.933 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.216 2.366 6.787 1.00 0.00 C ATOM 1385 C LYS A 88 -13.283 3.580 6.851 1.00 0.00 C ATOM 1386 O LYS A 88 -12.396 3.685 6.012 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.690 2.717 6.517 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.835 3.742 5.378 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.221 3.651 4.723 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.465 4.896 3.854 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.618 4.742 2.943 1.00 0.00 N ATOM 0 H LYS A 88 -13.700 0.557 7.668 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.888 1.813 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.239 1.810 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.140 3.117 7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.679 4.748 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.063 3.568 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.287 2.751 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.992 3.574 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.631 5.758 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.570 5.105 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.736 5.610 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.451 3.938 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.480 4.570 3.499 1.00 0.00 H new ATOM 1405 N THR A 89 -13.461 4.479 7.823 1.00 0.00 N ATOM 1406 CA THR A 89 -12.682 5.699 8.019 1.00 0.00 C ATOM 1407 C THR A 89 -11.206 5.508 7.654 1.00 0.00 C ATOM 1408 O THR A 89 -10.695 6.166 6.755 1.00 0.00 O ATOM 1409 CB THR A 89 -12.874 6.140 9.477 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.259 6.213 9.744 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.224 7.489 9.789 1.00 0.00 C ATOM 0 H THR A 89 -14.189 4.368 8.528 1.00 0.00 H new ATOM 0 HA THR A 89 -13.036 6.481 7.348 1.00 0.00 H new ATOM 0 HB THR A 89 -12.383 5.403 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.399 6.492 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.396 7.743 10.835 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.152 7.428 9.602 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.660 8.259 9.152 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.543 4.543 8.295 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.128 4.277 8.076 1.00 0.00 C ATOM 1421 C GLU A 90 -8.842 3.806 6.649 1.00 0.00 C ATOM 1422 O GLU A 90 -7.853 4.206 6.041 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.648 3.296 9.146 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.153 3.459 9.447 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.825 3.243 10.922 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.483 3.882 11.772 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.890 2.454 11.174 1.00 0.00 O ATOM 0 H GLU A 90 -10.977 3.925 8.981 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.560 5.202 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.221 3.449 10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.842 2.276 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.585 2.750 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.833 4.458 9.150 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.743 3.003 6.085 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.682 2.598 4.686 1.00 0.00 C ATOM 1436 C ARG A 91 -9.850 3.815 3.764 1.00 0.00 C ATOM 1437 O ARG A 91 -9.474 3.762 2.598 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.708 1.471 4.424 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.719 1.778 3.314 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.733 0.645 3.173 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.883 1.092 2.374 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.004 1.003 1.042 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.236 0.167 0.340 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.891 1.784 0.415 1.00 0.00 N ATOM 0 H ARG A 91 -10.539 2.614 6.591 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.699 2.186 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.169 0.559 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.251 1.269 5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.238 2.710 3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.195 1.923 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.263 -0.217 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.069 0.322 4.159 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.663 1.510 2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.547 -0.414 0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.339 0.109 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.464 2.436 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.994 1.727 -0.598 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.428 4.907 4.266 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.730 6.097 3.505 1.00 0.00 C ATOM 1460 C GLU A 92 -9.621 7.143 3.695 1.00 0.00 C ATOM 1461 O GLU A 92 -9.452 8.028 2.857 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.098 6.603 3.990 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.867 7.225 2.826 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.552 6.164 1.961 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.314 5.350 2.531 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.311 6.196 0.739 1.00 0.00 O ATOM 0 H GLU A 92 -10.703 4.979 5.245 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.775 5.891 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.670 5.778 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.963 7.339 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.616 7.916 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.183 7.809 2.210 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.946 7.113 4.844 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.843 7.985 5.244 1.00 0.00 C ATOM 1475 C ASP A 93 -6.549 7.527 4.584 1.00 0.00 C ATOM 1476 O ASP A 93 -5.869 8.302 3.919 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.657 7.971 6.772 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.637 8.834 7.549 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.737 10.030 7.199 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.243 8.302 8.501 1.00 0.00 O ATOM 0 H ASP A 93 -9.171 6.432 5.569 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.084 8.999 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.744 6.943 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.644 8.302 7.002 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.191 6.258 4.756 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.982 5.686 4.173 1.00 0.00 C ATOM 1487 C LEU A 94 -4.964 5.919 2.665 1.00 0.00 C ATOM 1488 O LEU A 94 -3.968 6.368 2.095 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.936 4.186 4.502 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.358 3.891 5.896 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.842 3.823 5.783 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.667 4.924 6.985 1.00 0.00 C ATOM 0 H LEU A 94 -6.735 5.594 5.307 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.100 6.170 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.944 3.775 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.335 3.674 3.750 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.833 2.959 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.413 3.614 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.564 3.030 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.461 4.776 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.209 4.611 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.266 5.894 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.746 5.003 7.116 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.100 5.664 2.021 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.231 5.763 0.579 1.00 0.00 C ATOM 1506 C ILE A 95 -6.453 7.226 0.165 1.00 0.00 C ATOM 1507 O ILE A 95 -6.562 7.519 -1.023 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.338 4.801 0.103 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.224 3.403 0.750 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.329 4.660 -1.426 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.959 2.636 0.384 1.00 0.00 C ATOM 0 H ILE A 95 -6.959 5.381 2.493 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.311 5.453 0.084 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.283 5.243 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.265 3.514 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.090 2.810 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.120 3.976 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.496 5.636 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.365 4.268 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.964 1.667 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.922 2.488 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.085 3.203 0.702 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.471 8.166 1.121 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.461 9.583 0.819 1.00 0.00 C ATOM 1525 C ALA A 96 -5.003 10.024 0.834 1.00 0.00 C ATOM 1526 O ALA A 96 -4.537 10.628 -0.130 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.334 10.341 1.819 1.00 0.00 C ATOM 0 H ALA A 96 -6.493 7.954 2.119 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.887 9.799 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.319 11.405 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.358 9.971 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.949 10.188 2.827 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.262 9.650 1.885 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.829 9.868 1.929 1.00 0.00 C ATOM 1535 C TYR A 97 -2.158 9.324 0.684 1.00 0.00 C ATOM 1536 O TYR A 97 -1.479 10.077 -0.002 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.169 9.262 3.173 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.643 9.223 3.114 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.083 10.269 2.503 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.061 8.129 3.650 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.487 10.269 2.513 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.463 8.101 3.602 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.180 9.180 3.060 1.00 0.00 C ATOM 1544 OH TYR A 97 3.540 9.187 3.109 1.00 0.00 O ATOM 0 H TYR A 97 -4.643 9.194 2.714 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.692 10.948 1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.473 9.836 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.542 8.247 3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.448 11.078 2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.479 7.309 4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.032 11.106 2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.995 7.243 3.985 1.00 0.00 H new ATOM 0 HH TYR A 97 3.849 8.487 3.721 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.290 8.030 0.395 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.477 7.444 -0.665 1.00 0.00 C ATOM 1556 C LEU A 98 -1.757 8.069 -2.030 1.00 0.00 C ATOM 1557 O LEU A 98 -0.887 8.063 -2.903 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.580 5.920 -0.668 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.075 5.326 0.655 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.287 3.813 0.627 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.404 5.614 0.943 1.00 0.00 C ATOM 0 H LEU A 98 -2.930 7.388 0.863 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.436 7.684 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.616 5.623 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.999 5.515 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.646 5.804 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.932 3.379 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.348 3.597 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.732 3.383 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.684 5.162 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.018 5.194 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.562 6.691 0.993 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.934 8.683 -2.178 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.323 9.377 -3.398 1.00 0.00 C ATOM 1575 C LYS A 99 -2.428 10.594 -3.674 1.00 0.00 C ATOM 1576 O LYS A 99 -2.386 11.088 -4.799 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.818 9.736 -3.320 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.592 9.169 -4.519 1.00 0.00 C ATOM 1579 CD LYS A 99 -7.106 9.157 -4.263 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.728 10.562 -4.300 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.735 10.740 -3.235 1.00 0.00 N ATOM 0 H LYS A 99 -3.645 8.710 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.177 8.715 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.240 9.345 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.933 10.820 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.378 9.766 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.250 8.155 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.591 8.530 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.302 8.703 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.944 11.311 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.192 10.729 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.133 11.699 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.496 10.042 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.286 10.605 -2.307 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.706 11.063 -2.656 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.741 12.124 -2.672 1.00 0.00 C ATOM 1597 C LYS A 100 0.658 11.544 -2.384 1.00 0.00 C ATOM 1598 O LYS A 100 1.619 12.091 -2.903 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.232 13.196 -1.680 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.090 13.809 -0.884 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.443 15.186 -0.311 1.00 0.00 C ATOM 1602 CE LYS A 100 0.768 15.671 0.493 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.593 17.005 1.095 1.00 0.00 N ATOM 0 H LYS A 100 -1.803 10.663 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.644 12.609 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.755 13.981 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.953 12.751 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.180 13.139 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.787 13.900 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.677 15.887 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.326 15.122 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.978 14.951 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.641 15.690 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.452 17.264 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.423 17.705 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.219 16.989 1.744 1.00 0.00 H new ATOM 1617 N ALA A 101 0.822 10.467 -1.600 1.00 0.00 N ATOM 1618 CA ALA A 101 2.128 9.831 -1.367 1.00 0.00 C ATOM 1619 C ALA A 101 2.753 9.382 -2.682 1.00 0.00 C ATOM 1620 O ALA A 101 3.958 9.450 -2.877 1.00 0.00 O ATOM 1621 CB ALA A 101 2.002 8.613 -0.454 1.00 0.00 C ATOM 0 H ALA A 101 0.052 10.012 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 101 2.761 10.577 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.986 8.168 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.592 8.920 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.339 7.880 -0.914 1.00 0.00 H new ATOM 1627 N THR A 102 1.899 8.935 -3.601 1.00 0.00 N ATOM 1628 CA THR A 102 2.286 8.569 -4.953 1.00 0.00 C ATOM 1629 C THR A 102 2.854 9.756 -5.756 1.00 0.00 C ATOM 1630 O THR A 102 3.310 9.547 -6.878 1.00 0.00 O ATOM 1631 CB THR A 102 1.040 7.962 -5.607 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.346 7.191 -6.752 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.008 9.048 -5.947 1.00 0.00 C ATOM 0 H THR A 102 0.902 8.817 -3.419 1.00 0.00 H new ATOM 0 HA THR A 102 3.104 7.849 -4.933 1.00 0.00 H new ATOM 0 HB THR A 102 0.605 7.284 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.043 7.641 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.865 8.588 -6.410 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.293 9.562 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.449 9.766 -6.639 1.00 0.00 H new ATOM 1641 N ASN A 103 2.761 10.980 -5.216 1.00 0.00 N ATOM 1642 CA ASN A 103 3.167 12.242 -5.829 1.00 0.00 C ATOM 1643 C ASN A 103 4.173 13.046 -4.976 1.00 0.00 C ATOM 1644 O ASN A 103 5.025 13.706 -5.565 1.00 0.00 O ATOM 1645 CB ASN A 103 1.910 13.076 -6.117 1.00 0.00 C ATOM 1646 CG ASN A 103 2.218 14.330 -6.933 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.880 14.269 -7.961 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.699 15.482 -6.511 1.00 0.00 N ATOM 0 H ASN A 103 2.376 11.118 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 103 3.692 12.007 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.187 12.464 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.445 13.364 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.850 16.336 -7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.151 15.510 -5.651 1.00 0.00 H new ATOM 1655 N GLU A 104 4.057 13.057 -3.634 1.00 0.00 N ATOM 1656 CA GLU A 104 5.023 13.732 -2.762 1.00 0.00 C ATOM 1657 C GLU A 104 6.358 12.975 -2.709 1.00 0.00 C ATOM 1658 O GLU A 104 6.384 11.792 -3.118 1.00 0.00 O ATOM 1659 CB GLU A 104 4.465 14.130 -1.360 1.00 0.00 C ATOM 1660 CG GLU A 104 3.967 13.064 -0.352 1.00 0.00 C ATOM 1661 CD GLU A 104 3.737 13.612 1.078 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.409 14.811 1.214 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.820 12.846 2.071 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.347 13.610 -2.278 1.00 0.00 O ATOM 0 H GLU A 104 3.295 12.600 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 104 5.226 14.696 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.248 14.699 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.634 14.814 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.035 12.637 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.694 12.253 -0.307 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.730 -3.126 2.768 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.514 -4.318 -0.465 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.150 -0.642 1.441 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.905 -2.231 5.982 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.873 -5.567 4.071 1.00 0.00 C HETATM 1677 NA HEC A 105 1.222 -2.613 0.833 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.663 -3.213 -0.327 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.126 -2.451 -1.433 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.339 -1.453 -0.893 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.454 -1.533 0.545 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.526 -0.465 -1.644 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.367 -2.705 -2.911 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.819 -2.708 -3.418 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.647 -1.577 -2.837 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.061 -1.736 -1.670 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.870 -0.594 -3.574 1.00 0.00 O HETATM 1688 NB HEC A 105 0.584 -1.682 3.575 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.089 -0.755 2.847 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.742 0.129 3.791 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.498 -0.361 5.066 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.380 -1.495 4.914 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.509 1.377 3.420 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.076 0.099 6.401 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.607 0.089 6.446 1.00 0.00 C HETATM 1696 NC HEC A 105 2.282 -3.782 4.673 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.816 -3.255 5.827 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.452 -3.937 6.925 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.371 -4.803 6.379 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.184 -4.758 4.950 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.184 -3.698 8.390 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.530 -5.482 7.078 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.136 -6.682 7.938 1.00 0.00 C HETATM 1704 ND HEC A 105 2.974 -4.661 1.949 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.744 -5.501 2.694 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.432 -6.381 1.788 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.078 -6.027 0.514 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.121 -4.947 0.617 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.391 -7.480 2.143 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.637 -6.671 -0.731 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.682 -7.694 -1.361 1.00 0.00 C HETATM 1712 CGD HEC A 105 4.066 -9.140 -1.040 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.151 -9.940 -0.756 1.00 0.00 O HETATM 1714 O2D HEC A 105 5.269 -9.466 -1.109 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.241 -7.061 2.682 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.887 -8.213 2.773 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.742 -7.965 1.232 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.411 -2.661 8.637 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.135 -3.901 8.606 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.812 -4.359 8.987 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.847 2.071 2.902 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.340 1.112 2.766 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.894 1.849 4.324 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.096 0.126 -2.316 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.275 -1.004 -2.224 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -1.024 0.196 -0.934 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.669 -7.505 -1.006 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.672 -7.557 -2.442 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.442 -6.361 8.715 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.657 -7.436 7.313 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.027 -7.106 8.400 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.998 0.755 5.677 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.970 -0.923 6.268 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.944 0.428 7.425 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.285 -3.660 -3.165 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 2.820 -2.631 -4.505 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.864 -5.896 -1.463 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.578 -7.164 -0.487 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 0.925 -3.670 -3.160 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.819 -1.949 -3.473 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.561 -6.303 4.486 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.576 -1.982 6.991 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.706 0.197 1.024 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.709 -4.702 -1.466 1.00 0.00 H new HETATM 0 H2D HEC A 105 5.730 -9.191 -0.289 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.828 -0.390 -3.566 1.00 0.00 H new