USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.72 K(o=-0.72,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.341) USER MOD Single : A 19 HIS : no HD1:sc=-0.00968 X(o=-0.0097,f=-0.0097) USER MOD Single : A 22 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-2.6) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.6!) USER MOD Single : A 29 SER OG : rot 23:sc= 0.352 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.71) USER MOD Single : A 39 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.7!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 52 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.1!) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= -1.98 (180deg=-2.04) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.925) USER MOD Single : A 60 SER OG : rot 41:sc= 0.223 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -150:sc= -0.712 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 CYS SG : rot 81:sc= 0.473 USER MOD Single : A 80 MET CE :methyl -130:sc= -0.307 (180deg=-2.71!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.927 11.173 11.667 1.00 0.00 N ATOM 60 CA GLY A 7 4.901 10.270 11.180 1.00 0.00 C ATOM 61 C GLY A 7 3.514 10.879 11.245 1.00 0.00 C ATOM 62 O GLY A 7 3.348 12.018 11.684 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.125 9.993 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.920 9.353 11.768 1.00 0.00 H new ATOM 66 N LEU A 8 2.516 10.121 10.806 1.00 0.00 N ATOM 67 CA LEU A 8 1.135 10.593 10.815 1.00 0.00 C ATOM 68 C LEU A 8 0.219 9.585 11.501 1.00 0.00 C ATOM 69 O LEU A 8 0.479 8.381 11.484 1.00 0.00 O ATOM 70 CB LEU A 8 0.653 10.847 9.385 1.00 0.00 C ATOM 71 CG LEU A 8 0.806 9.680 8.408 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.288 9.721 7.353 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.180 9.708 7.756 1.00 0.00 C ATOM 0 H LEU A 8 2.636 9.177 10.439 1.00 0.00 H new ATOM 0 HA LEU A 8 1.100 11.527 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.399 11.128 9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.198 11.703 8.986 1.00 0.00 H new ATOM 0 HG LEU A 8 0.710 8.748 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.163 8.883 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.262 9.652 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.224 10.657 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.272 8.871 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.305 10.644 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.949 9.629 8.524 1.00 0.00 H new ATOM 85 N THR A 9 -0.856 10.084 12.103 1.00 0.00 N ATOM 86 CA THR A 9 -1.811 9.228 12.795 1.00 0.00 C ATOM 87 C THR A 9 -3.075 9.033 11.965 1.00 0.00 C ATOM 88 O THR A 9 -3.964 9.885 11.960 1.00 0.00 O ATOM 89 CB THR A 9 -2.196 9.810 14.168 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.020 10.027 14.955 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.141 8.874 14.906 1.00 0.00 C ATOM 0 H THR A 9 -1.087 11.077 12.125 1.00 0.00 H new ATOM 0 HA THR A 9 -1.323 8.264 12.942 1.00 0.00 H new ATOM 0 HB THR A 9 -2.704 10.760 14.006 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.273 10.399 15.826 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.399 9.306 15.873 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.048 8.734 14.317 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.654 7.911 15.057 1.00 0.00 H new ATOM 99 N VAL A 10 -3.150 7.906 11.265 1.00 0.00 N ATOM 100 CA VAL A 10 -4.307 7.598 10.432 1.00 0.00 C ATOM 101 C VAL A 10 -4.931 6.265 10.830 1.00 0.00 C ATOM 102 O VAL A 10 -4.228 5.277 11.043 1.00 0.00 O ATOM 103 CB VAL A 10 -3.928 7.551 8.940 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.663 6.731 8.736 1.00 0.00 C ATOM 105 CG2 VAL A 10 -5.077 6.987 8.117 1.00 0.00 C ATOM 0 H VAL A 10 -2.423 7.190 11.258 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.032 8.396 10.589 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.732 8.568 8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.411 6.709 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.843 7.182 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.828 5.714 9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.793 6.961 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.306 5.977 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.957 7.619 8.239 1.00 0.00 H new ATOM 115 N THR A 11 -6.257 6.244 10.927 1.00 0.00 N ATOM 116 CA THR A 11 -6.977 5.033 11.300 1.00 0.00 C ATOM 117 C THR A 11 -7.212 4.139 10.088 1.00 0.00 C ATOM 118 O THR A 11 -7.364 4.624 8.966 1.00 0.00 O ATOM 119 CB THR A 11 -8.333 5.364 11.951 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.128 6.091 13.167 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.118 4.093 12.241 1.00 0.00 C ATOM 0 H THR A 11 -6.854 7.052 10.752 1.00 0.00 H new ATOM 0 HA THR A 11 -6.355 4.505 12.023 1.00 0.00 H new ATOM 0 HB THR A 11 -8.906 5.976 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.995 6.299 13.574 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.072 4.351 12.701 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.298 3.556 11.310 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.547 3.460 12.921 1.00 0.00 H new ATOM 129 N VAL A 12 -7.243 2.831 10.320 1.00 0.00 N ATOM 130 CA VAL A 12 -7.462 1.868 9.247 1.00 0.00 C ATOM 131 C VAL A 12 -8.705 1.026 9.510 1.00 0.00 C ATOM 132 O VAL A 12 -8.782 0.305 10.506 1.00 0.00 O ATOM 133 CB VAL A 12 -6.250 0.934 9.074 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.638 -0.304 8.281 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.102 1.671 8.399 1.00 0.00 C ATOM 0 H VAL A 12 -7.119 2.413 11.242 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.602 2.442 8.331 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.917 0.614 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.769 -0.952 8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.426 -0.842 8.808 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.998 -0.007 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.254 0.996 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.422 2.022 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.807 2.524 9.011 1.00 0.00 H new ATOM 145 N THR A 13 -9.679 1.121 8.610 1.00 0.00 N ATOM 146 CA THR A 13 -10.920 0.368 8.745 1.00 0.00 C ATOM 147 C THR A 13 -10.770 -1.044 8.191 1.00 0.00 C ATOM 148 O THR A 13 -10.529 -1.231 6.997 1.00 0.00 O ATOM 149 CB THR A 13 -12.084 1.070 8.020 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.293 2.373 8.577 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.363 0.254 8.134 1.00 0.00 C ATOM 0 H THR A 13 -9.632 1.712 7.780 1.00 0.00 H new ATOM 0 HA THR A 13 -11.143 0.315 9.811 1.00 0.00 H new ATOM 0 HB THR A 13 -11.823 1.163 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.033 2.814 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.171 0.769 7.615 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.210 -0.727 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.626 0.134 9.185 1.00 0.00 H new ATOM 159 N HIS A 14 -10.914 -2.036 9.064 1.00 0.00 N ATOM 160 CA HIS A 14 -10.795 -3.433 8.660 1.00 0.00 C ATOM 161 C HIS A 14 -11.727 -4.317 9.483 1.00 0.00 C ATOM 162 O HIS A 14 -12.092 -3.974 10.607 1.00 0.00 O ATOM 163 CB HIS A 14 -9.351 -3.909 8.817 1.00 0.00 C ATOM 164 CG HIS A 14 -9.079 -5.225 8.155 1.00 0.00 C ATOM 165 ND1 HIS A 14 -9.062 -6.422 8.839 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.815 -5.528 6.863 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.797 -7.405 7.996 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.643 -6.889 6.790 1.00 0.00 N ATOM 0 H HIS A 14 -11.113 -1.899 10.055 1.00 0.00 H new ATOM 0 HA HIS A 14 -11.083 -3.509 7.611 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.682 -3.157 8.400 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.117 -3.990 9.879 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.228 -6.532 9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.751 -4.830 6.042 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.720 -8.452 8.250 1.00 0.00 H new ATOM 177 N SER A 15 -12.109 -5.456 8.914 1.00 0.00 N ATOM 178 CA SER A 15 -13.002 -6.387 9.593 1.00 0.00 C ATOM 179 C SER A 15 -14.165 -5.646 10.247 1.00 0.00 C ATOM 180 O SER A 15 -14.404 -5.780 11.447 1.00 0.00 O ATOM 181 CB SER A 15 -12.234 -7.187 10.648 1.00 0.00 C ATOM 182 OG SER A 15 -12.816 -8.464 10.843 1.00 0.00 O ATOM 0 H SER A 15 -11.814 -5.756 7.985 1.00 0.00 H new ATOM 0 HA SER A 15 -13.404 -7.074 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.195 -7.301 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.227 -6.639 11.590 1.00 0.00 H new ATOM 0 HG SER A 15 -12.306 -8.956 11.520 1.00 0.00 H new ATOM 188 N ASN A 16 -14.883 -4.864 9.449 1.00 0.00 N ATOM 189 CA ASN A 16 -16.021 -4.100 9.949 1.00 0.00 C ATOM 190 C ASN A 16 -15.641 -3.317 11.203 1.00 0.00 C ATOM 191 O ASN A 16 -16.487 -3.041 12.053 1.00 0.00 O ATOM 192 CB ASN A 16 -17.194 -5.033 10.253 1.00 0.00 C ATOM 193 CG ASN A 16 -17.580 -5.884 9.059 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.627 -5.401 7.927 1.00 0.00 O ATOM 195 ND2 ASN A 16 -17.859 -7.159 9.306 1.00 0.00 N ATOM 0 H ASN A 16 -14.698 -4.742 8.453 1.00 0.00 H new ATOM 0 HA ASN A 16 -16.320 -3.392 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.932 -5.682 11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.054 -4.441 10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.125 -7.780 8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.807 -7.517 10.260 1.00 0.00 H new ATOM 202 N GLU A 17 -14.364 -2.963 11.309 1.00 0.00 N ATOM 203 CA GLU A 17 -13.874 -2.212 12.459 1.00 0.00 C ATOM 204 C GLU A 17 -12.786 -1.226 12.041 1.00 0.00 C ATOM 205 O GLU A 17 -12.493 -1.074 10.855 1.00 0.00 O ATOM 206 CB GLU A 17 -13.330 -3.166 13.525 1.00 0.00 C ATOM 207 CG GLU A 17 -14.406 -4.002 14.198 1.00 0.00 C ATOM 208 CD GLU A 17 -14.038 -4.393 15.616 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.924 -4.920 15.816 1.00 0.00 O ATOM 210 OE2 GLU A 17 -14.864 -4.171 16.526 1.00 0.00 O ATOM 0 H GLU A 17 -13.651 -3.184 10.614 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.709 -1.650 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.598 -3.831 13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.803 -2.587 14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.341 -3.442 14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.582 -4.903 13.610 1.00 0.00 H new ATOM 217 N LYS A 18 -12.192 -0.559 13.024 1.00 0.00 N ATOM 218 CA LYS A 18 -11.136 0.412 12.761 1.00 0.00 C ATOM 219 C LYS A 18 -9.978 0.234 13.737 1.00 0.00 C ATOM 220 O LYS A 18 -10.183 -0.097 14.906 1.00 0.00 O ATOM 221 CB LYS A 18 -11.688 1.836 12.862 1.00 0.00 C ATOM 222 CG LYS A 18 -12.513 2.081 14.114 1.00 0.00 C ATOM 223 CD LYS A 18 -12.418 3.528 14.569 1.00 0.00 C ATOM 224 CE LYS A 18 -13.503 4.384 13.934 1.00 0.00 C ATOM 225 NZ LYS A 18 -13.184 4.724 12.520 1.00 0.00 N ATOM 0 H LYS A 18 -12.424 -0.673 14.011 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.765 0.243 11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.857 2.541 12.841 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.303 2.041 11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.555 1.827 13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.168 1.424 14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.504 3.576 15.655 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.438 3.929 14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.454 3.853 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.625 5.302 14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.751 5.544 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.173 4.954 12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.405 3.912 11.909 1.00 0.00 H new ATOM 239 N HIS A 19 -8.761 0.457 13.252 1.00 0.00 N ATOM 240 CA HIS A 19 -7.569 0.324 14.083 1.00 0.00 C ATOM 241 C HIS A 19 -6.609 1.485 13.847 1.00 0.00 C ATOM 242 O HIS A 19 -6.027 1.613 12.769 1.00 0.00 O ATOM 243 CB HIS A 19 -6.866 -1.002 13.792 1.00 0.00 C ATOM 244 CG HIS A 19 -7.684 -2.205 14.147 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.981 -2.556 15.447 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.270 -3.140 13.364 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.713 -3.656 15.448 1.00 0.00 C ATOM 248 NE2 HIS A 19 -8.903 -4.031 14.196 1.00 0.00 N ATOM 0 H HIS A 19 -8.574 0.731 12.287 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.880 0.341 15.127 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.613 -1.045 12.733 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.927 -1.035 14.345 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.245 -3.179 12.285 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.092 -4.162 16.324 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.433 -4.849 13.896 1.00 0.00 H new ATOM 257 N ASP A 20 -6.449 2.329 14.860 1.00 0.00 N ATOM 258 CA ASP A 20 -5.559 3.480 14.763 1.00 0.00 C ATOM 259 C ASP A 20 -4.110 3.035 14.594 1.00 0.00 C ATOM 260 O ASP A 20 -3.607 2.217 15.366 1.00 0.00 O ATOM 261 CB ASP A 20 -5.693 4.361 16.006 1.00 0.00 C ATOM 262 CG ASP A 20 -5.451 3.592 17.290 1.00 0.00 C ATOM 263 OD1 ASP A 20 -6.224 2.654 17.573 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.488 3.929 18.012 1.00 0.00 O ATOM 0 H ASP A 20 -6.924 2.238 15.758 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.847 4.057 13.885 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.984 5.186 15.941 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.691 4.799 16.031 1.00 0.00 H new ATOM 269 N LEU A 21 -3.445 3.576 13.580 1.00 0.00 N ATOM 270 CA LEU A 21 -2.053 3.233 13.308 1.00 0.00 C ATOM 271 C LEU A 21 -1.210 4.490 13.117 1.00 0.00 C ATOM 272 O LEU A 21 -1.697 5.508 12.624 1.00 0.00 O ATOM 273 CB LEU A 21 -1.959 2.348 12.064 1.00 0.00 C ATOM 274 CG LEU A 21 -2.847 1.104 12.057 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.810 0.429 10.694 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.415 0.133 13.146 1.00 0.00 C ATOM 0 H LEU A 21 -3.847 4.254 12.932 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.665 2.685 14.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.209 2.953 11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.923 2.031 11.946 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.872 1.413 12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.448 -0.455 10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.169 1.123 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.787 0.134 10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.059 -0.746 13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.382 -0.169 12.975 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.495 0.618 14.119 1.00 0.00 H new ATOM 288 N HIS A 22 0.058 4.411 13.508 1.00 0.00 N ATOM 289 CA HIS A 22 0.970 5.542 13.377 1.00 0.00 C ATOM 290 C HIS A 22 1.995 5.288 12.276 1.00 0.00 C ATOM 291 O HIS A 22 2.940 4.520 12.459 1.00 0.00 O ATOM 292 CB HIS A 22 1.683 5.805 14.704 1.00 0.00 C ATOM 293 CG HIS A 22 2.934 6.616 14.560 1.00 0.00 C ATOM 294 ND1 HIS A 22 4.041 6.441 15.364 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.251 7.611 13.699 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.983 7.294 15.004 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.529 8.015 13.995 1.00 0.00 N ATOM 0 H HIS A 22 0.477 3.576 13.918 1.00 0.00 H new ATOM 0 HA HIS A 22 0.384 6.421 13.108 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.000 6.322 15.378 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.930 4.851 15.170 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.120 5.759 16.119 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.616 8.013 12.923 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.959 7.386 15.458 1.00 0.00 H new ATOM 306 N VAL A 23 1.802 5.938 11.133 1.00 0.00 N ATOM 307 CA VAL A 23 2.710 5.783 10.003 1.00 0.00 C ATOM 308 C VAL A 23 4.017 6.530 10.241 1.00 0.00 C ATOM 309 O VAL A 23 4.019 7.664 10.721 1.00 0.00 O ATOM 310 CB VAL A 23 2.072 6.291 8.696 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.831 5.761 7.489 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.605 5.893 8.630 1.00 0.00 C ATOM 0 H VAL A 23 1.025 6.577 10.965 1.00 0.00 H new ATOM 0 HA VAL A 23 2.916 4.717 9.908 1.00 0.00 H new ATOM 0 HB VAL A 23 2.131 7.379 8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.365 6.131 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.866 6.101 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.806 4.671 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.170 6.260 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.521 4.807 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.072 6.327 9.476 1.00 0.00 H new ATOM 322 N THR A 24 5.131 5.888 9.902 1.00 0.00 N ATOM 323 CA THR A 24 6.445 6.491 10.079 1.00 0.00 C ATOM 324 C THR A 24 7.256 6.431 8.790 1.00 0.00 C ATOM 325 O THR A 24 6.981 5.616 7.909 1.00 0.00 O ATOM 326 CB THR A 24 7.236 5.794 11.202 1.00 0.00 C ATOM 327 OG1 THR A 24 7.214 4.375 11.010 1.00 0.00 O ATOM 328 CG2 THR A 24 6.654 6.135 12.566 1.00 0.00 C ATOM 0 H THR A 24 5.148 4.949 9.503 1.00 0.00 H new ATOM 0 HA THR A 24 6.280 7.533 10.353 1.00 0.00 H new ATOM 0 HB THR A 24 8.266 6.149 11.164 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.721 3.940 11.727 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.229 5.631 13.343 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.699 7.213 12.722 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.616 5.805 12.611 1.00 0.00 H new ATOM 336 N SER A 25 8.258 7.298 8.685 1.00 0.00 N ATOM 337 CA SER A 25 9.108 7.345 7.501 1.00 0.00 C ATOM 338 C SER A 25 9.918 6.060 7.362 1.00 0.00 C ATOM 339 O SER A 25 9.923 5.218 8.259 1.00 0.00 O ATOM 340 CB SER A 25 10.049 8.550 7.571 1.00 0.00 C ATOM 341 OG SER A 25 11.039 8.366 8.568 1.00 0.00 O ATOM 0 H SER A 25 8.501 7.978 9.406 1.00 0.00 H new ATOM 0 HA SER A 25 8.465 7.445 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.527 8.699 6.603 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.475 9.452 7.786 1.00 0.00 H new ATOM 0 HG SER A 25 11.629 9.148 8.592 1.00 0.00 H new ATOM 347 N GLN A 26 10.600 5.918 6.230 1.00 0.00 N ATOM 348 CA GLN A 26 11.413 4.735 5.973 1.00 0.00 C ATOM 349 C GLN A 26 12.854 4.956 6.422 1.00 0.00 C ATOM 350 O GLN A 26 13.794 4.522 5.757 1.00 0.00 O ATOM 351 CB GLN A 26 11.379 4.381 4.485 1.00 0.00 C ATOM 352 CG GLN A 26 12.025 5.431 3.595 1.00 0.00 C ATOM 353 CD GLN A 26 11.723 5.215 2.125 1.00 0.00 C ATOM 354 OE1 GLN A 26 12.620 4.928 1.331 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.456 5.353 1.754 1.00 0.00 N ATOM 0 H GLN A 26 10.606 6.606 5.477 1.00 0.00 H new ATOM 0 HA GLN A 26 10.996 3.907 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.886 3.428 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.343 4.243 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.675 6.419 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.104 5.416 3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.745 5.592 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.193 5.220 0.777 1.00 0.00 H new ATOM 364 N GLN A 27 13.018 5.633 7.554 1.00 0.00 N ATOM 365 CA GLN A 27 14.344 5.912 8.091 1.00 0.00 C ATOM 366 C GLN A 27 15.273 6.438 7.002 1.00 0.00 C ATOM 367 O GLN A 27 16.443 6.064 6.935 1.00 0.00 O ATOM 368 CB GLN A 27 14.939 4.650 8.719 1.00 0.00 C ATOM 369 CG GLN A 27 14.518 4.433 10.163 1.00 0.00 C ATOM 370 CD GLN A 27 15.213 5.378 11.123 1.00 0.00 C ATOM 371 OE1 GLN A 27 15.773 6.395 10.714 1.00 0.00 O ATOM 372 NE2 GLN A 27 15.181 5.047 12.408 1.00 0.00 N ATOM 0 H GLN A 27 12.249 5.998 8.116 1.00 0.00 H new ATOM 0 HA GLN A 27 14.243 6.679 8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.640 3.784 8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.026 4.708 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.439 4.565 10.246 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.736 3.404 10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.705 4.194 12.703 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.632 5.645 13.100 1.00 0.00 H new ATOM 381 N GLY A 28 14.742 7.310 6.149 1.00 0.00 N ATOM 382 CA GLY A 28 15.538 7.873 5.073 1.00 0.00 C ATOM 383 C GLY A 28 14.699 8.649 4.077 1.00 0.00 C ATOM 384 O GLY A 28 15.002 8.671 2.885 1.00 0.00 O ATOM 0 H GLY A 28 13.776 7.636 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.299 8.531 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.062 7.070 4.554 1.00 0.00 H new ATOM 388 N SER A 29 13.641 9.287 4.567 1.00 0.00 N ATOM 389 CA SER A 29 12.752 10.064 3.711 1.00 0.00 C ATOM 390 C SER A 29 12.074 11.179 4.501 1.00 0.00 C ATOM 391 O SER A 29 11.541 10.950 5.587 1.00 0.00 O ATOM 392 CB SER A 29 11.696 9.156 3.079 1.00 0.00 C ATOM 393 OG SER A 29 12.190 8.540 1.903 1.00 0.00 O ATOM 0 H SER A 29 13.378 9.281 5.553 1.00 0.00 H new ATOM 0 HA SER A 29 13.352 10.516 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.395 8.391 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.806 9.739 2.841 1.00 0.00 H new ATOM 0 HG SER A 29 13.170 8.527 1.927 1.00 0.00 H new ATOM 399 N SER A 30 12.099 12.387 3.948 1.00 0.00 N ATOM 400 CA SER A 30 11.490 13.540 4.601 1.00 0.00 C ATOM 401 C SER A 30 10.101 13.195 5.128 1.00 0.00 C ATOM 402 O SER A 30 9.714 13.621 6.216 1.00 0.00 O ATOM 403 CB SER A 30 11.402 14.717 3.628 1.00 0.00 C ATOM 404 OG SER A 30 12.585 15.495 3.660 1.00 0.00 O ATOM 0 H SER A 30 12.535 12.593 3.049 1.00 0.00 H new ATOM 0 HA SER A 30 12.119 13.823 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.235 14.345 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.546 15.341 3.884 1.00 0.00 H new ATOM 0 HG SER A 30 12.504 16.240 3.028 1.00 0.00 H new ATOM 410 N GLU A 31 9.354 12.420 4.347 1.00 0.00 N ATOM 411 CA GLU A 31 8.007 12.019 4.734 1.00 0.00 C ATOM 412 C GLU A 31 7.736 10.570 4.337 1.00 0.00 C ATOM 413 O GLU A 31 8.257 10.065 3.343 1.00 0.00 O ATOM 414 CB GLU A 31 6.970 12.939 4.086 1.00 0.00 C ATOM 415 CG GLU A 31 7.168 13.121 2.590 1.00 0.00 C ATOM 416 CD GLU A 31 6.088 13.977 1.959 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.537 14.851 2.660 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.794 13.773 0.762 1.00 0.00 O ATOM 0 H GLU A 31 9.659 12.058 3.444 1.00 0.00 H new ATOM 0 HA GLU A 31 7.928 12.102 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.974 12.533 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.009 13.915 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.141 13.578 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.180 12.144 2.107 1.00 0.00 H new ATOM 425 N PRO A 32 6.900 9.886 5.132 1.00 0.00 N ATOM 426 CA PRO A 32 6.540 8.486 4.884 1.00 0.00 C ATOM 427 C PRO A 32 5.657 8.324 3.652 1.00 0.00 C ATOM 428 O PRO A 32 4.875 9.213 3.315 1.00 0.00 O ATOM 429 CB PRO A 32 5.774 8.088 6.148 1.00 0.00 C ATOM 430 CG PRO A 32 5.229 9.369 6.680 1.00 0.00 C ATOM 431 CD PRO A 32 6.242 10.425 6.333 1.00 0.00 C ATOM 0 HA PRO A 32 7.416 7.868 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.975 7.382 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.430 7.605 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.260 9.596 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.079 9.311 7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.768 11.386 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.953 10.582 7.144 1.00 0.00 H new ATOM 439 N VAL A 33 5.787 7.183 2.982 1.00 0.00 N ATOM 440 CA VAL A 33 4.999 6.904 1.788 1.00 0.00 C ATOM 441 C VAL A 33 4.090 5.698 1.998 1.00 0.00 C ATOM 442 O VAL A 33 4.139 5.044 3.040 1.00 0.00 O ATOM 443 CB VAL A 33 5.902 6.646 0.567 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.763 7.865 0.273 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.767 5.415 0.795 1.00 0.00 C ATOM 0 H VAL A 33 6.431 6.437 3.246 1.00 0.00 H new ATOM 0 HA VAL A 33 4.388 7.787 1.599 1.00 0.00 H new ATOM 0 HB VAL A 33 5.268 6.461 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.394 7.664 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.122 8.721 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.391 8.084 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.399 5.247 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.394 5.569 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.128 4.546 0.953 1.00 0.00 H new ATOM 455 N VAL A 34 3.262 5.407 1.000 1.00 0.00 N ATOM 456 CA VAL A 34 2.343 4.277 1.075 1.00 0.00 C ATOM 457 C VAL A 34 3.066 3.008 1.512 1.00 0.00 C ATOM 458 O VAL A 34 2.530 2.211 2.281 1.00 0.00 O ATOM 459 CB VAL A 34 1.655 4.023 -0.280 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.915 2.694 -0.262 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.709 5.165 -0.619 1.00 0.00 C ATOM 0 H VAL A 34 3.208 5.938 0.130 1.00 0.00 H new ATOM 0 HA VAL A 34 1.586 4.533 1.816 1.00 0.00 H new ATOM 0 HB VAL A 34 2.421 3.974 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.435 2.532 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.621 1.887 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.157 2.710 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.232 4.969 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.054 5.248 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.270 6.098 -0.676 1.00 0.00 H new ATOM 471 N GLN A 35 4.285 2.828 1.015 1.00 0.00 N ATOM 472 CA GLN A 35 5.082 1.655 1.355 1.00 0.00 C ATOM 473 C GLN A 35 5.023 1.371 2.852 1.00 0.00 C ATOM 474 O GLN A 35 4.794 0.236 3.270 1.00 0.00 O ATOM 475 CB GLN A 35 6.535 1.855 0.919 1.00 0.00 C ATOM 476 CG GLN A 35 7.305 0.555 0.755 1.00 0.00 C ATOM 477 CD GLN A 35 7.743 -0.035 2.081 1.00 0.00 C ATOM 478 OE1 GLN A 35 8.695 0.441 2.702 1.00 0.00 O ATOM 479 NE2 GLN A 35 7.050 -1.077 2.524 1.00 0.00 N ATOM 0 H GLN A 35 4.742 3.479 0.376 1.00 0.00 H new ATOM 0 HA GLN A 35 4.665 0.799 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.551 2.399 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.044 2.479 1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.682 -0.168 0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.182 0.733 0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.269 -1.439 1.978 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.299 -1.515 3.411 1.00 0.00 H new ATOM 488 N ASP A 36 5.230 2.409 3.655 1.00 0.00 N ATOM 489 CA ASP A 36 5.199 2.272 5.106 1.00 0.00 C ATOM 490 C ASP A 36 3.792 1.936 5.590 1.00 0.00 C ATOM 491 O ASP A 36 3.608 1.067 6.444 1.00 0.00 O ATOM 492 CB ASP A 36 5.688 3.559 5.772 1.00 0.00 C ATOM 493 CG ASP A 36 5.949 3.380 7.255 1.00 0.00 C ATOM 494 OD1 ASP A 36 4.999 3.541 8.048 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.105 3.081 7.622 1.00 0.00 O ATOM 0 H ASP A 36 5.421 3.355 3.325 1.00 0.00 H new ATOM 0 HA ASP A 36 5.864 1.454 5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.603 3.893 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.945 4.344 5.629 1.00 0.00 H new ATOM 500 N LEU A 37 2.802 2.631 5.042 1.00 0.00 N ATOM 501 CA LEU A 37 1.410 2.408 5.418 1.00 0.00 C ATOM 502 C LEU A 37 1.043 0.933 5.299 1.00 0.00 C ATOM 503 O LEU A 37 0.316 0.394 6.133 1.00 0.00 O ATOM 504 CB LEU A 37 0.482 3.249 4.540 1.00 0.00 C ATOM 505 CG LEU A 37 -0.928 2.695 4.330 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.685 2.652 5.648 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.682 3.531 3.306 1.00 0.00 C ATOM 0 H LEU A 37 2.937 3.354 4.335 1.00 0.00 H new ATOM 0 HA LEU A 37 1.288 2.711 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.398 4.242 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.951 3.372 3.564 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.846 1.677 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.686 2.255 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.154 2.011 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.758 3.659 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.683 3.123 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.755 4.560 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.149 3.510 2.356 1.00 0.00 H new ATOM 519 N ALA A 38 1.554 0.284 4.257 1.00 0.00 N ATOM 520 CA ALA A 38 1.283 -1.130 4.031 1.00 0.00 C ATOM 521 C ALA A 38 1.954 -1.994 5.093 1.00 0.00 C ATOM 522 O ALA A 38 1.411 -3.020 5.504 1.00 0.00 O ATOM 523 CB ALA A 38 1.750 -1.541 2.642 1.00 0.00 C ATOM 0 H ALA A 38 2.157 0.715 3.557 1.00 0.00 H new ATOM 0 HA ALA A 38 0.206 -1.284 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.542 -2.600 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.222 -0.953 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.822 -1.365 2.552 1.00 0.00 H new ATOM 529 N GLN A 39 3.135 -1.573 5.533 1.00 0.00 N ATOM 530 CA GLN A 39 3.879 -2.310 6.548 1.00 0.00 C ATOM 531 C GLN A 39 3.244 -2.135 7.923 1.00 0.00 C ATOM 532 O GLN A 39 3.098 -3.097 8.678 1.00 0.00 O ATOM 533 CB GLN A 39 5.335 -1.844 6.582 1.00 0.00 C ATOM 534 CG GLN A 39 6.238 -2.595 5.616 1.00 0.00 C ATOM 535 CD GLN A 39 6.817 -3.859 6.221 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.919 -3.850 6.769 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.074 -4.955 6.126 1.00 0.00 N ATOM 0 H GLN A 39 3.597 -0.726 5.203 1.00 0.00 H new ATOM 0 HA GLN A 39 3.850 -3.368 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.373 -0.780 6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.722 -1.962 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.672 -2.852 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.052 -1.941 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.166 -4.917 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.411 -5.835 6.516 1.00 0.00 H new ATOM 546 N VAL A 40 2.868 -0.901 8.243 1.00 0.00 N ATOM 547 CA VAL A 40 2.248 -0.600 9.528 1.00 0.00 C ATOM 548 C VAL A 40 1.053 -1.509 9.788 1.00 0.00 C ATOM 549 O VAL A 40 0.788 -1.894 10.927 1.00 0.00 O ATOM 550 CB VAL A 40 1.788 0.868 9.598 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.011 1.124 10.881 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.981 1.806 9.492 1.00 0.00 C ATOM 0 H VAL A 40 2.982 -0.094 7.630 1.00 0.00 H new ATOM 0 HA VAL A 40 3.005 -0.773 10.293 1.00 0.00 H new ATOM 0 HB VAL A 40 1.125 1.063 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.694 2.166 10.913 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.134 0.477 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.647 0.912 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.637 2.839 9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.671 1.612 10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.491 1.640 8.543 1.00 0.00 H new ATOM 562 N VAL A 41 0.333 -1.850 8.724 1.00 0.00 N ATOM 563 CA VAL A 41 -0.835 -2.716 8.836 1.00 0.00 C ATOM 564 C VAL A 41 -0.426 -4.151 9.147 1.00 0.00 C ATOM 565 O VAL A 41 -0.844 -4.720 10.155 1.00 0.00 O ATOM 566 CB VAL A 41 -1.671 -2.700 7.542 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.711 -3.810 7.565 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.332 -1.344 7.351 1.00 0.00 C ATOM 0 H VAL A 41 0.538 -1.540 7.774 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.440 -2.328 9.655 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.005 -2.876 6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.292 -3.783 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.211 -4.775 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.376 -3.668 8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.918 -1.351 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.987 -1.136 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.566 -0.572 7.286 1.00 0.00 H new ATOM 578 N GLU A 42 0.393 -4.730 8.275 1.00 0.00 N ATOM 579 CA GLU A 42 0.858 -6.100 8.457 1.00 0.00 C ATOM 580 C GLU A 42 1.724 -6.219 9.708 1.00 0.00 C ATOM 581 O GLU A 42 1.933 -7.314 10.228 1.00 0.00 O ATOM 582 CB GLU A 42 1.647 -6.562 7.230 1.00 0.00 C ATOM 583 CG GLU A 42 2.058 -8.024 7.286 1.00 0.00 C ATOM 584 CD GLU A 42 3.096 -8.378 6.239 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.020 -7.567 6.023 1.00 0.00 O ATOM 586 OE2 GLU A 42 2.984 -9.466 5.636 1.00 0.00 O ATOM 0 H GLU A 42 0.748 -4.272 7.436 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.016 -6.740 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.044 -6.397 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.540 -5.946 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.455 -8.248 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.177 -8.651 7.146 1.00 0.00 H new ATOM 593 N GLU A 43 2.226 -5.083 10.183 1.00 0.00 N ATOM 594 CA GLU A 43 3.071 -5.060 11.371 1.00 0.00 C ATOM 595 C GLU A 43 2.237 -4.821 12.627 1.00 0.00 C ATOM 596 O GLU A 43 2.564 -5.315 13.706 1.00 0.00 O ATOM 597 CB GLU A 43 4.142 -3.975 11.242 1.00 0.00 C ATOM 598 CG GLU A 43 5.221 -4.304 10.223 1.00 0.00 C ATOM 599 CD GLU A 43 6.346 -5.132 10.812 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.167 -6.358 10.960 1.00 0.00 O ATOM 601 OE2 GLU A 43 7.407 -4.552 11.126 1.00 0.00 O ATOM 0 H GLU A 43 2.062 -4.168 9.764 1.00 0.00 H new ATOM 0 HA GLU A 43 3.558 -6.031 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.664 -3.036 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.608 -3.819 12.215 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.775 -4.845 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.629 -3.377 9.820 1.00 0.00 H new ATOM 608 N VAL A 44 1.159 -4.058 12.477 1.00 0.00 N ATOM 609 CA VAL A 44 0.278 -3.752 13.598 1.00 0.00 C ATOM 610 C VAL A 44 -0.961 -4.640 13.582 1.00 0.00 C ATOM 611 O VAL A 44 -1.203 -5.402 14.519 1.00 0.00 O ATOM 612 CB VAL A 44 -0.163 -2.276 13.579 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.179 -2.008 14.679 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.043 -1.359 13.721 1.00 0.00 C ATOM 0 H VAL A 44 0.875 -3.641 11.591 1.00 0.00 H new ATOM 0 HA VAL A 44 0.847 -3.943 14.508 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.638 -2.069 12.620 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.479 -0.960 14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.054 -2.640 14.528 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.733 -2.231 15.648 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.714 -0.320 13.706 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.548 -1.566 14.664 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.732 -1.534 12.895 1.00 0.00 H new ATOM 624 N ILE A 45 -1.741 -4.539 12.511 1.00 0.00 N ATOM 625 CA ILE A 45 -2.954 -5.335 12.372 1.00 0.00 C ATOM 626 C ILE A 45 -2.634 -6.826 12.358 1.00 0.00 C ATOM 627 O ILE A 45 -3.104 -7.580 13.209 1.00 0.00 O ATOM 628 CB ILE A 45 -3.720 -4.974 11.085 1.00 0.00 C ATOM 629 CG1 ILE A 45 -4.057 -3.482 11.069 1.00 0.00 C ATOM 630 CG2 ILE A 45 -4.986 -5.810 10.971 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.785 -3.041 9.818 1.00 0.00 C ATOM 0 H ILE A 45 -1.554 -3.914 11.727 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.581 -5.108 13.234 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.085 -5.193 10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.670 -3.247 11.939 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.135 -2.908 11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.517 -5.544 10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.723 -6.867 10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.627 -5.619 11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.992 -1.972 9.875 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.165 -3.244 8.945 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.724 -3.588 9.731 1.00 0.00 H new ATOM 643 N GLY A 46 -1.830 -7.245 11.386 1.00 0.00 N ATOM 644 CA GLY A 46 -1.459 -8.644 11.281 1.00 0.00 C ATOM 645 C GLY A 46 -1.873 -9.255 9.957 1.00 0.00 C ATOM 646 O GLY A 46 -1.926 -10.477 9.819 1.00 0.00 O ATOM 0 H GLY A 46 -1.429 -6.640 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.380 -8.741 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.921 -9.202 12.096 1.00 0.00 H new ATOM 650 N VAL A 47 -2.168 -8.403 8.980 1.00 0.00 N ATOM 651 CA VAL A 47 -2.580 -8.866 7.660 1.00 0.00 C ATOM 652 C VAL A 47 -1.509 -8.572 6.616 1.00 0.00 C ATOM 653 O VAL A 47 -0.978 -7.465 6.529 1.00 0.00 O ATOM 654 CB VAL A 47 -3.902 -8.209 7.222 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.203 -8.532 5.767 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.043 -8.657 8.123 1.00 0.00 C ATOM 0 H VAL A 47 -2.129 -7.388 9.078 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.726 -9.944 7.734 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.798 -7.128 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.141 -8.059 5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.397 -8.157 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.288 -9.612 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.970 -8.183 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.149 -9.740 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.829 -8.369 9.152 1.00 0.00 H new ATOM 666 N PRO A 48 -1.182 -9.587 5.802 1.00 0.00 N ATOM 667 CA PRO A 48 -0.172 -9.462 4.747 1.00 0.00 C ATOM 668 C PRO A 48 -0.635 -8.566 3.604 1.00 0.00 C ATOM 669 O PRO A 48 -1.833 -8.434 3.355 1.00 0.00 O ATOM 670 CB PRO A 48 0.011 -10.901 4.259 1.00 0.00 C ATOM 671 CG PRO A 48 -1.276 -11.578 4.584 1.00 0.00 C ATOM 672 CD PRO A 48 -1.774 -10.935 5.849 1.00 0.00 C ATOM 0 HA PRO A 48 0.746 -9.002 5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.216 -10.933 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.850 -11.385 4.759 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.996 -11.457 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.129 -12.649 4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.863 -10.895 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.452 -11.485 6.733 1.00 0.00 H new ATOM 680 N GLN A 49 0.321 -7.954 2.913 1.00 0.00 N ATOM 681 CA GLN A 49 0.009 -7.070 1.796 1.00 0.00 C ATOM 682 C GLN A 49 -0.771 -7.812 0.716 1.00 0.00 C ATOM 683 O GLN A 49 -1.301 -7.201 -0.212 1.00 0.00 O ATOM 684 CB GLN A 49 1.294 -6.487 1.205 1.00 0.00 C ATOM 685 CG GLN A 49 2.102 -5.666 2.197 1.00 0.00 C ATOM 686 CD GLN A 49 3.123 -4.773 1.521 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.025 -4.493 0.326 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.111 -4.320 2.283 1.00 0.00 N ATOM 0 H GLN A 49 1.317 -8.054 3.107 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.611 -6.256 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.914 -7.302 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.039 -5.861 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.425 -5.052 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.613 -6.337 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.154 -4.577 3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.828 -3.715 1.882 1.00 0.00 H new ATOM 697 N SER A 50 -0.836 -9.134 0.842 1.00 0.00 N ATOM 698 CA SER A 50 -1.547 -9.960 -0.126 1.00 0.00 C ATOM 699 C SER A 50 -2.992 -10.185 0.310 1.00 0.00 C ATOM 700 O SER A 50 -3.835 -10.597 -0.487 1.00 0.00 O ATOM 701 CB SER A 50 -0.839 -11.305 -0.298 1.00 0.00 C ATOM 702 OG SER A 50 -0.565 -11.902 0.958 1.00 0.00 O ATOM 0 H SER A 50 -0.405 -9.655 1.605 1.00 0.00 H new ATOM 0 HA SER A 50 -1.551 -9.435 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.461 -11.973 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.092 -11.162 -0.847 1.00 0.00 H new ATOM 0 HG SER A 50 -0.114 -12.761 0.820 1.00 0.00 H new ATOM 708 N PHE A 51 -3.269 -9.912 1.580 1.00 0.00 N ATOM 709 CA PHE A 51 -4.612 -10.085 2.124 1.00 0.00 C ATOM 710 C PHE A 51 -5.275 -8.734 2.374 1.00 0.00 C ATOM 711 O PHE A 51 -6.490 -8.593 2.234 1.00 0.00 O ATOM 712 CB PHE A 51 -4.558 -10.889 3.425 1.00 0.00 C ATOM 713 CG PHE A 51 -4.345 -12.360 3.212 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.302 -12.815 2.421 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.188 -13.288 3.802 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.103 -14.169 2.224 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.993 -14.643 3.608 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.950 -15.084 2.817 1.00 0.00 C ATOM 0 H PHE A 51 -2.582 -9.570 2.252 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.207 -10.632 1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.754 -10.500 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.488 -10.740 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.637 -12.104 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.006 -12.949 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.285 -14.511 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.656 -15.356 4.075 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.797 -16.142 2.663 1.00 0.00 H new ATOM 728 N GLN A 52 -4.469 -7.745 2.746 1.00 0.00 N ATOM 729 CA GLN A 52 -4.978 -6.406 3.017 1.00 0.00 C ATOM 730 C GLN A 52 -5.135 -5.611 1.725 1.00 0.00 C ATOM 731 O GLN A 52 -4.378 -5.799 0.772 1.00 0.00 O ATOM 732 CB GLN A 52 -4.042 -5.666 3.975 1.00 0.00 C ATOM 733 CG GLN A 52 -2.665 -5.396 3.392 1.00 0.00 C ATOM 734 CD GLN A 52 -2.002 -4.176 4.001 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.505 -3.058 3.884 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.867 -4.385 4.657 1.00 0.00 N ATOM 0 H GLN A 52 -3.461 -7.846 2.867 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.959 -6.505 3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.500 -4.718 4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.933 -6.252 4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.030 -6.267 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.752 -5.258 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.486 -5.328 4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.376 -3.602 5.089 1.00 0.00 H new ATOM 745 N LYS A 53 -6.122 -4.722 1.699 1.00 0.00 N ATOM 746 CA LYS A 53 -6.378 -3.897 0.525 1.00 0.00 C ATOM 747 C LYS A 53 -6.708 -2.463 0.929 1.00 0.00 C ATOM 748 O LYS A 53 -7.762 -2.197 1.507 1.00 0.00 O ATOM 749 CB LYS A 53 -7.529 -4.484 -0.295 1.00 0.00 C ATOM 750 CG LYS A 53 -8.052 -3.546 -1.369 1.00 0.00 C ATOM 751 CD LYS A 53 -9.377 -4.028 -1.934 1.00 0.00 C ATOM 752 CE LYS A 53 -9.941 -3.045 -2.949 1.00 0.00 C ATOM 753 NZ LYS A 53 -9.133 -3.013 -4.199 1.00 0.00 N ATOM 0 H LYS A 53 -6.758 -4.555 2.479 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.474 -3.886 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.195 -5.409 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.347 -4.745 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.176 -2.547 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.320 -3.468 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.240 -5.001 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.092 -4.165 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.969 -3.319 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.971 -2.048 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.578 -2.370 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.172 -2.678 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.083 -3.969 -4.605 1.00 0.00 H new ATOM 767 N LEU A 54 -5.800 -1.543 0.620 1.00 0.00 N ATOM 768 CA LEU A 54 -5.995 -0.135 0.950 1.00 0.00 C ATOM 769 C LEU A 54 -6.952 0.527 -0.037 1.00 0.00 C ATOM 770 O LEU A 54 -6.940 0.220 -1.229 1.00 0.00 O ATOM 771 CB LEU A 54 -4.654 0.600 0.949 1.00 0.00 C ATOM 772 CG LEU A 54 -3.922 0.663 2.290 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.849 1.180 3.379 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.371 -0.706 2.662 1.00 0.00 C ATOM 0 H LEU A 54 -4.922 -1.747 0.142 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.432 -0.078 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.999 0.119 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.821 1.619 0.601 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.085 1.355 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.311 1.218 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.195 2.180 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.706 0.513 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.853 -0.642 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.191 -1.419 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.673 -1.038 1.894 1.00 0.00 H new ATOM 786 N ILE A 55 -7.777 1.439 0.468 1.00 0.00 N ATOM 787 CA ILE A 55 -8.737 2.147 -0.369 1.00 0.00 C ATOM 788 C ILE A 55 -8.981 3.560 0.150 1.00 0.00 C ATOM 789 O ILE A 55 -9.510 3.747 1.246 1.00 0.00 O ATOM 790 CB ILE A 55 -10.081 1.399 -0.441 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.845 -0.102 -0.627 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.934 1.950 -1.573 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.085 -0.940 -0.411 1.00 0.00 C ATOM 0 H ILE A 55 -7.799 1.704 1.453 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.306 2.199 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.615 1.551 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.467 -0.280 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.070 -0.428 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.881 1.411 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.126 3.009 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.407 1.825 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.843 -1.992 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.452 -0.792 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.855 -0.641 -1.122 1.00 0.00 H new ATOM 805 N PHE A 56 -8.595 4.551 -0.646 1.00 0.00 N ATOM 806 CA PHE A 56 -8.773 5.949 -0.268 1.00 0.00 C ATOM 807 C PHE A 56 -9.462 6.730 -1.383 1.00 0.00 C ATOM 808 O PHE A 56 -8.924 6.874 -2.481 1.00 0.00 O ATOM 809 CB PHE A 56 -7.421 6.587 0.057 1.00 0.00 C ATOM 810 CG PHE A 56 -7.537 7.911 0.758 1.00 0.00 C ATOM 811 CD1 PHE A 56 -7.675 7.971 2.135 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.507 9.095 0.039 1.00 0.00 C ATOM 813 CE1 PHE A 56 -7.782 9.187 2.782 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.613 10.315 0.681 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.750 10.361 2.055 1.00 0.00 C ATOM 0 H PHE A 56 -8.157 4.413 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.405 5.982 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.846 5.903 0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.860 6.722 -0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.699 7.057 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.400 9.065 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.891 9.220 3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.589 11.231 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.832 11.312 2.559 1.00 0.00 H new ATOM 825 N LYS A 57 -10.657 7.233 -1.093 1.00 0.00 N ATOM 826 CA LYS A 57 -11.422 8.001 -2.069 1.00 0.00 C ATOM 827 C LYS A 57 -11.930 7.102 -3.191 1.00 0.00 C ATOM 828 O LYS A 57 -11.833 7.447 -4.368 1.00 0.00 O ATOM 829 CB LYS A 57 -10.562 9.125 -2.651 1.00 0.00 C ATOM 830 CG LYS A 57 -11.361 10.344 -3.078 1.00 0.00 C ATOM 831 CD LYS A 57 -11.568 11.308 -1.922 1.00 0.00 C ATOM 832 CE LYS A 57 -10.289 12.061 -1.588 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.560 13.282 -0.781 1.00 0.00 N ATOM 0 H LYS A 57 -11.117 7.123 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.281 8.436 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.823 9.427 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.012 8.742 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.842 10.854 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.329 10.028 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.354 12.019 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.907 10.758 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.614 11.405 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.781 12.341 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.664 13.767 -0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.184 13.920 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.022 13.013 0.111 1.00 0.00 H new ATOM 847 N GLY A 58 -12.474 5.947 -2.818 1.00 0.00 N ATOM 848 CA GLY A 58 -12.991 5.018 -3.805 1.00 0.00 C ATOM 849 C GLY A 58 -11.920 4.534 -4.763 1.00 0.00 C ATOM 850 O GLY A 58 -12.221 4.092 -5.872 1.00 0.00 O ATOM 0 H GLY A 58 -12.566 5.639 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.433 4.161 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.789 5.500 -4.370 1.00 0.00 H new ATOM 854 N LYS A 59 -10.665 4.618 -4.335 1.00 0.00 N ATOM 855 CA LYS A 59 -9.544 4.186 -5.162 1.00 0.00 C ATOM 856 C LYS A 59 -8.612 3.268 -4.378 1.00 0.00 C ATOM 857 O LYS A 59 -8.045 3.666 -3.360 1.00 0.00 O ATOM 858 CB LYS A 59 -8.767 5.399 -5.678 1.00 0.00 C ATOM 859 CG LYS A 59 -9.546 6.242 -6.673 1.00 0.00 C ATOM 860 CD LYS A 59 -8.651 7.256 -7.366 1.00 0.00 C ATOM 861 CE LYS A 59 -8.498 8.522 -6.537 1.00 0.00 C ATOM 862 NZ LYS A 59 -7.396 8.404 -5.543 1.00 0.00 N ATOM 0 H LYS A 59 -10.398 4.981 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.944 3.631 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.480 6.023 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.845 5.056 -6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.007 5.594 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.354 6.761 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.670 6.815 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.070 7.506 -8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.303 9.367 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.434 8.732 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.767 8.591 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.999 7.444 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.652 9.095 -5.766 1.00 0.00 H new ATOM 876 N SER A 60 -8.457 2.039 -4.859 1.00 0.00 N ATOM 877 CA SER A 60 -7.595 1.064 -4.201 1.00 0.00 C ATOM 878 C SER A 60 -6.126 1.443 -4.360 1.00 0.00 C ATOM 879 O SER A 60 -5.603 1.496 -5.474 1.00 0.00 O ATOM 880 CB SER A 60 -7.838 -0.333 -4.776 1.00 0.00 C ATOM 881 OG SER A 60 -7.775 -0.320 -6.191 1.00 0.00 O ATOM 0 H SER A 60 -8.917 1.695 -5.702 1.00 0.00 H new ATOM 0 HA SER A 60 -7.838 1.059 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.095 -1.026 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.814 -0.697 -4.456 1.00 0.00 H new ATOM 0 HG SER A 60 -7.041 0.261 -6.480 1.00 0.00 H new ATOM 887 N LEU A 61 -5.465 1.707 -3.238 1.00 0.00 N ATOM 888 CA LEU A 61 -4.055 2.081 -3.250 1.00 0.00 C ATOM 889 C LEU A 61 -3.181 0.900 -3.659 1.00 0.00 C ATOM 890 O LEU A 61 -3.219 -0.160 -3.034 1.00 0.00 O ATOM 891 CB LEU A 61 -3.630 2.592 -1.872 1.00 0.00 C ATOM 892 CG LEU A 61 -4.444 3.757 -1.308 1.00 0.00 C ATOM 893 CD1 LEU A 61 -3.870 4.214 0.023 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.482 4.911 -2.300 1.00 0.00 C ATOM 0 H LEU A 61 -5.883 1.669 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.923 2.877 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.683 1.763 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.585 2.898 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.465 3.414 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.462 5.044 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.896 3.388 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.839 4.539 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.066 5.731 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.466 5.253 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.941 4.576 -3.230 1.00 0.00 H new ATOM 906 N LYS A 62 -2.392 1.090 -4.711 1.00 0.00 N ATOM 907 CA LYS A 62 -1.505 0.042 -5.202 1.00 0.00 C ATOM 908 C LYS A 62 -0.077 0.561 -5.345 1.00 0.00 C ATOM 909 O LYS A 62 0.832 -0.190 -5.697 1.00 0.00 O ATOM 910 CB LYS A 62 -2.004 -0.488 -6.548 1.00 0.00 C ATOM 911 CG LYS A 62 -2.000 0.555 -7.652 1.00 0.00 C ATOM 912 CD LYS A 62 -3.305 1.334 -7.687 1.00 0.00 C ATOM 913 CE LYS A 62 -4.428 0.512 -8.301 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.348 0.487 -9.788 1.00 0.00 N ATOM 0 H LYS A 62 -2.349 1.961 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.506 -0.771 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.380 -1.329 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.017 -0.871 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.168 1.243 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.840 0.068 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.581 1.630 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.168 2.251 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.383 -0.507 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.389 0.925 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.130 -0.083 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.416 1.457 -10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.441 0.069 -10.080 1.00 0.00 H new ATOM 928 N GLU A 63 0.111 1.847 -5.070 1.00 0.00 N ATOM 929 CA GLU A 63 1.428 2.465 -5.168 1.00 0.00 C ATOM 930 C GLU A 63 2.087 2.562 -3.795 1.00 0.00 C ATOM 931 O GLU A 63 1.493 3.069 -2.844 1.00 0.00 O ATOM 932 CB GLU A 63 1.318 3.857 -5.793 1.00 0.00 C ATOM 933 CG GLU A 63 1.173 3.835 -7.305 1.00 0.00 C ATOM 934 CD GLU A 63 1.299 5.215 -7.923 1.00 0.00 C ATOM 935 OE1 GLU A 63 2.439 5.713 -8.032 1.00 0.00 O ATOM 936 OE2 GLU A 63 0.259 5.795 -8.297 1.00 0.00 O ATOM 0 H GLU A 63 -0.632 2.482 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 63 2.049 1.837 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.460 4.373 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.204 4.435 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.934 3.180 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.204 3.410 -7.567 1.00 0.00 H new ATOM 943 N MET A 64 3.319 2.072 -3.701 1.00 0.00 N ATOM 944 CA MET A 64 4.059 2.104 -2.445 1.00 0.00 C ATOM 945 C MET A 64 5.000 3.304 -2.399 1.00 0.00 C ATOM 946 O MET A 64 5.151 3.946 -1.360 1.00 0.00 O ATOM 947 CB MET A 64 4.855 0.810 -2.264 1.00 0.00 C ATOM 948 CG MET A 64 4.008 -0.446 -2.384 1.00 0.00 C ATOM 949 SD MET A 64 3.023 -0.763 -0.908 1.00 0.00 S ATOM 950 CE MET A 64 1.368 -0.735 -1.593 1.00 0.00 C ATOM 0 H MET A 64 3.825 1.649 -4.479 1.00 0.00 H new ATOM 0 HA MET A 64 3.340 2.197 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.650 0.775 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.335 0.822 -1.286 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.346 -0.352 -3.245 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.657 -1.301 -2.573 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.643 -0.916 -0.800 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.177 0.239 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.276 -1.511 -2.353 1.00 0.00 H new ATOM 960 N GLU A 65 5.630 3.601 -3.531 1.00 0.00 N ATOM 961 CA GLU A 65 6.557 4.723 -3.618 1.00 0.00 C ATOM 962 C GLU A 65 5.811 6.052 -3.534 1.00 0.00 C ATOM 963 O GLU A 65 6.405 7.095 -3.258 1.00 0.00 O ATOM 964 CB GLU A 65 7.355 4.655 -4.922 1.00 0.00 C ATOM 965 CG GLU A 65 6.522 4.934 -6.161 1.00 0.00 C ATOM 966 CD GLU A 65 7.372 5.224 -7.383 1.00 0.00 C ATOM 967 OE1 GLU A 65 8.510 5.709 -7.213 1.00 0.00 O ATOM 968 OE2 GLU A 65 6.899 4.965 -8.509 1.00 0.00 O ATOM 0 H GLU A 65 5.515 3.080 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 65 7.246 4.658 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.173 5.374 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.804 3.666 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.881 4.076 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.866 5.783 -5.970 1.00 0.00 H new ATOM 975 N THR A 66 4.504 6.007 -3.776 1.00 0.00 N ATOM 976 CA THR A 66 3.677 7.206 -3.730 1.00 0.00 C ATOM 977 C THR A 66 3.495 7.694 -2.298 1.00 0.00 C ATOM 978 O THR A 66 3.083 6.948 -1.409 1.00 0.00 O ATOM 979 CB THR A 66 2.291 6.956 -4.355 1.00 0.00 C ATOM 980 OG1 THR A 66 2.392 6.945 -5.783 1.00 0.00 O ATOM 981 CG2 THR A 66 1.301 8.025 -3.920 1.00 0.00 C ATOM 0 H THR A 66 3.996 5.153 -4.006 1.00 0.00 H new ATOM 0 HA THR A 66 4.196 7.971 -4.308 1.00 0.00 H new ATOM 0 HB THR A 66 1.931 5.987 -4.010 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.550 7.260 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.330 7.828 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.204 8.011 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.659 9.004 -4.240 1.00 0.00 H new ATOM 989 N PRO A 67 3.809 8.977 -2.065 1.00 0.00 N ATOM 990 CA PRO A 67 3.687 9.594 -0.741 1.00 0.00 C ATOM 991 C PRO A 67 2.233 9.770 -0.315 1.00 0.00 C ATOM 992 O PRO A 67 1.423 10.332 -1.053 1.00 0.00 O ATOM 993 CB PRO A 67 4.359 10.958 -0.922 1.00 0.00 C ATOM 994 CG PRO A 67 4.232 11.253 -2.376 1.00 0.00 C ATOM 995 CD PRO A 67 4.306 9.925 -3.077 1.00 0.00 C ATOM 0 HA PRO A 67 4.139 8.980 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.870 11.723 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.404 10.928 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.289 11.756 -2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.030 11.916 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.691 9.911 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.325 9.688 -3.383 1.00 0.00 H new ATOM 1003 N LEU A 68 1.909 9.287 0.879 1.00 0.00 N ATOM 1004 CA LEU A 68 0.552 9.391 1.404 1.00 0.00 C ATOM 1005 C LEU A 68 0.005 10.803 1.223 1.00 0.00 C ATOM 1006 O LEU A 68 -1.203 11.000 1.093 1.00 0.00 O ATOM 1007 CB LEU A 68 0.526 9.007 2.885 1.00 0.00 C ATOM 1008 CG LEU A 68 0.973 7.583 3.217 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.528 7.514 4.631 1.00 0.00 C ATOM 1010 CD2 LEU A 68 -0.183 6.608 3.048 1.00 0.00 C ATOM 0 H LEU A 68 2.567 8.819 1.502 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.081 8.702 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.163 9.703 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.489 9.144 3.257 1.00 0.00 H new ATOM 0 HG LEU A 68 1.765 7.300 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.841 6.493 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.384 8.183 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.757 7.817 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.153 5.600 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.996 6.888 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.535 6.637 2.017 1.00 0.00 H new ATOM 1022 N SER A 69 0.903 11.783 1.215 1.00 0.00 N ATOM 1023 CA SER A 69 0.510 13.178 1.051 1.00 0.00 C ATOM 1024 C SER A 69 -0.066 13.421 -0.340 1.00 0.00 C ATOM 1025 O SER A 69 -1.036 14.161 -0.502 1.00 0.00 O ATOM 1026 CB SER A 69 1.710 14.098 1.286 1.00 0.00 C ATOM 1027 OG SER A 69 1.302 15.452 1.389 1.00 0.00 O ATOM 0 H SER A 69 1.907 11.637 1.320 1.00 0.00 H new ATOM 0 HA SER A 69 -0.261 13.401 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.227 13.800 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.421 13.990 0.467 1.00 0.00 H new ATOM 0 HG SER A 69 2.087 16.019 1.540 1.00 0.00 H new ATOM 1033 N ALA A 70 0.538 12.791 -1.343 1.00 0.00 N ATOM 1034 CA ALA A 70 0.085 12.936 -2.720 1.00 0.00 C ATOM 1035 C ALA A 70 -1.343 12.428 -2.884 1.00 0.00 C ATOM 1036 O ALA A 70 -2.134 13.000 -3.637 1.00 0.00 O ATOM 1037 CB ALA A 70 1.022 12.198 -3.665 1.00 0.00 C ATOM 0 H ALA A 70 1.343 12.175 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 70 0.097 13.997 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.671 12.315 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.027 12.610 -3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.040 11.139 -3.406 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.668 11.352 -2.177 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.003 10.766 -2.245 1.00 0.00 C ATOM 1045 C LEU A 71 -4.013 11.625 -1.492 1.00 0.00 C ATOM 1046 O LEU A 71 -5.215 11.551 -1.743 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.989 9.350 -1.667 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.028 8.363 -2.332 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.647 7.254 -1.363 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.650 7.781 -3.593 1.00 0.00 C ATOM 0 H LEU A 71 -1.026 10.867 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.301 10.721 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.738 9.414 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.998 8.943 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.122 8.900 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.963 6.561 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.161 7.686 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.544 6.719 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.953 7.081 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.572 7.259 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.872 8.586 -4.294 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.517 12.442 -0.568 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.390 13.305 0.206 1.00 0.00 C ATOM 1064 C GLY A 72 -4.445 12.912 1.669 1.00 0.00 C ATOM 1065 O GLY A 72 -5.034 13.620 2.487 1.00 0.00 O ATOM 0 H GLY A 72 -2.526 12.522 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.044 14.335 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.395 13.271 -0.214 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.833 11.780 1.999 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.816 11.294 3.374 1.00 0.00 C ATOM 1071 C ILE A 73 -2.904 12.148 4.247 1.00 0.00 C ATOM 1072 O ILE A 73 -1.831 12.568 3.816 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.352 9.827 3.447 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.382 8.910 2.785 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.121 9.416 4.893 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.824 7.561 2.389 1.00 0.00 C ATOM 0 H ILE A 73 -3.343 11.182 1.334 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.838 11.362 3.746 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.409 9.732 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.217 8.762 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.780 9.404 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.794 8.377 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.355 10.053 5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.049 9.523 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.610 6.964 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.008 7.699 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.452 7.047 3.275 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.339 12.400 5.478 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.560 13.203 6.413 1.00 0.00 C ATOM 1090 C GLN A 74 -2.880 12.823 7.855 1.00 0.00 C ATOM 1091 O GLN A 74 -3.919 12.224 8.133 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.836 14.692 6.192 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.647 15.584 6.509 1.00 0.00 C ATOM 1094 CD GLN A 74 -2.062 16.960 6.992 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.406 17.142 8.161 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -2.032 17.937 6.094 1.00 0.00 N ATOM 0 H GLN A 74 -4.226 12.060 5.850 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.504 13.005 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.131 14.848 5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.681 14.992 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.032 15.106 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.027 15.687 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.740 17.741 5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.301 18.884 6.361 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.981 13.175 8.768 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.168 12.871 10.182 1.00 0.00 C ATOM 1107 C ASP A 75 -3.538 13.340 10.662 1.00 0.00 C ATOM 1108 O ASP A 75 -3.727 14.513 10.981 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.068 13.529 11.016 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.857 14.985 10.650 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.599 15.842 11.174 1.00 0.00 O ATOM 1112 OD2 ASP A 75 0.050 15.268 9.839 1.00 0.00 O ATOM 0 H ASP A 75 -1.116 13.671 8.554 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.110 11.790 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.325 13.457 12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.135 12.983 10.877 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.492 12.415 10.709 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.833 12.754 11.150 1.00 0.00 C ATOM 1119 C GLY A 76 -6.888 12.399 10.121 1.00 0.00 C ATOM 1120 O GLY A 76 -7.878 13.115 9.965 1.00 0.00 O ATOM 0 H GLY A 76 -4.360 11.437 10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.049 12.232 12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.883 13.822 11.364 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.677 11.293 9.417 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.617 10.846 8.395 1.00 0.00 C ATOM 1126 C CYS A 77 -8.077 9.417 8.668 1.00 0.00 C ATOM 1127 O CYS A 77 -7.641 8.787 9.632 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.977 10.933 7.009 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.634 12.621 6.460 1.00 0.00 S ATOM 0 H CYS A 77 -5.864 10.689 9.535 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.487 11.501 8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -6.045 10.368 7.015 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.636 10.454 6.285 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.526 13.036 6.998 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.959 8.911 7.812 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.480 7.558 7.962 1.00 0.00 C ATOM 1137 C ARG A 78 -9.387 6.791 6.646 1.00 0.00 C ATOM 1138 O ARG A 78 -10.074 7.114 5.677 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.932 7.597 8.440 1.00 0.00 C ATOM 1140 CG ARG A 78 -11.074 7.663 9.952 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.481 8.070 10.363 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.619 9.520 10.476 1.00 0.00 N ATOM 1143 CZ ARG A 78 -12.150 10.225 11.499 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -11.514 9.617 12.492 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -12.315 11.541 11.531 1.00 0.00 N ATOM 0 H ARG A 78 -9.328 9.418 7.007 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.874 7.043 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.428 8.462 7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.450 6.711 8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.835 6.691 10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.355 8.377 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.196 7.693 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.728 7.607 11.318 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.102 10.018 9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.384 8.606 12.471 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.155 10.161 13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.803 12.013 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.954 12.081 12.317 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.533 5.773 6.619 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.350 4.960 5.423 1.00 0.00 C ATOM 1161 C VAL A 79 -9.106 3.640 5.535 1.00 0.00 C ATOM 1162 O VAL A 79 -9.201 3.058 6.615 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.860 4.665 5.167 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.689 3.835 3.904 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.069 5.961 5.074 1.00 0.00 C ATOM 0 H VAL A 79 -7.957 5.492 7.412 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.748 5.534 4.586 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.472 4.089 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.630 3.637 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.222 2.891 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.092 4.382 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.018 5.734 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.456 6.565 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.165 6.514 6.009 1.00 0.00 H new ATOM 1175 N MET A 80 -9.642 3.174 4.412 1.00 0.00 N ATOM 1176 CA MET A 80 -10.388 1.922 4.384 1.00 0.00 C ATOM 1177 C MET A 80 -9.478 0.754 4.017 1.00 0.00 C ATOM 1178 O MET A 80 -8.644 0.863 3.117 1.00 0.00 O ATOM 1179 CB MET A 80 -11.544 2.015 3.386 1.00 0.00 C ATOM 1180 CG MET A 80 -12.177 0.671 3.063 1.00 0.00 C ATOM 1181 SD MET A 80 -13.906 0.818 2.572 1.00 0.00 S ATOM 1182 CE MET A 80 -14.436 -0.889 2.683 1.00 0.00 C ATOM 0 H MET A 80 -9.574 3.645 3.510 1.00 0.00 H new ATOM 0 HA MET A 80 -10.791 1.746 5.381 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.308 2.680 3.788 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.181 2.468 2.463 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.615 0.192 2.261 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.105 0.021 3.935 1.00 0.00 H new ATOM 0 HE1 MET A 80 -14.947 -1.172 1.763 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.567 -1.531 2.828 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.117 -1.004 3.526 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.642 -0.361 4.720 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.834 -1.550 4.468 1.00 0.00 C ATOM 1194 C LEU A 81 -9.716 -2.784 4.307 1.00 0.00 C ATOM 1195 O LEU A 81 -10.606 -3.033 5.121 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.839 -1.765 5.610 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.830 -2.897 5.416 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.794 -2.516 4.370 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -6.155 -3.242 6.736 1.00 0.00 C ATOM 0 H LEU A 81 -10.327 -0.467 5.469 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.284 -1.396 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.289 -0.837 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.401 -1.959 6.524 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.366 -3.778 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.085 -3.334 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.291 -2.319 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.263 -1.621 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.440 -4.050 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.633 -2.365 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.908 -3.559 7.458 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.462 -3.553 3.254 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.230 -4.763 2.989 1.00 0.00 C ATOM 1213 C ILE A 82 -9.325 -5.989 2.935 1.00 0.00 C ATOM 1214 O ILE A 82 -8.323 -6.002 2.222 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.010 -4.655 1.666 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.069 -3.554 1.760 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.656 -5.989 1.321 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.920 -3.426 0.516 1.00 0.00 C ATOM 0 H ILE A 82 -8.730 -3.360 2.570 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.938 -4.874 3.811 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.311 -4.395 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.716 -3.755 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.575 -2.602 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.204 -5.896 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.884 -6.751 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.344 -6.277 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.648 -2.627 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.284 -3.194 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.442 -4.365 0.334 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.687 -7.019 3.693 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.898 -8.237 3.715 1.00 0.00 C ATOM 1232 C GLY A 83 -9.308 -9.173 4.835 1.00 0.00 C ATOM 1233 O GLY A 83 -10.374 -9.013 5.430 1.00 0.00 O ATOM 0 H GLY A 83 -10.512 -7.032 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.002 -8.751 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.844 -7.982 3.826 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.460 -10.155 5.123 1.00 0.00 N ATOM 1238 CA LYS A 84 -8.738 -11.121 6.179 1.00 0.00 C ATOM 1239 C LYS A 84 -7.504 -11.351 7.045 1.00 0.00 C ATOM 1240 O LYS A 84 -6.397 -10.949 6.686 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.205 -12.447 5.574 1.00 0.00 C ATOM 1242 CG LYS A 84 -10.664 -12.445 5.153 1.00 0.00 C ATOM 1243 CD LYS A 84 -11.591 -12.546 6.353 1.00 0.00 C ATOM 1244 CE LYS A 84 -11.572 -13.943 6.955 1.00 0.00 C ATOM 1245 NZ LYS A 84 -12.713 -14.161 7.886 1.00 0.00 N ATOM 0 H LYS A 84 -7.574 -10.303 4.639 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.531 -10.716 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.586 -12.679 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.047 -13.244 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.883 -11.532 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.850 -13.280 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.291 -11.819 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.607 -12.292 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.609 -14.683 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.634 -14.096 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.664 -15.124 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.664 -13.471 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.609 -14.040 7.372 1.00 0.00 H new