USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 89 THR OG1 : rot 110:sc= 0.368 USER MOD Set 1.2: A 90 HIS : no HE2:sc= -4.42! C(o=-4.1!,f=-10!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 130:sc= 1.39 (180deg=-0.00288) USER MOD Set 2.2: A 73 TYR OH : rot -106:sc= 2.06 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 80 TYR OH : rot 85:sc= 0.579 USER MOD Single : A 2 THR OG1 : rot -58:sc= 1.36 USER MOD Single : A 3 TYR OH : rot -119:sc= 1.07 USER MOD Single : A 4 ASN : amide:sc= 0.947 K(o=0.95,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= 1.3 (180deg=0.0783) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00986 USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= -0.0312 (180deg=-0.0616) USER MOD Single : A 18 CYS SG : rot 90:sc= -1.68 USER MOD Single : A 27 GLN : amide:sc= 1.74 K(o=1.7,f=-0.4) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00983 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 58 GLN : amide:sc= -2.19 K(o=-2.2,f=-6.6!) USER MOD Single : A 59 SER OG : rot -90:sc= 1.19 USER MOD Single : A 68 GLN : amide:sc= 0.936 K(o=0.94,f=-5.8!) USER MOD Single : A 69 MET CE :methyl 180:sc= -0.0619 (180deg=-0.0619) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 83 SER OG : rot 180:sc= -0.147 USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= 2.39 (180deg=0.521) USER MOD ----------------------------------------------------------------- ATOM 12 N THR A 2 14.524 -4.457 -1.527 1.00 0.00 N ATOM 13 CA THR A 2 13.944 -5.034 -2.730 1.00 0.00 C ATOM 14 C THR A 2 13.145 -6.306 -2.453 1.00 0.00 C ATOM 15 O THR A 2 13.532 -7.410 -2.834 1.00 0.00 O ATOM 16 CB THR A 2 15.058 -5.215 -3.768 1.00 0.00 C ATOM 17 OG1 THR A 2 15.903 -4.080 -3.712 1.00 0.00 O ATOM 18 CG2 THR A 2 14.486 -5.403 -5.179 1.00 0.00 C ATOM 0 HA THR A 2 13.201 -4.350 -3.139 1.00 0.00 H new ATOM 0 HB THR A 2 15.626 -6.116 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.377 -3.272 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.303 -5.528 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.849 -6.288 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.898 -4.527 -5.453 1.00 0.00 H new ATOM 26 N TYR A 3 12.003 -6.133 -1.790 1.00 0.00 N ATOM 27 CA TYR A 3 11.221 -7.229 -1.248 1.00 0.00 C ATOM 28 C TYR A 3 10.057 -7.615 -2.148 1.00 0.00 C ATOM 29 O TYR A 3 9.589 -6.821 -2.960 1.00 0.00 O ATOM 30 CB TYR A 3 10.690 -6.825 0.118 1.00 0.00 C ATOM 31 CG TYR A 3 11.778 -6.386 1.069 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.752 -7.300 1.512 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.836 -5.048 1.481 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.696 -6.903 2.474 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.749 -4.669 2.474 1.00 0.00 C ATOM 36 CZ TYR A 3 13.618 -5.619 3.031 1.00 0.00 C ATOM 37 OH TYR A 3 14.312 -5.315 4.160 1.00 0.00 O ATOM 0 H TYR A 3 11.595 -5.215 -1.615 1.00 0.00 H new ATOM 0 HA TYR A 3 11.874 -8.099 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.972 -6.014 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.151 -7.665 0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.774 -8.304 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.181 -4.313 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.477 -7.583 2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.784 -3.644 2.811 1.00 0.00 H new ATOM 0 HH TYR A 3 13.687 -5.052 4.868 1.00 0.00 H new ATOM 47 N ASN A 4 9.590 -8.850 -1.959 1.00 0.00 N ATOM 48 CA ASN A 4 8.490 -9.464 -2.677 1.00 0.00 C ATOM 49 C ASN A 4 7.173 -8.997 -2.067 1.00 0.00 C ATOM 50 O ASN A 4 6.614 -9.672 -1.203 1.00 0.00 O ATOM 51 CB ASN A 4 8.652 -10.976 -2.533 1.00 0.00 C ATOM 52 CG ASN A 4 7.674 -11.755 -3.393 1.00 0.00 C ATOM 53 OD1 ASN A 4 8.028 -12.252 -4.458 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.456 -11.868 -2.897 1.00 0.00 N ATOM 0 H ASN A 4 9.995 -9.475 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 4 8.489 -9.187 -3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.670 -11.255 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.512 -11.254 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.745 -12.393 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.226 -11.430 -2.005 1.00 0.00 H new ATOM 61 N VAL A 5 6.683 -7.839 -2.497 1.00 0.00 N ATOM 62 CA VAL A 5 5.429 -7.313 -1.978 1.00 0.00 C ATOM 63 C VAL A 5 4.278 -7.939 -2.750 1.00 0.00 C ATOM 64 O VAL A 5 4.265 -7.853 -3.979 1.00 0.00 O ATOM 65 CB VAL A 5 5.363 -5.787 -2.093 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.038 -5.273 -1.496 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.560 -5.143 -1.387 1.00 0.00 C ATOM 0 H VAL A 5 7.133 -7.251 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 5 5.360 -7.565 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 5 5.403 -5.510 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.998 -4.187 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.200 -5.711 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.978 -5.557 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.496 -4.059 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.552 -5.419 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.485 -5.493 -1.846 1.00 0.00 H new ATOM 77 N LYS A 6 3.294 -8.522 -2.053 1.00 0.00 N ATOM 78 CA LYS A 6 2.070 -8.935 -2.692 1.00 0.00 C ATOM 79 C LYS A 6 0.957 -7.919 -2.521 1.00 0.00 C ATOM 80 O LYS A 6 0.664 -7.501 -1.399 1.00 0.00 O ATOM 81 CB LYS A 6 1.642 -10.284 -2.165 1.00 0.00 C ATOM 82 CG LYS A 6 0.655 -10.823 -3.195 1.00 0.00 C ATOM 83 CD LYS A 6 -0.056 -12.057 -2.719 1.00 0.00 C ATOM 84 CE LYS A 6 0.834 -13.060 -1.995 1.00 0.00 C ATOM 85 NZ LYS A 6 0.380 -14.404 -2.391 1.00 0.00 N ATOM 0 H LYS A 6 3.335 -8.711 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 6 2.268 -9.010 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.496 -10.951 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.176 -10.193 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.079 -10.052 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.186 -11.048 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.865 -11.760 -2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.515 -12.550 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.880 -12.912 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.761 -12.931 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.605 -15.083 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.648 -14.390 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.862 -14.689 -3.267 1.00 0.00 H new ATOM 99 N LEU A 7 0.305 -7.605 -3.645 1.00 0.00 N ATOM 100 CA LEU A 7 -0.916 -6.833 -3.696 1.00 0.00 C ATOM 101 C LEU A 7 -2.046 -7.767 -4.088 1.00 0.00 C ATOM 102 O LEU A 7 -2.040 -8.256 -5.213 1.00 0.00 O ATOM 103 CB LEU A 7 -0.749 -5.651 -4.660 1.00 0.00 C ATOM 104 CG LEU A 7 0.501 -4.804 -4.374 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.598 -3.611 -5.326 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.559 -4.314 -2.931 1.00 0.00 C ATOM 0 H LEU A 7 0.632 -7.895 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.154 -6.400 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.697 -6.029 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.632 -5.015 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 7 1.354 -5.463 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.493 -3.034 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.652 -3.969 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.282 -2.979 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.462 -3.721 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.317 -3.700 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.573 -5.170 -2.256 1.00 0.00 H new ATOM 118 N ILE A 8 -2.969 -8.051 -3.161 1.00 0.00 N ATOM 119 CA ILE A 8 -4.149 -8.865 -3.395 1.00 0.00 C ATOM 120 C ILE A 8 -5.171 -7.961 -4.067 1.00 0.00 C ATOM 121 O ILE A 8 -5.992 -7.317 -3.415 1.00 0.00 O ATOM 122 CB ILE A 8 -4.633 -9.495 -2.074 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.587 -10.475 -1.518 1.00 0.00 C ATOM 124 CG2 ILE A 8 -5.979 -10.222 -2.242 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.692 -10.619 0.000 1.00 0.00 C ATOM 0 H ILE A 8 -2.906 -7.707 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.952 -9.713 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.773 -8.676 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.719 -11.451 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.588 -10.128 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.283 -10.651 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.736 -9.513 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.873 -11.017 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.935 -11.320 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.533 -9.648 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.682 -10.992 0.263 1.00 0.00 H new ATOM 137 N THR A 9 -5.066 -7.877 -5.390 1.00 0.00 N ATOM 138 CA THR A 9 -5.978 -7.114 -6.209 1.00 0.00 C ATOM 139 C THR A 9 -7.190 -7.983 -6.568 1.00 0.00 C ATOM 140 O THR A 9 -7.026 -9.203 -6.645 1.00 0.00 O ATOM 141 CB THR A 9 -5.259 -6.695 -7.484 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.803 -7.858 -8.151 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.986 -5.891 -7.226 1.00 0.00 C ATOM 0 H THR A 9 -4.333 -8.346 -5.922 1.00 0.00 H new ATOM 0 HA THR A 9 -6.316 -6.231 -5.666 1.00 0.00 H new ATOM 0 HB THR A 9 -5.976 -6.097 -8.046 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.339 -7.602 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.524 -5.625 -8.177 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.234 -4.983 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.290 -6.490 -6.640 1.00 0.00 H new ATOM 151 N PRO A 10 -8.362 -7.391 -6.865 1.00 0.00 N ATOM 152 CA PRO A 10 -9.598 -8.101 -7.165 1.00 0.00 C ATOM 153 C PRO A 10 -9.432 -9.103 -8.308 1.00 0.00 C ATOM 154 O PRO A 10 -10.018 -10.182 -8.296 1.00 0.00 O ATOM 155 CB PRO A 10 -10.628 -7.027 -7.505 1.00 0.00 C ATOM 156 CG PRO A 10 -10.113 -5.782 -6.808 1.00 0.00 C ATOM 157 CD PRO A 10 -8.611 -5.969 -6.786 1.00 0.00 C ATOM 0 HA PRO A 10 -9.914 -8.700 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.706 -6.877 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.621 -7.301 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.395 -4.877 -7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.519 -5.692 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.145 -5.449 -7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.184 -5.553 -5.874 1.00 0.00 H new ATOM 165 N ASP A 11 -8.602 -8.721 -9.279 1.00 0.00 N ATOM 166 CA ASP A 11 -8.144 -9.495 -10.422 1.00 0.00 C ATOM 167 C ASP A 11 -7.658 -10.873 -9.995 1.00 0.00 C ATOM 168 O ASP A 11 -7.868 -11.866 -10.689 1.00 0.00 O ATOM 169 CB ASP A 11 -6.979 -8.716 -11.037 1.00 0.00 C ATOM 170 CG ASP A 11 -7.468 -7.409 -11.636 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.713 -6.502 -10.808 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.623 -7.357 -12.874 1.00 0.00 O ATOM 0 H ASP A 11 -8.202 -7.783 -9.282 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.960 -9.640 -11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.227 -8.514 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.498 -9.318 -11.808 1.00 0.00 H new ATOM 177 N GLY A 12 -6.993 -10.898 -8.843 1.00 0.00 N ATOM 178 CA GLY A 12 -6.558 -12.084 -8.152 1.00 0.00 C ATOM 179 C GLY A 12 -5.047 -12.057 -7.948 1.00 0.00 C ATOM 180 O GLY A 12 -4.351 -12.936 -8.451 1.00 0.00 O ATOM 0 H GLY A 12 -6.736 -10.043 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.060 -12.155 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.838 -12.969 -8.723 1.00 0.00 H new ATOM 184 N GLU A 13 -4.573 -11.049 -7.200 1.00 0.00 N ATOM 185 CA GLU A 13 -3.188 -10.827 -6.797 1.00 0.00 C ATOM 186 C GLU A 13 -2.292 -10.461 -7.992 1.00 0.00 C ATOM 187 O GLU A 13 -2.629 -10.722 -9.145 1.00 0.00 O ATOM 188 CB GLU A 13 -2.634 -12.041 -6.034 1.00 0.00 C ATOM 189 CG GLU A 13 -3.243 -12.302 -4.646 1.00 0.00 C ATOM 190 CD GLU A 13 -3.017 -13.733 -4.129 1.00 0.00 C ATOM 191 OE1 GLU A 13 -3.784 -14.609 -4.575 1.00 0.00 O ATOM 192 OE2 GLU A 13 -2.108 -13.947 -3.286 1.00 0.00 O ATOM 0 H GLU A 13 -5.193 -10.323 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.181 -9.972 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.784 -12.930 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.558 -11.912 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.816 -11.596 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.314 -12.105 -4.686 1.00 0.00 H new ATOM 199 N VAL A 14 -1.134 -9.853 -7.706 1.00 0.00 N ATOM 200 CA VAL A 14 -0.094 -9.587 -8.705 1.00 0.00 C ATOM 201 C VAL A 14 1.277 -10.083 -8.235 1.00 0.00 C ATOM 202 O VAL A 14 1.830 -11.006 -8.826 1.00 0.00 O ATOM 203 CB VAL A 14 -0.110 -8.110 -9.149 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.286 -7.869 -10.096 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.280 -7.107 -8.004 1.00 0.00 C ATOM 0 H VAL A 14 -0.892 -9.530 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.318 -10.166 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 14 0.862 -7.948 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.294 -6.825 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.184 -8.508 -10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.219 -8.102 -9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.280 -6.094 -8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.224 -7.295 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.543 -7.218 -7.298 1.00 0.00 H new ATOM 215 N GLU A 15 1.794 -9.493 -7.154 1.00 0.00 N ATOM 216 CA GLU A 15 3.082 -9.806 -6.535 1.00 0.00 C ATOM 217 C GLU A 15 4.263 -9.248 -7.334 1.00 0.00 C ATOM 218 O GLU A 15 4.338 -9.430 -8.547 1.00 0.00 O ATOM 219 CB GLU A 15 3.198 -11.310 -6.224 1.00 0.00 C ATOM 220 CG GLU A 15 3.817 -11.581 -4.853 1.00 0.00 C ATOM 221 CD GLU A 15 3.571 -13.007 -4.358 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.426 -13.506 -4.488 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.530 -13.549 -3.773 1.00 0.00 O ATOM 0 H GLU A 15 1.300 -8.747 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 15 3.126 -9.292 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.208 -11.764 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.803 -11.791 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.891 -11.400 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.408 -10.876 -4.130 1.00 0.00 H new ATOM 230 N PHE A 16 5.157 -8.505 -6.669 1.00 0.00 N ATOM 231 CA PHE A 16 6.178 -7.714 -7.353 1.00 0.00 C ATOM 232 C PHE A 16 7.315 -7.279 -6.423 1.00 0.00 C ATOM 233 O PHE A 16 7.225 -7.466 -5.208 1.00 0.00 O ATOM 234 CB PHE A 16 5.521 -6.549 -8.082 1.00 0.00 C ATOM 235 CG PHE A 16 5.296 -5.350 -7.215 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.317 -5.371 -6.210 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.224 -4.304 -7.277 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.206 -4.286 -5.332 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.118 -3.233 -6.390 1.00 0.00 C ATOM 240 CZ PHE A 16 5.082 -3.194 -5.449 1.00 0.00 C ATOM 0 H PHE A 16 5.190 -8.438 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 16 6.662 -8.347 -8.097 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.145 -6.263 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.564 -6.878 -8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.654 -6.218 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.018 -4.326 -8.008 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.446 -4.289 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.839 -2.430 -6.429 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.957 -2.328 -4.816 1.00 0.00 H new ATOM 250 N LYS A 17 8.406 -6.748 -6.994 1.00 0.00 N ATOM 251 CA LYS A 17 9.586 -6.324 -6.252 1.00 0.00 C ATOM 252 C LYS A 17 9.572 -4.827 -5.957 1.00 0.00 C ATOM 253 O LYS A 17 9.578 -4.004 -6.871 1.00 0.00 O ATOM 254 CB LYS A 17 10.878 -6.759 -6.966 1.00 0.00 C ATOM 255 CG LYS A 17 11.701 -7.686 -6.059 1.00 0.00 C ATOM 256 CD LYS A 17 10.975 -9.007 -5.776 1.00 0.00 C ATOM 257 CE LYS A 17 11.448 -10.154 -6.676 1.00 0.00 C ATOM 258 NZ LYS A 17 11.204 -9.869 -8.106 1.00 0.00 N ATOM 0 H LYS A 17 8.487 -6.602 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 17 9.561 -6.829 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.633 -7.272 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.468 -5.882 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.662 -7.894 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.911 -7.179 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.129 -9.284 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.903 -8.863 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.513 -10.325 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.932 -11.072 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.475 -10.696 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.195 -9.664 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.770 -9.047 -8.398 1.00 0.00 H new ATOM 272 N CYS A 18 9.587 -4.489 -4.665 1.00 0.00 N ATOM 273 CA CYS A 18 9.559 -3.112 -4.188 1.00 0.00 C ATOM 274 C CYS A 18 10.719 -2.823 -3.237 1.00 0.00 C ATOM 275 O CYS A 18 10.956 -3.590 -2.300 1.00 0.00 O ATOM 276 CB CYS A 18 8.230 -2.844 -3.507 1.00 0.00 C ATOM 277 SG CYS A 18 8.033 -1.048 -3.432 1.00 0.00 S ATOM 0 H CYS A 18 9.619 -5.178 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 18 9.671 -2.446 -5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.411 -3.300 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.214 -3.277 -2.507 1.00 0.00 H new ATOM 0 HG CYS A 18 7.426 -0.633 -4.504 1.00 0.00 H new ATOM 283 N ASP A 19 11.460 -1.740 -3.489 1.00 0.00 N ATOM 284 CA ASP A 19 12.611 -1.344 -2.691 1.00 0.00 C ATOM 285 C ASP A 19 12.157 -0.650 -1.422 1.00 0.00 C ATOM 286 O ASP A 19 11.155 0.057 -1.410 1.00 0.00 O ATOM 287 CB ASP A 19 13.549 -0.429 -3.485 1.00 0.00 C ATOM 288 CG ASP A 19 13.915 -1.049 -4.818 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.541 -2.127 -4.765 1.00 0.00 O ATOM 290 OD2 ASP A 19 13.515 -0.469 -5.848 1.00 0.00 O ATOM 0 H ASP A 19 11.269 -1.108 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 19 13.162 -2.246 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.069 0.536 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.454 -0.241 -2.907 1.00 0.00 H new ATOM 295 N ASP A 20 12.931 -0.789 -0.353 1.00 0.00 N ATOM 296 CA ASP A 20 12.627 -0.097 0.897 1.00 0.00 C ATOM 297 C ASP A 20 12.740 1.424 0.753 1.00 0.00 C ATOM 298 O ASP A 20 12.168 2.163 1.548 1.00 0.00 O ATOM 299 CB ASP A 20 13.487 -0.629 2.051 1.00 0.00 C ATOM 300 CG ASP A 20 14.969 -0.690 1.772 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.281 -1.279 0.711 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.756 -0.642 2.731 1.00 0.00 O ATOM 0 H ASP A 20 13.769 -1.370 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 20 11.586 -0.310 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.324 0.001 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.141 -1.630 2.310 1.00 0.00 H new ATOM 307 N ASP A 21 13.447 1.884 -0.278 1.00 0.00 N ATOM 308 CA ASP A 21 13.644 3.293 -0.582 1.00 0.00 C ATOM 309 C ASP A 21 12.538 3.839 -1.489 1.00 0.00 C ATOM 310 O ASP A 21 12.574 5.024 -1.819 1.00 0.00 O ATOM 311 CB ASP A 21 15.001 3.480 -1.277 1.00 0.00 C ATOM 312 CG ASP A 21 16.181 3.098 -0.398 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.524 3.916 0.484 1.00 0.00 O ATOM 314 OD2 ASP A 21 16.735 2.006 -0.645 1.00 0.00 O ATOM 0 H ASP A 21 13.911 1.265 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 21 13.615 3.844 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.023 2.878 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.105 4.521 -1.582 1.00 0.00 H new ATOM 319 N VAL A 22 11.590 3.009 -1.948 1.00 0.00 N ATOM 320 CA VAL A 22 10.635 3.408 -2.977 1.00 0.00 C ATOM 321 C VAL A 22 9.218 2.985 -2.591 1.00 0.00 C ATOM 322 O VAL A 22 9.029 2.042 -1.825 1.00 0.00 O ATOM 323 CB VAL A 22 11.094 2.838 -4.330 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.652 1.391 -4.532 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.551 3.666 -5.489 1.00 0.00 C ATOM 0 H VAL A 22 11.469 2.052 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 22 10.605 4.494 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 22 12.183 2.877 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.001 1.036 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.075 0.768 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.564 1.334 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.892 3.239 -6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.461 3.660 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.911 4.691 -5.404 1.00 0.00 H new ATOM 335 N TYR A 23 8.211 3.703 -3.090 1.00 0.00 N ATOM 336 CA TYR A 23 6.843 3.444 -2.694 1.00 0.00 C ATOM 337 C TYR A 23 6.274 2.205 -3.380 1.00 0.00 C ATOM 338 O TYR A 23 6.687 1.841 -4.486 1.00 0.00 O ATOM 339 CB TYR A 23 5.960 4.659 -2.970 1.00 0.00 C ATOM 340 CG TYR A 23 6.394 5.952 -2.303 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.671 5.985 -0.922 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.372 7.153 -3.036 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.864 7.216 -0.273 1.00 0.00 C ATOM 344 CE2 TYR A 23 6.612 8.380 -2.393 1.00 0.00 C ATOM 345 CZ TYR A 23 6.848 8.410 -1.009 1.00 0.00 C ATOM 346 OH TYR A 23 7.008 9.601 -0.367 1.00 0.00 O ATOM 0 H TYR A 23 8.324 4.461 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 23 6.850 3.251 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.923 4.822 -4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.945 4.428 -2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.735 5.064 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.170 7.132 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.025 7.243 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.615 9.298 -2.962 1.00 0.00 H new ATOM 0 HH TYR A 23 6.973 10.332 -1.019 1.00 0.00 H new ATOM 356 N VAL A 24 5.258 1.599 -2.757 1.00 0.00 N ATOM 357 CA VAL A 24 4.539 0.446 -3.298 1.00 0.00 C ATOM 358 C VAL A 24 3.574 0.857 -4.419 1.00 0.00 C ATOM 359 O VAL A 24 2.406 0.473 -4.428 1.00 0.00 O ATOM 360 CB VAL A 24 3.771 -0.286 -2.187 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.506 -1.735 -2.592 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.529 -0.344 -0.865 1.00 0.00 C ATOM 0 H VAL A 24 4.908 1.902 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 24 5.282 -0.230 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 24 2.852 0.283 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.961 -2.242 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.913 -1.755 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.454 -2.244 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.930 -0.874 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.474 -0.868 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.726 0.669 -0.514 1.00 0.00 H new ATOM 372 N LEU A 25 4.065 1.631 -5.378 1.00 0.00 N ATOM 373 CA LEU A 25 3.323 2.023 -6.560 1.00 0.00 C ATOM 374 C LEU A 25 4.341 2.295 -7.653 1.00 0.00 C ATOM 375 O LEU A 25 4.277 1.687 -8.713 1.00 0.00 O ATOM 376 CB LEU A 25 2.407 3.216 -6.251 1.00 0.00 C ATOM 377 CG LEU A 25 1.395 3.478 -7.380 1.00 0.00 C ATOM 378 CD1 LEU A 25 0.107 4.047 -6.778 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.953 4.449 -8.428 1.00 0.00 C ATOM 0 H LEU A 25 5.012 2.010 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 25 2.650 1.236 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.871 3.029 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.014 4.108 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 25 1.191 2.533 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.614 4.235 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.311 3.331 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.328 4.981 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.209 4.609 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.190 5.401 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.857 4.029 -8.869 1.00 0.00 H new ATOM 391 N ASP A 26 5.345 3.120 -7.349 1.00 0.00 N ATOM 392 CA ASP A 26 6.447 3.430 -8.253 1.00 0.00 C ATOM 393 C ASP A 26 7.042 2.150 -8.850 1.00 0.00 C ATOM 394 O ASP A 26 7.007 1.930 -10.059 1.00 0.00 O ATOM 395 CB ASP A 26 7.506 4.202 -7.461 1.00 0.00 C ATOM 396 CG ASP A 26 7.121 5.656 -7.244 1.00 0.00 C ATOM 397 OD1 ASP A 26 6.291 5.879 -6.336 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.672 6.511 -7.969 1.00 0.00 O ATOM 0 H ASP A 26 5.413 3.598 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 26 6.086 4.035 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.656 3.720 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.457 4.156 -7.991 1.00 0.00 H new ATOM 403 N GLN A 27 7.552 1.273 -7.980 1.00 0.00 N ATOM 404 CA GLN A 27 8.115 -0.011 -8.396 1.00 0.00 C ATOM 405 C GLN A 27 7.049 -1.016 -8.846 1.00 0.00 C ATOM 406 O GLN A 27 7.387 -2.117 -9.260 1.00 0.00 O ATOM 407 CB GLN A 27 8.956 -0.608 -7.257 1.00 0.00 C ATOM 408 CG GLN A 27 10.457 -0.395 -7.456 1.00 0.00 C ATOM 409 CD GLN A 27 10.985 -1.037 -8.734 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.598 -0.357 -9.551 1.00 0.00 O ATOM 411 NE2 GLN A 27 10.709 -2.321 -8.939 1.00 0.00 N ATOM 0 H GLN A 27 7.585 1.434 -6.973 1.00 0.00 H new ATOM 0 HA GLN A 27 8.746 0.186 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.652 -0.158 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.752 -1.676 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.667 0.674 -7.480 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.993 -0.806 -6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.197 -2.851 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.009 -2.776 -9.801 1.00 0.00 H new ATOM 420 N ALA A 28 5.766 -0.686 -8.722 1.00 0.00 N ATOM 421 CA ALA A 28 4.670 -1.553 -9.129 1.00 0.00 C ATOM 422 C ALA A 28 4.318 -1.283 -10.593 1.00 0.00 C ATOM 423 O ALA A 28 4.217 -2.208 -11.404 1.00 0.00 O ATOM 424 CB ALA A 28 3.488 -1.297 -8.197 1.00 0.00 C ATOM 0 H ALA A 28 5.457 0.204 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 28 4.951 -2.604 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.653 -1.937 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.779 -1.519 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.186 -0.252 -8.271 1.00 0.00 H new ATOM 430 N GLU A 29 4.149 -0.004 -10.938 1.00 0.00 N ATOM 431 CA GLU A 29 3.856 0.432 -12.289 1.00 0.00 C ATOM 432 C GLU A 29 4.890 -0.122 -13.267 1.00 0.00 C ATOM 433 O GLU A 29 4.522 -0.537 -14.363 1.00 0.00 O ATOM 434 CB GLU A 29 3.794 1.962 -12.355 1.00 0.00 C ATOM 435 CG GLU A 29 2.522 2.506 -11.686 1.00 0.00 C ATOM 436 CD GLU A 29 2.375 4.012 -11.878 1.00 0.00 C ATOM 437 OE1 GLU A 29 3.405 4.708 -11.757 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.235 4.447 -12.150 1.00 0.00 O ATOM 0 H GLU A 29 4.215 0.763 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 29 2.880 0.042 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.672 2.384 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.824 2.283 -13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.650 2.001 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.546 2.277 -10.621 1.00 0.00 H new ATOM 445 N GLU A 30 6.169 -0.169 -12.871 1.00 0.00 N ATOM 446 CA GLU A 30 7.202 -0.747 -13.722 1.00 0.00 C ATOM 447 C GLU A 30 6.915 -2.206 -14.089 1.00 0.00 C ATOM 448 O GLU A 30 7.129 -2.608 -15.233 1.00 0.00 O ATOM 449 CB GLU A 30 8.610 -0.441 -13.186 1.00 0.00 C ATOM 450 CG GLU A 30 9.048 -1.320 -12.010 1.00 0.00 C ATOM 451 CD GLU A 30 9.964 -2.475 -12.417 1.00 0.00 C ATOM 452 OE1 GLU A 30 9.890 -2.882 -13.596 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.748 -2.917 -11.548 1.00 0.00 O ATOM 0 H GLU A 30 6.505 0.184 -11.975 1.00 0.00 H new ATOM 0 HA GLU A 30 7.174 -0.248 -14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.327 -0.559 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.648 0.603 -12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.563 -0.700 -11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.162 -1.725 -11.520 1.00 0.00 H new ATOM 460 N GLU A 31 6.327 -2.971 -13.163 1.00 0.00 N ATOM 461 CA GLU A 31 5.981 -4.364 -13.423 1.00 0.00 C ATOM 462 C GLU A 31 4.680 -4.423 -14.222 1.00 0.00 C ATOM 463 O GLU A 31 4.417 -5.382 -14.946 1.00 0.00 O ATOM 464 CB GLU A 31 5.869 -5.128 -12.098 1.00 0.00 C ATOM 465 CG GLU A 31 7.102 -4.847 -11.223 1.00 0.00 C ATOM 466 CD GLU A 31 7.905 -6.099 -10.832 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.012 -7.010 -11.681 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.360 -6.174 -9.664 1.00 0.00 O ATOM 0 H GLU A 31 6.083 -2.645 -12.228 1.00 0.00 H new ATOM 0 HA GLU A 31 6.763 -4.840 -14.014 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.963 -4.828 -11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.786 -6.198 -12.291 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.760 -4.160 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.779 -4.340 -10.314 1.00 0.00 H new ATOM 475 N GLY A 32 3.866 -3.377 -14.070 1.00 0.00 N ATOM 476 CA GLY A 32 2.621 -3.157 -14.787 1.00 0.00 C ATOM 477 C GLY A 32 1.443 -3.054 -13.828 1.00 0.00 C ATOM 478 O GLY A 32 0.296 -3.102 -14.264 1.00 0.00 O ATOM 0 H GLY A 32 4.072 -2.627 -13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.694 -2.243 -15.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.452 -3.975 -15.487 1.00 0.00 H new ATOM 482 N ILE A 33 1.699 -2.932 -12.520 1.00 0.00 N ATOM 483 CA ILE A 33 0.608 -2.866 -11.558 1.00 0.00 C ATOM 484 C ILE A 33 -0.057 -1.493 -11.595 1.00 0.00 C ATOM 485 O ILE A 33 0.577 -0.485 -11.295 1.00 0.00 O ATOM 486 CB ILE A 33 1.121 -3.190 -10.152 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.755 -4.587 -10.165 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.012 -3.092 -9.117 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.276 -5.050 -8.809 1.00 0.00 C ATOM 0 H ILE A 33 2.634 -2.878 -12.116 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.142 -3.609 -11.828 1.00 0.00 H new ATOM 0 HB ILE A 33 1.877 -2.461 -9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.017 -5.305 -10.523 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.578 -4.593 -10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.378 -3.327 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.418 -2.080 -9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.801 -3.799 -9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.708 -6.046 -8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.039 -4.356 -8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.454 -5.079 -8.094 1.00 0.00 H new ATOM 501 N ASP A 34 -1.360 -1.484 -11.879 1.00 0.00 N ATOM 502 CA ASP A 34 -2.235 -0.337 -11.698 1.00 0.00 C ATOM 503 C ASP A 34 -2.937 -0.496 -10.348 1.00 0.00 C ATOM 504 O ASP A 34 -3.715 -1.434 -10.169 1.00 0.00 O ATOM 505 CB ASP A 34 -3.248 -0.301 -12.850 1.00 0.00 C ATOM 506 CG ASP A 34 -4.147 0.932 -12.820 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.412 1.441 -11.708 1.00 0.00 O ATOM 508 OD2 ASP A 34 -4.574 1.340 -13.921 1.00 0.00 O ATOM 0 H ASP A 34 -1.845 -2.301 -12.252 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.678 0.600 -11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.711 -0.329 -13.798 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.868 -1.196 -12.808 1.00 0.00 H new ATOM 513 N ILE A 35 -2.648 0.382 -9.385 1.00 0.00 N ATOM 514 CA ILE A 35 -3.452 0.570 -8.207 1.00 0.00 C ATOM 515 C ILE A 35 -4.139 1.923 -8.436 1.00 0.00 C ATOM 516 O ILE A 35 -3.478 2.873 -8.857 1.00 0.00 O ATOM 517 CB ILE A 35 -2.544 0.659 -6.979 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.457 -0.426 -6.910 1.00 0.00 C ATOM 519 CG2 ILE A 35 -3.362 0.759 -5.704 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.505 -0.238 -5.723 1.00 0.00 C ATOM 0 H ILE A 35 -1.828 0.988 -9.417 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.160 -0.242 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.980 1.585 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.931 -1.405 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.882 -0.417 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.692 0.821 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.987 1.651 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.995 -0.123 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.241 -1.033 -5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.006 0.728 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.072 -0.275 -4.793 1.00 0.00 H new ATOM 682 N ALA A 48 -5.974 3.284 -0.180 1.00 0.00 N ATOM 683 CA ALA A 48 -5.536 2.417 0.917 1.00 0.00 C ATOM 684 C ALA A 48 -5.391 0.970 0.471 1.00 0.00 C ATOM 685 O ALA A 48 -5.847 0.581 -0.607 1.00 0.00 O ATOM 686 CB ALA A 48 -6.421 2.494 2.172 1.00 0.00 C ATOM 0 HA ALA A 48 -4.558 2.806 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.028 1.823 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.424 3.515 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.439 2.199 1.918 1.00 0.00 H new ATOM 692 N GLY A 49 -4.802 0.165 1.357 1.00 0.00 N ATOM 693 CA GLY A 49 -4.812 -1.276 1.295 1.00 0.00 C ATOM 694 C GLY A 49 -4.875 -1.884 2.692 1.00 0.00 C ATOM 695 O GLY A 49 -4.645 -1.179 3.668 1.00 0.00 O ATOM 0 H GLY A 49 -4.289 0.524 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.668 -1.612 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.917 -1.627 0.782 1.00 0.00 H new ATOM 699 N LYS A 50 -5.192 -3.179 2.794 1.00 0.00 N ATOM 700 CA LYS A 50 -5.286 -3.943 4.023 1.00 0.00 C ATOM 701 C LYS A 50 -4.033 -4.799 4.213 1.00 0.00 C ATOM 702 O LYS A 50 -3.824 -5.736 3.451 1.00 0.00 O ATOM 703 CB LYS A 50 -6.556 -4.799 3.946 1.00 0.00 C ATOM 704 CG LYS A 50 -7.199 -5.004 5.321 1.00 0.00 C ATOM 705 CD LYS A 50 -8.711 -5.160 5.145 1.00 0.00 C ATOM 706 CE LYS A 50 -9.418 -4.952 6.494 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.880 -4.768 6.327 1.00 0.00 N ATOM 0 H LYS A 50 -5.400 -3.745 1.971 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.349 -3.282 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.274 -4.322 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.313 -5.769 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.783 -5.888 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.981 -4.155 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.078 -4.437 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.940 -6.151 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.231 -5.811 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.997 -4.080 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.386 -5.406 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.133 -3.783 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.147 -4.986 5.346 1.00 0.00 H new ATOM 721 N VAL A 51 -3.191 -4.486 5.198 1.00 0.00 N ATOM 722 CA VAL A 51 -2.041 -5.295 5.574 1.00 0.00 C ATOM 723 C VAL A 51 -2.516 -6.699 5.969 1.00 0.00 C ATOM 724 O VAL A 51 -3.240 -6.848 6.951 1.00 0.00 O ATOM 725 CB VAL A 51 -1.299 -4.614 6.752 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.154 -5.474 7.299 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.736 -3.234 6.376 1.00 0.00 C ATOM 0 H VAL A 51 -3.295 -3.645 5.766 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.353 -5.384 4.733 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.057 -4.491 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.333 -4.951 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.551 -6.424 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.572 -5.659 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.226 -2.802 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.030 -3.341 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.552 -2.579 6.071 1.00 0.00 H new ATOM 737 N VAL A 52 -2.094 -7.724 5.222 1.00 0.00 N ATOM 738 CA VAL A 52 -2.368 -9.119 5.551 1.00 0.00 C ATOM 739 C VAL A 52 -1.214 -9.697 6.371 1.00 0.00 C ATOM 740 O VAL A 52 -1.448 -10.370 7.372 1.00 0.00 O ATOM 741 CB VAL A 52 -2.608 -9.917 4.261 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.763 -11.422 4.520 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.863 -9.398 3.554 1.00 0.00 C ATOM 0 H VAL A 52 -1.550 -7.604 4.368 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.271 -9.186 6.159 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.729 -9.777 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.931 -11.938 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.856 -11.806 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.612 -11.592 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.028 -9.968 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.724 -9.511 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.732 -8.345 3.306 1.00 0.00 H new ATOM 753 N SER A 53 0.033 -9.475 5.943 1.00 0.00 N ATOM 754 CA SER A 53 1.208 -9.976 6.650 1.00 0.00 C ATOM 755 C SER A 53 2.421 -9.145 6.258 1.00 0.00 C ATOM 756 O SER A 53 2.332 -8.355 5.326 1.00 0.00 O ATOM 757 CB SER A 53 1.436 -11.456 6.328 1.00 0.00 C ATOM 758 OG SER A 53 2.468 -11.974 7.148 1.00 0.00 O ATOM 0 H SER A 53 0.252 -8.945 5.100 1.00 0.00 H new ATOM 0 HA SER A 53 1.049 -9.889 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.516 -12.018 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.702 -11.572 5.277 1.00 0.00 H new ATOM 0 HG SER A 53 2.608 -12.921 6.939 1.00 0.00 H new ATOM 764 N GLY A 54 3.541 -9.343 6.953 1.00 0.00 N ATOM 765 CA GLY A 54 4.711 -8.475 6.878 1.00 0.00 C ATOM 766 C GLY A 54 4.431 -7.132 7.558 1.00 0.00 C ATOM 767 O GLY A 54 3.483 -7.007 8.333 1.00 0.00 O ATOM 0 H GLY A 54 3.660 -10.126 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.562 -8.960 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.982 -8.311 5.835 1.00 0.00 H new ATOM 771 N SER A 55 5.235 -6.111 7.251 1.00 0.00 N ATOM 772 CA SER A 55 4.955 -4.731 7.612 1.00 0.00 C ATOM 773 C SER A 55 5.690 -3.810 6.647 1.00 0.00 C ATOM 774 O SER A 55 6.539 -4.267 5.879 1.00 0.00 O ATOM 775 CB SER A 55 5.371 -4.442 9.055 1.00 0.00 C ATOM 776 OG SER A 55 4.878 -3.182 9.470 1.00 0.00 O ATOM 0 H SER A 55 6.109 -6.228 6.738 1.00 0.00 H new ATOM 0 HA SER A 55 3.882 -4.555 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.990 -5.223 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.458 -4.459 9.137 1.00 0.00 H new ATOM 0 HG SER A 55 5.151 -3.013 10.396 1.00 0.00 H new ATOM 782 N ILE A 56 5.333 -2.528 6.718 1.00 0.00 N ATOM 783 CA ILE A 56 5.827 -1.427 5.915 1.00 0.00 C ATOM 784 C ILE A 56 5.827 -0.168 6.787 1.00 0.00 C ATOM 785 O ILE A 56 5.120 -0.131 7.795 1.00 0.00 O ATOM 786 CB ILE A 56 4.927 -1.224 4.686 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.463 -0.921 5.028 1.00 0.00 C ATOM 788 CG2 ILE A 56 4.970 -2.408 3.717 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.659 -0.729 3.735 1.00 0.00 C ATOM 0 H ILE A 56 4.636 -2.216 7.394 1.00 0.00 H new ATOM 0 HA ILE A 56 6.836 -1.639 5.562 1.00 0.00 H new ATOM 0 HB ILE A 56 5.351 -0.344 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.040 -1.737 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.401 -0.023 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.315 -2.208 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.991 -2.551 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.635 -3.310 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.619 -0.514 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.077 0.102 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.709 -1.639 3.137 1.00 0.00 H new ATOM 801 N ASP A 57 6.569 0.866 6.378 1.00 0.00 N ATOM 802 CA ASP A 57 6.557 2.182 7.000 1.00 0.00 C ATOM 803 C ASP A 57 5.782 3.118 6.083 1.00 0.00 C ATOM 804 O ASP A 57 6.215 3.373 4.961 1.00 0.00 O ATOM 805 CB ASP A 57 7.990 2.689 7.205 1.00 0.00 C ATOM 806 CG ASP A 57 8.033 4.102 7.790 1.00 0.00 C ATOM 807 OD1 ASP A 57 6.956 4.714 7.987 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.162 4.552 8.067 1.00 0.00 O ATOM 0 H ASP A 57 7.208 0.803 5.586 1.00 0.00 H new ATOM 0 HA ASP A 57 6.083 2.137 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.521 2.008 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.516 2.678 6.250 1.00 0.00 H new ATOM 813 N GLN A 58 4.625 3.589 6.546 1.00 0.00 N ATOM 814 CA GLN A 58 3.812 4.579 5.861 1.00 0.00 C ATOM 815 C GLN A 58 3.688 5.877 6.675 1.00 0.00 C ATOM 816 O GLN A 58 2.681 6.579 6.583 1.00 0.00 O ATOM 817 CB GLN A 58 2.463 3.925 5.570 1.00 0.00 C ATOM 818 CG GLN A 58 1.920 3.257 6.831 1.00 0.00 C ATOM 819 CD GLN A 58 0.450 2.926 6.700 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.154 3.094 5.651 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.119 2.390 7.769 1.00 0.00 N ATOM 0 H GLN A 58 4.221 3.281 7.431 1.00 0.00 H new ATOM 0 HA GLN A 58 4.279 4.885 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.756 4.674 5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.572 3.186 4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.482 2.345 7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.070 3.917 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.420 2.267 8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.096 2.100 7.735 1.00 0.00 H new ATOM 830 N SER A 59 4.686 6.198 7.506 1.00 0.00 N ATOM 831 CA SER A 59 4.595 7.324 8.431 1.00 0.00 C ATOM 832 C SER A 59 4.317 8.664 7.728 1.00 0.00 C ATOM 833 O SER A 59 3.608 9.505 8.282 1.00 0.00 O ATOM 834 CB SER A 59 5.834 7.366 9.332 1.00 0.00 C ATOM 835 OG SER A 59 7.023 7.303 8.576 1.00 0.00 O ATOM 0 H SER A 59 5.568 5.689 7.554 1.00 0.00 H new ATOM 0 HA SER A 59 3.723 7.163 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.825 8.282 9.923 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.803 6.533 10.034 1.00 0.00 H new ATOM 0 HG SER A 59 7.285 6.366 8.455 1.00 0.00 H new ATOM 901 N LEU A 64 -4.101 7.917 7.768 1.00 0.00 N ATOM 902 CA LEU A 64 -4.751 6.783 8.429 1.00 0.00 C ATOM 903 C LEU A 64 -4.701 6.909 9.945 1.00 0.00 C ATOM 904 O LEU A 64 -3.672 7.287 10.507 1.00 0.00 O ATOM 905 CB LEU A 64 -4.186 5.409 8.039 1.00 0.00 C ATOM 906 CG LEU A 64 -4.824 4.833 6.771 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.282 5.541 5.538 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.504 3.342 6.715 1.00 0.00 C ATOM 0 HA LEU A 64 -5.781 6.829 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.110 5.495 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.339 4.713 8.864 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.904 4.982 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.744 5.121 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.511 6.605 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.202 5.405 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.948 2.908 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.423 3.203 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.912 2.849 7.598 1.00 0.00 H new ATOM 920 N ASP A 65 -5.809 6.553 10.591 1.00 0.00 N ATOM 921 CA ASP A 65 -5.923 6.604 12.036 1.00 0.00 C ATOM 922 C ASP A 65 -5.265 5.376 12.656 1.00 0.00 C ATOM 923 O ASP A 65 -5.031 4.367 11.982 1.00 0.00 O ATOM 924 CB ASP A 65 -7.392 6.697 12.458 1.00 0.00 C ATOM 925 CG ASP A 65 -8.116 7.863 11.802 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.098 8.957 12.404 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.670 7.630 10.706 1.00 0.00 O ATOM 0 H ASP A 65 -6.651 6.221 10.121 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.409 7.496 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.900 5.768 12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.449 6.802 13.541 1.00 0.00 H new ATOM 932 N ASP A 66 -5.024 5.451 13.967 1.00 0.00 N ATOM 933 CA ASP A 66 -4.539 4.337 14.768 1.00 0.00 C ATOM 934 C ASP A 66 -5.460 3.148 14.542 1.00 0.00 C ATOM 935 O ASP A 66 -4.996 2.033 14.329 1.00 0.00 O ATOM 936 CB ASP A 66 -4.522 4.714 16.255 1.00 0.00 C ATOM 937 CG ASP A 66 -3.365 5.640 16.597 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.500 6.843 16.287 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.373 5.131 17.159 1.00 0.00 O ATOM 0 H ASP A 66 -5.165 6.305 14.506 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.521 4.085 14.471 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.463 5.198 16.517 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.451 3.808 16.857 1.00 0.00 H new ATOM 944 N GLU A 67 -6.771 3.417 14.558 1.00 0.00 N ATOM 945 CA GLU A 67 -7.801 2.421 14.361 1.00 0.00 C ATOM 946 C GLU A 67 -7.527 1.652 13.079 1.00 0.00 C ATOM 947 O GLU A 67 -7.319 0.449 13.112 1.00 0.00 O ATOM 948 CB GLU A 67 -9.195 3.068 14.313 1.00 0.00 C ATOM 949 CG GLU A 67 -9.313 4.369 15.103 1.00 0.00 C ATOM 950 CD GLU A 67 -10.772 4.668 15.424 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.441 5.249 14.543 1.00 0.00 O ATOM 952 OE2 GLU A 67 -11.202 4.272 16.529 1.00 0.00 O ATOM 0 H GLU A 67 -7.140 4.355 14.712 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.785 1.731 15.205 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.456 3.264 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.926 2.356 14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.739 4.294 16.027 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.885 5.190 14.528 1.00 0.00 H new ATOM 959 N GLN A 68 -7.525 2.352 11.944 1.00 0.00 N ATOM 960 CA GLN A 68 -7.282 1.761 10.645 1.00 0.00 C ATOM 961 C GLN A 68 -5.979 0.957 10.631 1.00 0.00 C ATOM 962 O GLN A 68 -5.979 -0.207 10.231 1.00 0.00 O ATOM 963 CB GLN A 68 -7.294 2.861 9.590 1.00 0.00 C ATOM 964 CG GLN A 68 -8.681 3.499 9.522 1.00 0.00 C ATOM 965 CD GLN A 68 -8.667 4.788 8.735 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.640 5.444 8.611 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.809 5.141 8.176 1.00 0.00 N ATOM 0 H GLN A 68 -7.695 3.357 11.910 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.076 1.050 10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.547 3.617 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.026 2.448 8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.380 2.800 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.042 3.694 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.640 4.564 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.861 5.991 7.614 1.00 0.00 H new ATOM 976 N MET A 69 -4.861 1.549 11.060 1.00 0.00 N ATOM 977 CA MET A 69 -3.607 0.814 11.107 1.00 0.00 C ATOM 978 C MET A 69 -3.744 -0.489 11.904 1.00 0.00 C ATOM 979 O MET A 69 -3.523 -1.569 11.355 1.00 0.00 O ATOM 980 CB MET A 69 -2.494 1.702 11.658 1.00 0.00 C ATOM 981 CG MET A 69 -2.203 2.876 10.729 1.00 0.00 C ATOM 982 SD MET A 69 -0.693 3.780 11.150 1.00 0.00 S ATOM 983 CE MET A 69 -1.323 5.462 11.065 1.00 0.00 C ATOM 0 H MET A 69 -4.804 2.518 11.373 1.00 0.00 H new ATOM 0 HA MET A 69 -3.340 0.529 10.089 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.779 2.077 12.641 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.588 1.110 11.793 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.122 2.507 9.706 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.047 3.565 10.753 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.522 6.163 11.298 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.697 5.660 10.061 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.133 5.584 11.785 1.00 0.00 H new ATOM 993 N ASP A 70 -4.147 -0.391 13.175 1.00 0.00 N ATOM 994 CA ASP A 70 -4.318 -1.525 14.082 1.00 0.00 C ATOM 995 C ASP A 70 -5.238 -2.576 13.460 1.00 0.00 C ATOM 996 O ASP A 70 -4.962 -3.774 13.469 1.00 0.00 O ATOM 997 CB ASP A 70 -4.920 -1.022 15.400 1.00 0.00 C ATOM 998 CG ASP A 70 -5.069 -2.164 16.395 1.00 0.00 C ATOM 999 OD1 ASP A 70 -4.045 -2.498 17.029 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -6.200 -2.682 16.497 1.00 0.00 O ATOM 0 H ASP A 70 -4.369 0.504 13.611 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.348 -1.985 14.268 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.283 -0.245 15.823 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.893 -0.568 15.211 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.323 -2.082 12.864 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.361 -2.862 12.213 1.00 0.00 C ATOM 1007 C ALA A 71 -6.826 -3.636 11.009 1.00 0.00 C ATOM 1008 O ALA A 71 -7.462 -4.593 10.567 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.480 -1.916 11.781 1.00 0.00 C ATOM 0 H ALA A 71 -6.505 -1.079 12.823 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.739 -3.600 12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.269 -2.486 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.888 -1.412 12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.082 -1.175 11.088 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.680 -3.222 10.462 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.969 -3.940 9.431 1.00 0.00 C ATOM 1017 C GLY A 72 -4.914 -3.136 8.145 1.00 0.00 C ATOM 1018 O GLY A 72 -4.871 -3.748 7.090 1.00 0.00 O ATOM 0 H GLY A 72 -5.219 -2.355 10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.957 -4.161 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.459 -4.896 9.245 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.934 -1.799 8.189 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.925 -0.967 6.989 1.00 0.00 C ATOM 1024 C TYR A 73 -3.629 -0.189 6.785 1.00 0.00 C ATOM 1025 O TYR A 73 -2.808 -0.050 7.689 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.134 -0.049 6.978 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.426 -0.816 6.838 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.781 -1.332 5.579 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.357 -0.835 7.887 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.103 -1.733 5.339 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.679 -1.233 7.643 1.00 0.00 C ATOM 1032 CZ TYR A 73 -10.070 -1.606 6.349 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.315 -2.120 6.151 1.00 0.00 O ATOM 0 H TYR A 73 -4.957 -1.267 9.059 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.984 -1.647 6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.156 0.532 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.043 0.660 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.038 -1.419 4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.056 -0.543 8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.378 -2.140 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.396 -1.252 8.451 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.948 -1.390 5.989 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.451 0.298 5.556 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.223 0.867 5.043 1.00 0.00 C ATOM 1045 C VAL A 74 -2.555 1.770 3.851 1.00 0.00 C ATOM 1046 O VAL A 74 -3.675 1.720 3.348 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.256 -0.287 4.699 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -0.803 -0.373 3.235 1.00 0.00 C ATOM 1049 CG2 VAL A 74 -0.042 -0.241 5.630 1.00 0.00 C ATOM 0 H VAL A 74 -4.201 0.302 4.865 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.722 1.495 5.780 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.838 -1.195 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.128 -1.220 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.673 -0.507 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.286 0.546 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.637 -1.057 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.475 0.711 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.372 -0.344 6.664 1.00 0.00 H new ATOM 1119 N ALA A 79 4.154 4.576 1.092 1.00 0.00 N ATOM 1120 CA ALA A 79 4.476 3.479 1.986 1.00 0.00 C ATOM 1121 C ALA A 79 5.699 2.750 1.455 1.00 0.00 C ATOM 1122 O ALA A 79 5.764 2.471 0.261 1.00 0.00 O ATOM 1123 CB ALA A 79 3.284 2.533 2.102 1.00 0.00 C ATOM 0 HA ALA A 79 4.698 3.864 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.535 1.713 2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.425 3.076 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.040 2.133 1.118 1.00 0.00 H new ATOM 1129 N TYR A 80 6.652 2.460 2.338 1.00 0.00 N ATOM 1130 CA TYR A 80 7.922 1.826 2.039 1.00 0.00 C ATOM 1131 C TYR A 80 7.923 0.402 2.597 1.00 0.00 C ATOM 1132 O TYR A 80 7.701 0.220 3.797 1.00 0.00 O ATOM 1133 CB TYR A 80 9.021 2.630 2.725 1.00 0.00 C ATOM 1134 CG TYR A 80 9.238 4.015 2.149 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.709 4.159 0.832 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.970 5.160 2.924 1.00 0.00 C ATOM 1137 CE1 TYR A 80 9.913 5.439 0.291 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.210 6.439 2.394 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.697 6.578 1.083 1.00 0.00 C ATOM 1140 OH TYR A 80 9.883 7.819 0.550 1.00 0.00 O ATOM 0 H TYR A 80 6.548 2.674 3.330 1.00 0.00 H new ATOM 0 HA TYR A 80 8.085 1.791 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.778 2.724 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.956 2.073 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.914 3.283 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.580 5.055 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.236 5.547 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.020 7.316 2.995 1.00 0.00 H new ATOM 0 HH TYR A 80 9.066 8.103 0.090 1.00 0.00 H new ATOM 1150 N PRO A 81 8.165 -0.610 1.752 1.00 0.00 N ATOM 1151 CA PRO A 81 8.212 -1.996 2.168 1.00 0.00 C ATOM 1152 C PRO A 81 9.480 -2.287 2.961 1.00 0.00 C ATOM 1153 O PRO A 81 10.577 -2.235 2.417 1.00 0.00 O ATOM 1154 CB PRO A 81 8.113 -2.833 0.894 1.00 0.00 C ATOM 1155 CG PRO A 81 8.432 -1.873 -0.249 1.00 0.00 C ATOM 1156 CD PRO A 81 8.360 -0.469 0.322 1.00 0.00 C ATOM 0 HA PRO A 81 7.390 -2.240 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.816 -3.665 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.117 -3.260 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.423 -2.074 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.720 -1.995 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.276 0.083 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.539 0.090 -0.127 1.00 0.00 H new ATOM 1164 N THR A 82 9.339 -2.622 4.245 1.00 0.00 N ATOM 1165 CA THR A 82 10.467 -2.881 5.122 1.00 0.00 C ATOM 1166 C THR A 82 10.882 -4.353 5.055 1.00 0.00 C ATOM 1167 O THR A 82 11.992 -4.704 5.463 1.00 0.00 O ATOM 1168 CB THR A 82 10.080 -2.433 6.539 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.786 -2.900 6.873 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.037 -0.903 6.612 1.00 0.00 C ATOM 0 H THR A 82 8.432 -2.720 4.701 1.00 0.00 H new ATOM 0 HA THR A 82 11.342 -2.314 4.805 1.00 0.00 H new ATOM 0 HB THR A 82 10.822 -2.838 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.556 -2.607 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.762 -0.594 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.019 -0.499 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.300 -0.525 5.903 1.00 0.00 H new ATOM 1178 N SER A 83 10.006 -5.219 4.536 1.00 0.00 N ATOM 1179 CA SER A 83 10.246 -6.635 4.319 1.00 0.00 C ATOM 1180 C SER A 83 9.285 -7.119 3.234 1.00 0.00 C ATOM 1181 O SER A 83 8.494 -6.326 2.719 1.00 0.00 O ATOM 1182 CB SER A 83 10.035 -7.407 5.629 1.00 0.00 C ATOM 1183 OG SER A 83 10.836 -6.874 6.669 1.00 0.00 O ATOM 0 H SER A 83 9.071 -4.932 4.245 1.00 0.00 H new ATOM 0 HA SER A 83 11.273 -6.806 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.984 -7.363 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.280 -8.458 5.479 1.00 0.00 H new ATOM 0 HG SER A 83 10.682 -7.382 7.493 1.00 0.00 H new ATOM 1189 N ASP A 84 9.335 -8.413 2.909 1.00 0.00 N ATOM 1190 CA ASP A 84 8.268 -9.106 2.207 1.00 0.00 C ATOM 1191 C ASP A 84 6.975 -8.865 2.994 1.00 0.00 C ATOM 1192 O ASP A 84 6.902 -9.132 4.193 1.00 0.00 O ATOM 1193 CB ASP A 84 8.608 -10.601 2.089 1.00 0.00 C ATOM 1194 CG ASP A 84 8.972 -11.247 3.422 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.910 -10.711 4.059 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.338 -12.269 3.755 1.00 0.00 O ATOM 0 H ASP A 84 10.131 -9.011 3.132 1.00 0.00 H new ATOM 0 HA ASP A 84 8.144 -8.732 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.755 -11.127 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.440 -10.723 1.395 1.00 0.00 H new ATOM 1201 N VAL A 85 5.984 -8.276 2.328 1.00 0.00 N ATOM 1202 CA VAL A 85 4.702 -7.906 2.906 1.00 0.00 C ATOM 1203 C VAL A 85 3.590 -8.319 1.951 1.00 0.00 C ATOM 1204 O VAL A 85 3.749 -8.290 0.732 1.00 0.00 O ATOM 1205 CB VAL A 85 4.689 -6.407 3.282 1.00 0.00 C ATOM 1206 CG1 VAL A 85 4.972 -5.491 2.085 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.403 -5.964 3.997 1.00 0.00 C ATOM 0 H VAL A 85 6.058 -8.037 1.339 1.00 0.00 H new ATOM 0 HA VAL A 85 4.531 -8.438 3.842 1.00 0.00 H new ATOM 0 HB VAL A 85 5.508 -6.300 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.950 -4.451 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.955 -5.722 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.213 -5.648 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.464 -4.901 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.546 -6.144 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.286 -6.532 4.920 1.00 0.00 H new ATOM 1217 N VAL A 86 2.469 -8.741 2.528 1.00 0.00 N ATOM 1218 CA VAL A 86 1.263 -9.109 1.817 1.00 0.00 C ATOM 1219 C VAL A 86 0.211 -8.102 2.244 1.00 0.00 C ATOM 1220 O VAL A 86 -0.016 -7.928 3.442 1.00 0.00 O ATOM 1221 CB VAL A 86 0.841 -10.538 2.189 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.392 -10.972 1.385 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.983 -11.529 1.924 1.00 0.00 C ATOM 0 H VAL A 86 2.379 -8.837 3.539 1.00 0.00 H new ATOM 0 HA VAL A 86 1.407 -9.095 0.737 1.00 0.00 H new ATOM 0 HB VAL A 86 0.597 -10.540 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.671 -11.987 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.221 -10.296 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.161 -10.941 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.662 -12.535 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.248 -11.505 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.851 -11.252 2.522 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.410 -7.433 1.279 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.431 -6.443 1.513 1.00 0.00 C ATOM 1235 C ILE A 87 -2.501 -6.575 0.424 1.00 0.00 C ATOM 1236 O ILE A 87 -2.209 -7.049 -0.670 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.744 -5.064 1.631 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.689 -3.866 1.494 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.504 -4.867 0.766 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.780 -3.486 0.024 1.00 0.00 C ATOM 0 H ILE A 87 -0.205 -7.575 0.290 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.967 -6.584 2.452 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.396 -5.090 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.676 -4.117 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.320 -3.024 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.904 -3.866 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.256 -5.607 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.241 -4.988 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.450 -2.634 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.789 -3.221 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.166 -4.330 -0.547 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.739 -6.167 0.707 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.810 -6.049 -0.279 1.00 0.00 C ATOM 1254 C GLU A 88 -4.932 -4.588 -0.693 1.00 0.00 C ATOM 1255 O GLU A 88 -5.183 -3.758 0.165 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.155 -6.454 0.324 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.201 -7.741 1.144 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.499 -7.846 1.947 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.418 -7.032 1.684 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.548 -8.717 2.838 1.00 0.00 O ATOM 0 H GLU A 88 -4.029 -5.904 1.649 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.570 -6.697 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.498 -5.638 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.874 -6.548 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.112 -8.601 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.348 -7.773 1.822 1.00 0.00 H new ATOM 1267 N THR A 89 -4.794 -4.248 -1.967 1.00 0.00 N ATOM 1268 CA THR A 89 -4.964 -2.883 -2.465 1.00 0.00 C ATOM 1269 C THR A 89 -6.452 -2.493 -2.508 1.00 0.00 C ATOM 1270 O THR A 89 -7.313 -3.299 -2.160 1.00 0.00 O ATOM 1271 CB THR A 89 -4.267 -2.815 -3.839 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.261 -4.109 -4.422 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.812 -2.413 -3.640 1.00 0.00 C ATOM 0 H THR A 89 -4.557 -4.920 -2.697 1.00 0.00 H new ATOM 0 HA THR A 89 -4.505 -2.152 -1.799 1.00 0.00 H new ATOM 0 HB THR A 89 -4.793 -2.099 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.878 -4.128 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.313 -2.363 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.767 -1.437 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.313 -3.151 -3.012 1.00 0.00 H new ATOM 1281 N HIS A 90 -6.763 -1.279 -2.979 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.120 -0.826 -3.306 1.00 0.00 C ATOM 1283 C HIS A 90 -9.033 -0.725 -2.070 1.00 0.00 C ATOM 1284 O HIS A 90 -10.153 -1.228 -2.091 1.00 0.00 O ATOM 1285 CB HIS A 90 -8.755 -1.714 -4.403 1.00 0.00 C ATOM 1286 CG HIS A 90 -7.795 -2.318 -5.387 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.305 -1.767 -6.545 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -7.202 -3.533 -5.227 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.393 -2.625 -7.040 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -6.299 -3.714 -6.267 1.00 0.00 N ATOM 0 H HIS A 90 -6.056 -0.564 -3.148 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.023 0.186 -3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.306 -2.520 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.482 -1.117 -4.953 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -7.580 -0.874 -6.954 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.399 -4.234 -4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.816 -2.458 -7.938 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.569 -0.086 -0.988 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.282 -0.062 0.294 1.00 0.00 C ATOM 1300 C LYS A 91 -9.670 1.335 0.760 1.00 0.00 C ATOM 1301 O LYS A 91 -10.059 1.488 1.917 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.462 -0.807 1.352 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.149 -2.229 0.882 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.399 -3.085 0.787 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.190 -4.357 -0.036 1.00 0.00 C ATOM 1306 NZ LYS A 91 -10.049 -5.453 0.443 1.00 0.00 N ATOM 0 H LYS A 91 -7.688 0.429 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.231 -0.576 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.534 -0.269 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.014 -0.841 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.662 -2.190 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.444 -2.692 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.723 -3.358 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.202 -2.498 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.407 -4.154 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.145 -4.661 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.328 -6.052 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.527 -6.025 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.900 -5.057 0.891 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.625 2.326 -0.137 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.142 3.669 0.101 1.00 0.00 C ATOM 1322 C GLU A 92 -11.464 3.584 0.856 1.00 0.00 C ATOM 1323 O GLU A 92 -11.548 3.854 2.057 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.266 4.382 -1.257 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.736 5.835 -1.132 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.250 5.977 -1.149 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -12.836 5.577 -2.176 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -12.784 6.483 -0.140 1.00 0.00 O ATOM 0 H GLU A 92 -9.219 2.210 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.467 4.253 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.300 4.361 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.966 3.833 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.348 6.257 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.313 6.419 -1.950 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.474 3.071 0.163 1.00 0.00 N ATOM 1336 CA GLU A 93 -13.814 2.990 0.691 1.00 0.00 C ATOM 1337 C GLU A 93 -14.006 1.814 1.667 1.00 0.00 C ATOM 1338 O GLU A 93 -15.144 1.443 1.945 1.00 0.00 O ATOM 1339 CB GLU A 93 -14.787 2.963 -0.504 1.00 0.00 C ATOM 1340 CG GLU A 93 -14.599 1.742 -1.427 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.425 1.848 -2.705 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -16.617 2.212 -2.591 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -14.858 1.538 -3.774 1.00 0.00 O ATOM 0 H GLU A 93 -12.378 2.701 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.023 3.866 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.810 2.970 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.656 3.873 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.545 1.644 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.881 0.837 -0.889 1.00 0.00 H new ATOM 1350 N GLU A 94 -12.920 1.231 2.205 1.00 0.00 N ATOM 1351 CA GLU A 94 -12.967 0.276 3.299 1.00 0.00 C ATOM 1352 C GLU A 94 -12.323 0.859 4.562 1.00 0.00 C ATOM 1353 O GLU A 94 -12.524 0.279 5.633 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.262 -1.043 2.934 1.00 0.00 C ATOM 1355 CG GLU A 94 -13.000 -1.953 1.939 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.614 -3.421 2.152 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -12.702 -3.895 3.307 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.163 -4.055 1.172 1.00 0.00 O ATOM 0 H GLU A 94 -11.973 1.422 1.877 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.019 0.067 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.283 -0.805 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.091 -1.606 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.077 -1.834 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.760 -1.654 0.919 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.514 1.929 4.471 1.00 0.00 N ATOM 1366 CA ILE A 95 -10.932 2.542 5.652 1.00 0.00 C ATOM 1367 C ILE A 95 -11.832 3.636 6.221 1.00 0.00 C ATOM 1368 O ILE A 95 -11.999 3.700 7.440 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.472 2.984 5.444 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.323 4.079 4.393 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.609 1.772 5.107 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -7.988 4.799 4.456 1.00 0.00 C ATOM 0 H ILE A 95 -11.256 2.377 3.592 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.876 1.768 6.418 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.128 3.423 6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.444 3.640 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.125 4.806 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.577 2.090 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.655 1.054 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.978 1.305 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.950 5.564 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.873 5.267 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.181 4.083 4.299 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.362 4.509 5.361 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.181 5.632 5.796 1.00 0.00 C ATOM 1386 C VAL A 96 -14.621 5.170 6.046 1.00 0.00 C ATOM 1387 O VAL A 96 -14.966 4.060 5.580 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.101 6.806 4.799 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.661 7.309 4.621 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.693 6.469 3.425 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.359 5.943 6.697 1.00 0.00 O ATOM 0 H VAL A 96 -12.234 4.454 4.351 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.788 6.008 6.741 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.706 7.597 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.650 8.136 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.273 7.650 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.037 6.499 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.607 7.335 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.150 5.630 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.744 6.202 3.537 1.00 0.00 H new