USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -148:sc= 0.289 (180deg=0) USER MOD Set 1.2: A 22 TYR OH : rot 30:sc= 0.265 USER MOD Set 2.1: A 10 THR OG1 : rot -83:sc= 0.949 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.0903 K(o=1.2,f=-2.6) USER MOD Set 2.3: A 80 HIS : no HD1:sc= 0.368 K(o=1.2,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -130:sc= -2.71! USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 12 ASN : amide:sc= -1.52 K(o=-1.5,f=-8.1!) USER MOD Single : A 14 THR OG1 : rot 38:sc= 0.312 USER MOD Single : A 18 MET CE :methyl -165:sc= 0 (180deg=-0.0135) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.569! (180deg=-1.61!) USER MOD Single : A 26 MET CE :methyl 166:sc= -2.18 (180deg=-3.38) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 29 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.49) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= 0.721 (180deg=-2.07) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.799) USER MOD Single : A 41 THR OG1 : rot -155:sc= 1.75 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 169:sc= -3.08! (180deg=-3.41!) USER MOD Single : A 56 GLN : amide:sc= 0.985 K(o=0.98,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -43:sc= 0.11 USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= 0.92 (180deg=-0.907) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.684) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.697 5.180 -2.326 1.00 0.00 N ATOM 2 CA MET A 1 -19.177 4.445 -3.478 1.00 0.00 C ATOM 3 C MET A 1 -18.318 3.305 -2.998 1.00 0.00 C ATOM 4 O MET A 1 -17.224 3.524 -2.479 1.00 0.00 O ATOM 5 CB MET A 1 -18.340 5.359 -4.375 1.00 0.00 C ATOM 6 CG MET A 1 -17.751 4.644 -5.579 1.00 0.00 C ATOM 7 SD MET A 1 -16.716 5.702 -6.591 1.00 0.00 S ATOM 8 CE MET A 1 -16.228 4.536 -7.860 1.00 0.00 C ATOM 0 H1 MET A 1 -20.291 5.968 -2.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.267 4.541 -1.735 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.904 5.555 -1.767 1.00 0.00 H new ATOM 0 HA MET A 1 -20.021 4.065 -4.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.961 6.186 -4.720 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.531 5.792 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.164 3.792 -5.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.561 4.247 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.576 5.032 -8.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.696 3.702 -7.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.115 4.163 -8.372 1.00 0.00 H new ATOM 18 N THR A 2 -18.793 2.104 -3.141 1.00 0.00 N ATOM 19 CA THR A 2 -18.040 0.986 -2.698 1.00 0.00 C ATOM 20 C THR A 2 -17.268 0.324 -3.849 1.00 0.00 C ATOM 21 O THR A 2 -17.847 -0.148 -4.838 1.00 0.00 O ATOM 22 CB THR A 2 -18.906 -0.050 -1.897 1.00 0.00 C ATOM 23 OG1 THR A 2 -18.091 -1.146 -1.437 1.00 0.00 O ATOM 24 CG2 THR A 2 -20.077 -0.587 -2.718 1.00 0.00 C ATOM 0 H THR A 2 -19.696 1.881 -3.560 1.00 0.00 H new ATOM 0 HA THR A 2 -17.301 1.372 -1.995 1.00 0.00 H new ATOM 0 HB THR A 2 -19.319 0.482 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.647 -1.781 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.645 -1.299 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.725 0.239 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.698 -1.084 -3.611 1.00 0.00 H new ATOM 32 N GLU A 3 -15.971 0.358 -3.736 1.00 0.00 N ATOM 33 CA GLU A 3 -15.088 -0.325 -4.634 1.00 0.00 C ATOM 34 C GLU A 3 -14.040 -0.977 -3.778 1.00 0.00 C ATOM 35 O GLU A 3 -13.517 -0.352 -2.873 1.00 0.00 O ATOM 36 CB GLU A 3 -14.472 0.632 -5.687 1.00 0.00 C ATOM 37 CG GLU A 3 -13.597 -0.077 -6.723 1.00 0.00 C ATOM 38 CD GLU A 3 -13.078 0.834 -7.823 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.758 0.983 -8.861 1.00 0.00 O ATOM 40 OE2 GLU A 3 -11.968 1.376 -7.694 1.00 0.00 O ATOM 0 H GLU A 3 -15.488 0.873 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.628 -1.070 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.276 1.158 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.875 1.386 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.749 -0.535 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.171 -0.885 -7.176 1.00 0.00 H new ATOM 47 N VAL A 4 -13.771 -2.221 -4.021 1.00 0.00 N ATOM 48 CA VAL A 4 -12.865 -2.994 -3.199 1.00 0.00 C ATOM 49 C VAL A 4 -11.871 -3.764 -4.052 1.00 0.00 C ATOM 50 O VAL A 4 -12.208 -4.273 -5.124 1.00 0.00 O ATOM 51 CB VAL A 4 -13.625 -3.975 -2.240 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.447 -3.216 -1.206 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.529 -4.921 -3.027 1.00 0.00 C ATOM 0 H VAL A 4 -14.173 -2.743 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.320 -2.280 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.870 -4.563 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.961 -3.926 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.788 -2.588 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.181 -2.590 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.044 -5.590 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.263 -4.341 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.926 -5.508 -3.720 1.00 0.00 H new ATOM 63 N TYR A 5 -10.659 -3.810 -3.596 1.00 0.00 N ATOM 64 CA TYR A 5 -9.595 -4.494 -4.277 1.00 0.00 C ATOM 65 C TYR A 5 -8.937 -5.492 -3.352 1.00 0.00 C ATOM 66 O TYR A 5 -8.791 -5.241 -2.148 1.00 0.00 O ATOM 67 CB TYR A 5 -8.594 -3.480 -4.857 1.00 0.00 C ATOM 68 CG TYR A 5 -7.820 -2.658 -3.869 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.404 -1.634 -3.141 1.00 0.00 C ATOM 70 CD2 TYR A 5 -6.491 -2.895 -3.687 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.656 -0.887 -2.254 1.00 0.00 C ATOM 72 CE2 TYR A 5 -5.758 -2.159 -2.818 1.00 0.00 C ATOM 73 CZ TYR A 5 -6.324 -1.171 -2.108 1.00 0.00 C ATOM 74 OH TYR A 5 -5.552 -0.460 -1.244 1.00 0.00 O ATOM 0 H TYR A 5 -10.372 -3.366 -2.724 1.00 0.00 H new ATOM 0 HA TYR A 5 -10.004 -5.056 -5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.883 -4.022 -5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.139 -2.801 -5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.455 -1.418 -3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.013 -3.685 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -8.113 -0.092 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.706 -2.370 -2.695 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.740 -0.159 -1.703 1.00 0.00 H new ATOM 84 N ASP A 6 -8.606 -6.633 -3.888 1.00 0.00 N ATOM 85 CA ASP A 6 -7.930 -7.666 -3.129 1.00 0.00 C ATOM 86 C ASP A 6 -6.451 -7.469 -3.218 1.00 0.00 C ATOM 87 O ASP A 6 -5.907 -7.225 -4.289 1.00 0.00 O ATOM 88 CB ASP A 6 -8.290 -9.065 -3.634 1.00 0.00 C ATOM 89 CG ASP A 6 -9.725 -9.423 -3.396 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.039 -9.915 -2.301 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.569 -9.212 -4.296 1.00 0.00 O ATOM 0 H ASP A 6 -8.793 -6.880 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.257 -7.587 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.079 -9.125 -4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.652 -9.798 -3.141 1.00 0.00 H new ATOM 96 N LEU A 7 -5.822 -7.561 -2.116 1.00 0.00 N ATOM 97 CA LEU A 7 -4.419 -7.397 -1.990 1.00 0.00 C ATOM 98 C LEU A 7 -3.781 -8.634 -1.472 1.00 0.00 C ATOM 99 O LEU A 7 -4.424 -9.453 -0.835 1.00 0.00 O ATOM 100 CB LEU A 7 -4.097 -6.256 -1.048 1.00 0.00 C ATOM 101 CG LEU A 7 -4.301 -4.852 -1.568 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.032 -3.858 -0.448 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.345 -4.609 -2.737 1.00 0.00 C ATOM 0 H LEU A 7 -6.286 -7.762 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.028 -7.177 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.706 -6.376 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.056 -6.355 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.327 -4.724 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.178 -2.844 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.719 -4.045 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.006 -3.972 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.486 -3.598 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.316 -4.728 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.550 -5.328 -3.530 1.00 0.00 H new ATOM 115 N GLU A 8 -2.536 -8.764 -1.751 1.00 0.00 N ATOM 116 CA GLU A 8 -1.745 -9.816 -1.218 1.00 0.00 C ATOM 117 C GLU A 8 -0.834 -9.146 -0.218 1.00 0.00 C ATOM 118 O GLU A 8 -0.026 -8.301 -0.564 1.00 0.00 O ATOM 119 CB GLU A 8 -0.949 -10.460 -2.339 1.00 0.00 C ATOM 120 CG GLU A 8 -0.046 -11.605 -1.931 1.00 0.00 C ATOM 121 CD GLU A 8 0.770 -12.121 -3.097 1.00 0.00 C ATOM 122 OE1 GLU A 8 0.298 -13.017 -3.826 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.883 -11.637 -3.305 1.00 0.00 O ATOM 0 H GLU A 8 -2.027 -8.131 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.336 -10.604 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.647 -10.823 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.339 -9.692 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.624 -11.275 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.649 -12.416 -1.523 1.00 0.00 H new ATOM 130 N ILE A 9 -1.016 -9.472 1.003 1.00 0.00 N ATOM 131 CA ILE A 9 -0.329 -8.789 2.071 1.00 0.00 C ATOM 132 C ILE A 9 0.873 -9.563 2.540 1.00 0.00 C ATOM 133 O ILE A 9 0.786 -10.748 2.854 1.00 0.00 O ATOM 134 CB ILE A 9 -1.267 -8.522 3.282 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.532 -7.749 2.854 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.534 -7.774 4.406 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.263 -6.386 2.241 1.00 0.00 C ATOM 0 H ILE A 9 -1.642 -10.217 1.309 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.000 -7.834 1.662 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.577 -9.493 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.085 -8.353 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.175 -7.621 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.219 -7.604 5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.311 -8.371 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.174 -6.816 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.208 -5.916 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.739 -5.759 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.648 -6.503 1.349 1.00 0.00 H new ATOM 149 N THR A 10 1.965 -8.886 2.570 1.00 0.00 N ATOM 150 CA THR A 10 3.207 -9.385 3.066 1.00 0.00 C ATOM 151 C THR A 10 3.716 -8.506 4.155 1.00 0.00 C ATOM 152 O THR A 10 3.305 -7.355 4.292 1.00 0.00 O ATOM 153 CB THR A 10 4.292 -9.639 1.956 1.00 0.00 C ATOM 154 OG1 THR A 10 5.641 -9.419 2.440 1.00 0.00 O ATOM 155 CG2 THR A 10 4.034 -8.895 0.656 1.00 0.00 C ATOM 0 H THR A 10 2.024 -7.924 2.235 1.00 0.00 H new ATOM 0 HA THR A 10 3.002 -10.374 3.475 1.00 0.00 H new ATOM 0 HB THR A 10 4.199 -10.697 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.851 -8.463 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.826 -9.123 -0.057 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.074 -9.205 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.016 -7.822 0.848 1.00 0.00 H new ATOM 163 N THR A 11 4.565 -9.039 4.941 1.00 0.00 N ATOM 164 CA THR A 11 5.113 -8.342 6.076 1.00 0.00 C ATOM 165 C THR A 11 6.475 -8.952 6.375 1.00 0.00 C ATOM 166 O THR A 11 6.840 -9.960 5.798 1.00 0.00 O ATOM 167 CB THR A 11 4.201 -8.466 7.336 1.00 0.00 C ATOM 168 OG1 THR A 11 2.821 -8.311 6.968 1.00 0.00 O ATOM 169 CG2 THR A 11 4.514 -7.376 8.373 1.00 0.00 C ATOM 0 H THR A 11 4.918 -9.989 4.828 1.00 0.00 H new ATOM 0 HA THR A 11 5.190 -7.281 5.838 1.00 0.00 H new ATOM 0 HB THR A 11 4.390 -9.451 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.258 -8.392 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.859 -7.496 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.553 -7.464 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.353 -6.394 7.928 1.00 0.00 H new ATOM 177 N ASN A 12 7.218 -8.324 7.209 1.00 0.00 N ATOM 178 CA ASN A 12 8.498 -8.837 7.629 1.00 0.00 C ATOM 179 C ASN A 12 8.304 -9.788 8.804 1.00 0.00 C ATOM 180 O ASN A 12 9.147 -10.630 9.098 1.00 0.00 O ATOM 181 CB ASN A 12 9.464 -7.700 7.991 1.00 0.00 C ATOM 182 CG ASN A 12 8.999 -6.778 9.116 1.00 0.00 C ATOM 183 OD1 ASN A 12 7.798 -6.543 9.309 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.943 -6.245 9.852 1.00 0.00 N ATOM 0 H ASN A 12 6.966 -7.430 7.632 1.00 0.00 H new ATOM 0 HA ASN A 12 8.946 -9.385 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.422 -8.136 8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.639 -7.098 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.699 -5.613 10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.921 -6.462 9.663 1.00 0.00 H new ATOM 191 N ALA A 13 7.171 -9.644 9.469 1.00 0.00 N ATOM 192 CA ALA A 13 6.811 -10.498 10.568 1.00 0.00 C ATOM 193 C ALA A 13 6.283 -11.835 10.054 1.00 0.00 C ATOM 194 O ALA A 13 6.530 -12.881 10.651 1.00 0.00 O ATOM 195 CB ALA A 13 5.775 -9.816 11.451 1.00 0.00 C ATOM 0 H ALA A 13 6.478 -8.927 9.255 1.00 0.00 H new ATOM 0 HA ALA A 13 7.702 -10.689 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.512 -10.475 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.187 -8.886 11.844 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.883 -9.598 10.864 1.00 0.00 H new ATOM 201 N THR A 14 5.552 -11.796 8.949 1.00 0.00 N ATOM 202 CA THR A 14 5.015 -12.995 8.356 1.00 0.00 C ATOM 203 C THR A 14 5.618 -13.209 6.979 1.00 0.00 C ATOM 204 O THR A 14 5.553 -12.328 6.128 1.00 0.00 O ATOM 205 CB THR A 14 3.483 -12.903 8.216 1.00 0.00 C ATOM 206 OG1 THR A 14 3.143 -11.709 7.489 1.00 0.00 O ATOM 207 CG2 THR A 14 2.799 -12.891 9.573 1.00 0.00 C ATOM 0 H THR A 14 5.321 -10.938 8.449 1.00 0.00 H new ATOM 0 HA THR A 14 5.265 -13.831 9.009 1.00 0.00 H new ATOM 0 HB THR A 14 3.135 -13.783 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.803 -11.559 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.720 -12.825 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.041 -13.808 10.111 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.145 -12.031 10.147 1.00 0.00 H new ATOM 215 N ASP A 15 6.155 -14.376 6.758 1.00 0.00 N ATOM 216 CA ASP A 15 6.803 -14.711 5.491 1.00 0.00 C ATOM 217 C ASP A 15 5.765 -15.094 4.449 1.00 0.00 C ATOM 218 O ASP A 15 5.957 -14.910 3.249 1.00 0.00 O ATOM 219 CB ASP A 15 7.787 -15.874 5.701 1.00 0.00 C ATOM 220 CG ASP A 15 8.557 -16.248 4.448 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.630 -15.656 4.203 1.00 0.00 O ATOM 222 OD2 ASP A 15 8.116 -17.143 3.697 1.00 0.00 O ATOM 0 H ASP A 15 6.163 -15.132 7.442 1.00 0.00 H new ATOM 0 HA ASP A 15 7.348 -13.837 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.494 -15.604 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.237 -16.746 6.054 1.00 0.00 H new ATOM 227 N PHE A 16 4.661 -15.605 4.923 1.00 0.00 N ATOM 228 CA PHE A 16 3.604 -16.082 4.066 1.00 0.00 C ATOM 229 C PHE A 16 2.590 -14.974 3.790 1.00 0.00 C ATOM 230 O PHE A 16 1.942 -14.475 4.716 1.00 0.00 O ATOM 231 CB PHE A 16 2.926 -17.289 4.715 1.00 0.00 C ATOM 232 CG PHE A 16 3.889 -18.411 5.001 1.00 0.00 C ATOM 233 CD1 PHE A 16 4.144 -19.376 4.052 1.00 0.00 C ATOM 234 CD2 PHE A 16 4.551 -18.485 6.221 1.00 0.00 C ATOM 235 CE1 PHE A 16 5.035 -20.398 4.305 1.00 0.00 C ATOM 236 CE2 PHE A 16 5.446 -19.503 6.477 1.00 0.00 C ATOM 237 CZ PHE A 16 5.688 -20.461 5.516 1.00 0.00 C ATOM 0 H PHE A 16 4.466 -15.704 5.919 1.00 0.00 H new ATOM 0 HA PHE A 16 4.031 -16.386 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.451 -16.977 5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.135 -17.653 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.640 -19.332 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.363 -17.737 6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.221 -21.150 3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.956 -19.549 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.388 -21.259 5.712 1.00 0.00 H new ATOM 247 N PRO A 17 2.465 -14.551 2.514 1.00 0.00 N ATOM 248 CA PRO A 17 1.513 -13.516 2.109 1.00 0.00 C ATOM 249 C PRO A 17 0.065 -14.017 2.174 1.00 0.00 C ATOM 250 O PRO A 17 -0.209 -15.194 1.907 1.00 0.00 O ATOM 251 CB PRO A 17 1.893 -13.201 0.649 1.00 0.00 C ATOM 252 CG PRO A 17 3.191 -13.894 0.406 1.00 0.00 C ATOM 253 CD PRO A 17 3.251 -15.035 1.373 1.00 0.00 C ATOM 0 HA PRO A 17 1.562 -12.648 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.126 -13.556 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.989 -12.126 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.253 -14.253 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.029 -13.213 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.826 -15.945 0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.277 -15.266 1.660 1.00 0.00 H new ATOM 261 N MET A 18 -0.848 -13.136 2.517 1.00 0.00 N ATOM 262 CA MET A 18 -2.261 -13.492 2.646 1.00 0.00 C ATOM 263 C MET A 18 -3.101 -12.547 1.803 1.00 0.00 C ATOM 264 O MET A 18 -2.801 -11.360 1.738 1.00 0.00 O ATOM 265 CB MET A 18 -2.700 -13.369 4.115 1.00 0.00 C ATOM 266 CG MET A 18 -1.853 -14.168 5.096 1.00 0.00 C ATOM 267 SD MET A 18 -1.883 -15.943 4.781 1.00 0.00 S ATOM 268 CE MET A 18 -0.689 -16.500 5.998 1.00 0.00 C ATOM 0 H MET A 18 -0.644 -12.157 2.715 1.00 0.00 H new ATOM 0 HA MET A 18 -2.400 -14.519 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.672 -12.318 4.403 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.737 -13.695 4.200 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.823 -13.815 5.048 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.208 -13.980 6.109 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.387 -17.522 5.770 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.185 -15.849 5.975 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.139 -16.468 6.990 1.00 0.00 H new ATOM 278 N GLU A 19 -4.132 -13.059 1.154 1.00 0.00 N ATOM 279 CA GLU A 19 -5.013 -12.208 0.354 1.00 0.00 C ATOM 280 C GLU A 19 -6.051 -11.554 1.238 1.00 0.00 C ATOM 281 O GLU A 19 -6.730 -12.232 2.021 1.00 0.00 O ATOM 282 CB GLU A 19 -5.728 -12.966 -0.777 1.00 0.00 C ATOM 283 CG GLU A 19 -4.847 -13.548 -1.885 1.00 0.00 C ATOM 284 CD GLU A 19 -3.921 -14.652 -1.441 1.00 0.00 C ATOM 285 OE1 GLU A 19 -4.385 -15.806 -1.280 1.00 0.00 O ATOM 286 OE2 GLU A 19 -2.723 -14.402 -1.267 1.00 0.00 O ATOM 0 H GLU A 19 -4.383 -14.048 1.161 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.371 -11.458 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.297 -13.782 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.448 -12.289 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.490 -13.929 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.251 -12.744 -2.316 1.00 0.00 H new ATOM 293 N LYS A 20 -6.162 -10.257 1.128 1.00 0.00 N ATOM 294 CA LYS A 20 -7.091 -9.500 1.875 1.00 0.00 C ATOM 295 C LYS A 20 -7.823 -8.498 1.030 1.00 0.00 C ATOM 296 O LYS A 20 -7.311 -8.027 0.035 1.00 0.00 O ATOM 297 CB LYS A 20 -6.428 -8.828 3.023 1.00 0.00 C ATOM 298 CG LYS A 20 -6.025 -9.799 4.089 1.00 0.00 C ATOM 299 CD LYS A 20 -5.499 -9.131 5.308 1.00 0.00 C ATOM 300 CE LYS A 20 -6.540 -8.258 5.991 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.009 -7.658 7.230 1.00 0.00 N ATOM 0 H LYS A 20 -5.588 -9.698 0.497 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.832 -10.201 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.547 -8.293 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.104 -8.085 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.885 -10.413 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.265 -10.472 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.148 -9.888 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.637 -8.520 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.859 -7.469 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.422 -8.855 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.779 -7.547 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.274 -8.277 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.599 -6.726 7.017 1.00 0.00 H new ATOM 315 N LYS A 21 -9.002 -8.173 1.446 1.00 0.00 N ATOM 316 CA LYS A 21 -9.868 -7.258 0.721 1.00 0.00 C ATOM 317 C LYS A 21 -9.800 -5.867 1.356 1.00 0.00 C ATOM 318 O LYS A 21 -9.932 -5.734 2.583 1.00 0.00 O ATOM 319 CB LYS A 21 -11.319 -7.755 0.804 1.00 0.00 C ATOM 320 CG LYS A 21 -12.315 -6.952 -0.033 1.00 0.00 C ATOM 321 CD LYS A 21 -12.235 -7.275 -1.535 1.00 0.00 C ATOM 322 CE LYS A 21 -12.972 -8.584 -1.913 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.424 -9.802 -1.274 1.00 0.00 N ATOM 0 H LYS A 21 -9.411 -8.532 2.309 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.541 -7.210 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.352 -8.796 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.638 -7.732 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.325 -7.153 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.131 -5.888 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.662 -6.448 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.188 -7.356 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.023 -8.487 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.934 -8.708 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.792 -10.645 -1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.386 -9.791 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.708 -9.827 -0.274 1.00 0.00 H new ATOM 337 N TYR A 22 -9.586 -4.849 0.547 1.00 0.00 N ATOM 338 CA TYR A 22 -9.582 -3.472 1.022 1.00 0.00 C ATOM 339 C TYR A 22 -10.399 -2.568 0.106 1.00 0.00 C ATOM 340 O TYR A 22 -10.478 -2.820 -1.084 1.00 0.00 O ATOM 341 CB TYR A 22 -8.151 -2.934 1.201 1.00 0.00 C ATOM 342 CG TYR A 22 -7.425 -3.523 2.393 1.00 0.00 C ATOM 343 CD1 TYR A 22 -7.591 -2.964 3.648 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.587 -4.626 2.274 1.00 0.00 C ATOM 345 CE1 TYR A 22 -6.950 -3.471 4.751 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.937 -5.146 3.381 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.124 -4.557 4.617 1.00 0.00 C ATOM 348 OH TYR A 22 -5.492 -5.065 5.726 1.00 0.00 O ATOM 0 H TYR A 22 -9.411 -4.947 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.055 -3.469 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.578 -3.143 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.190 -1.850 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.240 -2.109 3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.441 -5.083 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.096 -3.016 5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.290 -6.004 3.279 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.045 -4.906 6.519 1.00 0.00 H new ATOM 358 N PRO A 23 -11.051 -1.521 0.652 1.00 0.00 N ATOM 359 CA PRO A 23 -11.819 -0.574 -0.147 1.00 0.00 C ATOM 360 C PRO A 23 -10.904 0.383 -0.888 1.00 0.00 C ATOM 361 O PRO A 23 -10.010 0.978 -0.292 1.00 0.00 O ATOM 362 CB PRO A 23 -12.653 0.207 0.882 1.00 0.00 C ATOM 363 CG PRO A 23 -12.381 -0.427 2.207 1.00 0.00 C ATOM 364 CD PRO A 23 -11.094 -1.178 2.074 1.00 0.00 C ATOM 0 HA PRO A 23 -12.425 -1.079 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.374 1.261 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.714 0.160 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.308 0.329 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.193 -1.098 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.240 -0.568 2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.080 -2.068 2.703 1.00 0.00 H new ATOM 372 N ALA A 24 -11.146 0.558 -2.168 1.00 0.00 N ATOM 373 CA ALA A 24 -10.311 1.414 -2.996 1.00 0.00 C ATOM 374 C ALA A 24 -10.445 2.887 -2.621 1.00 0.00 C ATOM 375 O ALA A 24 -9.506 3.677 -2.749 1.00 0.00 O ATOM 376 CB ALA A 24 -10.613 1.181 -4.463 1.00 0.00 C ATOM 0 H ALA A 24 -11.920 0.117 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.271 1.145 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.981 1.828 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.414 0.139 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.661 1.408 -4.659 1.00 0.00 H new ATOM 382 N GLY A 25 -11.586 3.231 -2.120 1.00 0.00 N ATOM 383 CA GLY A 25 -11.859 4.602 -1.757 1.00 0.00 C ATOM 384 C GLY A 25 -11.352 4.959 -0.379 1.00 0.00 C ATOM 385 O GLY A 25 -11.451 6.117 0.052 1.00 0.00 O ATOM 0 H GLY A 25 -12.355 2.584 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.400 5.265 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.934 4.776 -1.799 1.00 0.00 H new ATOM 389 N MET A 26 -10.807 3.990 0.313 1.00 0.00 N ATOM 390 CA MET A 26 -10.312 4.197 1.653 1.00 0.00 C ATOM 391 C MET A 26 -8.908 4.818 1.583 1.00 0.00 C ATOM 392 O MET A 26 -8.295 4.867 0.509 1.00 0.00 O ATOM 393 CB MET A 26 -10.271 2.856 2.394 1.00 0.00 C ATOM 394 CG MET A 26 -9.968 2.941 3.879 1.00 0.00 C ATOM 395 SD MET A 26 -9.820 1.327 4.649 1.00 0.00 S ATOM 396 CE MET A 26 -8.364 0.713 3.813 1.00 0.00 C ATOM 0 H MET A 26 -10.694 3.038 -0.034 1.00 0.00 H new ATOM 0 HA MET A 26 -10.972 4.875 2.194 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.233 2.359 2.265 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.519 2.223 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.041 3.495 4.025 1.00 0.00 H new ATOM 0 HG3 MET A 26 -10.758 3.505 4.375 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.985 -0.164 4.338 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.620 0.440 2.789 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.597 1.488 3.801 1.00 0.00 H new ATOM 406 N SER A 27 -8.423 5.298 2.691 1.00 0.00 N ATOM 407 CA SER A 27 -7.123 5.875 2.775 1.00 0.00 C ATOM 408 C SER A 27 -6.104 4.830 3.192 1.00 0.00 C ATOM 409 O SER A 27 -6.433 3.844 3.876 1.00 0.00 O ATOM 410 CB SER A 27 -7.165 6.984 3.802 1.00 0.00 C ATOM 411 OG SER A 27 -7.653 6.497 5.037 1.00 0.00 O ATOM 0 H SER A 27 -8.933 5.297 3.574 1.00 0.00 H new ATOM 0 HA SER A 27 -6.830 6.267 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.167 7.400 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.802 7.793 3.446 1.00 0.00 H new ATOM 0 HG SER A 27 -7.672 7.226 5.691 1.00 0.00 H new ATOM 417 N LEU A 28 -4.871 5.038 2.773 1.00 0.00 N ATOM 418 CA LEU A 28 -3.766 4.182 3.178 1.00 0.00 C ATOM 419 C LEU A 28 -3.562 4.375 4.678 1.00 0.00 C ATOM 420 O LEU A 28 -3.150 3.473 5.373 1.00 0.00 O ATOM 421 CB LEU A 28 -2.513 4.580 2.363 1.00 0.00 C ATOM 422 CG LEU A 28 -1.264 3.644 2.347 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.567 3.595 3.675 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.638 2.238 1.909 1.00 0.00 C ATOM 0 H LEU A 28 -4.605 5.798 2.147 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.966 3.128 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.829 4.717 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.184 5.553 2.728 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.570 4.071 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.294 2.930 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.233 4.596 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.256 3.223 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.748 1.609 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.373 1.825 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.061 2.270 0.905 1.00 0.00 H new ATOM 436 N ASN A 29 -3.914 5.568 5.148 1.00 0.00 N ATOM 437 CA ASN A 29 -3.838 5.925 6.584 1.00 0.00 C ATOM 438 C ASN A 29 -4.622 4.929 7.430 1.00 0.00 C ATOM 439 O ASN A 29 -4.125 4.424 8.445 1.00 0.00 O ATOM 440 CB ASN A 29 -4.413 7.332 6.860 1.00 0.00 C ATOM 441 CG ASN A 29 -3.686 8.496 6.199 1.00 0.00 C ATOM 442 OD1 ASN A 29 -4.292 9.512 5.899 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.406 8.376 5.976 1.00 0.00 N ATOM 0 H ASN A 29 -4.261 6.322 4.555 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.781 5.907 6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.453 7.347 6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.415 7.496 7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.890 9.141 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.921 7.517 6.236 1.00 0.00 H new ATOM 450 N ASP A 30 -5.844 4.641 7.001 1.00 0.00 N ATOM 451 CA ASP A 30 -6.721 3.725 7.725 1.00 0.00 C ATOM 452 C ASP A 30 -6.179 2.314 7.644 1.00 0.00 C ATOM 453 O ASP A 30 -6.162 1.589 8.626 1.00 0.00 O ATOM 454 CB ASP A 30 -8.125 3.759 7.135 1.00 0.00 C ATOM 455 CG ASP A 30 -9.132 2.965 7.953 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.274 1.746 7.740 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.811 3.564 8.819 1.00 0.00 O ATOM 0 H ASP A 30 -6.253 5.030 6.151 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.762 4.040 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.458 4.794 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.096 3.363 6.120 1.00 0.00 H new ATOM 462 N LEU A 31 -5.703 1.957 6.466 1.00 0.00 N ATOM 463 CA LEU A 31 -5.152 0.622 6.200 1.00 0.00 C ATOM 464 C LEU A 31 -3.939 0.431 7.117 1.00 0.00 C ATOM 465 O LEU A 31 -3.778 -0.607 7.748 1.00 0.00 O ATOM 466 CB LEU A 31 -4.775 0.538 4.690 1.00 0.00 C ATOM 467 CG LEU A 31 -4.521 -0.856 4.048 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.339 -0.713 2.547 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.308 -1.540 4.629 1.00 0.00 C ATOM 0 H LEU A 31 -5.683 2.579 5.658 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.868 -0.173 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.574 1.019 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.876 1.136 4.543 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.393 -1.472 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.162 -1.694 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.238 -0.277 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.486 -0.065 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.172 -2.509 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.426 -0.923 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.449 -1.682 5.700 1.00 0.00 H new ATOM 481 N LYS A 32 -3.127 1.465 7.195 1.00 0.00 N ATOM 482 CA LYS A 32 -1.982 1.520 8.092 1.00 0.00 C ATOM 483 C LYS A 32 -2.377 1.314 9.517 1.00 0.00 C ATOM 484 O LYS A 32 -1.841 0.471 10.157 1.00 0.00 O ATOM 485 CB LYS A 32 -1.268 2.860 7.954 1.00 0.00 C ATOM 486 CG LYS A 32 -0.188 2.880 6.913 1.00 0.00 C ATOM 487 CD LYS A 32 1.187 2.973 7.577 1.00 0.00 C ATOM 488 CE LYS A 32 1.379 1.884 8.621 1.00 0.00 C ATOM 489 NZ LYS A 32 2.622 2.039 9.381 1.00 0.00 N ATOM 0 H LYS A 32 -3.242 2.306 6.630 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.311 0.710 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.004 3.627 7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.833 3.128 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.245 1.978 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.334 3.728 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.965 2.891 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.300 3.951 8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.534 1.894 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.378 0.911 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.499 1.638 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.392 1.540 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.858 3.049 9.459 1.00 0.00 H new ATOM 503 N LYS A 33 -3.331 2.071 9.989 1.00 0.00 N ATOM 504 CA LYS A 33 -3.773 2.003 11.347 1.00 0.00 C ATOM 505 C LYS A 33 -4.347 0.614 11.673 1.00 0.00 C ATOM 506 O LYS A 33 -4.235 0.127 12.794 1.00 0.00 O ATOM 507 CB LYS A 33 -4.794 3.052 11.505 1.00 0.00 C ATOM 508 CG LYS A 33 -5.056 3.397 12.909 1.00 0.00 C ATOM 509 CD LYS A 33 -6.011 4.515 12.985 1.00 0.00 C ATOM 510 CE LYS A 33 -5.494 5.790 12.293 1.00 0.00 C ATOM 511 NZ LYS A 33 -6.466 6.899 12.382 1.00 0.00 N ATOM 0 H LYS A 33 -3.828 2.762 9.427 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.944 2.160 12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.472 3.946 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.722 2.720 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.456 2.531 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.124 3.670 13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.953 4.214 12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.223 4.735 14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.553 6.095 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.284 5.575 11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.080 7.738 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.356 6.618 11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.647 7.122 13.381 1.00 0.00 H new ATOM 525 N LYS A 34 -4.936 -0.018 10.679 1.00 0.00 N ATOM 526 CA LYS A 34 -5.432 -1.345 10.791 1.00 0.00 C ATOM 527 C LYS A 34 -4.282 -2.359 10.827 1.00 0.00 C ATOM 528 O LYS A 34 -4.357 -3.380 11.513 1.00 0.00 O ATOM 529 CB LYS A 34 -6.414 -1.591 9.658 1.00 0.00 C ATOM 530 CG LYS A 34 -7.879 -1.323 10.014 1.00 0.00 C ATOM 531 CD LYS A 34 -8.103 0.115 10.481 1.00 0.00 C ATOM 532 CE LYS A 34 -9.558 0.394 10.789 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.420 0.221 9.599 1.00 0.00 N ATOM 0 H LYS A 34 -5.079 0.398 9.759 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.964 -1.475 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.138 -0.961 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.317 -2.626 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.505 -1.523 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.193 -2.012 10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.502 0.305 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.758 0.804 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.895 -0.274 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.660 1.412 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.322 0.716 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.943 0.617 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.602 -0.792 9.446 1.00 0.00 H new ATOM 547 N LEU A 35 -3.221 -2.054 10.108 1.00 0.00 N ATOM 548 CA LEU A 35 -2.001 -2.826 10.135 1.00 0.00 C ATOM 549 C LEU A 35 -1.275 -2.614 11.454 1.00 0.00 C ATOM 550 O LEU A 35 -0.680 -3.533 11.999 1.00 0.00 O ATOM 551 CB LEU A 35 -1.111 -2.431 8.956 1.00 0.00 C ATOM 552 CG LEU A 35 -1.540 -2.910 7.574 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.545 -2.450 6.535 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.678 -4.430 7.537 1.00 0.00 C ATOM 0 H LEU A 35 -3.184 -1.251 9.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.245 -3.885 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.044 -1.343 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.107 -2.808 9.149 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.515 -2.478 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.860 -2.797 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.494 -1.361 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.438 -2.859 6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.985 -4.743 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.720 -4.888 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.428 -4.745 8.263 1.00 0.00 H new ATOM 566 N GLU A 36 -1.350 -1.407 11.964 1.00 0.00 N ATOM 567 CA GLU A 36 -0.787 -1.038 13.230 1.00 0.00 C ATOM 568 C GLU A 36 -1.437 -1.806 14.351 1.00 0.00 C ATOM 569 O GLU A 36 -0.817 -2.083 15.353 1.00 0.00 O ATOM 570 CB GLU A 36 -0.950 0.445 13.448 1.00 0.00 C ATOM 571 CG GLU A 36 -0.174 1.296 12.484 1.00 0.00 C ATOM 572 CD GLU A 36 1.273 0.966 12.411 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.961 1.239 13.344 1.00 0.00 O ATOM 574 OE2 GLU A 36 1.726 0.462 11.361 1.00 0.00 O ATOM 0 H GLU A 36 -1.820 -0.635 11.490 1.00 0.00 H new ATOM 0 HA GLU A 36 0.275 -1.284 13.223 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.007 0.699 13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.638 0.688 14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.610 1.190 11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.283 2.342 12.771 1.00 0.00 H new ATOM 581 N LEU A 37 -2.689 -2.134 14.178 1.00 0.00 N ATOM 582 CA LEU A 37 -3.408 -2.948 15.139 1.00 0.00 C ATOM 583 C LEU A 37 -2.858 -4.380 15.119 1.00 0.00 C ATOM 584 O LEU A 37 -2.870 -5.081 16.120 1.00 0.00 O ATOM 585 CB LEU A 37 -4.900 -2.956 14.810 1.00 0.00 C ATOM 586 CG LEU A 37 -5.806 -3.717 15.781 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.751 -3.103 17.176 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.231 -3.744 15.262 1.00 0.00 C ATOM 0 H LEU A 37 -3.244 -1.849 13.371 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.271 -2.526 16.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.244 -1.923 14.759 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.029 -3.384 13.816 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.444 -4.743 15.853 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.404 -3.663 17.846 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.728 -3.141 17.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.082 -2.065 17.130 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.863 -4.289 15.963 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.600 -2.724 15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.255 -4.239 14.291 1.00 0.00 H new ATOM 600 N VAL A 38 -2.356 -4.786 13.976 1.00 0.00 N ATOM 601 CA VAL A 38 -1.805 -6.121 13.809 1.00 0.00 C ATOM 602 C VAL A 38 -0.335 -6.163 14.266 1.00 0.00 C ATOM 603 O VAL A 38 0.094 -7.114 14.922 1.00 0.00 O ATOM 604 CB VAL A 38 -1.900 -6.596 12.327 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.348 -8.009 12.158 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.336 -6.524 11.831 1.00 0.00 C ATOM 0 H VAL A 38 -2.316 -4.208 13.137 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.397 -6.795 14.428 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.289 -5.924 11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.429 -8.309 11.113 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.301 -8.029 12.461 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.919 -8.699 12.779 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.380 -6.860 10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.966 -7.165 12.447 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.692 -5.496 11.895 1.00 0.00 H new ATOM 616 N VAL A 39 0.422 -5.128 13.924 1.00 0.00 N ATOM 617 CA VAL A 39 1.843 -5.072 14.268 1.00 0.00 C ATOM 618 C VAL A 39 2.063 -4.520 15.671 1.00 0.00 C ATOM 619 O VAL A 39 3.033 -4.868 16.346 1.00 0.00 O ATOM 620 CB VAL A 39 2.661 -4.263 13.215 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.157 -4.328 13.509 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.382 -4.773 11.806 1.00 0.00 C ATOM 0 H VAL A 39 0.080 -4.316 13.410 1.00 0.00 H new ATOM 0 HA VAL A 39 2.211 -6.098 14.255 1.00 0.00 H new ATOM 0 HB VAL A 39 2.344 -3.222 13.281 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.701 -3.755 12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.352 -3.910 14.496 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.488 -5.366 13.483 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.963 -4.194 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.663 -5.824 11.737 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.320 -4.666 11.584 1.00 0.00 H new ATOM 632 N GLY A 40 1.151 -3.697 16.116 1.00 0.00 N ATOM 633 CA GLY A 40 1.259 -3.110 17.425 1.00 0.00 C ATOM 634 C GLY A 40 2.305 -2.025 17.471 1.00 0.00 C ATOM 635 O GLY A 40 2.762 -1.639 18.552 1.00 0.00 O ATOM 0 H GLY A 40 0.323 -3.417 15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.294 -2.696 17.718 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.507 -3.884 18.151 1.00 0.00 H new ATOM 639 N THR A 41 2.689 -1.516 16.314 1.00 0.00 N ATOM 640 CA THR A 41 3.720 -0.496 16.284 1.00 0.00 C ATOM 641 C THR A 41 3.089 0.880 16.078 1.00 0.00 C ATOM 642 O THR A 41 1.886 1.068 16.332 1.00 0.00 O ATOM 643 CB THR A 41 4.785 -0.808 15.187 1.00 0.00 C ATOM 644 OG1 THR A 41 5.884 0.143 15.212 1.00 0.00 O ATOM 645 CG2 THR A 41 4.169 -0.856 13.806 1.00 0.00 C ATOM 0 H THR A 41 2.313 -1.784 15.404 1.00 0.00 H new ATOM 0 HA THR A 41 4.238 -0.493 17.243 1.00 0.00 H new ATOM 0 HB THR A 41 5.185 -1.795 15.418 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.297 0.189 14.324 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.942 -1.076 13.070 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.407 -1.634 13.775 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.714 0.107 13.577 1.00 0.00 H new ATOM 653 N THR A 42 3.888 1.823 15.680 1.00 0.00 N ATOM 654 CA THR A 42 3.420 3.145 15.410 1.00 0.00 C ATOM 655 C THR A 42 3.738 3.477 13.944 1.00 0.00 C ATOM 656 O THR A 42 4.717 2.970 13.372 1.00 0.00 O ATOM 657 CB THR A 42 4.062 4.172 16.341 1.00 0.00 C ATOM 658 OG1 THR A 42 4.070 3.648 17.675 1.00 0.00 O ATOM 659 CG2 THR A 42 3.244 5.460 16.364 1.00 0.00 C ATOM 0 H THR A 42 4.889 1.694 15.533 1.00 0.00 H new ATOM 0 HA THR A 42 2.345 3.187 15.585 1.00 0.00 H new ATOM 0 HB THR A 42 5.071 4.378 15.984 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.482 4.300 18.280 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.717 6.179 17.033 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.194 5.877 15.358 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.236 5.244 16.718 1.00 0.00 H new ATOM 667 N VAL A 43 2.961 4.366 13.397 1.00 0.00 N ATOM 668 CA VAL A 43 2.912 4.642 11.962 1.00 0.00 C ATOM 669 C VAL A 43 4.253 5.088 11.372 1.00 0.00 C ATOM 670 O VAL A 43 4.646 4.609 10.315 1.00 0.00 O ATOM 671 CB VAL A 43 1.803 5.692 11.635 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.714 5.975 10.147 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.452 5.231 12.170 1.00 0.00 C ATOM 0 H VAL A 43 2.319 4.944 13.940 1.00 0.00 H new ATOM 0 HA VAL A 43 2.668 3.692 11.487 1.00 0.00 H new ATOM 0 HB VAL A 43 2.080 6.622 12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.931 6.710 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.668 6.365 9.793 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.479 5.053 9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.307 5.976 11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.184 4.280 11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.512 5.107 13.251 1.00 0.00 H new ATOM 683 N ASP A 44 4.951 5.955 12.069 1.00 0.00 N ATOM 684 CA ASP A 44 6.213 6.529 11.574 1.00 0.00 C ATOM 685 C ASP A 44 7.286 5.465 11.305 1.00 0.00 C ATOM 686 O ASP A 44 7.933 5.472 10.251 1.00 0.00 O ATOM 687 CB ASP A 44 6.737 7.563 12.572 1.00 0.00 C ATOM 688 CG ASP A 44 8.047 8.205 12.159 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.023 9.247 11.464 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.115 7.699 12.548 1.00 0.00 O ATOM 0 H ASP A 44 4.675 6.290 12.992 1.00 0.00 H new ATOM 0 HA ASP A 44 5.996 7.007 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.986 8.343 12.701 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.868 7.084 13.542 1.00 0.00 H new ATOM 695 N SER A 45 7.424 4.526 12.219 1.00 0.00 N ATOM 696 CA SER A 45 8.456 3.518 12.174 1.00 0.00 C ATOM 697 C SER A 45 8.103 2.345 11.271 1.00 0.00 C ATOM 698 O SER A 45 8.898 1.413 11.112 1.00 0.00 O ATOM 699 CB SER A 45 8.617 3.000 13.560 1.00 0.00 C ATOM 700 OG SER A 45 8.898 4.041 14.484 1.00 0.00 O ATOM 0 H SER A 45 6.809 4.443 13.028 1.00 0.00 H new ATOM 0 HA SER A 45 9.363 3.973 11.775 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.707 2.482 13.862 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.423 2.267 13.582 1.00 0.00 H new ATOM 0 HG SER A 45 8.995 3.663 15.383 1.00 0.00 H new ATOM 706 N MET A 46 6.958 2.393 10.689 1.00 0.00 N ATOM 707 CA MET A 46 6.470 1.277 9.927 1.00 0.00 C ATOM 708 C MET A 46 6.122 1.718 8.504 1.00 0.00 C ATOM 709 O MET A 46 5.203 2.513 8.294 1.00 0.00 O ATOM 710 CB MET A 46 5.269 0.716 10.680 1.00 0.00 C ATOM 711 CG MET A 46 4.699 -0.609 10.205 1.00 0.00 C ATOM 712 SD MET A 46 3.916 -0.561 8.597 1.00 0.00 S ATOM 713 CE MET A 46 3.115 -2.140 8.644 1.00 0.00 C ATOM 0 H MET A 46 6.330 3.196 10.721 1.00 0.00 H new ATOM 0 HA MET A 46 7.225 0.498 9.822 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.551 0.605 11.727 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.472 1.458 10.642 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.503 -1.345 10.180 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.971 -0.958 10.937 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.415 -2.218 7.812 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.862 -2.930 8.564 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.575 -2.246 9.585 1.00 0.00 H new ATOM 723 N ARG A 47 6.853 1.194 7.539 1.00 0.00 N ATOM 724 CA ARG A 47 6.698 1.585 6.140 1.00 0.00 C ATOM 725 C ARG A 47 5.994 0.561 5.260 1.00 0.00 C ATOM 726 O ARG A 47 6.127 -0.650 5.444 1.00 0.00 O ATOM 727 CB ARG A 47 7.979 2.123 5.485 1.00 0.00 C ATOM 728 CG ARG A 47 8.296 3.587 5.815 1.00 0.00 C ATOM 729 CD ARG A 47 8.726 3.821 7.255 1.00 0.00 C ATOM 730 NE ARG A 47 10.093 3.338 7.516 1.00 0.00 N ATOM 731 CZ ARG A 47 10.860 3.728 8.558 1.00 0.00 C ATOM 732 NH1 ARG A 47 10.364 4.509 9.509 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.124 3.332 8.639 1.00 0.00 N ATOM 0 H ARG A 47 7.571 0.487 7.696 1.00 0.00 H new ATOM 0 HA ARG A 47 6.013 2.430 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.819 1.503 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.890 2.019 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.087 3.935 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.415 4.194 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.670 4.886 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.031 3.317 7.926 1.00 0.00 H new ATOM 0 HE ARG A 47 10.489 2.661 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.394 4.821 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.952 4.797 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.518 2.732 7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.702 3.627 9.426 1.00 0.00 H new ATOM 747 N ILE A 48 5.210 1.076 4.329 1.00 0.00 N ATOM 748 CA ILE A 48 4.426 0.266 3.412 1.00 0.00 C ATOM 749 C ILE A 48 5.053 0.279 2.007 1.00 0.00 C ATOM 750 O ILE A 48 5.274 1.352 1.424 1.00 0.00 O ATOM 751 CB ILE A 48 2.972 0.817 3.319 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.299 0.825 4.698 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.138 0.025 2.323 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.193 -0.539 5.344 1.00 0.00 C ATOM 0 H ILE A 48 5.098 2.080 4.187 1.00 0.00 H new ATOM 0 HA ILE A 48 4.411 -0.756 3.792 1.00 0.00 H new ATOM 0 HB ILE A 48 3.035 1.844 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.860 1.485 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.299 1.247 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.130 0.437 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.594 0.088 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.092 -1.018 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.706 -0.445 6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.606 -1.199 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.191 -0.957 5.478 1.00 0.00 H new ATOM 766 N GLN A 49 5.330 -0.897 1.476 1.00 0.00 N ATOM 767 CA GLN A 49 5.886 -1.042 0.149 1.00 0.00 C ATOM 768 C GLN A 49 4.898 -1.698 -0.806 1.00 0.00 C ATOM 769 O GLN A 49 4.131 -2.575 -0.411 1.00 0.00 O ATOM 770 CB GLN A 49 7.174 -1.833 0.177 1.00 0.00 C ATOM 771 CG GLN A 49 8.325 -1.119 0.843 1.00 0.00 C ATOM 772 CD GLN A 49 9.588 -1.945 0.824 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.539 -3.166 0.853 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.713 -1.294 0.751 1.00 0.00 N ATOM 0 H GLN A 49 5.174 -1.782 1.958 1.00 0.00 H new ATOM 0 HA GLN A 49 6.100 -0.037 -0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.997 -2.775 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.458 -2.080 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.504 -0.170 0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.059 -0.886 1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.712 -0.274 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.596 -1.804 0.716 1.00 0.00 H new ATOM 783 N LEU A 50 4.917 -1.272 -2.054 1.00 0.00 N ATOM 784 CA LEU A 50 4.012 -1.818 -3.069 1.00 0.00 C ATOM 785 C LEU A 50 4.799 -2.620 -4.106 1.00 0.00 C ATOM 786 O LEU A 50 5.708 -2.089 -4.771 1.00 0.00 O ATOM 787 CB LEU A 50 3.197 -0.654 -3.728 1.00 0.00 C ATOM 788 CG LEU A 50 2.077 -0.978 -4.771 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.288 0.282 -5.054 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.657 -1.486 -6.085 1.00 0.00 C ATOM 0 H LEU A 50 5.548 -0.548 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 50 3.305 -2.501 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.735 -0.085 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.913 0.008 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 50 1.442 -1.757 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.505 0.065 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.836 0.644 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.954 1.046 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.847 -1.699 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.312 -0.726 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.228 -2.396 -5.903 1.00 0.00 H new ATOM 802 N PHE A 51 4.455 -3.881 -4.239 1.00 0.00 N ATOM 803 CA PHE A 51 5.068 -4.766 -5.212 1.00 0.00 C ATOM 804 C PHE A 51 3.990 -5.280 -6.172 1.00 0.00 C ATOM 805 O PHE A 51 2.999 -5.871 -5.730 1.00 0.00 O ATOM 806 CB PHE A 51 5.728 -5.985 -4.511 1.00 0.00 C ATOM 807 CG PHE A 51 6.920 -5.711 -3.626 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.792 -5.021 -2.433 1.00 0.00 C ATOM 809 CD2 PHE A 51 8.171 -6.181 -3.985 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.891 -4.803 -1.625 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.270 -5.962 -3.181 1.00 0.00 C ATOM 812 CZ PHE A 51 9.129 -5.272 -1.999 1.00 0.00 C ATOM 0 H PHE A 51 3.735 -4.328 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 51 5.833 -4.209 -5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.967 -6.481 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.035 -6.692 -5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.824 -4.650 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.289 -6.728 -4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.778 -4.263 -0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.240 -6.332 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.987 -5.099 -1.367 1.00 0.00 H new ATOM 822 N ASP A 52 4.168 -5.034 -7.460 1.00 0.00 N ATOM 823 CA ASP A 52 3.283 -5.546 -8.518 1.00 0.00 C ATOM 824 C ASP A 52 3.715 -4.916 -9.820 1.00 0.00 C ATOM 825 O ASP A 52 4.808 -4.350 -9.893 1.00 0.00 O ATOM 826 CB ASP A 52 1.810 -5.218 -8.274 1.00 0.00 C ATOM 827 CG ASP A 52 0.888 -6.132 -9.069 1.00 0.00 C ATOM 828 OD1 ASP A 52 0.747 -7.305 -8.692 1.00 0.00 O ATOM 829 OD2 ASP A 52 0.346 -5.708 -10.097 1.00 0.00 O ATOM 0 H ASP A 52 4.938 -4.467 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 52 3.367 -6.633 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.588 -5.313 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.618 -4.181 -8.548 1.00 0.00 H new ATOM 834 N GLY A 53 2.871 -4.993 -10.830 1.00 0.00 N ATOM 835 CA GLY A 53 3.175 -4.511 -12.167 1.00 0.00 C ATOM 836 C GLY A 53 4.118 -5.451 -12.844 1.00 0.00 C ATOM 837 O GLY A 53 3.791 -6.101 -13.835 1.00 0.00 O ATOM 0 H GLY A 53 1.939 -5.399 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.257 -4.421 -12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.616 -3.516 -12.113 1.00 0.00 H new ATOM 841 N ASP A 54 5.254 -5.531 -12.274 1.00 0.00 N ATOM 842 CA ASP A 54 6.288 -6.435 -12.659 1.00 0.00 C ATOM 843 C ASP A 54 6.144 -7.638 -11.780 1.00 0.00 C ATOM 844 O ASP A 54 5.733 -8.713 -12.226 1.00 0.00 O ATOM 845 CB ASP A 54 7.664 -5.784 -12.416 1.00 0.00 C ATOM 846 CG ASP A 54 8.836 -6.716 -12.659 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.317 -6.792 -13.799 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.303 -7.364 -11.705 1.00 0.00 O ATOM 0 H ASP A 54 5.513 -4.941 -11.483 1.00 0.00 H new ATOM 0 HA ASP A 54 6.214 -6.697 -13.714 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.763 -4.914 -13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.707 -5.422 -11.389 1.00 0.00 H new ATOM 853 N ASP A 55 6.400 -7.399 -10.504 1.00 0.00 N ATOM 854 CA ASP A 55 6.375 -8.382 -9.429 1.00 0.00 C ATOM 855 C ASP A 55 7.109 -7.763 -8.278 1.00 0.00 C ATOM 856 O ASP A 55 6.738 -7.899 -7.119 1.00 0.00 O ATOM 857 CB ASP A 55 7.116 -9.657 -9.840 1.00 0.00 C ATOM 858 CG ASP A 55 7.116 -10.715 -8.778 1.00 0.00 C ATOM 859 OD1 ASP A 55 6.087 -11.401 -8.617 1.00 0.00 O ATOM 860 OD2 ASP A 55 8.154 -10.915 -8.122 1.00 0.00 O ATOM 0 H ASP A 55 6.644 -6.466 -10.171 1.00 0.00 H new ATOM 0 HA ASP A 55 5.347 -8.646 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.657 -10.060 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.146 -9.405 -10.091 1.00 0.00 H new ATOM 865 N GLN A 56 8.146 -7.048 -8.645 1.00 0.00 N ATOM 866 CA GLN A 56 9.026 -6.376 -7.727 1.00 0.00 C ATOM 867 C GLN A 56 8.436 -5.035 -7.272 1.00 0.00 C ATOM 868 O GLN A 56 7.321 -4.656 -7.673 1.00 0.00 O ATOM 869 CB GLN A 56 10.358 -6.166 -8.419 1.00 0.00 C ATOM 870 CG GLN A 56 10.964 -7.462 -8.909 1.00 0.00 C ATOM 871 CD GLN A 56 12.213 -7.267 -9.711 1.00 0.00 C ATOM 872 OE1 GLN A 56 13.313 -7.259 -9.179 1.00 0.00 O ATOM 873 NE2 GLN A 56 12.055 -7.115 -10.998 1.00 0.00 N ATOM 0 H GLN A 56 8.406 -6.916 -9.622 1.00 0.00 H new ATOM 0 HA GLN A 56 9.158 -6.986 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.223 -5.489 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.050 -5.682 -7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.187 -8.098 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.230 -7.991 -9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.118 -7.128 -11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.868 -6.983 -11.600 1.00 0.00 H new ATOM 882 N LEU A 57 9.188 -4.331 -6.448 1.00 0.00 N ATOM 883 CA LEU A 57 8.780 -3.062 -5.871 1.00 0.00 C ATOM 884 C LEU A 57 8.573 -2.002 -6.944 1.00 0.00 C ATOM 885 O LEU A 57 9.361 -1.897 -7.893 1.00 0.00 O ATOM 886 CB LEU A 57 9.865 -2.584 -4.885 1.00 0.00 C ATOM 887 CG LEU A 57 9.602 -1.276 -4.129 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.408 -1.418 -3.213 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.830 -0.858 -3.341 1.00 0.00 C ATOM 0 H LEU A 57 10.118 -4.630 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 57 7.832 -3.210 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.023 -3.373 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.798 -2.472 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 57 9.381 -0.499 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.239 -0.479 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.525 -1.667 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.597 -2.211 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.623 0.072 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.083 -1.637 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.667 -0.709 -4.023 1.00 0.00 H new ATOM 901 N LYS A 58 7.501 -1.253 -6.813 1.00 0.00 N ATOM 902 CA LYS A 58 7.271 -0.109 -7.669 1.00 0.00 C ATOM 903 C LYS A 58 7.702 1.145 -6.946 1.00 0.00 C ATOM 904 O LYS A 58 8.382 2.007 -7.500 1.00 0.00 O ATOM 905 CB LYS A 58 5.799 0.016 -8.088 1.00 0.00 C ATOM 906 CG LYS A 58 5.308 -1.084 -9.023 1.00 0.00 C ATOM 907 CD LYS A 58 3.867 -0.850 -9.499 1.00 0.00 C ATOM 908 CE LYS A 58 3.733 0.463 -10.274 1.00 0.00 C ATOM 909 NZ LYS A 58 2.368 0.672 -10.811 1.00 0.00 N ATOM 0 H LYS A 58 6.771 -1.416 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 58 7.857 -0.247 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.179 0.016 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.655 0.980 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.968 -1.143 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.367 -2.045 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.554 -1.680 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.198 -0.835 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.993 1.295 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.448 0.469 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.332 1.575 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.126 -0.106 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.686 0.694 -10.026 1.00 0.00 H new ATOM 923 N GLY A 59 7.334 1.228 -5.690 1.00 0.00 N ATOM 924 CA GLY A 59 7.693 2.364 -4.902 1.00 0.00 C ATOM 925 C GLY A 59 7.191 2.265 -3.494 1.00 0.00 C ATOM 926 O GLY A 59 6.511 1.286 -3.128 1.00 0.00 O ATOM 0 H GLY A 59 6.787 0.520 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.778 2.467 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.292 3.265 -5.365 1.00 0.00 H new ATOM 930 N GLU A 60 7.530 3.247 -2.703 1.00 0.00 N ATOM 931 CA GLU A 60 7.119 3.316 -1.335 1.00 0.00 C ATOM 932 C GLU A 60 5.977 4.303 -1.236 1.00 0.00 C ATOM 933 O GLU A 60 6.114 5.473 -1.632 1.00 0.00 O ATOM 934 CB GLU A 60 8.288 3.774 -0.463 1.00 0.00 C ATOM 935 CG GLU A 60 7.980 3.835 1.025 1.00 0.00 C ATOM 936 CD GLU A 60 9.144 4.348 1.824 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.025 3.544 2.198 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.204 5.566 2.082 1.00 0.00 O ATOM 0 H GLU A 60 8.109 4.032 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 60 6.796 2.335 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.128 3.098 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.608 4.762 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.116 4.479 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.708 2.841 1.379 1.00 0.00 H new ATOM 945 N LEU A 61 4.861 3.854 -0.732 1.00 0.00 N ATOM 946 CA LEU A 61 3.721 4.713 -0.630 1.00 0.00 C ATOM 947 C LEU A 61 3.606 5.377 0.712 1.00 0.00 C ATOM 948 O LEU A 61 4.375 6.263 1.017 1.00 0.00 O ATOM 949 CB LEU A 61 2.377 4.105 -1.171 1.00 0.00 C ATOM 950 CG LEU A 61 1.866 2.756 -0.598 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.473 2.472 -1.116 1.00 0.00 C ATOM 952 CD2 LEU A 61 2.775 1.607 -0.995 1.00 0.00 C ATOM 0 H LEU A 61 4.720 2.904 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 61 3.921 5.519 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.594 4.846 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.484 3.983 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 61 1.858 2.840 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.120 1.524 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.200 3.272 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.494 2.415 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.389 0.677 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.811 1.530 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.779 1.788 -0.611 1.00 0.00 H new ATOM 964 N THR A 62 2.618 4.977 1.448 1.00 0.00 N ATOM 965 CA THR A 62 2.342 5.357 2.849 1.00 0.00 C ATOM 966 C THR A 62 1.668 6.749 2.945 1.00 0.00 C ATOM 967 O THR A 62 1.437 7.271 4.035 1.00 0.00 O ATOM 968 CB THR A 62 3.553 5.150 3.881 1.00 0.00 C ATOM 969 OG1 THR A 62 3.029 5.048 5.213 1.00 0.00 O ATOM 970 CG2 THR A 62 4.556 6.301 3.879 1.00 0.00 C ATOM 0 H THR A 62 1.918 4.330 1.085 1.00 0.00 H new ATOM 0 HA THR A 62 1.616 4.623 3.197 1.00 0.00 H new ATOM 0 HB THR A 62 4.070 4.244 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.337 5.729 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.348 6.095 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.989 6.405 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.049 7.226 4.152 1.00 0.00 H new ATOM 978 N ASP A 63 1.327 7.311 1.773 1.00 0.00 N ATOM 979 CA ASP A 63 0.673 8.632 1.650 1.00 0.00 C ATOM 980 C ASP A 63 -0.607 8.678 2.484 1.00 0.00 C ATOM 981 O ASP A 63 -0.666 9.325 3.520 1.00 0.00 O ATOM 982 CB ASP A 63 0.313 8.916 0.177 1.00 0.00 C ATOM 983 CG ASP A 63 1.500 8.841 -0.763 1.00 0.00 C ATOM 984 OD1 ASP A 63 1.878 7.718 -1.172 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.064 9.891 -1.109 1.00 0.00 O ATOM 0 H ASP A 63 1.498 6.860 0.874 1.00 0.00 H new ATOM 0 HA ASP A 63 1.372 9.386 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.443 8.201 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.134 9.907 0.106 1.00 0.00 H new ATOM 990 N GLY A 64 -1.634 8.000 2.004 1.00 0.00 N ATOM 991 CA GLY A 64 -2.886 7.858 2.741 1.00 0.00 C ATOM 992 C GLY A 64 -3.795 9.059 2.740 1.00 0.00 C ATOM 993 O GLY A 64 -4.983 8.897 2.897 1.00 0.00 O ATOM 0 H GLY A 64 -1.629 7.533 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.434 7.012 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.649 7.608 3.775 1.00 0.00 H new ATOM 997 N ALA A 65 -3.257 10.249 2.540 1.00 0.00 N ATOM 998 CA ALA A 65 -4.075 11.473 2.531 1.00 0.00 C ATOM 999 C ALA A 65 -4.851 11.600 1.204 1.00 0.00 C ATOM 1000 O ALA A 65 -5.462 12.621 0.902 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.199 12.688 2.772 1.00 0.00 C ATOM 0 H ALA A 65 -2.262 10.405 2.381 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.806 11.413 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.814 13.588 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.706 12.595 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.446 12.756 1.986 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.816 10.535 0.460 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.461 10.361 -0.800 1.00 0.00 C ATOM 1009 C LYS A 66 -5.853 8.882 -0.864 1.00 0.00 C ATOM 1010 O LYS A 66 -5.295 8.076 -0.087 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.503 10.831 -1.921 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.116 10.210 -1.845 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.991 11.041 -2.542 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.112 11.223 -4.071 1.00 0.00 C ATOM 1015 NZ LYS A 66 -3.231 12.091 -4.492 1.00 0.00 N ATOM 0 H LYS A 66 -4.295 9.705 0.743 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.363 10.959 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.945 10.592 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.408 11.916 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.851 10.072 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.151 9.219 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.963 12.029 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.034 10.564 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.180 11.642 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.233 10.243 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.957 12.622 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.064 11.505 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.460 12.757 -3.727 1.00 0.00 H new ATOM 1029 N SER A 67 -6.763 8.505 -1.738 1.00 0.00 N ATOM 1030 CA SER A 67 -7.336 7.194 -1.679 1.00 0.00 C ATOM 1031 C SER A 67 -6.380 6.173 -2.192 1.00 0.00 C ATOM 1032 O SER A 67 -5.431 6.489 -2.896 1.00 0.00 O ATOM 1033 CB SER A 67 -8.598 7.131 -2.525 1.00 0.00 C ATOM 1034 OG SER A 67 -9.469 8.192 -2.227 1.00 0.00 O ATOM 0 H SER A 67 -7.115 9.093 -2.493 1.00 0.00 H new ATOM 0 HA SER A 67 -7.571 6.985 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.331 7.163 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.106 6.182 -2.353 1.00 0.00 H new ATOM 0 HG SER A 67 -10.270 8.125 -2.788 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.651 4.966 -1.861 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.897 3.836 -2.316 1.00 0.00 C ATOM 1042 C LEU A 68 -6.069 3.688 -3.810 1.00 0.00 C ATOM 1043 O LEU A 68 -5.161 3.262 -4.527 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.417 2.610 -1.590 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.192 2.620 -0.082 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.946 1.497 0.596 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.721 2.501 0.209 1.00 0.00 C ATOM 0 H LEU A 68 -7.427 4.718 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.835 3.963 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.485 2.516 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.938 1.725 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.570 3.563 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.764 1.533 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.013 1.608 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.605 0.540 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.562 2.508 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.342 1.568 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.192 3.341 -0.242 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.226 4.099 -4.274 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.570 3.999 -5.667 1.00 0.00 C ATOM 1061 C LYS A 69 -6.837 5.110 -6.384 1.00 0.00 C ATOM 1062 O LYS A 69 -6.257 4.920 -7.444 1.00 0.00 O ATOM 1063 CB LYS A 69 -9.090 4.141 -5.822 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.685 3.520 -7.084 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.277 4.203 -8.360 1.00 0.00 C ATOM 1066 CE LYS A 69 -9.871 3.485 -9.554 1.00 0.00 C ATOM 1067 NZ LYS A 69 -11.351 3.400 -9.476 1.00 0.00 N ATOM 0 H LYS A 69 -7.955 4.513 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.284 3.036 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.570 3.688 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.341 5.202 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.387 2.473 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.772 3.539 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.611 5.241 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.190 4.219 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.586 4.006 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.454 2.480 -9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.740 3.239 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.621 2.612 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.730 4.289 -9.093 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.841 6.263 -5.740 1.00 0.00 N ATOM 1082 CA ASP A 70 -6.189 7.464 -6.223 1.00 0.00 C ATOM 1083 C ASP A 70 -4.674 7.256 -6.279 1.00 0.00 C ATOM 1084 O ASP A 70 -3.983 7.793 -7.145 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.533 8.586 -5.274 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.990 9.913 -5.692 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -6.536 10.529 -6.637 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -5.052 10.375 -5.076 1.00 0.00 O ATOM 0 H ASP A 70 -7.310 6.392 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.529 7.705 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.617 8.658 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.150 8.342 -4.283 1.00 0.00 H new ATOM 1093 N LEU A 71 -4.185 6.456 -5.355 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.763 6.071 -5.291 1.00 0.00 C ATOM 1095 C LEU A 71 -2.393 5.067 -6.374 1.00 0.00 C ATOM 1096 O LEU A 71 -1.213 4.812 -6.609 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.403 5.474 -3.918 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.387 6.423 -2.723 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.088 5.655 -1.444 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -1.344 7.494 -2.937 1.00 0.00 C ATOM 0 H LEU A 71 -4.754 6.044 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.195 6.987 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.110 4.673 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.417 5.016 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.367 6.890 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.080 6.344 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.856 4.897 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.114 5.173 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.336 8.170 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.363 7.031 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.580 8.056 -3.841 1.00 0.00 H new ATOM 1112 N GLY A 72 -3.382 4.493 -7.013 1.00 0.00 N ATOM 1113 CA GLY A 72 -3.119 3.534 -8.062 1.00 0.00 C ATOM 1114 C GLY A 72 -2.842 2.157 -7.514 1.00 0.00 C ATOM 1115 O GLY A 72 -2.200 1.329 -8.174 1.00 0.00 O ATOM 0 H GLY A 72 -4.370 4.670 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.975 3.490 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.265 3.868 -8.652 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.303 1.908 -6.309 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.134 0.619 -5.694 1.00 0.00 C ATOM 1121 C VAL A 73 -4.349 -0.212 -6.048 1.00 0.00 C ATOM 1122 O VAL A 73 -5.442 0.002 -5.517 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.012 0.724 -4.151 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.662 -0.628 -3.548 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.986 1.770 -3.756 1.00 0.00 C ATOM 0 H VAL A 73 -3.801 2.589 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.213 0.165 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.979 1.036 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.581 -0.533 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.443 -1.348 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.711 -0.972 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.920 1.823 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.013 1.498 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.287 2.741 -4.149 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.181 -1.106 -6.973 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.276 -1.906 -7.444 1.00 0.00 C ATOM 1137 C ARG A 74 -5.273 -3.299 -6.878 1.00 0.00 C ATOM 1138 O ARG A 74 -4.409 -3.673 -6.085 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.312 -1.967 -8.972 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.660 -0.660 -9.660 1.00 0.00 C ATOM 1141 CD ARG A 74 -7.013 -0.161 -9.186 1.00 0.00 C ATOM 1142 NE ARG A 74 -8.037 -1.225 -9.234 1.00 0.00 N ATOM 1143 CZ ARG A 74 -9.277 -1.111 -8.760 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -9.718 0.073 -8.347 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -10.055 -2.174 -8.708 1.00 0.00 N ATOM 0 H ARG A 74 -3.287 -1.303 -7.423 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.177 -1.409 -7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.338 -2.300 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.038 -2.723 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.894 0.086 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.675 -0.802 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.925 0.214 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.330 0.677 -9.807 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.775 -2.113 -9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.108 0.889 -8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.666 0.165 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.707 -3.077 -9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.005 -2.093 -8.346 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.254 -4.050 -7.298 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.429 -5.423 -6.917 1.00 0.00 C ATOM 1161 C ASP A 75 -5.399 -6.294 -7.553 1.00 0.00 C ATOM 1162 O ASP A 75 -4.947 -6.045 -8.670 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.831 -5.907 -7.290 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.175 -5.624 -8.733 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.648 -4.499 -9.031 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.967 -6.489 -9.592 1.00 0.00 O ATOM 0 H ASP A 75 -6.976 -3.712 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.309 -5.488 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.903 -6.979 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.563 -5.423 -6.644 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.022 -7.293 -6.836 1.00 0.00 N ATOM 1172 CA GLY A 76 -4.022 -8.238 -7.306 1.00 0.00 C ATOM 1173 C GLY A 76 -2.590 -7.804 -6.990 1.00 0.00 C ATOM 1174 O GLY A 76 -1.649 -8.565 -7.203 1.00 0.00 O ATOM 0 H GLY A 76 -5.387 -7.495 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.209 -9.211 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.128 -8.364 -8.384 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.436 -6.595 -6.504 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.133 -6.039 -6.126 1.00 0.00 C ATOM 1180 C TYR A 77 -0.754 -6.555 -4.746 1.00 0.00 C ATOM 1181 O TYR A 77 -1.629 -6.976 -3.975 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.205 -4.490 -6.115 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.368 -3.831 -7.494 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.306 -4.277 -8.418 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.580 -2.752 -7.856 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.446 -3.675 -9.649 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.714 -2.146 -9.089 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.649 -2.612 -9.978 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.787 -2.006 -11.205 1.00 0.00 O ATOM 0 H TYR A 77 -3.214 -5.952 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.378 -6.348 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.040 -4.186 -5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.298 -4.104 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.939 -5.114 -8.165 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.155 -2.377 -7.159 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.181 -4.040 -10.351 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.085 -1.308 -9.353 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.147 -1.268 -11.279 1.00 0.00 H new ATOM 1199 N ARG A 78 0.515 -6.564 -4.425 1.00 0.00 N ATOM 1200 CA ARG A 78 0.906 -7.039 -3.128 1.00 0.00 C ATOM 1201 C ARG A 78 1.526 -5.930 -2.304 1.00 0.00 C ATOM 1202 O ARG A 78 2.405 -5.191 -2.770 1.00 0.00 O ATOM 1203 CB ARG A 78 1.789 -8.302 -3.201 1.00 0.00 C ATOM 1204 CG ARG A 78 3.156 -8.121 -3.806 1.00 0.00 C ATOM 1205 CD ARG A 78 3.420 -9.177 -4.854 1.00 0.00 C ATOM 1206 NE ARG A 78 2.502 -9.018 -5.996 1.00 0.00 N ATOM 1207 CZ ARG A 78 1.876 -10.016 -6.630 1.00 0.00 C ATOM 1208 NH1 ARG A 78 1.984 -11.261 -6.185 1.00 0.00 N ATOM 1209 NH2 ARG A 78 1.099 -9.749 -7.671 1.00 0.00 N ATOM 0 H ARG A 78 1.277 -6.255 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 78 0.000 -7.351 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.910 -8.695 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.257 -9.060 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.233 -7.130 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.915 -8.178 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.452 -9.105 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.297 -10.168 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 78 2.330 -8.070 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.546 -11.460 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.505 -12.020 -6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.981 -8.786 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.620 -10.507 -8.157 1.00 0.00 H new ATOM 1223 N ILE A 79 1.047 -5.799 -1.106 1.00 0.00 N ATOM 1224 CA ILE A 79 1.492 -4.784 -0.204 1.00 0.00 C ATOM 1225 C ILE A 79 2.386 -5.389 0.844 1.00 0.00 C ATOM 1226 O ILE A 79 1.994 -6.309 1.567 1.00 0.00 O ATOM 1227 CB ILE A 79 0.298 -4.033 0.461 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.504 -3.242 -0.589 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.757 -3.124 1.595 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.296 -2.179 -1.329 1.00 0.00 C ATOM 0 H ILE A 79 0.323 -6.406 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 79 2.055 -4.048 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.357 -4.787 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.914 -3.942 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.350 -2.763 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.106 -2.621 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.253 -3.720 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.453 -2.380 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.349 -1.673 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.684 -1.452 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.127 -2.649 -1.855 1.00 0.00 H new ATOM 1242 N HIS A 80 3.575 -4.895 0.907 1.00 0.00 N ATOM 1243 CA HIS A 80 4.532 -5.343 1.856 1.00 0.00 C ATOM 1244 C HIS A 80 4.614 -4.373 3.006 1.00 0.00 C ATOM 1245 O HIS A 80 4.966 -3.215 2.833 1.00 0.00 O ATOM 1246 CB HIS A 80 5.906 -5.557 1.196 1.00 0.00 C ATOM 1247 CG HIS A 80 7.012 -5.837 2.167 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.225 -7.064 2.750 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.939 -5.007 2.684 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.230 -6.976 3.589 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.687 -5.739 3.566 1.00 0.00 N ATOM 0 H HIS A 80 3.914 -4.157 0.290 1.00 0.00 H new ATOM 0 HA HIS A 80 4.211 -6.308 2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.835 -6.387 0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.161 -4.670 0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.068 -3.961 2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.618 -7.781 4.196 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.470 -5.386 4.116 1.00 0.00 H new ATOM 1260 N ALA A 81 4.289 -4.853 4.149 1.00 0.00 N ATOM 1261 CA ALA A 81 4.323 -4.088 5.344 1.00 0.00 C ATOM 1262 C ALA A 81 5.598 -4.405 6.085 1.00 0.00 C ATOM 1263 O ALA A 81 6.008 -5.565 6.147 1.00 0.00 O ATOM 1264 CB ALA A 81 3.118 -4.460 6.178 1.00 0.00 C ATOM 0 H ALA A 81 3.983 -5.816 4.285 1.00 0.00 H new ATOM 0 HA ALA A 81 4.297 -3.020 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.124 -3.883 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.208 -4.242 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.153 -5.524 6.414 1.00 0.00 H new ATOM 1270 N VAL A 82 6.247 -3.408 6.608 1.00 0.00 N ATOM 1271 CA VAL A 82 7.447 -3.642 7.351 1.00 0.00 C ATOM 1272 C VAL A 82 7.589 -2.649 8.495 1.00 0.00 C ATOM 1273 O VAL A 82 7.404 -1.446 8.319 1.00 0.00 O ATOM 1274 CB VAL A 82 8.699 -3.579 6.407 1.00 0.00 C ATOM 1275 CG1 VAL A 82 8.864 -2.215 5.731 1.00 0.00 C ATOM 1276 CG2 VAL A 82 9.976 -4.000 7.115 1.00 0.00 C ATOM 0 H VAL A 82 5.967 -2.430 6.534 1.00 0.00 H new ATOM 0 HA VAL A 82 7.386 -4.641 7.782 1.00 0.00 H new ATOM 0 HB VAL A 82 8.509 -4.304 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.746 -2.231 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.982 -1.998 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.982 -1.444 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.814 -3.940 6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.158 -3.338 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.873 -5.025 7.472 1.00 0.00 H new ATOM 1286 N ASP A 83 7.895 -3.150 9.666 1.00 0.00 N ATOM 1287 CA ASP A 83 8.193 -2.280 10.774 1.00 0.00 C ATOM 1288 C ASP A 83 9.655 -2.260 10.936 1.00 0.00 C ATOM 1289 O ASP A 83 10.325 -3.287 10.762 1.00 0.00 O ATOM 1290 CB ASP A 83 7.508 -2.673 12.074 1.00 0.00 C ATOM 1291 CG ASP A 83 7.837 -1.676 13.170 1.00 0.00 C ATOM 1292 OD1 ASP A 83 7.281 -0.585 13.179 1.00 0.00 O ATOM 1293 OD2 ASP A 83 8.670 -1.977 14.022 1.00 0.00 O ATOM 0 H ASP A 83 7.944 -4.147 9.875 1.00 0.00 H new ATOM 0 HA ASP A 83 7.800 -1.289 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.429 -2.716 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.828 -3.671 12.374 1.00 0.00 H new ATOM 1298 N VAL A 84 10.171 -1.136 11.214 1.00 0.00 N ATOM 1299 CA VAL A 84 11.567 -0.988 11.233 1.00 0.00 C ATOM 1300 C VAL A 84 12.144 -0.983 12.651 1.00 0.00 C ATOM 1301 O VAL A 84 13.287 -1.410 12.859 1.00 0.00 O ATOM 1302 CB VAL A 84 11.963 0.267 10.436 1.00 0.00 C ATOM 1303 CG1 VAL A 84 13.452 0.407 10.336 1.00 0.00 C ATOM 1304 CG2 VAL A 84 11.344 0.211 9.044 1.00 0.00 C ATOM 0 H VAL A 84 9.642 -0.292 11.435 1.00 0.00 H new ATOM 0 HA VAL A 84 12.007 -1.861 10.750 1.00 0.00 H new ATOM 0 HB VAL A 84 11.584 1.140 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.696 1.304 9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.878 0.485 11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.867 -0.466 9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.627 1.102 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.703 -0.676 8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.258 0.167 9.130 1.00 0.00 H new ATOM 1314 N THR A 85 11.374 -0.561 13.635 1.00 0.00 N ATOM 1315 CA THR A 85 11.939 -0.464 14.964 1.00 0.00 C ATOM 1316 C THR A 85 11.735 -1.721 15.806 1.00 0.00 C ATOM 1317 O THR A 85 12.606 -2.113 16.578 1.00 0.00 O ATOM 1318 CB THR A 85 11.414 0.772 15.702 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.967 0.779 15.676 1.00 0.00 O ATOM 1320 CG2 THR A 85 11.950 2.051 15.074 1.00 0.00 C ATOM 0 H THR A 85 10.395 -0.290 13.547 1.00 0.00 H new ATOM 0 HA THR A 85 13.015 -0.360 14.821 1.00 0.00 H new ATOM 0 HB THR A 85 11.760 0.729 16.735 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.635 1.570 16.150 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.562 2.913 15.617 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.039 2.052 15.123 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.633 2.105 14.032 1.00 0.00 H new ATOM 1328 N GLY A 86 10.631 -2.353 15.628 1.00 0.00 N ATOM 1329 CA GLY A 86 10.348 -3.590 16.299 1.00 0.00 C ATOM 1330 C GLY A 86 10.356 -4.689 15.317 1.00 0.00 C ATOM 1331 O GLY A 86 10.195 -5.858 15.662 1.00 0.00 O ATOM 0 H GLY A 86 9.886 -2.031 15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.091 -3.775 17.075 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.378 -3.535 16.793 1.00 0.00 H new ATOM 1335 N GLY A 87 10.540 -4.301 14.081 1.00 0.00 N ATOM 1336 CA GLY A 87 10.512 -5.219 13.005 1.00 0.00 C ATOM 1337 C GLY A 87 11.874 -5.708 12.674 1.00 0.00 C ATOM 1338 O GLY A 87 12.847 -4.951 12.744 1.00 0.00 O ATOM 0 H GLY A 87 10.713 -3.334 13.807 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.873 -6.064 13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.072 -4.742 12.129 1.00 0.00 H new ATOM 1342 N ASN A 88 11.960 -6.956 12.357 1.00 0.00 N ATOM 1343 CA ASN A 88 13.213 -7.567 12.021 1.00 0.00 C ATOM 1344 C ASN A 88 13.382 -7.715 10.514 1.00 0.00 C ATOM 1345 O ASN A 88 12.410 -7.914 9.785 1.00 0.00 O ATOM 1346 CB ASN A 88 13.326 -8.959 12.673 1.00 0.00 C ATOM 1347 CG ASN A 88 12.343 -9.970 12.088 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.661 -10.693 11.143 1.00 0.00 O ATOM 1349 ND2 ASN A 88 11.149 -10.009 12.620 1.00 0.00 N ATOM 0 H ASN A 88 11.161 -7.589 12.322 1.00 0.00 H new ATOM 0 HA ASN A 88 13.999 -6.913 12.399 1.00 0.00 H new ATOM 0 HB2 ASN A 88 14.342 -9.333 12.546 1.00 0.00 H new ATOM 0 HB3 ASN A 88 13.151 -8.868 13.745 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.448 -10.652 12.253 1.00 0.00 H new ATOM 0 HD22 ASN A 88 10.919 -9.396 13.402 1.00 0.00 H new ATOM 1356 N GLU A 89 14.601 -7.562 10.087 1.00 0.00 N ATOM 1357 CA GLU A 89 15.081 -7.924 8.749 1.00 0.00 C ATOM 1358 C GLU A 89 16.379 -8.676 8.959 1.00 0.00 C ATOM 1359 O GLU A 89 17.206 -8.869 8.063 1.00 0.00 O ATOM 1360 CB GLU A 89 15.257 -6.699 7.842 1.00 0.00 C ATOM 1361 CG GLU A 89 13.942 -6.163 7.278 1.00 0.00 C ATOM 1362 CD GLU A 89 13.298 -7.128 6.281 1.00 0.00 C ATOM 1363 OE1 GLU A 89 12.636 -8.104 6.694 1.00 0.00 O ATOM 1364 OE2 GLU A 89 13.442 -6.910 5.058 1.00 0.00 O ATOM 0 H GLU A 89 15.335 -7.165 10.674 1.00 0.00 H new ATOM 0 HA GLU A 89 14.352 -8.545 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.751 -5.907 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.918 -6.961 7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.248 -5.975 8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.123 -5.206 6.788 1.00 0.00 H new ATOM 1371 N ASP A 90 16.492 -9.124 10.185 1.00 0.00 N ATOM 1372 CA ASP A 90 17.599 -9.869 10.706 1.00 0.00 C ATOM 1373 C ASP A 90 17.369 -11.322 10.394 1.00 0.00 C ATOM 1374 O ASP A 90 16.473 -11.934 11.030 1.00 0.00 O ATOM 1375 CB ASP A 90 17.657 -9.666 12.220 1.00 0.00 C ATOM 1376 CG ASP A 90 18.796 -10.393 12.890 1.00 0.00 C ATOM 1377 OD1 ASP A 90 18.643 -11.582 13.254 1.00 0.00 O ATOM 1378 OD2 ASP A 90 19.851 -9.769 13.107 1.00 0.00 O ATOM 0 H ASP A 90 15.766 -8.966 10.884 1.00 0.00 H new ATOM 0 HA ASP A 90 18.538 -9.538 10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 90 17.745 -8.600 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.717 -10.001 12.658 1.00 0.00 H new TER 1383 ASP A 90