USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl 171:sc= -3.04! (180deg=-3.09!) USER MOD Single : A 13 ASN : amide:sc= -1.62! K(o=-1.6!,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.46! C(o=-2.5!,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0426 K(o=-0.043,f=-0.9) USER MOD Single : A 36 SER OG : rot 24:sc= 0.06 USER MOD Single : A 38 SER OG : rot 128:sc= 0.94 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.015 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 42 GLN : amide:sc= -1.53 X(o=-1.5,f=-1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 140:sc= -1! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.6!) USER MOD Single : A 71 LYS NZ :NH3+ -110:sc= 1.2 (180deg=-0.0735) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.143! K(o=-0.14!,f=-2) USER MOD Single : A 80 TYR OH : rot 78:sc= 0.0684 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.49! K(o=-1.5!,f=-2.4) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -152:sc= -1.6! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 168:sc= -0.526 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -2.71 K(o=-2.7,f=-17!) USER MOD Single : A 112 ASN : amide:sc= -0.0948 X(o=-0.095,f=-0.19) USER MOD Single : A 113 GLN : amide:sc=-0.000487 X(o=-0.00049,f=-0.1) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -136:sc= -7.15! (180deg=-11!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.615 3.133 7.830 1.00 0.00 N ATOM 60 CA GLY A 7 -14.293 3.405 6.574 1.00 0.00 C ATOM 61 C GLY A 7 -13.291 3.762 5.474 1.00 0.00 C ATOM 62 O GLY A 7 -12.111 3.428 5.573 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.872 2.532 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.998 4.225 6.708 1.00 0.00 H new ATOM 66 N MET A 8 -13.797 4.435 4.451 1.00 0.00 N ATOM 67 CA MET A 8 -12.960 4.841 3.335 1.00 0.00 C ATOM 68 C MET A 8 -12.602 6.325 3.429 1.00 0.00 C ATOM 69 O MET A 8 -11.427 6.682 3.484 1.00 0.00 O ATOM 70 CB MET A 8 -13.698 4.575 2.021 1.00 0.00 C ATOM 71 CG MET A 8 -12.923 5.147 0.833 1.00 0.00 C ATOM 72 SD MET A 8 -12.109 3.832 -0.056 1.00 0.00 S ATOM 73 CE MET A 8 -10.478 3.936 0.662 1.00 0.00 C ATOM 0 H MET A 8 -14.776 4.709 4.372 1.00 0.00 H new ATOM 0 HA MET A 8 -12.037 4.262 3.368 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.836 3.502 1.888 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.692 5.021 2.061 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.602 5.680 0.168 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.187 5.870 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.882 3.083 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.996 4.859 0.339 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.558 3.930 1.749 1.00 0.00 H new ATOM 83 N GLU A 9 -13.638 7.151 3.443 1.00 0.00 N ATOM 84 CA GLU A 9 -13.448 8.589 3.528 1.00 0.00 C ATOM 85 C GLU A 9 -12.649 8.945 4.783 1.00 0.00 C ATOM 86 O GLU A 9 -12.124 10.052 4.897 1.00 0.00 O ATOM 87 CB GLU A 9 -14.791 9.322 3.509 1.00 0.00 C ATOM 88 CG GLU A 9 -14.784 10.451 2.476 1.00 0.00 C ATOM 89 CD GLU A 9 -16.124 11.191 2.463 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.024 10.721 1.735 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.217 12.208 3.183 1.00 0.00 O ATOM 0 H GLU A 9 -14.612 6.852 3.397 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.882 8.913 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.591 8.618 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.001 9.730 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.980 11.151 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.581 10.042 1.486 1.00 0.00 H new ATOM 98 N ALA A 10 -12.580 7.985 5.695 1.00 0.00 N ATOM 99 CA ALA A 10 -11.852 8.183 6.937 1.00 0.00 C ATOM 100 C ALA A 10 -10.438 7.618 6.790 1.00 0.00 C ATOM 101 O ALA A 10 -9.476 8.206 7.282 1.00 0.00 O ATOM 102 CB ALA A 10 -12.623 7.534 8.089 1.00 0.00 C ATOM 0 H ALA A 10 -13.016 7.068 5.598 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.760 9.245 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.077 7.682 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.609 7.991 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.732 6.466 7.898 1.00 0.00 H new ATOM 108 N VAL A 11 -10.356 6.482 6.112 1.00 0.00 N ATOM 109 CA VAL A 11 -9.076 5.830 5.895 1.00 0.00 C ATOM 110 C VAL A 11 -8.182 6.741 5.050 1.00 0.00 C ATOM 111 O VAL A 11 -7.001 6.910 5.352 1.00 0.00 O ATOM 112 CB VAL A 11 -9.290 4.452 5.266 1.00 0.00 C ATOM 113 CG1 VAL A 11 -8.065 4.023 4.457 1.00 0.00 C ATOM 114 CG2 VAL A 11 -9.636 3.410 6.332 1.00 0.00 C ATOM 0 H VAL A 11 -11.156 5.997 5.706 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.566 5.663 6.844 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.135 4.524 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.243 3.040 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.883 4.746 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.195 3.977 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.783 2.440 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.821 3.342 7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.551 3.705 6.846 1.00 0.00 H new ATOM 124 N LEU A 12 -8.779 7.303 4.010 1.00 0.00 N ATOM 125 CA LEU A 12 -8.051 8.192 3.120 1.00 0.00 C ATOM 126 C LEU A 12 -7.785 9.519 3.836 1.00 0.00 C ATOM 127 O LEU A 12 -6.696 10.077 3.729 1.00 0.00 O ATOM 128 CB LEU A 12 -8.796 8.348 1.793 1.00 0.00 C ATOM 129 CG LEU A 12 -8.456 7.324 0.708 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.149 7.671 -0.610 1.00 0.00 C ATOM 131 CD2 LEU A 12 -6.942 7.185 0.542 1.00 0.00 C ATOM 0 H LEU A 12 -9.758 7.160 3.763 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.080 7.766 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.866 8.295 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.593 9.344 1.400 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.836 6.352 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.890 6.927 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.229 7.678 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.822 8.656 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.727 6.451 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.517 8.148 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.501 6.856 1.483 1.00 0.00 H new ATOM 143 N ASN A 13 -8.801 9.982 4.550 1.00 0.00 N ATOM 144 CA ASN A 13 -8.691 11.232 5.284 1.00 0.00 C ATOM 145 C ASN A 13 -7.450 11.185 6.179 1.00 0.00 C ATOM 146 O ASN A 13 -6.559 12.024 6.055 1.00 0.00 O ATOM 147 CB ASN A 13 -9.911 11.455 6.179 1.00 0.00 C ATOM 148 CG ASN A 13 -10.801 12.568 5.624 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.064 13.568 6.270 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.251 12.338 4.393 1.00 0.00 N ATOM 0 H ASN A 13 -9.704 9.515 4.636 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.623 12.043 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.484 10.531 6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.585 11.713 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.855 13.021 3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.992 11.479 3.908 1.00 0.00 H new ATOM 157 N GLU A 14 -7.433 10.196 7.059 1.00 0.00 N ATOM 158 CA GLU A 14 -6.316 10.029 7.975 1.00 0.00 C ATOM 159 C GLU A 14 -5.082 9.530 7.221 1.00 0.00 C ATOM 160 O GLU A 14 -5.193 8.696 6.325 1.00 0.00 O ATOM 161 CB GLU A 14 -6.682 9.079 9.118 1.00 0.00 C ATOM 162 CG GLU A 14 -5.485 8.213 9.515 1.00 0.00 C ATOM 163 CD GLU A 14 -5.620 7.717 10.955 1.00 0.00 C ATOM 164 OE1 GLU A 14 -6.548 6.915 11.195 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.793 8.152 11.786 1.00 0.00 O ATOM 0 H GLU A 14 -8.174 9.502 7.158 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.082 10.999 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.021 9.654 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.512 8.441 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.408 7.361 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.565 8.788 9.410 1.00 0.00 H new ATOM 172 N LEU A 15 -3.934 10.063 7.612 1.00 0.00 N ATOM 173 CA LEU A 15 -2.680 9.683 6.985 1.00 0.00 C ATOM 174 C LEU A 15 -1.722 9.146 8.051 1.00 0.00 C ATOM 175 O LEU A 15 -2.077 9.071 9.227 1.00 0.00 O ATOM 176 CB LEU A 15 -2.108 10.851 6.178 1.00 0.00 C ATOM 177 CG LEU A 15 -2.183 12.227 6.844 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.837 12.610 7.461 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.686 13.285 5.860 1.00 0.00 C ATOM 0 H LEU A 15 -3.846 10.755 8.356 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.843 8.879 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.064 10.635 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.635 10.901 5.225 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.907 12.175 7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.917 13.592 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.558 11.872 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.075 12.640 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.730 14.254 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.006 13.345 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.681 13.012 5.509 1.00 0.00 H new ATOM 191 N VAL A 16 -0.530 8.786 7.603 1.00 0.00 N ATOM 192 CA VAL A 16 0.481 8.259 8.504 1.00 0.00 C ATOM 193 C VAL A 16 1.208 9.421 9.184 1.00 0.00 C ATOM 194 O VAL A 16 1.003 10.580 8.828 1.00 0.00 O ATOM 195 CB VAL A 16 1.425 7.326 7.742 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.734 8.037 7.393 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.692 6.046 8.539 1.00 0.00 C ATOM 0 H VAL A 16 -0.240 8.849 6.627 1.00 0.00 H new ATOM 0 HA VAL A 16 0.019 7.661 9.290 1.00 0.00 H new ATOM 0 HB VAL A 16 0.937 7.044 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.387 7.352 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.521 8.905 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.227 8.361 8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.365 5.400 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.149 6.301 9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.751 5.524 8.715 1.00 0.00 H new ATOM 207 N SER A 17 2.043 9.069 10.151 1.00 0.00 N ATOM 208 CA SER A 17 2.801 10.068 10.885 1.00 0.00 C ATOM 209 C SER A 17 4.271 9.650 10.971 1.00 0.00 C ATOM 210 O SER A 17 4.579 8.460 11.025 1.00 0.00 O ATOM 211 CB SER A 17 2.226 10.277 12.286 1.00 0.00 C ATOM 212 OG SER A 17 0.815 10.473 12.261 1.00 0.00 O ATOM 0 H SER A 17 2.211 8.106 10.443 1.00 0.00 H new ATOM 0 HA SER A 17 2.729 11.014 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.461 9.412 12.907 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.704 11.141 12.749 1.00 0.00 H new ATOM 0 HG SER A 17 0.486 10.601 13.175 1.00 0.00 H new ATOM 218 N VAL A 18 5.139 10.652 10.981 1.00 0.00 N ATOM 219 CA VAL A 18 6.567 10.402 11.060 1.00 0.00 C ATOM 220 C VAL A 18 6.847 9.413 12.193 1.00 0.00 C ATOM 221 O VAL A 18 7.719 8.554 12.071 1.00 0.00 O ATOM 222 CB VAL A 18 7.321 11.724 11.221 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.833 11.493 11.248 1.00 0.00 C ATOM 224 CG2 VAL A 18 6.936 12.712 10.119 1.00 0.00 C ATOM 0 H VAL A 18 4.880 11.638 10.936 1.00 0.00 H new ATOM 0 HA VAL A 18 6.926 9.948 10.137 1.00 0.00 H new ATOM 0 HB VAL A 18 7.032 12.160 12.177 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.345 12.448 11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.087 10.842 12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.146 11.024 10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.486 13.643 10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.182 12.286 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.866 12.912 10.168 1.00 0.00 H new ATOM 234 N GLU A 19 6.091 9.567 13.270 1.00 0.00 N ATOM 235 CA GLU A 19 6.246 8.698 14.424 1.00 0.00 C ATOM 236 C GLU A 19 5.897 7.255 14.053 1.00 0.00 C ATOM 237 O GLU A 19 6.528 6.316 14.534 1.00 0.00 O ATOM 238 CB GLU A 19 5.390 9.185 15.595 1.00 0.00 C ATOM 239 CG GLU A 19 6.166 9.100 16.913 1.00 0.00 C ATOM 240 CD GLU A 19 5.265 9.437 18.102 1.00 0.00 C ATOM 241 OE1 GLU A 19 4.258 8.716 18.274 1.00 0.00 O ATOM 242 OE2 GLU A 19 5.602 10.409 18.812 1.00 0.00 O ATOM 0 H GLU A 19 5.369 10.281 13.368 1.00 0.00 H new ATOM 0 HA GLU A 19 7.289 8.729 14.740 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.077 10.214 15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.484 8.583 15.663 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.575 8.097 17.035 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.011 9.787 16.886 1.00 0.00 H new ATOM 249 N ASP A 20 4.890 7.124 13.201 1.00 0.00 N ATOM 250 CA ASP A 20 4.450 5.812 12.759 1.00 0.00 C ATOM 251 C ASP A 20 5.367 5.322 11.637 1.00 0.00 C ATOM 252 O ASP A 20 5.803 4.172 11.644 1.00 0.00 O ATOM 253 CB ASP A 20 3.022 5.865 12.214 1.00 0.00 C ATOM 254 CG ASP A 20 1.921 5.734 13.269 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.287 5.622 14.459 1.00 0.00 O ATOM 256 OD2 ASP A 20 0.739 5.749 12.861 1.00 0.00 O ATOM 0 H ASP A 20 4.367 7.905 12.805 1.00 0.00 H new ATOM 0 HA ASP A 20 4.484 5.139 13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.886 6.808 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.899 5.067 11.481 1.00 0.00 H new ATOM 261 N LEU A 21 5.632 6.219 10.698 1.00 0.00 N ATOM 262 CA LEU A 21 6.490 5.892 9.571 1.00 0.00 C ATOM 263 C LEU A 21 7.898 5.580 10.081 1.00 0.00 C ATOM 264 O LEU A 21 8.420 4.491 9.848 1.00 0.00 O ATOM 265 CB LEU A 21 6.447 7.006 8.525 1.00 0.00 C ATOM 266 CG LEU A 21 7.112 6.693 7.183 1.00 0.00 C ATOM 267 CD1 LEU A 21 6.077 6.628 6.059 1.00 0.00 C ATOM 268 CD2 LEU A 21 8.229 7.694 6.878 1.00 0.00 C ATOM 0 H LEU A 21 5.268 7.172 10.694 1.00 0.00 H new ATOM 0 HA LEU A 21 6.129 4.997 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.404 7.263 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.924 7.891 8.946 1.00 0.00 H new ATOM 0 HG LEU A 21 7.573 5.708 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.577 6.404 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.350 5.846 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.566 7.587 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.685 7.449 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.814 8.701 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.985 7.646 7.662 1.00 0.00 H new ATOM 280 N LYS A 22 8.474 6.556 10.767 1.00 0.00 N ATOM 281 CA LYS A 22 9.812 6.401 11.311 1.00 0.00 C ATOM 282 C LYS A 22 9.865 5.135 12.169 1.00 0.00 C ATOM 283 O LYS A 22 10.834 4.380 12.110 1.00 0.00 O ATOM 284 CB LYS A 22 10.239 7.667 12.057 1.00 0.00 C ATOM 285 CG LYS A 22 9.732 7.650 13.500 1.00 0.00 C ATOM 286 CD LYS A 22 10.634 6.789 14.387 1.00 0.00 C ATOM 287 CE LYS A 22 11.455 7.659 15.341 1.00 0.00 C ATOM 288 NZ LYS A 22 12.902 7.406 15.156 1.00 0.00 N ATOM 0 H LYS A 22 8.038 7.458 10.959 1.00 0.00 H new ATOM 0 HA LYS A 22 10.537 6.274 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.326 7.748 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.851 8.546 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.697 8.668 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.713 7.263 13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.026 6.089 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.303 6.195 13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.238 8.712 15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.171 7.447 16.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.445 8.004 15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.107 6.405 15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.171 7.631 14.177 1.00 0.00 H new ATOM 302 N ASN A 23 8.809 4.942 12.946 1.00 0.00 N ATOM 303 CA ASN A 23 8.723 3.780 13.816 1.00 0.00 C ATOM 304 C ASN A 23 9.134 2.532 13.033 1.00 0.00 C ATOM 305 O ASN A 23 10.078 1.840 13.412 1.00 0.00 O ATOM 306 CB ASN A 23 7.293 3.574 14.318 1.00 0.00 C ATOM 307 CG ASN A 23 7.145 4.051 15.765 1.00 0.00 C ATOM 308 OD1 ASN A 23 7.831 4.951 16.221 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.214 3.400 16.456 1.00 0.00 N ATOM 0 H ASN A 23 8.006 5.570 12.992 1.00 0.00 H new ATOM 0 HA ASN A 23 9.384 3.945 14.667 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.598 4.118 13.679 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.029 2.519 14.250 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.038 3.644 17.431 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.676 2.656 16.012 1.00 0.00 H new ATOM 316 N PHE A 24 8.406 2.281 11.955 1.00 0.00 N ATOM 317 CA PHE A 24 8.682 1.127 11.116 1.00 0.00 C ATOM 318 C PHE A 24 9.920 1.365 10.248 1.00 0.00 C ATOM 319 O PHE A 24 10.795 0.506 10.159 1.00 0.00 O ATOM 320 CB PHE A 24 7.466 0.931 10.208 1.00 0.00 C ATOM 321 CG PHE A 24 6.157 0.696 10.964 1.00 0.00 C ATOM 322 CD1 PHE A 24 6.183 0.198 12.230 1.00 0.00 C ATOM 323 CD2 PHE A 24 4.968 0.983 10.370 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.968 -0.021 12.931 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.753 0.764 11.071 1.00 0.00 C ATOM 326 CZ PHE A 24 3.779 0.266 12.338 1.00 0.00 C ATOM 0 H PHE A 24 7.625 2.858 11.643 1.00 0.00 H new ATOM 0 HA PHE A 24 8.869 0.251 11.738 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.354 1.810 9.573 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.650 0.083 9.549 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.127 -0.031 12.701 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.948 1.378 9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.988 -0.416 13.936 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.809 0.992 10.600 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.855 0.099 12.872 1.00 0.00 H new ATOM 336 N GLU A 25 9.952 2.536 9.629 1.00 0.00 N ATOM 337 CA GLU A 25 11.067 2.899 8.771 1.00 0.00 C ATOM 338 C GLU A 25 12.380 2.377 9.358 1.00 0.00 C ATOM 339 O GLU A 25 13.146 1.701 8.671 1.00 0.00 O ATOM 340 CB GLU A 25 11.125 4.413 8.557 1.00 0.00 C ATOM 341 CG GLU A 25 11.899 4.757 7.283 1.00 0.00 C ATOM 342 CD GLU A 25 11.855 6.261 7.004 1.00 0.00 C ATOM 343 OE1 GLU A 25 10.819 6.707 6.466 1.00 0.00 O ATOM 344 OE2 GLU A 25 12.858 6.929 7.335 1.00 0.00 O ATOM 0 H GLU A 25 9.223 3.246 9.705 1.00 0.00 H new ATOM 0 HA GLU A 25 10.917 2.434 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.113 4.814 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.601 4.887 9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.935 4.432 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.475 4.214 6.438 1.00 0.00 H new ATOM 351 N ARG A 26 12.600 2.709 10.621 1.00 0.00 N ATOM 352 CA ARG A 26 13.807 2.282 11.308 1.00 0.00 C ATOM 353 C ARG A 26 14.068 0.797 11.050 1.00 0.00 C ATOM 354 O ARG A 26 15.003 0.443 10.333 1.00 0.00 O ATOM 355 CB ARG A 26 13.696 2.518 12.815 1.00 0.00 C ATOM 356 CG ARG A 26 15.056 2.877 13.416 1.00 0.00 C ATOM 357 CD ARG A 26 14.948 3.098 14.927 1.00 0.00 C ATOM 358 NE ARG A 26 16.130 2.526 15.608 1.00 0.00 N ATOM 359 CZ ARG A 26 16.402 2.696 16.909 1.00 0.00 C ATOM 360 NH1 ARG A 26 15.578 3.422 17.677 1.00 0.00 N ATOM 361 NH2 ARG A 26 17.499 2.140 17.443 1.00 0.00 N ATOM 0 H ARG A 26 11.963 3.269 11.187 1.00 0.00 H new ATOM 0 HA ARG A 26 14.636 2.873 10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.985 3.321 13.009 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.306 1.623 13.299 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.770 2.079 13.212 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.441 3.779 12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.874 4.164 15.143 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.039 2.632 15.307 1.00 0.00 H new ATOM 0 HE ARG A 26 16.778 1.968 15.053 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.743 3.845 17.271 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.785 3.551 18.667 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.127 1.588 16.859 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.706 2.270 18.433 1.00 0.00 H new ATOM 375 N LYS A 27 13.225 -0.032 11.646 1.00 0.00 N ATOM 376 CA LYS A 27 13.352 -1.471 11.490 1.00 0.00 C ATOM 377 C LYS A 27 13.603 -1.798 10.016 1.00 0.00 C ATOM 378 O LYS A 27 14.638 -2.366 9.671 1.00 0.00 O ATOM 379 CB LYS A 27 12.134 -2.185 12.081 1.00 0.00 C ATOM 380 CG LYS A 27 12.527 -3.538 12.676 1.00 0.00 C ATOM 381 CD LYS A 27 11.594 -3.922 13.826 1.00 0.00 C ATOM 382 CE LYS A 27 12.303 -4.839 14.825 1.00 0.00 C ATOM 383 NZ LYS A 27 11.611 -6.144 14.913 1.00 0.00 N ATOM 0 H LYS A 27 12.450 0.265 12.239 1.00 0.00 H new ATOM 0 HA LYS A 27 14.210 -1.841 12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.682 -1.562 12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.381 -2.329 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.490 -4.304 11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.555 -3.497 13.035 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.249 -3.022 14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.711 -4.423 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.338 -4.990 14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.327 -4.367 15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.105 -6.754 15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.631 -5.997 15.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.610 -6.600 13.978 1.00 0.00 H new ATOM 397 N PHE A 28 12.638 -1.428 9.188 1.00 0.00 N ATOM 398 CA PHE A 28 12.740 -1.675 7.761 1.00 0.00 C ATOM 399 C PHE A 28 14.173 -1.458 7.268 1.00 0.00 C ATOM 400 O PHE A 28 14.784 -2.366 6.706 1.00 0.00 O ATOM 401 CB PHE A 28 11.817 -0.673 7.065 1.00 0.00 C ATOM 402 CG PHE A 28 11.647 -0.920 5.565 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.770 -1.863 5.126 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.374 -0.199 4.670 1.00 0.00 C ATOM 405 CE1 PHE A 28 10.613 -2.092 3.734 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.215 -0.428 3.278 1.00 0.00 C ATOM 407 CZ PHE A 28 11.339 -1.370 2.839 1.00 0.00 C ATOM 0 H PHE A 28 11.781 -0.958 9.479 1.00 0.00 H new ATOM 0 HA PHE A 28 12.460 -2.705 7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.837 -0.706 7.541 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.211 0.332 7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.194 -2.437 5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.072 0.548 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.916 -2.840 3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.790 0.147 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.220 -1.545 1.780 1.00 0.00 H new ATOM 417 N GLN A 29 14.666 -0.250 7.496 1.00 0.00 N ATOM 418 CA GLN A 29 16.015 0.098 7.083 1.00 0.00 C ATOM 419 C GLN A 29 17.009 -0.957 7.573 1.00 0.00 C ATOM 420 O GLN A 29 17.568 -1.706 6.775 1.00 0.00 O ATOM 421 CB GLN A 29 16.401 1.491 7.585 1.00 0.00 C ATOM 422 CG GLN A 29 15.684 2.580 6.785 1.00 0.00 C ATOM 423 CD GLN A 29 16.315 3.951 7.037 1.00 0.00 C ATOM 424 OE1 GLN A 29 17.416 4.071 7.549 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.559 4.974 6.649 1.00 0.00 N ATOM 0 H GLN A 29 14.156 0.500 7.962 1.00 0.00 H new ATOM 0 HA GLN A 29 16.046 0.120 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.148 1.584 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.480 1.625 7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.730 2.345 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.630 2.605 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.646 4.802 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.892 5.930 6.773 1.00 0.00 H new ATOM 434 N SER A 30 17.199 -0.979 8.885 1.00 0.00 N ATOM 435 CA SER A 30 18.115 -1.930 9.491 1.00 0.00 C ATOM 436 C SER A 30 17.891 -3.323 8.901 1.00 0.00 C ATOM 437 O SER A 30 18.825 -3.947 8.399 1.00 0.00 O ATOM 438 CB SER A 30 17.948 -1.963 11.012 1.00 0.00 C ATOM 439 OG SER A 30 19.166 -2.288 11.676 1.00 0.00 O ATOM 0 H SER A 30 16.735 -0.354 9.544 1.00 0.00 H new ATOM 0 HA SER A 30 19.134 -1.611 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.594 -0.992 11.359 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.184 -2.694 11.277 1.00 0.00 H new ATOM 0 HG SER A 30 19.018 -2.297 12.645 1.00 0.00 H new ATOM 445 N GLU A 31 16.646 -3.772 8.982 1.00 0.00 N ATOM 446 CA GLU A 31 16.288 -5.080 8.463 1.00 0.00 C ATOM 447 C GLU A 31 16.712 -5.205 6.998 1.00 0.00 C ATOM 448 O GLU A 31 17.048 -6.294 6.535 1.00 0.00 O ATOM 449 CB GLU A 31 14.789 -5.341 8.622 1.00 0.00 C ATOM 450 CG GLU A 31 14.381 -5.311 10.097 1.00 0.00 C ATOM 451 CD GLU A 31 14.061 -6.718 10.606 1.00 0.00 C ATOM 452 OE1 GLU A 31 12.941 -7.187 10.310 1.00 0.00 O ATOM 453 OE2 GLU A 31 14.943 -7.293 11.280 1.00 0.00 O ATOM 0 H GLU A 31 15.874 -3.253 9.399 1.00 0.00 H new ATOM 0 HA GLU A 31 16.820 -5.836 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.225 -4.590 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.537 -6.310 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.186 -4.879 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.510 -4.668 10.224 1.00 0.00 H new ATOM 460 N GLN A 32 16.683 -4.073 6.309 1.00 0.00 N ATOM 461 CA GLN A 32 17.061 -4.042 4.905 1.00 0.00 C ATOM 462 C GLN A 32 18.535 -4.420 4.744 1.00 0.00 C ATOM 463 O GLN A 32 18.859 -5.395 4.069 1.00 0.00 O ATOM 464 CB GLN A 32 16.775 -2.670 4.291 1.00 0.00 C ATOM 465 CG GLN A 32 16.383 -2.800 2.818 1.00 0.00 C ATOM 466 CD GLN A 32 15.959 -1.447 2.242 1.00 0.00 C ATOM 467 OE1 GLN A 32 15.266 -0.665 2.873 1.00 0.00 O ATOM 468 NE2 GLN A 32 16.413 -1.216 1.015 1.00 0.00 N ATOM 0 H GLN A 32 16.404 -3.171 6.696 1.00 0.00 H new ATOM 0 HA GLN A 32 16.458 -4.775 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.972 -2.181 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 32 17.657 -2.036 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.224 -3.195 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 32 15.566 -3.514 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.989 -1.914 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.186 -0.340 0.544 1.00 0.00 H new ATOM 477 N ALA A 33 19.388 -3.626 5.376 1.00 0.00 N ATOM 478 CA ALA A 33 20.820 -3.865 5.310 1.00 0.00 C ATOM 479 C ALA A 33 21.146 -5.179 6.023 1.00 0.00 C ATOM 480 O ALA A 33 22.262 -5.686 5.918 1.00 0.00 O ATOM 481 CB ALA A 33 21.565 -2.674 5.915 1.00 0.00 C ATOM 0 H ALA A 33 19.115 -2.818 5.935 1.00 0.00 H new ATOM 0 HA ALA A 33 21.146 -3.961 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.639 -2.853 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.322 -1.771 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.266 -2.548 6.956 1.00 0.00 H new ATOM 487 N ALA A 34 20.152 -5.694 6.731 1.00 0.00 N ATOM 488 CA ALA A 34 20.320 -6.940 7.461 1.00 0.00 C ATOM 489 C ALA A 34 20.370 -8.104 6.469 1.00 0.00 C ATOM 490 O ALA A 34 20.977 -9.136 6.748 1.00 0.00 O ATOM 491 CB ALA A 34 19.189 -7.091 8.480 1.00 0.00 C ATOM 0 H ALA A 34 19.227 -5.272 6.815 1.00 0.00 H new ATOM 0 HA ALA A 34 21.259 -6.937 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.315 -8.025 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.215 -6.255 9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.231 -7.101 7.961 1.00 0.00 H new ATOM 497 N GLY A 35 19.723 -7.899 5.331 1.00 0.00 N ATOM 498 CA GLY A 35 19.686 -8.918 4.296 1.00 0.00 C ATOM 499 C GLY A 35 18.339 -8.913 3.570 1.00 0.00 C ATOM 500 O GLY A 35 18.264 -9.258 2.392 1.00 0.00 O ATOM 0 H GLY A 35 19.220 -7.042 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.490 -8.744 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.861 -9.898 4.739 1.00 0.00 H new ATOM 504 N SER A 36 17.309 -8.521 4.305 1.00 0.00 N ATOM 505 CA SER A 36 15.968 -8.468 3.746 1.00 0.00 C ATOM 506 C SER A 36 14.968 -8.049 4.825 1.00 0.00 C ATOM 507 O SER A 36 14.920 -8.648 5.899 1.00 0.00 O ATOM 508 CB SER A 36 15.568 -9.817 3.146 1.00 0.00 C ATOM 509 OG SER A 36 15.646 -10.872 4.103 1.00 0.00 O ATOM 0 H SER A 36 17.375 -8.237 5.282 1.00 0.00 H new ATOM 0 HA SER A 36 15.960 -7.728 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.551 -9.754 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.218 -10.045 2.301 1.00 0.00 H new ATOM 0 HG SER A 36 15.570 -10.500 5.007 1.00 0.00 H new ATOM 515 N VAL A 37 14.193 -7.024 4.503 1.00 0.00 N ATOM 516 CA VAL A 37 13.196 -6.518 5.431 1.00 0.00 C ATOM 517 C VAL A 37 12.134 -7.594 5.668 1.00 0.00 C ATOM 518 O VAL A 37 11.692 -8.252 4.728 1.00 0.00 O ATOM 519 CB VAL A 37 12.611 -5.206 4.906 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.378 -4.794 5.713 1.00 0.00 C ATOM 521 CG2 VAL A 37 13.664 -4.095 4.909 1.00 0.00 C ATOM 0 H VAL A 37 14.235 -6.530 3.612 1.00 0.00 H new ATOM 0 HA VAL A 37 13.651 -6.292 6.395 1.00 0.00 H new ATOM 0 HB VAL A 37 12.298 -5.368 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.982 -3.858 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.617 -5.571 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.656 -4.659 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.222 -3.173 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.022 -3.935 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.500 -4.384 4.272 1.00 0.00 H new ATOM 531 N SER A 38 11.755 -7.738 6.928 1.00 0.00 N ATOM 532 CA SER A 38 10.753 -8.723 7.302 1.00 0.00 C ATOM 533 C SER A 38 9.419 -8.391 6.630 1.00 0.00 C ATOM 534 O SER A 38 9.119 -7.225 6.379 1.00 0.00 O ATOM 535 CB SER A 38 10.581 -8.785 8.821 1.00 0.00 C ATOM 536 OG SER A 38 11.796 -9.125 9.482 1.00 0.00 O ATOM 0 H SER A 38 12.123 -7.189 7.705 1.00 0.00 H new ATOM 0 HA SER A 38 11.091 -9.702 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.228 -7.820 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.815 -9.520 9.069 1.00 0.00 H new ATOM 0 HG SER A 38 11.984 -8.464 10.181 1.00 0.00 H new ATOM 542 N LYS A 39 8.654 -9.438 6.358 1.00 0.00 N ATOM 543 CA LYS A 39 7.358 -9.273 5.720 1.00 0.00 C ATOM 544 C LYS A 39 6.611 -8.117 6.386 1.00 0.00 C ATOM 545 O LYS A 39 6.428 -7.062 5.782 1.00 0.00 O ATOM 546 CB LYS A 39 6.585 -10.593 5.729 1.00 0.00 C ATOM 547 CG LYS A 39 6.487 -11.181 4.320 1.00 0.00 C ATOM 548 CD LYS A 39 7.781 -11.901 3.936 1.00 0.00 C ATOM 549 CE LYS A 39 8.376 -11.314 2.654 1.00 0.00 C ATOM 550 NZ LYS A 39 9.545 -10.462 2.968 1.00 0.00 N ATOM 0 H LYS A 39 8.906 -10.404 6.568 1.00 0.00 H new ATOM 0 HA LYS A 39 7.480 -9.010 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.081 -11.304 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.584 -10.430 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.650 -11.878 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.283 -10.386 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.503 -11.816 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.582 -12.963 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.675 -12.119 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.621 -10.727 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.937 -10.072 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.250 -9.683 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.271 -11.032 3.447 1.00 0.00 H new ATOM 564 N SER A 40 6.198 -8.355 7.622 1.00 0.00 N ATOM 565 CA SER A 40 5.474 -7.347 8.377 1.00 0.00 C ATOM 566 C SER A 40 6.154 -5.986 8.218 1.00 0.00 C ATOM 567 O SER A 40 5.550 -5.042 7.710 1.00 0.00 O ATOM 568 CB SER A 40 5.384 -7.726 9.857 1.00 0.00 C ATOM 569 OG SER A 40 6.493 -8.517 10.274 1.00 0.00 O ATOM 0 H SER A 40 6.351 -9.232 8.120 1.00 0.00 H new ATOM 0 HA SER A 40 4.459 -7.288 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.338 -6.820 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.460 -8.275 10.035 1.00 0.00 H new ATOM 0 HG SER A 40 6.399 -8.737 11.224 1.00 0.00 H new ATOM 575 N THR A 41 7.400 -5.927 8.664 1.00 0.00 N ATOM 576 CA THR A 41 8.169 -4.696 8.577 1.00 0.00 C ATOM 577 C THR A 41 7.993 -4.054 7.200 1.00 0.00 C ATOM 578 O THR A 41 8.021 -2.831 7.073 1.00 0.00 O ATOM 579 CB THR A 41 9.624 -5.023 8.914 1.00 0.00 C ATOM 580 OG1 THR A 41 9.566 -5.539 10.241 1.00 0.00 O ATOM 581 CG2 THR A 41 10.492 -3.770 9.040 1.00 0.00 C ATOM 0 H THR A 41 7.897 -6.711 9.087 1.00 0.00 H new ATOM 0 HA THR A 41 7.813 -3.956 9.294 1.00 0.00 H new ATOM 0 HB THR A 41 10.037 -5.675 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.468 -5.779 10.539 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.515 -4.059 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.481 -3.223 8.097 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.099 -3.133 9.833 1.00 0.00 H new ATOM 589 N GLN A 42 7.818 -4.908 6.202 1.00 0.00 N ATOM 590 CA GLN A 42 7.638 -4.439 4.838 1.00 0.00 C ATOM 591 C GLN A 42 6.231 -3.869 4.654 1.00 0.00 C ATOM 592 O GLN A 42 6.069 -2.738 4.199 1.00 0.00 O ATOM 593 CB GLN A 42 7.912 -5.560 3.833 1.00 0.00 C ATOM 594 CG GLN A 42 8.060 -5.001 2.416 1.00 0.00 C ATOM 595 CD GLN A 42 8.691 -6.035 1.482 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.590 -6.774 1.848 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.170 -6.047 0.258 1.00 0.00 N ATOM 0 H GLN A 42 7.797 -5.922 6.311 1.00 0.00 H new ATOM 0 HA GLN A 42 8.358 -3.643 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.821 -6.092 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.098 -6.284 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.082 -4.708 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.676 -4.102 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.418 -5.401 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.522 -6.702 -0.440 1.00 0.00 H new ATOM 606 N PHE A 43 5.246 -4.679 5.016 1.00 0.00 N ATOM 607 CA PHE A 43 3.858 -4.271 4.896 1.00 0.00 C ATOM 608 C PHE A 43 3.604 -2.964 5.652 1.00 0.00 C ATOM 609 O PHE A 43 3.363 -1.925 5.039 1.00 0.00 O ATOM 610 CB PHE A 43 3.009 -5.379 5.520 1.00 0.00 C ATOM 611 CG PHE A 43 1.602 -4.934 5.923 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.623 -4.840 4.984 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.330 -4.633 7.221 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.683 -4.427 5.358 1.00 0.00 C ATOM 615 CE2 PHE A 43 0.024 -4.219 7.596 1.00 0.00 C ATOM 616 CZ PHE A 43 -0.955 -4.125 6.656 1.00 0.00 C ATOM 0 H PHE A 43 5.383 -5.617 5.393 1.00 0.00 H new ATOM 0 HA PHE A 43 3.608 -4.109 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.929 -6.204 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.523 -5.764 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.839 -5.080 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.107 -4.709 7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.460 -4.353 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.192 -3.979 8.627 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.948 -3.811 6.940 1.00 0.00 H new ATOM 626 N GLU A 44 3.665 -3.059 6.971 1.00 0.00 N ATOM 627 CA GLU A 44 3.445 -1.899 7.817 1.00 0.00 C ATOM 628 C GLU A 44 4.051 -0.650 7.172 1.00 0.00 C ATOM 629 O GLU A 44 3.336 0.148 6.567 1.00 0.00 O ATOM 630 CB GLU A 44 4.017 -2.124 9.218 1.00 0.00 C ATOM 631 CG GLU A 44 3.214 -3.184 9.974 1.00 0.00 C ATOM 632 CD GLU A 44 3.929 -4.536 9.949 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.169 -4.525 10.103 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.220 -5.550 9.776 1.00 0.00 O ATOM 0 H GLU A 44 3.864 -3.923 7.476 1.00 0.00 H new ATOM 0 HA GLU A 44 2.370 -1.748 7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.059 -2.436 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.004 -1.187 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.067 -2.866 11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.225 -3.283 9.527 1.00 0.00 H new ATOM 641 N TYR A 45 5.360 -0.520 7.323 1.00 0.00 N ATOM 642 CA TYR A 45 6.069 0.618 6.763 1.00 0.00 C ATOM 643 C TYR A 45 5.441 1.058 5.439 1.00 0.00 C ATOM 644 O TYR A 45 5.108 2.229 5.264 1.00 0.00 O ATOM 645 CB TYR A 45 7.497 0.137 6.501 1.00 0.00 C ATOM 646 CG TYR A 45 8.387 1.176 5.816 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.471 2.456 6.323 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.107 0.832 4.689 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.309 3.433 5.678 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.945 1.809 4.043 1.00 0.00 C ATOM 651 CZ TYR A 45 10.004 3.061 4.569 1.00 0.00 C ATOM 652 OH TYR A 45 10.795 3.984 3.959 1.00 0.00 O ATOM 0 H TYR A 45 5.949 -1.184 7.825 1.00 0.00 H new ATOM 0 HA TYR A 45 6.032 1.467 7.446 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.953 -0.149 7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.460 -0.759 5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.908 2.725 7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.042 -0.170 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.384 4.438 6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.513 1.553 3.161 1.00 0.00 H new ATOM 0 HH TYR A 45 11.231 3.578 3.181 1.00 0.00 H new ATOM 662 N ALA A 46 5.298 0.095 4.541 1.00 0.00 N ATOM 663 CA ALA A 46 4.715 0.368 3.238 1.00 0.00 C ATOM 664 C ALA A 46 3.326 0.982 3.423 1.00 0.00 C ATOM 665 O ALA A 46 3.092 2.125 3.035 1.00 0.00 O ATOM 666 CB ALA A 46 4.678 -0.921 2.414 1.00 0.00 C ATOM 0 H ALA A 46 5.576 -0.875 4.690 1.00 0.00 H new ATOM 0 HA ALA A 46 5.323 1.088 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.241 -0.716 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.692 -1.300 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.075 -1.667 2.932 1.00 0.00 H new ATOM 672 N TRP A 47 2.441 0.195 4.016 1.00 0.00 N ATOM 673 CA TRP A 47 1.082 0.646 4.257 1.00 0.00 C ATOM 674 C TRP A 47 1.152 2.005 4.957 1.00 0.00 C ATOM 675 O TRP A 47 0.250 2.829 4.813 1.00 0.00 O ATOM 676 CB TRP A 47 0.291 -0.395 5.052 1.00 0.00 C ATOM 677 CG TRP A 47 -1.037 0.124 5.608 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.450 0.133 6.883 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.116 0.711 4.851 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.711 0.681 7.002 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.128 1.044 5.727 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.232 0.954 3.470 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.330 1.638 5.321 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.438 1.547 3.080 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.467 1.888 3.949 1.00 0.00 C ATOM 0 H TRP A 47 2.639 -0.753 4.337 1.00 0.00 H new ATOM 0 HA TRP A 47 0.543 0.765 3.317 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.094 -1.254 4.411 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.906 -0.749 5.879 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.869 -0.241 7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.240 0.798 7.866 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.452 0.703 2.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.108 1.889 6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.579 1.754 2.029 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.369 2.344 3.569 1.00 0.00 H new ATOM 696 N CYS A 48 2.232 2.196 5.701 1.00 0.00 N ATOM 697 CA CYS A 48 2.431 3.441 6.424 1.00 0.00 C ATOM 698 C CYS A 48 2.689 4.553 5.404 1.00 0.00 C ATOM 699 O CYS A 48 2.217 5.676 5.573 1.00 0.00 O ATOM 700 CB CYS A 48 3.568 3.328 7.443 1.00 0.00 C ATOM 701 SG CYS A 48 2.881 3.207 9.135 1.00 0.00 S ATOM 0 H CYS A 48 2.978 1.510 5.819 1.00 0.00 H new ATOM 0 HA CYS A 48 1.536 3.677 7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.177 2.451 7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.222 4.197 7.368 1.00 0.00 H new ATOM 0 HG CYS A 48 3.571 2.347 9.823 1.00 0.00 H new ATOM 707 N LEU A 49 3.437 4.200 4.369 1.00 0.00 N ATOM 708 CA LEU A 49 3.762 5.154 3.322 1.00 0.00 C ATOM 709 C LEU A 49 2.475 5.602 2.627 1.00 0.00 C ATOM 710 O LEU A 49 2.112 6.776 2.681 1.00 0.00 O ATOM 711 CB LEU A 49 4.804 4.568 2.368 1.00 0.00 C ATOM 712 CG LEU A 49 6.266 4.720 2.795 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.182 3.845 1.936 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.692 6.189 2.774 1.00 0.00 C ATOM 0 H LEU A 49 3.827 3.267 4.233 1.00 0.00 H new ATOM 0 HA LEU A 49 4.220 6.046 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.593 3.507 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.680 5.039 1.393 1.00 0.00 H new ATOM 0 HG LEU A 49 6.360 4.372 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.215 3.972 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.893 2.800 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.091 4.140 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.735 6.270 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.579 6.586 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.066 6.759 3.460 1.00 0.00 H new ATOM 726 N VAL A 50 1.819 4.641 1.991 1.00 0.00 N ATOM 727 CA VAL A 50 0.580 4.923 1.286 1.00 0.00 C ATOM 728 C VAL A 50 -0.335 5.757 2.184 1.00 0.00 C ATOM 729 O VAL A 50 -1.159 6.527 1.693 1.00 0.00 O ATOM 730 CB VAL A 50 -0.067 3.614 0.824 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.710 3.001 -0.343 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.187 2.624 1.983 1.00 0.00 C ATOM 0 H VAL A 50 2.122 3.668 1.950 1.00 0.00 H new ATOM 0 HA VAL A 50 0.776 5.509 0.388 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.073 3.842 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.230 2.073 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.721 3.700 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.733 2.794 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.650 1.703 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.805 2.403 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.802 3.059 2.771 1.00 0.00 H new ATOM 742 N ARG A 51 -0.158 5.577 3.485 1.00 0.00 N ATOM 743 CA ARG A 51 -0.958 6.304 4.457 1.00 0.00 C ATOM 744 C ARG A 51 -0.448 7.740 4.595 1.00 0.00 C ATOM 745 O ARG A 51 -1.235 8.665 4.785 1.00 0.00 O ATOM 746 CB ARG A 51 -0.917 5.621 5.825 1.00 0.00 C ATOM 747 CG ARG A 51 -2.116 4.688 6.010 1.00 0.00 C ATOM 748 CD ARG A 51 -2.001 3.901 7.316 1.00 0.00 C ATOM 749 NE ARG A 51 -2.027 4.827 8.470 1.00 0.00 N ATOM 750 CZ ARG A 51 -2.283 4.451 9.730 1.00 0.00 C ATOM 751 NH1 ARG A 51 -2.538 3.164 10.006 1.00 0.00 N ATOM 752 NH2 ARG A 51 -2.285 5.361 10.714 1.00 0.00 N ATOM 0 H ARG A 51 0.527 4.939 3.889 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.988 6.313 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.008 5.053 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.914 6.375 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.038 5.270 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.177 3.997 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.821 3.187 7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.076 3.325 7.323 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.838 5.814 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.537 2.472 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.733 2.877 10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.092 6.340 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.480 5.074 11.673 1.00 0.00 H new ATOM 766 N SER A 52 0.865 7.880 4.493 1.00 0.00 N ATOM 767 CA SER A 52 1.489 9.187 4.605 1.00 0.00 C ATOM 768 C SER A 52 0.690 10.218 3.805 1.00 0.00 C ATOM 769 O SER A 52 -0.168 9.856 3.002 1.00 0.00 O ATOM 770 CB SER A 52 2.940 9.149 4.122 1.00 0.00 C ATOM 771 OG SER A 52 3.709 10.224 4.655 1.00 0.00 O ATOM 0 H SER A 52 1.514 7.110 4.334 1.00 0.00 H new ATOM 0 HA SER A 52 1.493 9.475 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.393 8.201 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.961 9.194 3.033 1.00 0.00 H new ATOM 0 HG SER A 52 4.630 10.163 4.324 1.00 0.00 H new ATOM 777 N LYS A 53 1.000 11.483 4.052 1.00 0.00 N ATOM 778 CA LYS A 53 0.323 12.568 3.363 1.00 0.00 C ATOM 779 C LYS A 53 1.034 12.849 2.038 1.00 0.00 C ATOM 780 O LYS A 53 0.449 13.436 1.129 1.00 0.00 O ATOM 781 CB LYS A 53 0.212 13.793 4.273 1.00 0.00 C ATOM 782 CG LYS A 53 1.589 14.226 4.781 1.00 0.00 C ATOM 783 CD LYS A 53 1.910 15.656 4.345 1.00 0.00 C ATOM 784 CE LYS A 53 2.423 16.486 5.524 1.00 0.00 C ATOM 785 NZ LYS A 53 1.981 17.893 5.398 1.00 0.00 N ATOM 0 H LYS A 53 1.711 11.780 4.720 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.701 12.285 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.253 14.614 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.436 13.564 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.617 14.159 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.351 13.546 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.660 15.639 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.017 16.122 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.055 16.065 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.512 16.442 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.337 18.443 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.353 18.296 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.942 17.931 5.385 1.00 0.00 H new ATOM 799 N TYR A 54 2.284 12.417 1.971 1.00 0.00 N ATOM 800 CA TYR A 54 3.081 12.614 0.771 1.00 0.00 C ATOM 801 C TYR A 54 2.739 11.569 -0.292 1.00 0.00 C ATOM 802 O TYR A 54 2.401 10.433 0.036 1.00 0.00 O ATOM 803 CB TYR A 54 4.539 12.432 1.199 1.00 0.00 C ATOM 804 CG TYR A 54 5.204 13.716 1.703 1.00 0.00 C ATOM 805 CD1 TYR A 54 4.850 14.242 2.928 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.159 14.345 0.931 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.475 15.449 3.402 1.00 0.00 C ATOM 808 CE2 TYR A 54 6.785 15.553 1.404 1.00 0.00 C ATOM 809 CZ TYR A 54 6.412 16.044 2.617 1.00 0.00 C ATOM 810 OH TYR A 54 7.004 17.185 3.064 1.00 0.00 O ATOM 0 H TYR A 54 2.765 11.931 2.728 1.00 0.00 H new ATOM 0 HA TYR A 54 2.891 13.597 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.585 11.678 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.110 12.047 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.103 13.748 3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.437 13.932 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.206 15.872 4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.533 16.057 0.810 1.00 0.00 H new ATOM 0 HH TYR A 54 7.653 17.498 2.400 1.00 0.00 H new ATOM 820 N ASN A 55 2.842 11.990 -1.544 1.00 0.00 N ATOM 821 CA ASN A 55 2.548 11.103 -2.657 1.00 0.00 C ATOM 822 C ASN A 55 3.789 10.269 -2.980 1.00 0.00 C ATOM 823 O ASN A 55 3.690 9.062 -3.200 1.00 0.00 O ATOM 824 CB ASN A 55 2.175 11.899 -3.910 1.00 0.00 C ATOM 825 CG ASN A 55 0.750 12.448 -3.807 1.00 0.00 C ATOM 826 OD1 ASN A 55 -0.182 11.760 -3.426 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.636 13.724 -4.165 1.00 0.00 N ATOM 0 H ASN A 55 3.125 12.933 -1.812 1.00 0.00 H new ATOM 0 HA ASN A 55 1.711 10.467 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.877 12.722 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.260 11.261 -4.789 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.274 14.184 -4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.458 14.242 -4.475 1.00 0.00 H new ATOM 834 N GLU A 56 4.928 10.943 -2.998 1.00 0.00 N ATOM 835 CA GLU A 56 6.188 10.279 -3.290 1.00 0.00 C ATOM 836 C GLU A 56 6.364 9.056 -2.388 1.00 0.00 C ATOM 837 O GLU A 56 7.008 8.083 -2.774 1.00 0.00 O ATOM 838 CB GLU A 56 7.365 11.245 -3.142 1.00 0.00 C ATOM 839 CG GLU A 56 7.864 11.716 -4.509 1.00 0.00 C ATOM 840 CD GLU A 56 9.131 12.560 -4.369 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.102 12.034 -3.783 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.102 13.713 -4.850 1.00 0.00 O ATOM 0 H GLU A 56 5.006 11.943 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 56 6.167 9.942 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.061 12.105 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.176 10.755 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.066 10.853 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.087 12.300 -5.003 1.00 0.00 H new ATOM 849 N ASP A 57 5.779 9.146 -1.202 1.00 0.00 N ATOM 850 CA ASP A 57 5.864 8.059 -0.241 1.00 0.00 C ATOM 851 C ASP A 57 4.940 6.922 -0.682 1.00 0.00 C ATOM 852 O ASP A 57 5.303 5.750 -0.588 1.00 0.00 O ATOM 853 CB ASP A 57 5.419 8.517 1.149 1.00 0.00 C ATOM 854 CG ASP A 57 6.507 9.197 1.984 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.265 9.992 1.388 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.554 8.906 3.199 1.00 0.00 O ATOM 0 H ASP A 57 5.244 9.955 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 57 6.902 7.728 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.583 9.207 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.047 7.652 1.699 1.00 0.00 H new ATOM 861 N ILE A 58 3.764 7.307 -1.154 1.00 0.00 N ATOM 862 CA ILE A 58 2.785 6.334 -1.610 1.00 0.00 C ATOM 863 C ILE A 58 3.469 5.324 -2.533 1.00 0.00 C ATOM 864 O ILE A 58 3.361 4.116 -2.325 1.00 0.00 O ATOM 865 CB ILE A 58 1.586 7.039 -2.249 1.00 0.00 C ATOM 866 CG1 ILE A 58 0.818 7.862 -1.213 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.683 6.037 -2.971 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.222 8.759 -1.887 1.00 0.00 C ATOM 0 H ILE A 58 3.466 8.280 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 58 2.383 5.774 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 58 1.959 7.736 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.325 7.195 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.515 8.474 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.161 6.563 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.251 5.534 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.315 5.299 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.754 9.333 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.277 9.441 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.931 8.142 -2.439 1.00 0.00 H new ATOM 880 N ARG A 59 4.156 5.855 -3.532 1.00 0.00 N ATOM 881 CA ARG A 59 4.857 5.014 -4.488 1.00 0.00 C ATOM 882 C ARG A 59 5.810 4.064 -3.760 1.00 0.00 C ATOM 883 O ARG A 59 5.868 2.876 -4.074 1.00 0.00 O ATOM 884 CB ARG A 59 5.654 5.859 -5.485 1.00 0.00 C ATOM 885 CG ARG A 59 5.995 5.052 -6.739 1.00 0.00 C ATOM 886 CD ARG A 59 6.883 5.859 -7.687 1.00 0.00 C ATOM 887 NE ARG A 59 6.402 5.715 -9.078 1.00 0.00 N ATOM 888 CZ ARG A 59 6.546 4.602 -9.811 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.158 3.530 -9.289 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.078 4.560 -11.066 1.00 0.00 N ATOM 0 H ARG A 59 4.243 6.857 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 59 4.109 4.438 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.077 6.741 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.572 6.213 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.503 4.130 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.077 4.765 -7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.876 6.910 -7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.915 5.515 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 59 5.931 6.512 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.514 3.561 -8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.267 2.683 -9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.612 5.375 -11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.188 3.713 -11.623 1.00 0.00 H new ATOM 904 N ARG A 60 6.534 4.622 -2.801 1.00 0.00 N ATOM 905 CA ARG A 60 7.481 3.839 -2.027 1.00 0.00 C ATOM 906 C ARG A 60 6.739 2.881 -1.091 1.00 0.00 C ATOM 907 O ARG A 60 7.360 2.069 -0.409 1.00 0.00 O ATOM 908 CB ARG A 60 8.395 4.743 -1.197 1.00 0.00 C ATOM 909 CG ARG A 60 9.553 5.277 -2.044 1.00 0.00 C ATOM 910 CD ARG A 60 9.484 6.801 -2.166 1.00 0.00 C ATOM 911 NE ARG A 60 10.851 7.366 -2.208 1.00 0.00 N ATOM 912 CZ ARG A 60 11.137 8.609 -2.619 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.154 9.424 -3.024 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.407 9.039 -2.623 1.00 0.00 N ATOM 0 H ARG A 60 6.484 5.607 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 60 8.090 3.269 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.820 5.577 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.788 4.186 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.502 4.987 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.521 4.827 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.939 7.078 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.935 7.218 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 60 11.623 6.773 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.187 9.099 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.372 10.370 -3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.156 8.420 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.624 9.985 -2.936 1.00 0.00 H new ATOM 928 N GLY A 61 5.420 3.008 -1.092 1.00 0.00 N ATOM 929 CA GLY A 61 4.586 2.164 -0.253 1.00 0.00 C ATOM 930 C GLY A 61 3.935 1.049 -1.073 1.00 0.00 C ATOM 931 O GLY A 61 3.636 -0.021 -0.544 1.00 0.00 O ATOM 0 H GLY A 61 4.908 3.683 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.188 1.729 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.814 2.768 0.224 1.00 0.00 H new ATOM 935 N ILE A 62 3.734 1.337 -2.350 1.00 0.00 N ATOM 936 CA ILE A 62 3.124 0.371 -3.248 1.00 0.00 C ATOM 937 C ILE A 62 4.126 -0.745 -3.547 1.00 0.00 C ATOM 938 O ILE A 62 3.870 -1.911 -3.251 1.00 0.00 O ATOM 939 CB ILE A 62 2.588 1.068 -4.500 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.558 2.138 -4.134 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.029 0.051 -5.498 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.208 3.001 -5.347 1.00 0.00 C ATOM 0 H ILE A 62 3.983 2.226 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 62 2.259 -0.095 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 62 3.419 1.576 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.656 1.663 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.951 2.768 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.655 0.573 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.818 -0.640 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.215 -0.506 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.474 3.753 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.108 3.494 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.792 2.371 -6.134 1.00 0.00 H new ATOM 954 N VAL A 63 5.248 -0.350 -4.131 1.00 0.00 N ATOM 955 CA VAL A 63 6.290 -1.302 -4.473 1.00 0.00 C ATOM 956 C VAL A 63 6.347 -2.396 -3.405 1.00 0.00 C ATOM 957 O VAL A 63 6.115 -3.568 -3.698 1.00 0.00 O ATOM 958 CB VAL A 63 7.624 -0.576 -4.657 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.718 0.640 -3.731 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.802 -1.527 -4.434 1.00 0.00 C ATOM 0 H VAL A 63 5.458 0.618 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 63 6.066 -1.787 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 63 7.672 -0.219 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.676 1.139 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.908 1.334 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.637 0.315 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.738 -0.985 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.759 -1.928 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.749 -2.346 -5.151 1.00 0.00 H new ATOM 970 N LEU A 64 6.656 -1.973 -2.188 1.00 0.00 N ATOM 971 CA LEU A 64 6.746 -2.901 -1.073 1.00 0.00 C ATOM 972 C LEU A 64 5.531 -3.832 -1.091 1.00 0.00 C ATOM 973 O LEU A 64 5.671 -5.038 -1.282 1.00 0.00 O ATOM 974 CB LEU A 64 6.921 -2.143 0.243 1.00 0.00 C ATOM 975 CG LEU A 64 7.760 -0.866 0.175 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.163 -0.398 1.575 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.974 -1.055 -0.737 1.00 0.00 C ATOM 0 H LEU A 64 6.847 -1.000 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 64 7.631 -3.529 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.933 -1.885 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.378 -2.816 0.969 1.00 0.00 H new ATOM 0 HG LEU A 64 7.147 -0.079 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.759 0.512 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.268 -0.196 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.750 -1.176 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.553 -0.132 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.597 -1.862 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.638 -1.306 -1.743 1.00 0.00 H new ATOM 989 N LEU A 65 4.365 -3.234 -0.888 1.00 0.00 N ATOM 990 CA LEU A 65 3.127 -3.993 -0.877 1.00 0.00 C ATOM 991 C LEU A 65 3.050 -4.852 -2.141 1.00 0.00 C ATOM 992 O LEU A 65 2.537 -5.971 -2.105 1.00 0.00 O ATOM 993 CB LEU A 65 1.928 -3.060 -0.695 1.00 0.00 C ATOM 994 CG LEU A 65 1.975 -2.139 0.526 1.00 0.00 C ATOM 995 CD1 LEU A 65 1.064 -0.925 0.333 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.643 -2.908 1.806 1.00 0.00 C ATOM 0 H LEU A 65 4.253 -2.233 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 65 3.105 -4.673 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.835 -2.442 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.026 -3.668 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 65 2.993 -1.763 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.116 -0.287 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.389 -0.362 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.037 -1.260 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.683 -2.230 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.642 -3.332 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.367 -3.711 1.946 1.00 0.00 H new ATOM 1008 N GLU A 66 3.566 -4.298 -3.228 1.00 0.00 N ATOM 1009 CA GLU A 66 3.563 -5.000 -4.500 1.00 0.00 C ATOM 1010 C GLU A 66 4.516 -6.195 -4.449 1.00 0.00 C ATOM 1011 O GLU A 66 4.445 -7.087 -5.294 1.00 0.00 O ATOM 1012 CB GLU A 66 3.928 -4.056 -5.648 1.00 0.00 C ATOM 1013 CG GLU A 66 2.681 -3.377 -6.217 1.00 0.00 C ATOM 1014 CD GLU A 66 2.993 -2.681 -7.543 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.951 -1.879 -7.552 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.266 -2.967 -8.520 1.00 0.00 O ATOM 0 H GLU A 66 3.989 -3.370 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 66 2.555 -5.372 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.628 -3.300 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.434 -4.614 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.896 -4.118 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.300 -2.649 -5.501 1.00 0.00 H new ATOM 1023 N GLU A 67 5.387 -6.176 -3.450 1.00 0.00 N ATOM 1024 CA GLU A 67 6.353 -7.248 -3.278 1.00 0.00 C ATOM 1025 C GLU A 67 5.808 -8.302 -2.312 1.00 0.00 C ATOM 1026 O GLU A 67 6.151 -9.479 -2.416 1.00 0.00 O ATOM 1027 CB GLU A 67 7.697 -6.702 -2.794 1.00 0.00 C ATOM 1028 CG GLU A 67 8.517 -6.150 -3.961 1.00 0.00 C ATOM 1029 CD GLU A 67 10.014 -6.363 -3.730 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.415 -7.544 -3.665 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.723 -5.338 -3.622 1.00 0.00 O ATOM 0 H GLU A 67 5.444 -5.435 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 67 6.519 -7.721 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.530 -5.915 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.256 -7.493 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.215 -6.641 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.312 -5.086 -4.083 1.00 0.00 H new ATOM 1038 N LEU A 68 4.971 -7.843 -1.395 1.00 0.00 N ATOM 1039 CA LEU A 68 4.376 -8.731 -0.411 1.00 0.00 C ATOM 1040 C LEU A 68 3.206 -9.482 -1.049 1.00 0.00 C ATOM 1041 O LEU A 68 2.815 -10.547 -0.574 1.00 0.00 O ATOM 1042 CB LEU A 68 3.995 -7.956 0.851 1.00 0.00 C ATOM 1043 CG LEU A 68 5.142 -7.254 1.581 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.621 -6.105 2.445 1.00 0.00 C ATOM 1045 CD2 LEU A 68 5.969 -8.254 2.392 1.00 0.00 C ATOM 0 H LEU A 68 4.690 -6.866 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 68 5.099 -9.481 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.250 -7.207 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.517 -8.646 1.546 1.00 0.00 H new ATOM 0 HG LEU A 68 5.806 -6.818 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.457 -5.623 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.112 -5.377 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.923 -6.494 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.778 -7.729 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.331 -8.740 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.389 -9.006 1.724 1.00 0.00 H new ATOM 1057 N LEU A 69 2.681 -8.897 -2.115 1.00 0.00 N ATOM 1058 CA LEU A 69 1.563 -9.497 -2.824 1.00 0.00 C ATOM 1059 C LEU A 69 1.821 -10.996 -2.998 1.00 0.00 C ATOM 1060 O LEU A 69 1.081 -11.823 -2.467 1.00 0.00 O ATOM 1061 CB LEU A 69 1.304 -8.759 -4.139 1.00 0.00 C ATOM 1062 CG LEU A 69 0.037 -7.903 -4.189 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.202 -8.735 -3.853 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.167 -6.678 -3.281 1.00 0.00 C ATOM 0 H LEU A 69 3.009 -8.014 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 69 0.645 -9.397 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.160 -8.118 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.254 -9.495 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.087 -7.538 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.088 -8.102 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.301 -9.547 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.101 -9.150 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.747 -6.086 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.329 -7.003 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.012 -6.071 -3.607 1.00 0.00 H new ATOM 1076 N PRO A 70 2.900 -11.307 -3.766 1.00 0.00 N ATOM 1077 CA PRO A 70 3.264 -12.690 -4.017 1.00 0.00 C ATOM 1078 C PRO A 70 3.916 -13.320 -2.784 1.00 0.00 C ATOM 1079 O PRO A 70 3.848 -14.532 -2.592 1.00 0.00 O ATOM 1080 CB PRO A 70 4.193 -12.640 -5.219 1.00 0.00 C ATOM 1081 CG PRO A 70 4.683 -11.204 -5.307 1.00 0.00 C ATOM 1082 CD PRO A 70 3.798 -10.353 -4.410 1.00 0.00 C ATOM 0 HA PRO A 70 2.399 -13.321 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.027 -13.331 -5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.669 -12.931 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.724 -11.136 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.638 -10.848 -6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.388 -9.806 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.243 -9.614 -4.987 1.00 0.00 H new ATOM 1090 N LYS A 71 4.533 -12.466 -1.980 1.00 0.00 N ATOM 1091 CA LYS A 71 5.196 -12.922 -0.771 1.00 0.00 C ATOM 1092 C LYS A 71 4.211 -12.865 0.399 1.00 0.00 C ATOM 1093 O LYS A 71 4.599 -12.566 1.527 1.00 0.00 O ATOM 1094 CB LYS A 71 6.481 -12.126 -0.532 1.00 0.00 C ATOM 1095 CG LYS A 71 7.386 -12.161 -1.766 1.00 0.00 C ATOM 1096 CD LYS A 71 8.663 -11.353 -1.532 1.00 0.00 C ATOM 1097 CE LYS A 71 9.400 -11.101 -2.849 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.516 -10.149 -2.644 1.00 0.00 N ATOM 0 H LYS A 71 4.587 -11.461 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 71 5.507 -13.961 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.233 -11.093 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.013 -12.537 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.643 -13.193 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.850 -11.760 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.415 -10.401 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.316 -11.889 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.784 -12.042 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.707 -10.704 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.289 -9.244 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.657 -9.994 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.386 -10.540 -3.059 1.00 0.00 H new ATOM 1112 N GLY A 72 2.957 -13.157 0.088 1.00 0.00 N ATOM 1113 CA GLY A 72 1.912 -13.142 1.099 1.00 0.00 C ATOM 1114 C GLY A 72 0.849 -14.201 0.804 1.00 0.00 C ATOM 1115 O GLY A 72 0.821 -14.771 -0.286 1.00 0.00 O ATOM 0 H GLY A 72 2.640 -13.405 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.349 -13.324 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.449 -12.156 1.133 1.00 0.00 H new ATOM 1119 N SER A 73 0.000 -14.434 1.794 1.00 0.00 N ATOM 1120 CA SER A 73 -1.062 -15.414 1.654 1.00 0.00 C ATOM 1121 C SER A 73 -2.149 -14.879 0.720 1.00 0.00 C ATOM 1122 O SER A 73 -2.064 -13.747 0.248 1.00 0.00 O ATOM 1123 CB SER A 73 -1.663 -15.774 3.015 1.00 0.00 C ATOM 1124 OG SER A 73 -0.658 -16.079 3.978 1.00 0.00 O ATOM 0 H SER A 73 0.027 -13.960 2.697 1.00 0.00 H new ATOM 0 HA SER A 73 -0.635 -16.320 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.270 -14.943 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.329 -16.630 2.902 1.00 0.00 H new ATOM 0 HG SER A 73 -1.081 -16.302 4.833 1.00 0.00 H new ATOM 1130 N LYS A 74 -3.146 -15.719 0.481 1.00 0.00 N ATOM 1131 CA LYS A 74 -4.247 -15.345 -0.388 1.00 0.00 C ATOM 1132 C LYS A 74 -5.116 -14.302 0.316 1.00 0.00 C ATOM 1133 O LYS A 74 -5.457 -13.274 -0.269 1.00 0.00 O ATOM 1134 CB LYS A 74 -5.021 -16.586 -0.839 1.00 0.00 C ATOM 1135 CG LYS A 74 -5.425 -16.476 -2.310 1.00 0.00 C ATOM 1136 CD LYS A 74 -4.243 -16.791 -3.230 1.00 0.00 C ATOM 1137 CE LYS A 74 -4.726 -17.176 -4.630 1.00 0.00 C ATOM 1138 NZ LYS A 74 -4.353 -18.573 -4.940 1.00 0.00 N ATOM 0 H LYS A 74 -3.213 -16.658 0.875 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.870 -14.884 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.407 -17.475 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.911 -16.708 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.245 -17.163 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.792 -15.470 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.586 -15.924 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.655 -17.606 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.808 -17.060 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.290 -16.504 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.688 -18.818 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.319 -18.673 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.790 -19.211 -4.245 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.450 -14.601 1.563 1.00 0.00 N ATOM 1153 CA GLU A 75 -6.273 -13.701 2.354 1.00 0.00 C ATOM 1154 C GLU A 75 -5.458 -12.483 2.791 1.00 0.00 C ATOM 1155 O GLU A 75 -5.999 -11.548 3.381 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.869 -14.425 3.563 1.00 0.00 C ATOM 1157 CG GLU A 75 -5.768 -14.925 4.501 1.00 0.00 C ATOM 1158 CD GLU A 75 -6.201 -16.202 5.224 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -6.913 -16.063 6.242 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -5.811 -17.286 4.741 1.00 0.00 O ATOM 0 H GLU A 75 -5.166 -15.454 2.045 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.100 -13.356 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.534 -13.751 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.474 -15.267 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.859 -15.116 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.529 -14.152 5.232 1.00 0.00 H new ATOM 1167 N GLU A 76 -4.169 -12.532 2.486 1.00 0.00 N ATOM 1168 CA GLU A 76 -3.274 -11.444 2.840 1.00 0.00 C ATOM 1169 C GLU A 76 -3.239 -10.400 1.722 1.00 0.00 C ATOM 1170 O GLU A 76 -3.130 -9.203 1.987 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.869 -11.966 3.145 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.747 -12.385 4.612 1.00 0.00 C ATOM 1173 CD GLU A 76 -0.454 -11.848 5.230 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -0.452 -10.651 5.589 1.00 0.00 O ATOM 1175 OE2 GLU A 76 0.502 -12.647 5.329 1.00 0.00 O ATOM 0 H GLU A 76 -3.724 -13.309 1.997 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.654 -10.968 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.645 -12.816 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.133 -11.193 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.604 -12.013 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.766 -13.472 4.686 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.335 -10.891 0.495 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.316 -10.015 -0.665 1.00 0.00 C ATOM 1184 C GLN A 77 -4.519 -9.070 -0.637 1.00 0.00 C ATOM 1185 O GLN A 77 -4.451 -7.955 -1.153 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.286 -10.824 -1.964 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.920 -11.482 -2.167 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.838 -12.165 -3.533 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.664 -11.961 -4.408 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.801 -12.986 -3.667 1.00 0.00 N ATOM 0 H GLN A 77 -3.426 -11.884 0.279 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.406 -9.416 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.062 -11.589 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.509 -10.172 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.135 -10.731 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.745 -12.214 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.147 -13.111 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.660 -13.491 -4.542 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.594 -9.549 -0.027 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.810 -8.762 0.075 1.00 0.00 C ATOM 1201 C ARG A 78 -6.535 -7.454 0.820 1.00 0.00 C ATOM 1202 O ARG A 78 -7.107 -6.416 0.492 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.908 -9.536 0.807 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.619 -10.506 -0.138 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.902 -11.856 -0.180 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.811 -12.928 0.282 1.00 0.00 N ATOM 1207 CZ ARG A 78 -8.659 -14.225 -0.022 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -7.633 -14.618 -0.788 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -9.535 -15.127 0.443 1.00 0.00 N ATOM 0 H ARG A 78 -5.647 -10.473 0.402 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.149 -8.543 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.474 -10.088 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.631 -8.838 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.649 -10.648 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.658 -10.080 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.565 -12.066 -1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.014 -11.825 0.451 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.603 -12.664 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.967 -13.931 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.518 -15.605 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.315 -14.826 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.421 -16.114 0.213 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.657 -7.548 1.809 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.299 -6.385 2.603 1.00 0.00 C ATOM 1225 C ASP A 79 -4.257 -5.557 1.847 1.00 0.00 C ATOM 1226 O ASP A 79 -4.099 -4.366 2.105 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.691 -6.799 3.944 1.00 0.00 C ATOM 1228 CG ASP A 79 -5.511 -6.408 5.175 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -6.635 -5.900 4.970 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -4.996 -6.625 6.293 1.00 0.00 O ATOM 0 H ASP A 79 -5.184 -8.411 2.078 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.206 -5.807 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.555 -7.880 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.700 -6.353 4.030 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.573 -6.224 0.928 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.550 -5.566 0.132 1.00 0.00 C ATOM 1237 C TYR A 80 -3.176 -4.774 -1.017 1.00 0.00 C ATOM 1238 O TYR A 80 -3.204 -3.545 -0.986 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.681 -6.684 -0.446 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.813 -7.400 0.592 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.577 -6.810 1.817 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.268 -8.633 0.302 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.240 -7.483 2.794 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.549 -9.306 1.279 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.762 -8.698 2.476 1.00 0.00 C ATOM 1246 OH TYR A 80 1.535 -9.333 3.399 1.00 0.00 O ATOM 0 H TYR A 80 -3.707 -7.213 0.717 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.978 -4.867 0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.326 -7.416 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.035 -6.266 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.005 -5.844 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.454 -9.094 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.434 -7.033 3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.983 -10.272 1.065 1.00 0.00 H new ATOM 0 HH TYR A 80 0.961 -9.743 4.079 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.660 -5.511 -2.006 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.283 -4.893 -3.164 1.00 0.00 C ATOM 1258 C VAL A 81 -4.965 -3.592 -2.738 1.00 0.00 C ATOM 1259 O VAL A 81 -4.661 -2.524 -3.267 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.243 -5.880 -3.831 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -5.989 -5.220 -4.992 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.501 -7.135 -4.299 1.00 0.00 C ATOM 0 H VAL A 81 -3.633 -6.530 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.531 -4.637 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.981 -6.184 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.665 -5.943 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.563 -4.372 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.271 -4.874 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.206 -7.820 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.731 -6.856 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.037 -7.624 -3.443 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.875 -3.724 -1.783 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.602 -2.571 -1.279 1.00 0.00 C ATOM 1274 C PHE A 82 -5.674 -1.366 -1.112 1.00 0.00 C ATOM 1275 O PHE A 82 -5.927 -0.301 -1.673 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.164 -2.961 0.090 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.705 -1.780 0.899 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.338 -0.755 0.267 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.555 -1.756 2.251 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -8.840 0.339 1.018 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.057 -0.660 3.001 1.00 0.00 C ATOM 1282 CZ PHE A 82 -8.690 0.364 2.369 1.00 0.00 C ATOM 0 H PHE A 82 -6.125 -4.611 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.390 -2.293 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.963 -3.689 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.381 -3.455 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.458 -0.774 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -7.054 -2.570 2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.342 1.153 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.936 -0.640 4.074 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.073 1.197 2.940 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.619 -1.575 -0.339 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.652 -0.519 -0.092 1.00 0.00 C ATOM 1294 C TYR A 83 -2.936 -0.118 -1.383 1.00 0.00 C ATOM 1295 O TYR A 83 -2.516 1.029 -1.534 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.628 -1.105 0.883 1.00 0.00 C ATOM 1297 CG TYR A 83 -3.175 -1.337 2.293 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.444 -0.909 2.621 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.397 -1.976 3.238 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.960 -1.127 3.948 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.911 -2.194 4.566 1.00 0.00 C ATOM 1302 CZ TYR A 83 -4.166 -1.759 4.854 1.00 0.00 C ATOM 1303 OH TYR A 83 -4.653 -1.966 6.108 1.00 0.00 O ATOM 0 H TYR A 83 -4.412 -2.460 0.125 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.146 0.369 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.263 -2.052 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.772 -0.433 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.052 -0.409 1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.403 -2.312 2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.953 -0.797 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.313 -2.691 5.315 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.979 -2.428 6.649 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.819 -1.084 -2.282 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.161 -0.846 -3.555 1.00 0.00 C ATOM 1315 C LEU A 84 -3.020 0.098 -4.399 1.00 0.00 C ATOM 1316 O LEU A 84 -2.494 0.895 -5.176 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.841 -2.171 -4.249 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.476 -2.784 -3.927 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.430 -3.291 -2.484 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.118 -3.882 -4.932 1.00 0.00 C ATOM 0 H LEU A 84 -3.169 -2.033 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.201 -0.353 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.613 -2.893 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.904 -2.019 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 84 0.280 -2.004 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.550 -3.722 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.610 -2.461 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.197 -4.052 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.856 -4.301 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.872 -4.668 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.083 -3.459 -5.936 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.327 -0.021 -4.219 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.264 0.812 -4.953 1.00 0.00 C ATOM 1334 C ALA A 85 -5.409 2.159 -4.241 1.00 0.00 C ATOM 1335 O ALA A 85 -5.148 3.207 -4.830 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.600 0.079 -5.091 1.00 0.00 C ATOM 0 H ALA A 85 -4.760 -0.683 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.895 1.009 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.303 0.704 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.448 -0.857 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.002 -0.133 -4.101 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.827 2.086 -2.986 1.00 0.00 N ATOM 1343 CA VAL A 86 -6.010 3.286 -2.188 1.00 0.00 C ATOM 1344 C VAL A 86 -4.807 4.212 -2.382 1.00 0.00 C ATOM 1345 O VAL A 86 -4.968 5.421 -2.535 1.00 0.00 O ATOM 1346 CB VAL A 86 -6.244 2.910 -0.723 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.934 2.505 -0.045 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.924 4.054 0.034 1.00 0.00 C ATOM 0 H VAL A 86 -6.044 1.215 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.896 3.830 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.912 2.049 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.128 2.243 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.507 1.646 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.232 3.338 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.079 3.762 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.292 4.941 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.886 4.275 -0.428 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.628 3.608 -2.369 1.00 0.00 N ATOM 1359 CA GLY A 87 -2.398 4.361 -2.542 1.00 0.00 C ATOM 1360 C GLY A 87 -2.263 4.867 -3.980 1.00 0.00 C ATOM 1361 O GLY A 87 -1.985 6.044 -4.205 1.00 0.00 O ATOM 0 H GLY A 87 -3.499 2.604 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.384 5.205 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.544 3.732 -2.292 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.464 3.951 -4.916 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.367 4.289 -6.326 1.00 0.00 C ATOM 1367 C ASN A 88 -3.356 5.412 -6.646 1.00 0.00 C ATOM 1368 O ASN A 88 -2.996 6.396 -7.291 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.717 3.087 -7.206 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.454 2.335 -7.634 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.482 2.913 -8.091 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.524 1.019 -7.460 1.00 0.00 N ATOM 0 H ASN A 88 -2.693 2.976 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.342 4.598 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.379 2.413 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.261 3.424 -8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.733 0.428 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.369 0.600 -7.072 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.582 5.228 -6.180 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.625 6.214 -6.408 1.00 0.00 C ATOM 1381 C TYR A 89 -5.151 7.614 -6.017 1.00 0.00 C ATOM 1382 O TYR A 89 -5.343 8.570 -6.767 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.790 5.811 -5.502 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.732 6.965 -5.150 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.790 7.271 -5.983 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.524 7.699 -4.001 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.676 8.357 -5.652 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.410 8.785 -3.670 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.442 9.060 -4.512 1.00 0.00 C ATOM 1390 OH TYR A 89 -10.280 10.085 -4.200 1.00 0.00 O ATOM 0 H TYR A 89 -4.877 4.411 -5.645 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.904 6.241 -7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.363 5.024 -5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.391 5.387 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.953 6.696 -6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.697 7.459 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.507 8.607 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.258 9.368 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.993 10.497 -3.358 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.540 7.692 -4.843 1.00 0.00 N ATOM 1401 CA ARG A 90 -4.037 8.961 -4.344 1.00 0.00 C ATOM 1402 C ARG A 90 -3.133 9.620 -5.387 1.00 0.00 C ATOM 1403 O ARG A 90 -3.104 10.845 -5.502 1.00 0.00 O ATOM 1404 CB ARG A 90 -3.251 8.768 -3.046 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.667 9.799 -1.994 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.776 11.041 -2.063 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.591 12.260 -1.867 1.00 0.00 N ATOM 1408 CZ ARG A 90 -3.964 12.731 -0.669 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -3.597 12.087 0.448 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -4.704 13.845 -0.588 1.00 0.00 N ATOM 0 H ARG A 90 -4.382 6.897 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.895 9.603 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.419 7.762 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.183 8.858 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.707 10.084 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.604 9.356 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.001 10.985 -1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.270 11.083 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.888 12.775 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.034 11.239 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.881 12.445 1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.983 14.335 -1.438 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.988 14.203 0.324 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.418 8.780 -6.120 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.515 9.267 -7.149 1.00 0.00 C ATOM 1426 C LEU A 91 -2.281 9.412 -8.465 1.00 0.00 C ATOM 1427 O LEU A 91 -1.684 9.674 -9.508 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.283 8.366 -7.250 1.00 0.00 C ATOM 1429 CG LEU A 91 0.370 7.970 -5.924 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.148 6.660 -6.066 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.246 9.102 -5.385 1.00 0.00 C ATOM 0 H LEU A 91 -2.445 7.765 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.137 10.256 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.566 7.456 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.463 8.872 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.419 7.798 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.602 6.401 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.468 5.865 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.928 6.780 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.698 8.795 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.031 9.330 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.634 9.989 -5.222 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.591 9.236 -8.374 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.444 9.343 -9.545 1.00 0.00 C ATOM 1445 C LYS A 92 -4.157 8.174 -10.489 1.00 0.00 C ATOM 1446 O LYS A 92 -4.184 8.335 -11.708 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.284 10.717 -10.201 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.721 11.833 -9.250 1.00 0.00 C ATOM 1449 CD LYS A 92 -5.763 12.739 -9.909 1.00 0.00 C ATOM 1450 CE LYS A 92 -5.585 14.192 -9.466 1.00 0.00 C ATOM 1451 NZ LYS A 92 -6.263 15.109 -10.410 1.00 0.00 N ATOM 0 H LYS A 92 -4.083 9.020 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.493 9.272 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.244 10.867 -10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.878 10.759 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.135 11.399 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.854 12.424 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.674 12.672 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.765 12.396 -9.649 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.993 14.325 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.524 14.435 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.132 16.091 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.855 14.993 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.279 14.887 -10.440 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.891 7.024 -9.890 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.598 5.828 -10.662 1.00 0.00 C ATOM 1467 C GLU A 93 -4.794 4.873 -10.634 1.00 0.00 C ATOM 1468 O GLU A 93 -4.749 3.835 -9.975 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.334 5.138 -10.149 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.079 5.896 -10.587 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.547 5.355 -11.916 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.278 5.499 -12.920 1.00 0.00 O ATOM 1473 OE2 GLU A 93 0.577 4.810 -11.898 1.00 0.00 O ATOM 0 H GLU A 93 -3.872 6.894 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.416 6.123 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.365 5.077 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.295 4.116 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.307 6.957 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.310 5.807 -9.820 1.00 0.00 H new ATOM 1480 N TYR A 94 -5.836 5.259 -11.356 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.042 4.449 -11.422 1.00 0.00 C ATOM 1482 C TYR A 94 -6.798 3.166 -12.218 1.00 0.00 C ATOM 1483 O TYR A 94 -7.088 2.070 -11.740 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.080 5.300 -12.155 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.118 6.762 -11.704 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.853 7.085 -10.389 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.417 7.757 -12.613 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.889 8.461 -9.964 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.452 9.132 -12.188 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.187 9.417 -10.885 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.219 10.716 -10.484 1.00 0.00 O ATOM 0 H TYR A 94 -5.871 6.121 -11.900 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.367 4.161 -10.422 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.873 5.266 -13.225 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.066 4.859 -12.007 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.619 6.306 -9.678 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.625 7.504 -13.642 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.684 8.728 -8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.684 9.920 -12.889 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.840 11.218 -11.052 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.266 3.344 -13.418 1.00 0.00 N ATOM 1502 CA GLU A 95 -5.980 2.213 -14.285 1.00 0.00 C ATOM 1503 C GLU A 95 -5.454 1.034 -13.463 1.00 0.00 C ATOM 1504 O GLU A 95 -5.813 -0.114 -13.720 1.00 0.00 O ATOM 1505 CB GLU A 95 -4.988 2.602 -15.383 1.00 0.00 C ATOM 1506 CG GLU A 95 -5.648 3.512 -16.421 1.00 0.00 C ATOM 1507 CD GLU A 95 -6.058 2.720 -17.663 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -5.138 2.226 -18.351 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -7.282 2.627 -17.899 1.00 0.00 O ATOM 0 H GLU A 95 -6.025 4.254 -13.811 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.907 1.908 -14.770 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.131 3.111 -14.941 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.609 1.704 -15.870 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.525 3.991 -15.985 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.958 4.307 -16.704 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.613 1.359 -12.493 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.033 0.341 -11.633 1.00 0.00 C ATOM 1518 C LYS A 96 -4.963 0.098 -10.442 1.00 0.00 C ATOM 1519 O LYS A 96 -5.392 -1.031 -10.206 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.609 0.726 -11.232 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.645 0.565 -12.409 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.550 1.860 -13.221 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.100 2.337 -13.325 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.596 1.642 -14.430 1.00 0.00 N ATOM 0 H LYS A 96 -4.319 2.313 -12.283 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.943 -0.605 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.592 1.758 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.280 0.103 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.657 0.290 -12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.983 -0.248 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.956 1.698 -14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.158 2.633 -12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.076 3.414 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.419 2.149 -12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.579 1.977 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.590 0.617 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.110 1.842 -15.327 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.248 1.174 -9.725 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.119 1.091 -8.564 1.00 0.00 C ATOM 1540 C ALA A 97 -7.261 0.116 -8.857 1.00 0.00 C ATOM 1541 O ALA A 97 -7.351 -0.944 -8.240 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.624 2.490 -8.204 1.00 0.00 C ATOM 0 H ALA A 97 -4.892 2.109 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.573 0.709 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.277 2.428 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.776 3.136 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.179 2.904 -9.046 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.104 0.509 -9.800 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.237 -0.317 -10.182 1.00 0.00 C ATOM 1550 C LEU A 98 -8.760 -1.753 -10.413 1.00 0.00 C ATOM 1551 O LEU A 98 -9.186 -2.671 -9.716 1.00 0.00 O ATOM 1552 CB LEU A 98 -9.961 0.291 -11.386 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.232 1.084 -11.072 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -11.588 2.026 -12.223 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -12.389 0.147 -10.719 1.00 0.00 C ATOM 0 H LEU A 98 -8.025 1.388 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.973 -0.350 -9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.266 0.948 -11.909 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.219 -0.514 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.041 1.704 -10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.495 2.578 -11.975 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.770 2.727 -12.385 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.754 1.445 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.280 0.735 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.590 -0.516 -11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.123 -0.447 -9.845 1.00 0.00 H new ATOM 1567 N LYS A 99 -7.881 -1.900 -11.394 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.342 -3.208 -11.726 1.00 0.00 C ATOM 1569 C LYS A 99 -7.096 -3.995 -10.437 1.00 0.00 C ATOM 1570 O LYS A 99 -7.194 -5.222 -10.426 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.100 -3.069 -12.607 1.00 0.00 C ATOM 1572 CG LYS A 99 -5.632 -4.433 -13.117 1.00 0.00 C ATOM 1573 CD LYS A 99 -4.266 -4.797 -12.533 1.00 0.00 C ATOM 1574 CE LYS A 99 -3.600 -5.910 -13.346 1.00 0.00 C ATOM 1575 NZ LYS A 99 -2.604 -6.629 -12.521 1.00 0.00 N ATOM 0 H LYS A 99 -7.529 -1.135 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.060 -3.777 -12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.321 -2.417 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.299 -2.595 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.362 -5.196 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.574 -4.418 -14.205 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.625 -3.916 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.383 -5.118 -11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.356 -6.608 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.115 -5.486 -14.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.162 -7.381 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.873 -5.962 -12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.076 -7.050 -11.695 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.783 -3.258 -9.382 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.522 -3.871 -8.090 1.00 0.00 C ATOM 1591 C TYR A 100 -7.791 -3.910 -7.236 1.00 0.00 C ATOM 1592 O TYR A 100 -8.039 -4.888 -6.533 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.486 -2.980 -7.402 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.059 -3.531 -7.456 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.836 -4.886 -7.314 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -2.995 -2.673 -7.646 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.494 -5.404 -7.365 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.653 -3.191 -7.697 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.468 -4.530 -7.554 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.199 -5.019 -7.601 1.00 0.00 O ATOM 0 H TYR A 100 -6.704 -2.241 -9.395 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.174 -4.897 -8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.502 -1.995 -7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.773 -2.844 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.669 -5.557 -7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.169 -1.613 -7.756 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.306 -6.462 -7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.812 -2.530 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 100 0.408 -4.323 -7.928 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.560 -2.835 -7.326 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.796 -2.735 -6.570 1.00 0.00 C ATOM 1612 C VAL A 101 -10.810 -3.740 -7.121 1.00 0.00 C ATOM 1613 O VAL A 101 -11.423 -4.489 -6.363 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.310 -1.294 -6.595 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.788 -1.244 -6.989 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.077 -0.606 -5.248 1.00 0.00 C ATOM 0 H VAL A 101 -8.351 -2.026 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.624 -2.987 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.745 -0.750 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.127 -0.208 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.915 -1.677 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.376 -1.812 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.451 0.417 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.604 -1.151 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.010 -0.593 -5.026 1.00 0.00 H new ATOM 1626 N ARG A 102 -10.954 -3.723 -8.438 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.883 -4.624 -9.100 1.00 0.00 C ATOM 1628 C ARG A 102 -11.631 -6.066 -8.656 1.00 0.00 C ATOM 1629 O ARG A 102 -12.560 -6.767 -8.253 1.00 0.00 O ATOM 1630 CB ARG A 102 -11.746 -4.535 -10.622 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.038 -3.118 -11.118 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.507 -2.751 -10.895 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.188 -2.578 -12.197 1.00 0.00 N ATOM 1634 CZ ARG A 102 -15.445 -2.134 -12.334 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -16.164 -1.815 -11.250 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -15.981 -2.009 -13.556 1.00 0.00 N ATOM 0 H ARG A 102 -10.444 -3.100 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.893 -4.325 -8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.738 -4.827 -10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.433 -5.238 -11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.398 -2.407 -10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.798 -3.043 -12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.002 -3.532 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.577 -1.832 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.668 -2.811 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.755 -1.910 -10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.121 -1.477 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.432 -2.252 -14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.938 -1.671 -13.661 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.372 -6.468 -8.743 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.987 -7.814 -8.354 1.00 0.00 C ATOM 1652 C GLY A 103 -10.190 -8.031 -6.854 1.00 0.00 C ATOM 1653 O GLY A 103 -10.675 -9.080 -6.434 1.00 0.00 O ATOM 0 H GLY A 103 -9.605 -5.885 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.577 -8.540 -8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.942 -7.986 -8.612 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.809 -7.021 -6.086 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.943 -7.088 -4.641 1.00 0.00 C ATOM 1659 C LEU A 104 -11.426 -7.137 -4.271 1.00 0.00 C ATOM 1660 O LEU A 104 -11.798 -7.718 -3.252 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.183 -5.937 -3.978 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.243 -5.884 -2.450 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.508 -5.167 -1.975 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -9.118 -7.285 -1.848 1.00 0.00 C ATOM 0 H LEU A 104 -9.407 -6.152 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.488 -8.002 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.137 -5.998 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.573 -4.997 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.392 -5.303 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.525 -5.143 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.515 -4.147 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.387 -5.699 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.164 -7.219 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.935 -7.910 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.166 -7.725 -2.145 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.236 -6.521 -5.121 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.671 -6.488 -4.898 1.00 0.00 C ATOM 1678 C LEU A 105 -14.296 -7.777 -5.434 1.00 0.00 C ATOM 1679 O LEU A 105 -15.362 -8.190 -4.979 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.277 -5.216 -5.494 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.162 -3.953 -4.638 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -14.448 -2.700 -5.469 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -15.064 -4.042 -3.406 1.00 0.00 C ATOM 0 H LEU A 105 -11.925 -6.041 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.890 -6.447 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -13.798 -5.025 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.332 -5.400 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.135 -3.875 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -14.360 -1.816 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.731 -2.634 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.458 -2.756 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -14.963 -3.132 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.101 -4.157 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.771 -4.901 -2.802 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.607 -8.376 -6.393 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.081 -9.610 -6.996 1.00 0.00 C ATOM 1697 C GLN A 106 -14.175 -10.715 -5.942 1.00 0.00 C ATOM 1698 O GLN A 106 -15.070 -11.557 -5.997 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.181 -10.034 -8.158 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.976 -10.131 -9.462 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.859 -11.528 -10.073 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -12.852 -11.897 -10.657 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -14.941 -12.284 -9.908 1.00 0.00 N ATOM 0 H GLN A 106 -12.724 -8.030 -6.768 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.079 -9.434 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.370 -9.315 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.723 -10.998 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -15.024 -9.900 -9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.610 -9.388 -10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -15.750 -11.914 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -14.961 -13.233 -10.280 1.00 0.00 H new ATOM 1712 N THR A 107 -13.237 -10.676 -5.007 1.00 0.00 N ATOM 1713 CA THR A 107 -13.201 -11.664 -3.941 1.00 0.00 C ATOM 1714 C THR A 107 -13.757 -11.071 -2.646 1.00 0.00 C ATOM 1715 O THR A 107 -14.231 -11.802 -1.777 1.00 0.00 O ATOM 1716 CB THR A 107 -11.763 -12.168 -3.811 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.681 -12.642 -2.471 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.738 -11.033 -3.869 1.00 0.00 C ATOM 0 H THR A 107 -12.496 -9.976 -4.965 1.00 0.00 H new ATOM 0 HA THR A 107 -13.839 -12.517 -4.171 1.00 0.00 H new ATOM 0 HB THR A 107 -11.556 -12.885 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.780 -12.989 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.733 -11.445 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.826 -10.512 -4.822 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.923 -10.333 -3.054 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.681 -9.751 -2.556 1.00 0.00 N ATOM 1727 CA GLU A 108 -14.169 -9.051 -1.381 1.00 0.00 C ATOM 1728 C GLU A 108 -15.199 -7.993 -1.783 1.00 0.00 C ATOM 1729 O GLU A 108 -14.897 -6.800 -1.794 1.00 0.00 O ATOM 1730 CB GLU A 108 -13.015 -8.422 -0.597 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.849 -9.403 -0.457 1.00 0.00 C ATOM 1732 CD GLU A 108 -12.138 -10.450 0.621 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.837 -10.086 1.591 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.655 -11.590 0.450 1.00 0.00 O ATOM 0 H GLU A 108 -13.288 -9.148 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.656 -9.775 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.676 -7.518 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.363 -8.122 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.670 -9.899 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.939 -8.858 -0.205 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.425 -8.480 -2.113 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.500 -7.589 -2.515 1.00 0.00 C ATOM 1743 C PRO A 109 -18.081 -6.851 -1.308 1.00 0.00 C ATOM 1744 O PRO A 109 -18.551 -5.721 -1.434 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.514 -8.486 -3.207 1.00 0.00 C ATOM 1746 CG PRO A 109 -18.193 -9.903 -2.760 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.818 -9.887 -2.112 1.00 0.00 C ATOM 0 HA PRO A 109 -17.163 -6.798 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.532 -8.211 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.442 -8.393 -4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.943 -10.260 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -18.206 -10.584 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.853 -10.288 -1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -16.109 -10.497 -2.672 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.030 -7.519 -0.166 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.546 -6.940 1.064 1.00 0.00 C ATOM 1757 C GLN A 110 -17.624 -5.820 1.550 1.00 0.00 C ATOM 1758 O GLN A 110 -18.064 -4.908 2.247 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.724 -8.011 2.142 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.374 -8.601 2.557 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.563 -9.858 3.408 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -17.548 -10.976 2.920 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.741 -9.613 4.703 1.00 0.00 N ATOM 0 H GLN A 110 -17.639 -8.456 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.527 -6.513 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.219 -7.578 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.372 -8.804 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.791 -8.843 1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.806 -7.859 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.742 -8.652 5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.876 -10.386 5.354 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.361 -5.926 1.162 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.374 -4.934 1.551 1.00 0.00 C ATOM 1774 C ASN A 111 -15.904 -3.537 1.221 1.00 0.00 C ATOM 1775 O ASN A 111 -15.817 -3.089 0.079 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.062 -5.134 0.787 1.00 0.00 C ATOM 1777 CG ASN A 111 -12.989 -4.160 1.278 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.265 -3.041 1.677 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -11.753 -4.647 1.225 1.00 0.00 N ATOM 0 H ASN A 111 -15.999 -6.684 0.583 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.190 -5.042 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.714 -6.159 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.232 -4.987 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.966 -4.074 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.592 -5.593 0.880 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.443 -2.888 2.243 1.00 0.00 N ATOM 1787 CA ASN A 112 -16.987 -1.551 2.076 1.00 0.00 C ATOM 1788 C ASN A 112 -15.849 -0.576 1.770 1.00 0.00 C ATOM 1789 O ASN A 112 -16.000 0.318 0.938 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.685 -1.077 3.353 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.609 -2.164 3.908 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -18.260 -2.911 4.807 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -19.802 -2.209 3.323 1.00 0.00 N ATOM 0 H ASN A 112 -16.515 -3.263 3.189 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.709 -1.580 1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.939 -0.811 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.262 -0.176 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.491 -2.900 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.029 -1.553 2.576 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.737 -0.780 2.459 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.573 0.071 2.271 1.00 0.00 C ATOM 1802 C GLN A 113 -13.172 0.104 0.795 1.00 0.00 C ATOM 1803 O GLN A 113 -12.743 1.139 0.288 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.407 -0.395 3.145 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.684 -0.116 4.624 1.00 0.00 C ATOM 1806 CD GLN A 113 -12.190 -1.269 5.501 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -12.530 -2.423 5.302 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -11.373 -0.891 6.480 1.00 0.00 N ATOM 0 H GLN A 113 -14.616 -1.522 3.149 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.834 1.083 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.241 -1.462 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.493 0.115 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.191 0.809 4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.753 0.029 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.129 0.093 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.990 -1.586 7.121 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.329 -1.041 0.147 1.00 0.00 N ATOM 1818 CA ALA A 114 -12.988 -1.156 -1.261 1.00 0.00 C ATOM 1819 C ALA A 114 -14.150 -0.628 -2.106 1.00 0.00 C ATOM 1820 O ALA A 114 -13.933 0.070 -3.096 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.646 -2.611 -1.587 1.00 0.00 C ATOM 0 H ALA A 114 -13.688 -1.897 0.571 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.109 -0.555 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.390 -2.697 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.798 -2.930 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.506 -3.244 -1.369 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.355 -0.980 -1.685 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.550 -0.550 -2.391 1.00 0.00 C ATOM 1829 C LYS A 115 -16.448 0.946 -2.692 1.00 0.00 C ATOM 1830 O LYS A 115 -16.486 1.353 -3.853 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.805 -0.935 -1.605 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.184 -2.395 -1.856 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.683 -2.617 -1.650 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.339 -3.154 -2.923 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.740 -3.550 -2.657 1.00 0.00 N ATOM 0 H LYS A 115 -15.530 -1.558 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.632 -1.064 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.633 -0.778 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.632 -0.286 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.908 -2.676 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.621 -3.041 -1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.841 -3.319 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.157 -1.679 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.312 -2.392 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.777 -4.011 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.170 -3.912 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.759 -4.292 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.277 -2.724 -2.323 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.321 1.724 -1.628 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.214 3.168 -1.765 1.00 0.00 C ATOM 1851 C GLU A 116 -15.166 3.524 -2.821 1.00 0.00 C ATOM 1852 O GLU A 116 -15.481 4.165 -3.822 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.883 3.822 -0.422 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.086 4.594 0.122 1.00 0.00 C ATOM 1855 CD GLU A 116 -16.637 5.818 0.923 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -15.869 6.620 0.349 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.070 5.923 2.091 1.00 0.00 O ATOM 0 H GLU A 116 -16.290 1.383 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.178 3.556 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.582 3.058 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.036 4.498 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.724 4.910 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.685 3.940 0.756 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.940 3.092 -2.562 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.844 3.359 -3.478 1.00 0.00 C ATOM 1866 C LEU A 117 -13.340 3.207 -4.918 1.00 0.00 C ATOM 1867 O LEU A 117 -13.279 4.152 -5.703 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.641 2.473 -3.146 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.268 3.041 -3.513 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.998 4.347 -2.764 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -9.166 2.006 -3.278 1.00 0.00 C ATOM 0 H LEU A 117 -13.682 2.559 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.496 4.386 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.652 2.265 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.766 1.518 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.268 3.275 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.016 4.730 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.761 5.081 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.024 4.163 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.201 2.435 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.155 1.718 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.356 1.126 -3.893 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.820 2.010 -5.222 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.326 1.722 -6.552 1.00 0.00 C ATOM 1885 C GLU A 118 -15.136 2.908 -7.080 1.00 0.00 C ATOM 1886 O GLU A 118 -14.916 3.365 -8.202 1.00 0.00 O ATOM 1887 CB GLU A 118 -15.164 0.441 -6.556 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.038 -0.292 -7.893 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.353 -0.981 -8.265 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.405 -0.332 -8.084 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -16.276 -2.142 -8.723 1.00 0.00 O ATOM 0 H GLU A 118 -13.869 1.228 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.476 1.563 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.839 -0.213 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -16.210 0.685 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.759 0.415 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.240 -1.032 -7.833 1.00 0.00 H new ATOM 1898 N ARG A 119 -16.055 3.374 -6.248 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.899 4.497 -6.617 1.00 0.00 C ATOM 1900 C ARG A 119 -16.081 5.792 -6.632 1.00 0.00 C ATOM 1901 O ARG A 119 -16.319 6.670 -7.460 1.00 0.00 O ATOM 1902 CB ARG A 119 -18.067 4.652 -5.642 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.353 4.070 -6.232 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.397 5.166 -6.460 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.495 4.650 -7.308 1.00 0.00 N ATOM 1906 CZ ARG A 119 -22.599 5.345 -7.613 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.758 6.590 -7.141 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -23.543 4.797 -8.390 1.00 0.00 N ATOM 0 H ARG A 119 -16.234 2.994 -5.319 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.296 4.301 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.832 4.148 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.214 5.707 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.131 3.572 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.756 3.313 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.794 5.506 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -19.932 6.029 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 119 -21.405 3.706 -7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.039 7.007 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -23.598 7.120 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -23.421 3.850 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -24.383 5.327 -8.622 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.135 5.868 -5.707 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.283 7.039 -5.604 1.00 0.00 C ATOM 1924 C LEU A 120 -13.543 7.245 -6.927 1.00 0.00 C ATOM 1925 O LEU A 120 -13.715 8.269 -7.586 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.354 6.921 -4.393 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.034 6.948 -3.022 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.008 6.788 -1.899 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.875 8.215 -2.852 1.00 0.00 C ATOM 0 H LEU A 120 -14.940 5.137 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.884 7.932 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.792 5.991 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.631 7.735 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.714 6.099 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.517 6.811 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.489 5.836 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.286 7.603 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.347 8.209 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.234 9.092 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.644 8.248 -3.624 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.736 6.254 -7.278 1.00 0.00 N ATOM 1942 CA ILE A 121 -11.970 6.313 -8.511 1.00 0.00 C ATOM 1943 C ILE A 121 -12.912 6.617 -9.678 1.00 0.00 C ATOM 1944 O ILE A 121 -12.600 7.444 -10.533 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.154 5.031 -8.697 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.281 4.755 -7.472 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.332 5.088 -9.987 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.494 3.331 -6.956 1.00 0.00 C ATOM 0 H ILE A 121 -12.596 5.405 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.242 7.123 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.847 4.195 -8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.232 4.899 -7.729 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.517 5.470 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.761 4.166 -10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.001 5.204 -10.840 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.648 5.935 -9.945 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.861 3.161 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.539 3.198 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.233 2.618 -7.738 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.047 5.933 -9.674 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.036 6.119 -10.721 1.00 0.00 C ATOM 1962 C ASP A 122 -15.174 7.612 -11.026 1.00 0.00 C ATOM 1963 O ASP A 122 -15.304 8.003 -12.186 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.406 5.598 -10.284 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.362 5.252 -11.428 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.795 6.204 -12.112 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -17.640 4.045 -11.590 1.00 0.00 O ATOM 0 H ASP A 122 -14.303 5.249 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.704 5.567 -11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.261 4.709 -9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.878 6.349 -9.651 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.141 8.406 -9.967 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.261 9.846 -10.107 1.00 0.00 C ATOM 1974 C LYS A 123 -13.893 10.437 -10.452 1.00 0.00 C ATOM 1975 O LYS A 123 -13.774 11.236 -11.379 1.00 0.00 O ATOM 1976 CB LYS A 123 -15.894 10.457 -8.854 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.016 11.429 -9.225 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.107 11.442 -8.153 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.490 11.634 -8.780 1.00 0.00 C ATOM 1980 NZ LYS A 123 -19.981 10.360 -9.352 1.00 0.00 N ATOM 0 H LYS A 123 -15.033 8.079 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 123 -15.933 10.092 -10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -16.290 9.665 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.132 10.979 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -16.608 12.432 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.447 11.143 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -18.084 10.506 -7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.912 12.244 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -20.190 11.995 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -19.440 12.394 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -20.920 10.508 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -19.321 10.031 -10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -20.048 9.645 -8.600 1.00 0.00 H new ATOM 1994 N ALA A 124 -12.893 10.018 -9.689 1.00 0.00 N ATOM 1995 CA ALA A 124 -11.538 10.496 -9.904 1.00 0.00 C ATOM 1996 C ALA A 124 -11.266 10.590 -11.406 1.00 0.00 C ATOM 1997 O ALA A 124 -10.638 11.540 -11.869 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.552 9.568 -9.191 1.00 0.00 C ATOM 0 H ALA A 124 -12.995 9.353 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.412 11.494 -9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.535 9.925 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.769 9.558 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.649 8.558 -9.590 1.00 0.00 H new ATOM 2004 N MET A 125 -11.753 9.590 -12.127 1.00 0.00 N ATOM 2005 CA MET A 125 -11.571 9.548 -13.568 1.00 0.00 C ATOM 2006 C MET A 125 -12.293 10.715 -14.247 1.00 0.00 C ATOM 2007 O MET A 125 -11.708 11.417 -15.070 1.00 0.00 O ATOM 2008 CB MET A 125 -12.114 8.226 -14.114 1.00 0.00 C ATOM 2009 CG MET A 125 -11.425 7.034 -13.447 1.00 0.00 C ATOM 2010 SD MET A 125 -10.551 6.070 -14.670 1.00 0.00 S ATOM 2011 CE MET A 125 -10.536 4.481 -13.858 1.00 0.00 C ATOM 0 H MET A 125 -12.273 8.803 -11.740 1.00 0.00 H new ATOM 0 HA MET A 125 -10.505 9.630 -13.782 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.189 8.172 -13.943 1.00 0.00 H new ATOM 0 HB3 MET A 125 -11.960 8.183 -15.192 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.730 7.385 -12.684 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.164 6.412 -12.942 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.547 4.033 -13.953 1.00 0.00 H new ATOM 0 HE2 MET A 125 -10.776 4.609 -12.803 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.276 3.828 -14.322 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.553 10.886 -13.875 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.360 11.955 -14.436 1.00 0.00 C ATOM 2023 C LYS A 126 -14.153 13.230 -13.617 1.00 0.00 C ATOM 2024 O LYS A 126 -15.117 13.897 -13.244 1.00 0.00 O ATOM 2025 CB LYS A 126 -15.825 11.523 -14.540 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.212 11.242 -15.994 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.178 12.307 -16.518 1.00 0.00 C ATOM 2028 CE LYS A 126 -18.544 11.695 -16.842 1.00 0.00 C ATOM 2029 NZ LYS A 126 -18.602 11.281 -18.261 1.00 0.00 N ATOM 0 H LYS A 126 -14.035 10.302 -13.192 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.043 12.175 -15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -15.988 10.630 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.468 12.304 -14.133 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.317 11.220 -16.615 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -16.675 10.258 -16.068 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.295 13.095 -15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -16.762 12.772 -17.412 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.726 10.834 -16.198 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.332 12.419 -16.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.535 10.868 -18.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.450 12.110 -18.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -17.862 10.574 -18.447 1.00 0.00 H new ATOM 2043 N LYS A 127 -12.888 13.530 -13.360 1.00 0.00 N ATOM 2044 CA LYS A 127 -12.541 14.714 -12.590 1.00 0.00 C ATOM 2045 C LYS A 127 -11.279 15.347 -13.179 1.00 0.00 C ATOM 2046 O LYS A 127 -11.309 16.489 -13.637 1.00 0.00 O ATOM 2047 CB LYS A 127 -12.421 14.370 -11.105 1.00 0.00 C ATOM 2048 CG LYS A 127 -13.800 14.304 -10.444 1.00 0.00 C ATOM 2049 CD LYS A 127 -13.707 13.704 -9.039 1.00 0.00 C ATOM 2050 CE LYS A 127 -14.581 14.482 -8.052 1.00 0.00 C ATOM 2051 NZ LYS A 127 -13.870 14.669 -6.768 1.00 0.00 N ATOM 0 H LYS A 127 -12.091 12.974 -13.671 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.333 15.459 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.912 13.413 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.809 15.119 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.229 15.305 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -14.472 13.703 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.021 12.660 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.671 13.718 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.842 15.452 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.515 13.946 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -14.476 15.198 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -13.642 13.740 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.991 15.200 -6.932 1.00 0.00 H new