USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 94:sc= 0.024 USER MOD Single : A 40 ASN : amide:sc= -3.71! C(o=-3.7!,f=-3.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -148:sc= -0.889 (180deg=-2.37!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 137:sc= -2.6 (180deg=-6.34!) USER MOD Single : A 74 ASN : amide:sc=-0.00469 K(o=-0.0047,f=-1.4) USER MOD Single : A 75 CYS SG : rot 180:sc= -4.22! USER MOD Single : A 80 TYR OH : rot -12:sc= -3.68! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -154:sc= -0.326 (180deg=-1.64!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 94 ASN : amide:sc= -0.0791 K(o=-0.079,f=-2.3!) USER MOD Single : A 96 THR OG1 : rot -49:sc= 1.03 USER MOD Single : A 97 GLN : amide:sc= -1.04 K(o=-1,f=-0.028) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.005 3.424 2.593 1.00 0.00 N ATOM 79 CA ASN A 40 -37.782 4.229 2.314 1.00 0.00 C ATOM 80 C ASN A 40 -37.597 4.370 0.802 1.00 0.00 C ATOM 81 O ASN A 40 -36.979 3.541 0.163 1.00 0.00 O ATOM 82 CB ASN A 40 -36.562 3.527 2.914 1.00 0.00 C ATOM 83 CG ASN A 40 -35.391 4.508 2.980 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.535 5.668 2.650 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.226 4.088 3.393 1.00 0.00 N ATOM 0 HA ASN A 40 -37.889 5.218 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.797 3.156 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.292 2.662 2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.438 4.734 3.438 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.104 3.114 3.670 1.00 0.00 H new ATOM 92 N THR A 41 -38.127 5.413 0.224 1.00 0.00 N ATOM 93 CA THR A 41 -37.981 5.604 -1.246 1.00 0.00 C ATOM 94 C THR A 41 -36.565 6.094 -1.560 1.00 0.00 C ATOM 95 O THR A 41 -36.036 6.964 -0.896 1.00 0.00 O ATOM 96 CB THR A 41 -38.997 6.641 -1.731 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.312 6.158 -1.495 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.803 6.889 -3.227 1.00 0.00 C ATOM 0 H THR A 41 -38.655 6.141 0.706 1.00 0.00 H new ATOM 0 HA THR A 41 -38.159 4.656 -1.753 1.00 0.00 H new ATOM 0 HB THR A 41 -38.850 7.575 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.964 6.821 -1.803 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.527 7.628 -3.570 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.794 7.260 -3.406 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.949 5.957 -3.772 1.00 0.00 H new ATOM 106 N LEU A 42 -35.947 5.543 -2.570 1.00 0.00 N ATOM 107 CA LEU A 42 -34.567 5.977 -2.926 1.00 0.00 C ATOM 108 C LEU A 42 -34.583 6.646 -4.304 1.00 0.00 C ATOM 109 O LEU A 42 -35.392 6.324 -5.151 1.00 0.00 O ATOM 110 CB LEU A 42 -33.643 4.759 -2.966 1.00 0.00 C ATOM 111 CG LEU A 42 -33.644 4.072 -1.599 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.561 2.990 -1.571 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.360 5.105 -0.508 1.00 0.00 C ATOM 0 H LEU A 42 -36.339 4.811 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.206 6.684 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.976 4.062 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.631 5.066 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.618 3.616 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.561 2.500 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.763 2.253 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.587 3.446 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.361 4.615 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.386 5.561 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -34.131 5.876 -0.527 1.00 0.00 H new ATOM 125 N TYR A 43 -33.694 7.573 -4.534 1.00 0.00 N ATOM 126 CA TYR A 43 -33.660 8.259 -5.858 1.00 0.00 C ATOM 127 C TYR A 43 -32.574 7.626 -6.731 1.00 0.00 C ATOM 128 O TYR A 43 -31.408 7.634 -6.390 1.00 0.00 O ATOM 129 CB TYR A 43 -33.352 9.744 -5.655 1.00 0.00 C ATOM 130 CG TYR A 43 -33.408 10.454 -6.987 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.633 10.919 -7.480 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.237 10.647 -7.728 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.686 11.577 -8.715 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.290 11.305 -8.963 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.515 11.770 -9.456 1.00 0.00 C ATOM 136 OH TYR A 43 -33.567 12.418 -10.673 1.00 0.00 O ATOM 0 H TYR A 43 -32.991 7.885 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.628 8.153 -6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.071 10.185 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.365 9.864 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.537 10.770 -6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.292 10.288 -7.347 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.631 11.936 -9.096 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.386 11.454 -9.535 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.666 12.469 -11.055 1.00 0.00 H new ATOM 146 N VAL A 44 -32.947 7.078 -7.855 1.00 0.00 N ATOM 147 CA VAL A 44 -31.936 6.445 -8.748 1.00 0.00 C ATOM 148 C VAL A 44 -31.899 7.184 -10.086 1.00 0.00 C ATOM 149 O VAL A 44 -32.920 7.445 -10.691 1.00 0.00 O ATOM 150 CB VAL A 44 -32.312 4.980 -8.986 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.219 4.302 -9.816 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.449 4.263 -7.642 1.00 0.00 C ATOM 0 H VAL A 44 -33.908 7.041 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.954 6.498 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.260 4.931 -9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.486 3.259 -9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -31.121 4.812 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.271 4.351 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.717 3.220 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.502 4.312 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.227 4.745 -7.050 1.00 0.00 H new ATOM 162 N TYR A 45 -30.729 7.524 -10.555 1.00 0.00 N ATOM 163 CA TYR A 45 -30.627 8.247 -11.855 1.00 0.00 C ATOM 164 C TYR A 45 -29.629 7.523 -12.761 1.00 0.00 C ATOM 165 O TYR A 45 -28.648 6.972 -12.304 1.00 0.00 O ATOM 166 CB TYR A 45 -30.148 9.678 -11.607 1.00 0.00 C ATOM 167 CG TYR A 45 -30.085 10.423 -12.919 1.00 0.00 C ATOM 168 CD1 TYR A 45 -31.233 11.043 -13.427 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.880 10.495 -13.627 1.00 0.00 C ATOM 170 CE1 TYR A 45 -31.175 11.735 -14.643 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.821 11.185 -14.843 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.970 11.805 -15.352 1.00 0.00 C ATOM 173 OH TYR A 45 -29.912 12.488 -16.550 1.00 0.00 O ATOM 0 H TYR A 45 -29.839 7.332 -10.094 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.605 8.271 -12.337 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.826 10.186 -10.921 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -29.165 9.667 -11.135 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -32.163 10.988 -12.881 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.994 10.017 -13.234 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -32.060 12.215 -15.034 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.891 11.240 -15.389 1.00 0.00 H new ATOM 0 HH TYR A 45 -29.002 12.440 -16.910 1.00 0.00 H new ATOM 183 N GLY A 46 -29.870 7.521 -14.044 1.00 0.00 N ATOM 184 CA GLY A 46 -28.932 6.831 -14.975 1.00 0.00 C ATOM 185 C GLY A 46 -29.435 6.978 -16.412 1.00 0.00 C ATOM 186 O GLY A 46 -30.528 7.452 -16.653 1.00 0.00 O ATOM 0 H GLY A 46 -30.674 7.966 -14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.933 7.257 -14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.854 5.776 -14.713 1.00 0.00 H new ATOM 190 N GLU A 47 -28.646 6.573 -17.370 1.00 0.00 N ATOM 191 CA GLU A 47 -29.075 6.689 -18.791 1.00 0.00 C ATOM 192 C GLU A 47 -29.637 5.346 -19.264 1.00 0.00 C ATOM 193 O GLU A 47 -29.159 4.294 -18.888 1.00 0.00 O ATOM 194 CB GLU A 47 -27.874 7.072 -19.656 1.00 0.00 C ATOM 195 CG GLU A 47 -26.918 5.881 -19.760 1.00 0.00 C ATOM 196 CD GLU A 47 -25.674 6.292 -20.548 1.00 0.00 C ATOM 197 OE1 GLU A 47 -25.615 7.435 -20.971 1.00 0.00 O ATOM 198 OE2 GLU A 47 -24.800 5.456 -20.717 1.00 0.00 O ATOM 0 H GLU A 47 -27.721 6.166 -17.228 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.844 7.456 -18.878 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -28.209 7.371 -20.649 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.358 7.929 -19.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.634 5.541 -18.764 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.414 5.045 -20.253 1.00 0.00 H new ATOM 205 N ASP A 48 -30.650 5.374 -20.087 1.00 0.00 N ATOM 206 CA ASP A 48 -31.241 4.099 -20.584 1.00 0.00 C ATOM 207 C ASP A 48 -31.381 3.114 -19.421 1.00 0.00 C ATOM 208 O ASP A 48 -30.859 2.018 -19.457 1.00 0.00 O ATOM 209 CB ASP A 48 -30.331 3.496 -21.655 1.00 0.00 C ATOM 210 CG ASP A 48 -30.255 4.446 -22.853 1.00 0.00 C ATOM 211 OD1 ASP A 48 -31.107 5.313 -22.952 1.00 0.00 O ATOM 212 OD2 ASP A 48 -29.346 4.290 -23.651 1.00 0.00 O ATOM 0 H ASP A 48 -31.093 6.224 -20.436 1.00 0.00 H new ATOM 0 HA ASP A 48 -32.223 4.298 -21.013 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -29.334 3.327 -21.248 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -30.715 2.526 -21.970 1.00 0.00 H new ATOM 217 N MET A 49 -32.081 3.497 -18.388 1.00 0.00 N ATOM 218 CA MET A 49 -32.251 2.583 -17.224 1.00 0.00 C ATOM 219 C MET A 49 -33.512 1.740 -17.415 1.00 0.00 C ATOM 220 O MET A 49 -34.538 2.228 -17.849 1.00 0.00 O ATOM 221 CB MET A 49 -32.381 3.409 -15.942 1.00 0.00 C ATOM 222 CG MET A 49 -31.044 4.087 -15.634 1.00 0.00 C ATOM 223 SD MET A 49 -31.145 4.914 -14.027 1.00 0.00 S ATOM 224 CE MET A 49 -32.534 6.007 -14.420 1.00 0.00 C ATOM 0 H MET A 49 -32.542 4.403 -18.300 1.00 0.00 H new ATOM 0 HA MET A 49 -31.384 1.927 -17.149 1.00 0.00 H new ATOM 0 HB2 MET A 49 -33.163 4.159 -16.058 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.675 2.767 -15.112 1.00 0.00 H new ATOM 0 HG2 MET A 49 -30.243 3.348 -15.625 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.802 4.810 -16.413 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.429 6.942 -13.869 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.542 6.215 -15.490 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.469 5.523 -14.138 1.00 0.00 H new ATOM 234 N THR A 50 -33.448 0.477 -17.092 1.00 0.00 N ATOM 235 CA THR A 50 -34.644 -0.396 -17.254 1.00 0.00 C ATOM 236 C THR A 50 -35.030 -0.984 -15.895 1.00 0.00 C ATOM 237 O THR A 50 -34.264 -0.943 -14.952 1.00 0.00 O ATOM 238 CB THR A 50 -34.321 -1.531 -18.230 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.965 -1.922 -18.065 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.547 -1.051 -19.665 1.00 0.00 C ATOM 0 H THR A 50 -32.618 0.012 -16.723 1.00 0.00 H new ATOM 0 HA THR A 50 -35.474 0.192 -17.646 1.00 0.00 H new ATOM 0 HB THR A 50 -34.971 -2.382 -18.029 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.756 -2.650 -18.687 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.317 -1.859 -20.359 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.588 -0.751 -19.789 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.898 -0.200 -19.871 1.00 0.00 H new ATOM 248 N PRO A 51 -36.245 -1.541 -15.796 1.00 0.00 N ATOM 249 CA PRO A 51 -36.743 -2.139 -14.550 1.00 0.00 C ATOM 250 C PRO A 51 -36.005 -3.437 -14.204 1.00 0.00 C ATOM 251 O PRO A 51 -35.449 -3.577 -13.132 1.00 0.00 O ATOM 252 CB PRO A 51 -38.211 -2.436 -14.857 1.00 0.00 C ATOM 253 CG PRO A 51 -38.267 -2.571 -16.341 1.00 0.00 C ATOM 254 CD PRO A 51 -37.229 -1.631 -16.889 1.00 0.00 C ATOM 0 HA PRO A 51 -36.598 -1.480 -13.694 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.542 -3.350 -14.363 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.859 -1.632 -14.508 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.062 -3.597 -16.646 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.258 -2.318 -16.717 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.780 -2.017 -17.804 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.655 -0.657 -17.129 1.00 0.00 H new ATOM 262 N THR A 52 -35.995 -4.385 -15.100 1.00 0.00 N ATOM 263 CA THR A 52 -35.294 -5.669 -14.818 1.00 0.00 C ATOM 264 C THR A 52 -33.855 -5.382 -14.390 1.00 0.00 C ATOM 265 O THR A 52 -33.313 -6.034 -13.519 1.00 0.00 O ATOM 266 CB THR A 52 -35.291 -6.533 -16.083 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.302 -6.074 -16.969 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.560 -7.989 -15.707 1.00 0.00 C ATOM 0 H THR A 52 -36.442 -4.326 -16.015 1.00 0.00 H new ATOM 0 HA THR A 52 -35.810 -6.198 -14.017 1.00 0.00 H new ATOM 0 HB THR A 52 -34.320 -6.461 -16.572 1.00 0.00 H new ATOM 0 HG1 THR A 52 -36.301 -6.624 -17.780 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.558 -8.604 -16.607 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.783 -8.339 -15.027 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.531 -8.065 -15.218 1.00 0.00 H new ATOM 276 N LEU A 53 -33.233 -4.408 -14.992 1.00 0.00 N ATOM 277 CA LEU A 53 -31.830 -4.076 -14.619 1.00 0.00 C ATOM 278 C LEU A 53 -31.804 -3.519 -13.195 1.00 0.00 C ATOM 279 O LEU A 53 -31.022 -3.942 -12.366 1.00 0.00 O ATOM 280 CB LEU A 53 -31.278 -3.028 -15.586 1.00 0.00 C ATOM 281 CG LEU A 53 -29.795 -2.792 -15.290 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.984 -4.004 -15.752 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.318 -1.544 -16.036 1.00 0.00 C ATOM 0 H LEU A 53 -33.636 -3.827 -15.727 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.216 -4.975 -14.672 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.405 -3.364 -16.615 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.833 -2.095 -15.484 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.656 -2.649 -14.218 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.928 -3.837 -15.542 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.323 -4.893 -15.220 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.122 -4.147 -16.824 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.262 -1.376 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.456 -1.686 -17.108 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.896 -0.680 -15.707 1.00 0.00 H new ATOM 295 N LEU A 54 -32.655 -2.574 -12.903 1.00 0.00 N ATOM 296 CA LEU A 54 -32.680 -1.992 -11.533 1.00 0.00 C ATOM 297 C LEU A 54 -33.110 -3.069 -10.533 1.00 0.00 C ATOM 298 O LEU A 54 -32.543 -3.200 -9.467 1.00 0.00 O ATOM 299 CB LEU A 54 -33.673 -0.829 -11.490 1.00 0.00 C ATOM 300 CG LEU A 54 -33.152 0.318 -12.358 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.331 1.035 -13.019 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.379 1.307 -11.484 1.00 0.00 C ATOM 0 H LEU A 54 -33.334 -2.180 -13.555 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.686 -1.628 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.649 -1.156 -11.849 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.808 -0.490 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.492 -0.080 -13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.960 1.852 -13.637 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.883 0.331 -13.642 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.992 1.434 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.007 2.125 -12.101 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.039 1.705 -10.714 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.539 0.797 -11.013 1.00 0.00 H new ATOM 314 N ARG A 55 -34.105 -3.841 -10.871 1.00 0.00 N ATOM 315 CA ARG A 55 -34.566 -4.909 -9.940 1.00 0.00 C ATOM 316 C ARG A 55 -33.372 -5.769 -9.526 1.00 0.00 C ATOM 317 O ARG A 55 -33.252 -6.177 -8.387 1.00 0.00 O ATOM 318 CB ARG A 55 -35.607 -5.784 -10.641 1.00 0.00 C ATOM 319 CG ARG A 55 -36.144 -6.825 -9.656 1.00 0.00 C ATOM 320 CD ARG A 55 -37.268 -7.623 -10.320 1.00 0.00 C ATOM 321 NE ARG A 55 -36.694 -8.507 -11.373 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.449 -8.935 -12.348 1.00 0.00 C ATOM 323 NH1 ARG A 55 -37.701 -10.210 -12.467 1.00 0.00 N ATOM 324 NH2 ARG A 55 -37.951 -8.089 -13.204 1.00 0.00 N ATOM 0 H ARG A 55 -34.618 -3.779 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.012 -4.454 -9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.424 -5.167 -11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.160 -6.280 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.342 -7.495 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.515 -6.333 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.793 -8.221 -9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.000 -6.945 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 55 -35.711 -8.778 -11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -37.308 -10.872 -11.798 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -38.291 -10.544 -13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -37.754 -7.093 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -38.541 -8.424 -13.966 1.00 0.00 H new ATOM 338 N GLY A 56 -32.485 -6.049 -10.442 1.00 0.00 N ATOM 339 CA GLY A 56 -31.297 -6.881 -10.099 1.00 0.00 C ATOM 340 C GLY A 56 -30.301 -6.038 -9.301 1.00 0.00 C ATOM 341 O GLY A 56 -29.570 -6.543 -8.471 1.00 0.00 O ATOM 0 H GLY A 56 -32.532 -5.738 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.603 -7.750 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.827 -7.256 -11.008 1.00 0.00 H new ATOM 345 N ALA A 57 -30.268 -4.757 -9.544 1.00 0.00 N ATOM 346 CA ALA A 57 -29.321 -3.880 -8.799 1.00 0.00 C ATOM 347 C ALA A 57 -29.891 -3.579 -7.411 1.00 0.00 C ATOM 348 O ALA A 57 -29.209 -3.064 -6.547 1.00 0.00 O ATOM 349 CB ALA A 57 -29.129 -2.571 -9.569 1.00 0.00 C ATOM 0 H ALA A 57 -30.856 -4.279 -10.227 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.360 -4.384 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.437 -1.928 -9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.724 -2.787 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.089 -2.065 -9.672 1.00 0.00 H new ATOM 355 N PHE A 58 -31.137 -3.899 -7.191 1.00 0.00 N ATOM 356 CA PHE A 58 -31.752 -3.634 -5.859 1.00 0.00 C ATOM 357 C PHE A 58 -32.430 -4.908 -5.345 1.00 0.00 C ATOM 358 O PHE A 58 -32.976 -4.938 -4.260 1.00 0.00 O ATOM 359 CB PHE A 58 -32.796 -2.523 -5.993 1.00 0.00 C ATOM 360 CG PHE A 58 -32.104 -1.204 -6.246 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.702 -0.860 -7.543 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.866 -0.323 -5.183 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.062 0.363 -7.777 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.226 0.901 -5.419 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.825 1.243 -6.715 1.00 0.00 C ATOM 0 H PHE A 58 -31.756 -4.333 -7.876 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.977 -3.326 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.479 -2.749 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.395 -2.462 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.886 -1.539 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.176 -0.587 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.751 0.627 -8.777 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.042 1.581 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.332 2.187 -6.896 1.00 0.00 H new ATOM 375 N SER A 59 -32.402 -5.961 -6.117 1.00 0.00 N ATOM 376 CA SER A 59 -33.046 -7.230 -5.676 1.00 0.00 C ATOM 377 C SER A 59 -32.272 -7.827 -4.497 1.00 0.00 C ATOM 378 O SER A 59 -32.825 -8.065 -3.441 1.00 0.00 O ATOM 379 CB SER A 59 -33.052 -8.226 -6.837 1.00 0.00 C ATOM 380 OG SER A 59 -32.930 -9.547 -6.329 1.00 0.00 O ATOM 0 H SER A 59 -31.960 -5.996 -7.036 1.00 0.00 H new ATOM 0 HA SER A 59 -34.069 -7.023 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.975 -8.129 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.230 -8.010 -7.519 1.00 0.00 H new ATOM 0 HG SER A 59 -32.935 -10.185 -7.073 1.00 0.00 H new ATOM 386 N PRO A 60 -30.967 -8.076 -4.685 1.00 0.00 N ATOM 387 CA PRO A 60 -30.113 -8.652 -3.637 1.00 0.00 C ATOM 388 C PRO A 60 -29.899 -7.675 -2.478 1.00 0.00 C ATOM 389 O PRO A 60 -29.598 -8.069 -1.368 1.00 0.00 O ATOM 390 CB PRO A 60 -28.789 -8.913 -4.356 1.00 0.00 C ATOM 391 CG PRO A 60 -28.787 -7.949 -5.493 1.00 0.00 C ATOM 392 CD PRO A 60 -30.218 -7.816 -5.928 1.00 0.00 C ATOM 0 HA PRO A 60 -30.554 -9.545 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.939 -8.748 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.724 -9.943 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.382 -6.985 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.163 -8.311 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.428 -6.823 -6.326 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.471 -8.533 -6.709 1.00 0.00 H new ATOM 400 N PHE A 61 -30.055 -6.404 -2.727 1.00 0.00 N ATOM 401 CA PHE A 61 -29.862 -5.403 -1.641 1.00 0.00 C ATOM 402 C PHE A 61 -30.996 -5.536 -0.622 1.00 0.00 C ATOM 403 O PHE A 61 -30.880 -5.108 0.510 1.00 0.00 O ATOM 404 CB PHE A 61 -29.872 -3.996 -2.239 1.00 0.00 C ATOM 405 CG PHE A 61 -28.528 -3.705 -2.861 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.481 -3.217 -2.069 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.328 -3.925 -4.229 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.234 -2.948 -2.647 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.082 -3.656 -4.807 1.00 0.00 C ATOM 410 CZ PHE A 61 -26.034 -3.168 -4.015 1.00 0.00 C ATOM 0 H PHE A 61 -30.308 -6.016 -3.636 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.907 -5.579 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.658 -3.914 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.093 -3.262 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.635 -3.048 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.136 -4.302 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.426 -2.571 -2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.928 -3.824 -5.863 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.072 -2.962 -4.460 1.00 0.00 H new ATOM 420 N GLY A 62 -32.094 -6.124 -1.013 1.00 0.00 N ATOM 421 CA GLY A 62 -33.233 -6.283 -0.066 1.00 0.00 C ATOM 422 C GLY A 62 -34.535 -6.446 -0.853 1.00 0.00 C ATOM 423 O GLY A 62 -34.535 -6.519 -2.066 1.00 0.00 O ATOM 0 H GLY A 62 -32.251 -6.501 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.070 -7.152 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.298 -5.414 0.589 1.00 0.00 H new ATOM 427 N ASN A 63 -35.647 -6.505 -0.170 1.00 0.00 N ATOM 428 CA ASN A 63 -36.949 -6.664 -0.879 1.00 0.00 C ATOM 429 C ASN A 63 -37.583 -5.289 -1.096 1.00 0.00 C ATOM 430 O ASN A 63 -37.646 -4.473 -0.197 1.00 0.00 O ATOM 431 CB ASN A 63 -37.887 -7.528 -0.032 1.00 0.00 C ATOM 432 CG ASN A 63 -37.244 -8.895 0.207 1.00 0.00 C ATOM 433 OD1 ASN A 63 -37.187 -9.366 1.326 1.00 0.00 O ATOM 434 ND2 ASN A 63 -36.754 -9.557 -0.805 1.00 0.00 N ATOM 0 H ASN A 63 -35.710 -6.450 0.847 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.782 -7.144 -1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.089 -7.038 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.845 -7.648 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.323 -10.470 -0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -36.802 -9.162 -1.744 1.00 0.00 H new ATOM 441 N ILE A 64 -38.055 -5.024 -2.284 1.00 0.00 N ATOM 442 CA ILE A 64 -38.685 -3.701 -2.556 1.00 0.00 C ATOM 443 C ILE A 64 -40.207 -3.853 -2.558 1.00 0.00 C ATOM 444 O ILE A 64 -40.752 -4.737 -3.187 1.00 0.00 O ATOM 445 CB ILE A 64 -38.224 -3.186 -3.922 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.696 -3.096 -3.944 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.821 -1.800 -4.171 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.212 -3.006 -5.393 1.00 0.00 C ATOM 0 H ILE A 64 -38.032 -5.666 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.390 -2.993 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.558 -3.871 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.364 -2.222 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.262 -3.970 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.493 -1.432 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.909 -1.864 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.487 -1.115 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.124 -2.942 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.532 -3.893 -5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.635 -2.118 -5.863 1.00 0.00 H new ATOM 460 N ILE A 65 -40.899 -2.994 -1.859 1.00 0.00 N ATOM 461 CA ILE A 65 -42.386 -3.090 -1.822 1.00 0.00 C ATOM 462 C ILE A 65 -42.980 -2.159 -2.880 1.00 0.00 C ATOM 463 O ILE A 65 -44.124 -2.294 -3.268 1.00 0.00 O ATOM 464 CB ILE A 65 -42.891 -2.678 -0.438 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.694 -1.172 -0.250 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.106 -3.433 0.637 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.353 -0.731 1.059 1.00 0.00 C ATOM 0 H ILE A 65 -40.499 -2.231 -1.313 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.690 -4.117 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.950 -2.919 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.631 -0.933 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.129 -0.630 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.465 -3.140 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.246 -4.506 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.046 -3.192 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.213 0.342 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.419 -0.956 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.897 -1.264 1.893 1.00 0.00 H new ATOM 479 N ASP A 66 -42.213 -1.213 -3.349 1.00 0.00 N ATOM 480 CA ASP A 66 -42.736 -0.274 -4.380 1.00 0.00 C ATOM 481 C ASP A 66 -41.600 0.138 -5.320 1.00 0.00 C ATOM 482 O ASP A 66 -40.680 0.829 -4.931 1.00 0.00 O ATOM 483 CB ASP A 66 -43.306 0.970 -3.694 1.00 0.00 C ATOM 484 CG ASP A 66 -44.010 1.847 -4.730 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.079 1.438 -5.876 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.468 2.916 -4.358 1.00 0.00 O ATOM 0 H ASP A 66 -41.248 -1.050 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.522 -0.766 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.007 0.678 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.506 1.531 -3.211 1.00 0.00 H new ATOM 491 N LEU A 67 -41.659 -0.280 -6.555 1.00 0.00 N ATOM 492 CA LEU A 67 -40.585 0.089 -7.519 1.00 0.00 C ATOM 493 C LEU A 67 -41.194 0.894 -8.670 1.00 0.00 C ATOM 494 O LEU A 67 -42.044 0.414 -9.393 1.00 0.00 O ATOM 495 CB LEU A 67 -39.936 -1.183 -8.071 1.00 0.00 C ATOM 496 CG LEU A 67 -38.753 -0.806 -8.967 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.580 -1.747 -8.686 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.167 -0.931 -10.435 1.00 0.00 C ATOM 0 H LEU A 67 -42.405 -0.861 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.829 0.690 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.597 -1.816 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.666 -1.760 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.452 0.221 -8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.738 -1.479 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.286 -1.659 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.880 -2.774 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.326 -0.663 -11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.467 -1.958 -10.642 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -40.003 -0.261 -10.636 1.00 0.00 H new ATOM 510 N SER A 68 -40.770 2.116 -8.844 1.00 0.00 N ATOM 511 CA SER A 68 -41.331 2.948 -9.945 1.00 0.00 C ATOM 512 C SER A 68 -40.196 3.444 -10.846 1.00 0.00 C ATOM 513 O SER A 68 -39.058 3.539 -10.432 1.00 0.00 O ATOM 514 CB SER A 68 -42.069 4.148 -9.350 1.00 0.00 C ATOM 515 OG SER A 68 -43.067 3.690 -8.450 1.00 0.00 O ATOM 0 H SER A 68 -40.060 2.573 -8.272 1.00 0.00 H new ATOM 0 HA SER A 68 -42.024 2.348 -10.534 1.00 0.00 H new ATOM 0 HB2 SER A 68 -41.367 4.800 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.524 4.739 -10.145 1.00 0.00 H new ATOM 0 HG SER A 68 -43.539 4.458 -8.067 1.00 0.00 H new ATOM 521 N MET A 69 -40.501 3.764 -12.074 1.00 0.00 N ATOM 522 CA MET A 69 -39.444 4.256 -13.002 1.00 0.00 C ATOM 523 C MET A 69 -39.959 5.493 -13.744 1.00 0.00 C ATOM 524 O MET A 69 -41.121 5.583 -14.086 1.00 0.00 O ATOM 525 CB MET A 69 -39.101 3.160 -14.014 1.00 0.00 C ATOM 526 CG MET A 69 -38.398 2.005 -13.297 1.00 0.00 C ATOM 527 SD MET A 69 -37.747 0.841 -14.519 1.00 0.00 S ATOM 528 CE MET A 69 -36.500 1.940 -15.235 1.00 0.00 C ATOM 0 H MET A 69 -41.437 3.706 -12.475 1.00 0.00 H new ATOM 0 HA MET A 69 -38.551 4.515 -12.434 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.009 2.802 -14.500 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.458 3.562 -14.797 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.588 2.388 -12.676 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.096 1.497 -12.632 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.572 1.388 -15.386 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.856 2.319 -16.193 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.319 2.775 -14.558 1.00 0.00 H new ATOM 538 N ASP A 70 -39.105 6.449 -13.993 1.00 0.00 N ATOM 539 CA ASP A 70 -39.551 7.678 -14.708 1.00 0.00 C ATOM 540 C ASP A 70 -38.769 7.823 -16.015 1.00 0.00 C ATOM 541 O ASP A 70 -37.647 8.290 -16.028 1.00 0.00 O ATOM 542 CB ASP A 70 -39.299 8.903 -13.825 1.00 0.00 C ATOM 543 CG ASP A 70 -40.554 9.208 -13.005 1.00 0.00 C ATOM 544 OD1 ASP A 70 -41.472 8.405 -13.040 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.575 10.240 -12.354 1.00 0.00 O ATOM 0 H ASP A 70 -38.119 6.432 -13.732 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.616 7.601 -14.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.454 8.719 -13.161 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -39.038 9.762 -14.443 1.00 0.00 H new ATOM 550 N PRO A 71 -39.381 7.414 -17.137 1.00 0.00 N ATOM 551 CA PRO A 71 -38.747 7.499 -18.454 1.00 0.00 C ATOM 552 C PRO A 71 -38.694 8.930 -19.025 1.00 0.00 C ATOM 553 O PRO A 71 -37.810 9.244 -19.796 1.00 0.00 O ATOM 554 CB PRO A 71 -39.619 6.604 -19.332 1.00 0.00 C ATOM 555 CG PRO A 71 -40.958 6.578 -18.671 1.00 0.00 C ATOM 556 CD PRO A 71 -40.735 6.835 -17.201 1.00 0.00 C ATOM 0 HA PRO A 71 -37.702 7.193 -18.405 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.690 6.998 -20.346 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.200 5.601 -19.408 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.613 7.337 -19.099 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.444 5.614 -18.824 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.481 7.521 -16.799 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.803 5.915 -16.621 1.00 0.00 H new ATOM 564 N PRO A 72 -39.641 9.824 -18.658 1.00 0.00 N ATOM 565 CA PRO A 72 -39.639 11.198 -19.174 1.00 0.00 C ATOM 566 C PRO A 72 -38.563 12.056 -18.502 1.00 0.00 C ATOM 567 O PRO A 72 -38.089 13.025 -19.061 1.00 0.00 O ATOM 568 CB PRO A 72 -41.023 11.728 -18.810 1.00 0.00 C ATOM 569 CG PRO A 72 -41.444 10.924 -17.626 1.00 0.00 C ATOM 570 CD PRO A 72 -40.770 9.583 -17.737 1.00 0.00 C ATOM 0 HA PRO A 72 -39.425 11.228 -20.242 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.989 12.791 -18.573 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.722 11.608 -19.638 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -41.158 11.423 -16.700 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -42.528 10.809 -17.604 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -40.424 9.229 -16.766 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.450 8.826 -18.129 1.00 0.00 H new ATOM 578 N ARG A 73 -38.177 11.707 -17.305 1.00 0.00 N ATOM 579 CA ARG A 73 -37.136 12.503 -16.596 1.00 0.00 C ATOM 580 C ARG A 73 -35.839 11.696 -16.509 1.00 0.00 C ATOM 581 O ARG A 73 -34.840 12.165 -16.004 1.00 0.00 O ATOM 582 CB ARG A 73 -37.624 12.836 -15.185 1.00 0.00 C ATOM 583 CG ARG A 73 -38.864 13.729 -15.272 1.00 0.00 C ATOM 584 CD ARG A 73 -39.249 14.205 -13.871 1.00 0.00 C ATOM 585 NE ARG A 73 -40.577 14.878 -13.922 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.713 16.092 -13.460 1.00 0.00 C ATOM 587 NH1 ARG A 73 -40.107 16.442 -12.359 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.455 16.954 -14.099 1.00 0.00 N ATOM 0 H ARG A 73 -38.538 10.905 -16.788 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.950 13.425 -17.146 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.860 11.919 -14.644 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.837 13.342 -14.626 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -38.664 14.585 -15.916 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -39.691 13.179 -15.721 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -39.284 13.359 -13.185 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -38.495 14.893 -13.489 1.00 0.00 H new ATOM 0 HE ARG A 73 -41.381 14.390 -14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -39.527 15.768 -11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -40.213 17.390 -11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -41.929 16.680 -14.960 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -41.561 17.902 -13.738 1.00 0.00 H new ATOM 602 N ASN A 74 -35.847 10.485 -16.997 1.00 0.00 N ATOM 603 CA ASN A 74 -34.612 9.651 -16.941 1.00 0.00 C ATOM 604 C ASN A 74 -34.238 9.387 -15.480 1.00 0.00 C ATOM 605 O ASN A 74 -33.085 9.457 -15.103 1.00 0.00 O ATOM 606 CB ASN A 74 -33.465 10.387 -17.636 1.00 0.00 C ATOM 607 CG ASN A 74 -33.838 10.650 -19.096 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.711 10.001 -19.639 1.00 0.00 O ATOM 609 ND2 ASN A 74 -33.209 11.581 -19.760 1.00 0.00 N ATOM 0 H ASN A 74 -36.654 10.038 -17.431 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.793 8.702 -17.446 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -33.261 11.329 -17.126 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.553 9.793 -17.584 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -33.450 11.764 -20.734 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -32.477 12.126 -19.305 1.00 0.00 H new ATOM 616 N CYS A 75 -35.204 9.085 -14.657 1.00 0.00 N ATOM 617 CA CYS A 75 -34.901 8.816 -13.223 1.00 0.00 C ATOM 618 C CYS A 75 -35.788 7.674 -12.721 1.00 0.00 C ATOM 619 O CYS A 75 -36.806 7.362 -13.307 1.00 0.00 O ATOM 620 CB CYS A 75 -35.175 10.075 -12.397 1.00 0.00 C ATOM 621 SG CYS A 75 -36.871 10.633 -12.693 1.00 0.00 S ATOM 0 H CYS A 75 -36.188 9.013 -14.915 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.853 8.536 -13.120 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -35.029 9.866 -11.337 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.470 10.861 -12.667 1.00 0.00 H new ATOM 0 HG CYS A 75 -37.105 11.701 -11.990 1.00 0.00 H new ATOM 627 N ALA A 76 -35.411 7.046 -11.640 1.00 0.00 N ATOM 628 CA ALA A 76 -36.233 5.925 -11.104 1.00 0.00 C ATOM 629 C ALA A 76 -36.271 6.004 -9.576 1.00 0.00 C ATOM 630 O ALA A 76 -35.393 6.566 -8.952 1.00 0.00 O ATOM 631 CB ALA A 76 -35.618 4.592 -11.531 1.00 0.00 C ATOM 0 H ALA A 76 -34.569 7.261 -11.106 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.247 5.999 -11.496 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.219 3.772 -11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.592 4.535 -12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.603 4.517 -11.140 1.00 0.00 H new ATOM 637 N PHE A 77 -37.282 5.443 -8.970 1.00 0.00 N ATOM 638 CA PHE A 77 -37.376 5.485 -7.483 1.00 0.00 C ATOM 639 C PHE A 77 -37.393 4.058 -6.934 1.00 0.00 C ATOM 640 O PHE A 77 -38.088 3.197 -7.436 1.00 0.00 O ATOM 641 CB PHE A 77 -38.664 6.203 -7.075 1.00 0.00 C ATOM 642 CG PHE A 77 -38.601 7.643 -7.527 1.00 0.00 C ATOM 643 CD1 PHE A 77 -37.959 8.599 -6.732 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.183 8.020 -8.742 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.899 9.933 -7.151 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.124 9.355 -9.163 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.482 10.311 -8.367 1.00 0.00 C ATOM 0 H PHE A 77 -38.046 4.958 -9.440 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.517 6.020 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.526 5.708 -7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.793 6.155 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.509 8.307 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.678 7.282 -9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.403 10.670 -6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.573 9.646 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.436 11.340 -8.691 1.00 0.00 H new ATOM 657 N VAL A 78 -36.630 3.798 -5.907 1.00 0.00 N ATOM 658 CA VAL A 78 -36.602 2.424 -5.329 1.00 0.00 C ATOM 659 C VAL A 78 -37.007 2.482 -3.855 1.00 0.00 C ATOM 660 O VAL A 78 -36.429 3.206 -3.070 1.00 0.00 O ATOM 661 CB VAL A 78 -35.188 1.852 -5.447 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.185 0.397 -4.974 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.734 1.913 -6.908 1.00 0.00 C ATOM 0 H VAL A 78 -36.026 4.477 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.300 1.786 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.507 2.437 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.178 -0.011 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.509 0.352 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.866 -0.188 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.727 1.506 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.415 1.328 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.736 2.949 -7.247 1.00 0.00 H new ATOM 673 N THR A 79 -37.996 1.721 -3.472 1.00 0.00 N ATOM 674 CA THR A 79 -38.436 1.730 -2.049 1.00 0.00 C ATOM 675 C THR A 79 -38.014 0.419 -1.380 1.00 0.00 C ATOM 676 O THR A 79 -38.114 -0.644 -1.959 1.00 0.00 O ATOM 677 CB THR A 79 -39.959 1.869 -1.986 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.358 3.014 -2.726 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.402 2.020 -0.530 1.00 0.00 C ATOM 0 H THR A 79 -38.518 1.094 -4.084 1.00 0.00 H new ATOM 0 HA THR A 79 -37.974 2.570 -1.529 1.00 0.00 H new ATOM 0 HB THR A 79 -40.423 0.979 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.589 2.748 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.487 2.119 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.096 1.141 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 79 -39.940 2.908 -0.099 1.00 0.00 H new ATOM 687 N TYR A 80 -37.542 0.487 -0.165 1.00 0.00 N ATOM 688 CA TYR A 80 -37.111 -0.757 0.536 1.00 0.00 C ATOM 689 C TYR A 80 -37.957 -0.952 1.796 1.00 0.00 C ATOM 690 O TYR A 80 -38.204 -0.025 2.540 1.00 0.00 O ATOM 691 CB TYR A 80 -35.637 -0.638 0.927 1.00 0.00 C ATOM 692 CG TYR A 80 -34.776 -1.200 -0.178 1.00 0.00 C ATOM 693 CD1 TYR A 80 -34.914 -2.539 -0.562 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.838 -0.382 -0.820 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.115 -3.060 -1.587 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.039 -0.902 -1.844 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.177 -2.242 -2.228 1.00 0.00 C ATOM 698 OH TYR A 80 -32.390 -2.755 -3.237 1.00 0.00 O ATOM 0 H TYR A 80 -37.436 1.348 0.372 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.244 -1.612 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.381 0.406 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.452 -1.176 1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.637 -3.171 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.731 0.651 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.222 -4.093 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.316 -0.270 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.471 -3.732 -3.251 1.00 0.00 H new ATOM 708 N GLU A 81 -38.400 -2.155 2.042 1.00 0.00 N ATOM 709 CA GLU A 81 -39.226 -2.409 3.256 1.00 0.00 C ATOM 710 C GLU A 81 -38.422 -2.034 4.502 1.00 0.00 C ATOM 711 O GLU A 81 -38.969 -1.626 5.507 1.00 0.00 O ATOM 712 CB GLU A 81 -39.599 -3.893 3.317 1.00 0.00 C ATOM 713 CG GLU A 81 -40.614 -4.119 4.439 1.00 0.00 C ATOM 714 CD GLU A 81 -40.931 -5.611 4.548 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.367 -6.374 3.780 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.731 -5.967 5.397 1.00 0.00 O ATOM 0 H GLU A 81 -38.226 -2.971 1.456 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.134 -1.808 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.018 -4.213 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.708 -4.496 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.215 -3.751 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.526 -3.557 4.238 1.00 0.00 H new ATOM 723 N LYS A 82 -37.125 -2.166 4.440 1.00 0.00 N ATOM 724 CA LYS A 82 -36.283 -1.815 5.617 1.00 0.00 C ATOM 725 C LYS A 82 -35.361 -0.649 5.252 1.00 0.00 C ATOM 726 O LYS A 82 -34.894 -0.541 4.135 1.00 0.00 O ATOM 727 CB LYS A 82 -35.435 -3.024 6.018 1.00 0.00 C ATOM 728 CG LYS A 82 -36.350 -4.158 6.486 1.00 0.00 C ATOM 729 CD LYS A 82 -35.496 -5.321 6.997 1.00 0.00 C ATOM 730 CE LYS A 82 -36.406 -6.474 7.424 1.00 0.00 C ATOM 731 NZ LYS A 82 -35.580 -7.686 7.690 1.00 0.00 N ATOM 0 H LYS A 82 -36.613 -2.502 3.625 1.00 0.00 H new ATOM 0 HA LYS A 82 -36.925 -1.528 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.832 -3.355 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.744 -2.748 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.012 -3.804 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -36.984 -4.491 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.812 -5.654 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.885 -4.995 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -36.965 -6.198 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -37.137 -6.683 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.198 -8.470 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.066 -7.952 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -34.899 -7.482 8.449 1.00 0.00 H new ATOM 745 N MET A 83 -35.093 0.224 6.185 1.00 0.00 N ATOM 746 CA MET A 83 -34.200 1.378 5.888 1.00 0.00 C ATOM 747 C MET A 83 -32.765 0.876 5.713 1.00 0.00 C ATOM 748 O MET A 83 -31.925 1.550 5.149 1.00 0.00 O ATOM 749 CB MET A 83 -34.253 2.377 7.046 1.00 0.00 C ATOM 750 CG MET A 83 -35.674 2.929 7.178 1.00 0.00 C ATOM 751 SD MET A 83 -35.705 4.212 8.454 1.00 0.00 S ATOM 752 CE MET A 83 -35.150 3.178 9.831 1.00 0.00 C ATOM 0 H MET A 83 -35.454 0.187 7.138 1.00 0.00 H new ATOM 0 HA MET A 83 -34.530 1.868 4.972 1.00 0.00 H new ATOM 0 HB2 MET A 83 -33.953 1.891 7.974 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.550 3.191 6.871 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.006 3.341 6.225 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.365 2.127 7.437 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.518 3.593 10.769 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.536 2.167 9.705 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.060 3.151 9.849 1.00 0.00 H new ATOM 762 N GLU A 84 -32.479 -0.303 6.193 1.00 0.00 N ATOM 763 CA GLU A 84 -31.100 -0.850 6.056 1.00 0.00 C ATOM 764 C GLU A 84 -30.882 -1.340 4.623 1.00 0.00 C ATOM 765 O GLU A 84 -29.769 -1.394 4.138 1.00 0.00 O ATOM 766 CB GLU A 84 -30.918 -2.018 7.029 1.00 0.00 C ATOM 767 CG GLU A 84 -30.946 -1.495 8.467 1.00 0.00 C ATOM 768 CD GLU A 84 -30.579 -2.626 9.428 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.463 -3.751 8.972 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.420 -2.348 10.606 1.00 0.00 O ATOM 0 H GLU A 84 -33.141 -0.911 6.674 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.375 -0.069 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.709 -2.753 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -29.973 -2.524 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.245 -0.667 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.937 -1.108 8.705 1.00 0.00 H new ATOM 777 N SER A 85 -31.935 -1.697 3.941 1.00 0.00 N ATOM 778 CA SER A 85 -31.785 -2.183 2.539 1.00 0.00 C ATOM 779 C SER A 85 -31.526 -0.995 1.612 1.00 0.00 C ATOM 780 O SER A 85 -30.830 -1.107 0.623 1.00 0.00 O ATOM 781 CB SER A 85 -33.067 -2.897 2.107 1.00 0.00 C ATOM 782 OG SER A 85 -33.374 -3.925 3.037 1.00 0.00 O ATOM 0 H SER A 85 -32.892 -1.674 4.293 1.00 0.00 H new ATOM 0 HA SER A 85 -30.946 -2.877 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.891 -2.185 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.942 -3.320 1.110 1.00 0.00 H new ATOM 0 HG SER A 85 -34.196 -4.381 2.761 1.00 0.00 H new ATOM 788 N ALA A 86 -32.081 0.143 1.924 1.00 0.00 N ATOM 789 CA ALA A 86 -31.868 1.337 1.060 1.00 0.00 C ATOM 790 C ALA A 86 -30.461 1.892 1.294 1.00 0.00 C ATOM 791 O ALA A 86 -29.763 2.252 0.366 1.00 0.00 O ATOM 792 CB ALA A 86 -32.902 2.410 1.409 1.00 0.00 C ATOM 0 H ALA A 86 -32.673 0.298 2.740 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.978 1.052 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.747 3.284 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.905 2.016 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.792 2.695 2.455 1.00 0.00 H new ATOM 798 N ASP A 87 -30.038 1.961 2.526 1.00 0.00 N ATOM 799 CA ASP A 87 -28.675 2.492 2.816 1.00 0.00 C ATOM 800 C ASP A 87 -27.626 1.556 2.214 1.00 0.00 C ATOM 801 O ASP A 87 -26.588 1.985 1.753 1.00 0.00 O ATOM 802 CB ASP A 87 -28.474 2.578 4.330 1.00 0.00 C ATOM 803 CG ASP A 87 -27.170 3.321 4.629 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.560 3.808 3.691 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.804 3.392 5.790 1.00 0.00 O ATOM 0 H ASP A 87 -30.576 1.673 3.344 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.570 3.485 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.315 3.097 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.442 1.577 4.761 1.00 0.00 H new ATOM 810 N GLN A 88 -27.891 0.280 2.218 1.00 0.00 N ATOM 811 CA GLN A 88 -26.911 -0.687 1.648 1.00 0.00 C ATOM 812 C GLN A 88 -26.877 -0.543 0.126 1.00 0.00 C ATOM 813 O GLN A 88 -25.845 -0.690 -0.500 1.00 0.00 O ATOM 814 CB GLN A 88 -27.331 -2.112 2.017 1.00 0.00 C ATOM 815 CG GLN A 88 -26.273 -3.100 1.524 1.00 0.00 C ATOM 816 CD GLN A 88 -26.792 -4.529 1.691 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.858 -4.860 1.212 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.080 -5.397 2.358 1.00 0.00 N ATOM 0 H GLN A 88 -28.744 -0.136 2.591 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.920 -0.482 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.450 -2.199 3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.297 -2.345 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.039 -2.907 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.348 -2.970 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.185 -5.120 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.419 -6.352 2.476 1.00 0.00 H new ATOM 827 N ALA A 89 -27.998 -0.260 -0.476 1.00 0.00 N ATOM 828 CA ALA A 89 -28.033 -0.108 -1.958 1.00 0.00 C ATOM 829 C ALA A 89 -27.438 1.246 -2.350 1.00 0.00 C ATOM 830 O ALA A 89 -26.769 1.372 -3.358 1.00 0.00 O ATOM 831 CB ALA A 89 -29.481 -0.188 -2.443 1.00 0.00 C ATOM 0 H ALA A 89 -28.893 -0.127 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.449 -0.906 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.508 -0.077 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.905 -1.153 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -30.064 0.609 -1.982 1.00 0.00 H new ATOM 837 N VAL A 90 -27.673 2.260 -1.565 1.00 0.00 N ATOM 838 CA VAL A 90 -27.121 3.605 -1.897 1.00 0.00 C ATOM 839 C VAL A 90 -25.627 3.638 -1.569 1.00 0.00 C ATOM 840 O VAL A 90 -24.869 4.383 -2.156 1.00 0.00 O ATOM 841 CB VAL A 90 -27.847 4.672 -1.076 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.169 6.027 -1.286 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.306 4.757 -1.525 1.00 0.00 C ATOM 0 H VAL A 90 -28.223 2.217 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.265 3.804 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.807 4.406 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.686 6.787 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.129 5.967 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.208 6.293 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.823 5.517 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.347 5.022 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.790 3.792 -1.374 1.00 0.00 H new ATOM 853 N ALA A 91 -25.198 2.836 -0.633 1.00 0.00 N ATOM 854 CA ALA A 91 -23.753 2.825 -0.266 1.00 0.00 C ATOM 855 C ALA A 91 -22.971 1.987 -1.279 1.00 0.00 C ATOM 856 O ALA A 91 -21.804 2.223 -1.524 1.00 0.00 O ATOM 857 CB ALA A 91 -23.587 2.220 1.129 1.00 0.00 C ATOM 0 H ALA A 91 -25.785 2.188 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.372 3.846 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.531 2.211 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.141 2.817 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.970 1.200 1.131 1.00 0.00 H new ATOM 863 N GLU A 92 -23.598 1.005 -1.865 1.00 0.00 N ATOM 864 CA GLU A 92 -22.884 0.151 -2.855 1.00 0.00 C ATOM 865 C GLU A 92 -23.136 0.675 -4.271 1.00 0.00 C ATOM 866 O GLU A 92 -22.214 0.928 -5.022 1.00 0.00 O ATOM 867 CB GLU A 92 -23.394 -1.287 -2.746 1.00 0.00 C ATOM 868 CG GLU A 92 -22.564 -2.194 -3.655 1.00 0.00 C ATOM 869 CD GLU A 92 -23.039 -3.640 -3.506 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.839 -3.892 -2.619 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.595 -4.471 -4.280 1.00 0.00 O ATOM 0 H GLU A 92 -24.574 0.757 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.814 0.178 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.327 -1.630 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.445 -1.334 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.661 -1.874 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.508 -2.119 -3.395 1.00 0.00 H new ATOM 878 N LEU A 93 -24.376 0.837 -4.643 1.00 0.00 N ATOM 879 CA LEU A 93 -24.681 1.341 -6.013 1.00 0.00 C ATOM 880 C LEU A 93 -24.061 2.726 -6.199 1.00 0.00 C ATOM 881 O LEU A 93 -23.584 3.066 -7.264 1.00 0.00 O ATOM 882 CB LEU A 93 -26.196 1.431 -6.197 1.00 0.00 C ATOM 883 CG LEU A 93 -26.816 0.045 -5.998 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.284 0.078 -6.430 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.057 -0.978 -6.845 1.00 0.00 C ATOM 0 H LEU A 93 -25.190 0.643 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.265 0.656 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.619 2.137 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.431 1.807 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.753 -0.236 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.727 -0.908 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -28.824 0.808 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.348 0.357 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.497 -1.965 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.121 -0.699 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.011 -1.000 -6.538 1.00 0.00 H new ATOM 897 N ASN A 94 -24.062 3.531 -5.171 1.00 0.00 N ATOM 898 CA ASN A 94 -23.471 4.893 -5.291 1.00 0.00 C ATOM 899 C ASN A 94 -21.945 4.791 -5.263 1.00 0.00 C ATOM 900 O ASN A 94 -21.369 4.210 -4.364 1.00 0.00 O ATOM 901 CB ASN A 94 -23.948 5.758 -4.123 1.00 0.00 C ATOM 902 CG ASN A 94 -23.685 7.232 -4.436 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.417 7.586 -5.567 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.751 8.113 -3.475 1.00 0.00 N ATOM 0 H ASN A 94 -24.447 3.304 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 94 -23.786 5.346 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.012 5.597 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.428 5.471 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.578 9.098 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.976 7.816 -2.525 1.00 0.00 H new ATOM 911 N GLY A 95 -21.284 5.350 -6.240 1.00 0.00 N ATOM 912 CA GLY A 95 -19.795 5.282 -6.267 1.00 0.00 C ATOM 913 C GLY A 95 -19.357 4.052 -7.064 1.00 0.00 C ATOM 914 O GLY A 95 -18.213 3.644 -7.017 1.00 0.00 O ATOM 0 H GLY A 95 -21.710 5.850 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.387 6.186 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.404 5.229 -5.251 1.00 0.00 H new ATOM 918 N THR A 96 -20.259 3.458 -7.796 1.00 0.00 N ATOM 919 CA THR A 96 -19.896 2.255 -8.597 1.00 0.00 C ATOM 920 C THR A 96 -20.457 2.400 -10.013 1.00 0.00 C ATOM 921 O THR A 96 -21.349 3.188 -10.258 1.00 0.00 O ATOM 922 CB THR A 96 -20.488 1.007 -7.938 1.00 0.00 C ATOM 923 OG1 THR A 96 -21.906 1.062 -8.013 1.00 0.00 O ATOM 924 CG2 THR A 96 -20.054 0.947 -6.473 1.00 0.00 C ATOM 0 H THR A 96 -21.232 3.754 -7.874 1.00 0.00 H new ATOM 0 HA THR A 96 -18.811 2.161 -8.643 1.00 0.00 H new ATOM 0 HB THR A 96 -20.131 0.117 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.216 1.940 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 96 -20.476 0.058 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 96 -18.966 0.905 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.410 1.836 -5.951 1.00 0.00 H new ATOM 932 N GLN A 97 -19.942 1.649 -10.946 1.00 0.00 N ATOM 933 CA GLN A 97 -20.447 1.749 -12.344 1.00 0.00 C ATOM 934 C GLN A 97 -21.127 0.436 -12.739 1.00 0.00 C ATOM 935 O GLN A 97 -21.117 -0.529 -12.002 1.00 0.00 O ATOM 936 CB GLN A 97 -19.277 2.017 -13.292 1.00 0.00 C ATOM 937 CG GLN A 97 -18.724 3.420 -13.032 1.00 0.00 C ATOM 938 CD GLN A 97 -17.542 3.688 -13.967 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.689 4.500 -13.667 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.451 3.037 -15.096 1.00 0.00 N ATOM 0 H GLN A 97 -19.194 0.971 -10.801 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.166 2.566 -12.410 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.495 1.272 -13.142 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -19.606 1.930 -14.327 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.504 4.165 -13.193 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -18.406 3.510 -11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.165 2.355 -15.350 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.666 3.211 -15.723 1.00 0.00 H new ATOM 949 N VAL A 98 -21.717 0.398 -13.902 1.00 0.00 N ATOM 950 CA VAL A 98 -22.400 -0.848 -14.359 1.00 0.00 C ATOM 951 C VAL A 98 -21.483 -1.583 -15.334 1.00 0.00 C ATOM 952 O VAL A 98 -20.290 -1.355 -15.368 1.00 0.00 O ATOM 953 CB VAL A 98 -23.709 -0.500 -15.079 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.821 -1.429 -14.587 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.102 0.955 -14.799 1.00 0.00 C ATOM 0 H VAL A 98 -21.756 1.178 -14.558 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.621 -1.474 -13.494 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.566 -0.627 -16.152 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.752 -1.184 -15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.552 -2.463 -14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.952 -1.303 -13.512 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.033 1.187 -15.317 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.239 1.095 -13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.314 1.619 -15.154 1.00 0.00 H new ATOM 965 N GLU A 99 -22.029 -2.450 -16.143 1.00 0.00 N ATOM 966 CA GLU A 99 -21.178 -3.173 -17.125 1.00 0.00 C ATOM 967 C GLU A 99 -20.275 -2.151 -17.816 1.00 0.00 C ATOM 968 O GLU A 99 -19.199 -2.467 -18.284 1.00 0.00 O ATOM 969 CB GLU A 99 -22.063 -3.864 -18.163 1.00 0.00 C ATOM 970 CG GLU A 99 -22.912 -4.937 -17.478 1.00 0.00 C ATOM 971 CD GLU A 99 -23.673 -5.739 -18.536 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.645 -5.338 -19.688 1.00 0.00 O ATOM 973 OE2 GLU A 99 -24.270 -6.740 -18.176 1.00 0.00 O ATOM 0 H GLU A 99 -23.021 -2.687 -16.165 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.576 -3.928 -16.620 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.707 -3.133 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.446 -4.315 -18.940 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.276 -5.600 -16.892 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -23.613 -4.473 -16.784 1.00 0.00 H new ATOM 980 N SER A 100 -20.713 -0.922 -17.873 1.00 0.00 N ATOM 981 CA SER A 100 -19.894 0.138 -18.520 1.00 0.00 C ATOM 982 C SER A 100 -20.648 1.468 -18.457 1.00 0.00 C ATOM 983 O SER A 100 -20.595 2.268 -19.370 1.00 0.00 O ATOM 984 CB SER A 100 -19.630 -0.236 -19.979 1.00 0.00 C ATOM 985 OG SER A 100 -20.828 -0.718 -20.569 1.00 0.00 O ATOM 0 H SER A 100 -21.607 -0.607 -17.497 1.00 0.00 H new ATOM 0 HA SER A 100 -18.942 0.234 -17.997 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.266 0.632 -20.528 1.00 0.00 H new ATOM 0 HB3 SER A 100 -18.852 -0.998 -20.035 1.00 0.00 H new ATOM 0 HG SER A 100 -20.659 -0.956 -21.504 1.00 0.00 H new ATOM 991 N VAL A 101 -21.350 1.710 -17.383 1.00 0.00 N ATOM 992 CA VAL A 101 -22.108 2.986 -17.259 1.00 0.00 C ATOM 993 C VAL A 101 -22.000 3.505 -15.822 1.00 0.00 C ATOM 994 O VAL A 101 -21.654 2.777 -14.913 1.00 0.00 O ATOM 995 CB VAL A 101 -23.578 2.739 -17.599 1.00 0.00 C ATOM 996 CG1 VAL A 101 -24.404 3.973 -17.228 1.00 0.00 C ATOM 997 CG2 VAL A 101 -23.717 2.464 -19.097 1.00 0.00 C ATOM 0 H VAL A 101 -21.431 1.078 -16.586 1.00 0.00 H new ATOM 0 HA VAL A 101 -21.693 3.724 -17.946 1.00 0.00 H new ATOM 0 HB VAL A 101 -23.940 1.878 -17.037 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -25.452 3.796 -17.471 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.307 4.168 -16.160 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.042 4.835 -17.789 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -24.765 2.288 -19.339 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -23.354 3.324 -19.660 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.131 1.584 -19.361 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.294 4.759 -15.612 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.211 5.325 -14.236 1.00 0.00 C ATOM 1009 C GLN A 102 -23.625 5.577 -13.706 1.00 0.00 C ATOM 1010 O GLN A 102 -24.435 6.213 -14.352 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.438 6.645 -14.273 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.043 6.405 -14.857 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.275 7.727 -14.909 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -19.869 8.786 -14.957 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -17.970 7.710 -14.900 1.00 0.00 N ATOM 0 H GLN A 102 -22.588 5.416 -16.334 1.00 0.00 H new ATOM 0 HA GLN A 102 -21.696 4.621 -13.582 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -21.975 7.376 -14.877 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.357 7.059 -13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.502 5.682 -14.247 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.125 5.980 -15.858 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.472 6.821 -14.860 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.448 8.586 -14.933 1.00 0.00 H new ATOM 1024 N LEU A 103 -23.928 5.083 -12.537 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.290 5.295 -11.970 1.00 0.00 C ATOM 1026 C LEU A 103 -25.214 6.311 -10.828 1.00 0.00 C ATOM 1027 O LEU A 103 -24.171 6.528 -10.246 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.833 3.968 -11.438 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.355 4.053 -11.307 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -27.992 2.808 -11.929 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.736 4.134 -9.827 1.00 0.00 C ATOM 0 H LEU A 103 -23.292 4.542 -11.950 1.00 0.00 H new ATOM 0 HA LEU A 103 -25.953 5.672 -12.748 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.561 3.156 -12.112 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.386 3.743 -10.470 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.714 4.942 -11.825 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.076 2.869 -11.836 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.721 2.749 -12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.633 1.918 -11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.820 4.195 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.376 3.245 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.283 5.020 -9.383 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.313 6.934 -10.501 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.302 7.935 -9.396 1.00 0.00 C ATOM 1045 C LYS A 104 -27.440 7.630 -8.420 1.00 0.00 C ATOM 1046 O LYS A 104 -28.594 7.567 -8.797 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.489 9.338 -9.976 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.272 9.704 -10.827 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.442 11.122 -11.376 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.356 11.399 -12.418 1.00 0.00 C ATOM 1051 NZ LYS A 104 -24.247 12.867 -12.644 1.00 0.00 N ATOM 0 H LYS A 104 -27.218 6.794 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.349 7.884 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.394 9.375 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.614 10.062 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.364 9.641 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.162 8.995 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -26.429 11.234 -11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -25.377 11.848 -10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.400 11.001 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.597 10.893 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -23.509 13.055 -13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -25.158 13.234 -12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -23.998 13.338 -11.751 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.126 7.439 -7.168 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.190 7.137 -6.170 1.00 0.00 C ATOM 1067 C VAL A 105 -28.238 8.250 -5.119 1.00 0.00 C ATOM 1068 O VAL A 105 -27.221 8.687 -4.618 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.884 5.803 -5.486 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.033 5.435 -4.546 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.723 4.713 -6.547 1.00 0.00 C ATOM 0 H VAL A 105 -26.178 7.479 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.154 7.074 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 105 -26.961 5.892 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.815 4.485 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.148 6.212 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.957 5.346 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.505 3.762 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.646 4.624 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.904 4.975 -7.216 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.411 8.711 -4.781 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.522 9.793 -3.763 1.00 0.00 C ATOM 1083 C ASN A 106 -30.580 9.410 -2.726 1.00 0.00 C ATOM 1084 O ASN A 106 -31.288 8.435 -2.880 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.931 11.099 -4.448 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.844 11.516 -5.440 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.735 11.022 -5.389 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.117 12.413 -6.349 1.00 0.00 N ATOM 0 H ASN A 106 -30.297 8.385 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.559 9.927 -3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.881 10.968 -4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.079 11.882 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.400 12.698 -7.015 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.048 12.828 -6.393 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.692 10.169 -1.670 1.00 0.00 N ATOM 1096 CA ILE A 107 -31.704 9.847 -0.625 1.00 0.00 C ATOM 1097 C ILE A 107 -32.775 10.939 -0.599 1.00 0.00 C ATOM 1098 O ILE A 107 -32.478 12.115 -0.677 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.021 9.771 0.742 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -29.811 8.838 0.658 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.010 9.231 1.777 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.098 8.806 2.012 1.00 0.00 C ATOM 0 H ILE A 107 -30.127 10.998 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.168 8.887 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 107 -30.692 10.767 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.131 7.834 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.127 9.181 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -31.524 9.177 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -32.872 9.896 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.340 8.235 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.236 8.142 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -28.765 9.811 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -29.785 8.443 2.776 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.019 10.561 -0.487 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.106 11.580 -0.454 1.00 0.00 C ATOM 1116 C ALA A 108 -34.910 12.493 0.758 1.00 0.00 C ATOM 1117 O ALA A 108 -35.295 13.645 0.748 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.460 10.877 -0.349 1.00 0.00 C ATOM 0 H ALA A 108 -34.329 9.592 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.076 12.175 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.256 11.622 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.599 10.225 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.491 10.283 0.564 1.00 0.00 H new