USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 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 Set 1.1: A 35 GLN : amide:sc= -2.79! C(o=-3!,f=-2.3!) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.194 X(o=-3,f=-2.8) 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 72:sc= 0.169 USER MOD Single : A 14 HIS : no HE2:sc= -2.67! K(o=-2.7!,f=-2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0667 K(o=-0.067,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc=-0.00146 (180deg=-0.141) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -5.64! C(o=-5.6!,f=-7.2!) 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= -0.475 K(o=-0.47,f=-2.4) USER MOD Single : A 27 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00951 K(o=-0.0095,f=-1.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.907 K(o=-0.91,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.278 (180deg=-0.278) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.966 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 -89:sc= -3.78! USER MOD Single : A 80 MET CE :methyl -159:sc= 0 (180deg=-0.105) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.871 11.273 11.319 1.00 0.00 N ATOM 60 CA GLY A 7 4.841 10.359 10.862 1.00 0.00 C ATOM 61 C GLY A 7 3.458 10.978 10.901 1.00 0.00 C ATOM 62 O GLY A 7 3.318 12.194 11.042 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.066 10.043 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.853 9.463 11.483 1.00 0.00 H new ATOM 66 N LEU A 8 2.433 10.143 10.774 1.00 0.00 N ATOM 67 CA LEU A 8 1.053 10.615 10.794 1.00 0.00 C ATOM 68 C LEU A 8 0.140 9.603 11.479 1.00 0.00 C ATOM 69 O LEU A 8 0.393 8.398 11.443 1.00 0.00 O ATOM 70 CB LEU A 8 0.563 10.879 9.369 1.00 0.00 C ATOM 71 CG LEU A 8 0.720 9.722 8.381 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.368 9.775 7.320 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.098 9.755 7.736 1.00 0.00 C ATOM 0 H LEU A 8 2.532 9.135 10.656 1.00 0.00 H new ATOM 0 HA LEU A 8 1.022 11.546 11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.491 11.152 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.100 11.742 8.975 1.00 0.00 H new ATOM 0 HG LEU A 8 0.619 8.785 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.240 8.944 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.345 9.702 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.299 10.717 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.192 8.925 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.227 10.696 7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.863 9.668 8.507 1.00 0.00 H new ATOM 85 N THR A 9 -0.924 10.100 12.102 1.00 0.00 N ATOM 86 CA THR A 9 -1.875 9.240 12.794 1.00 0.00 C ATOM 87 C THR A 9 -3.112 8.989 11.940 1.00 0.00 C ATOM 88 O THR A 9 -4.028 9.811 11.899 1.00 0.00 O ATOM 89 CB THR A 9 -2.310 9.851 14.139 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.157 10.196 14.916 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.181 8.879 14.920 1.00 0.00 C ATOM 0 H THR A 9 -1.148 11.094 12.141 1.00 0.00 H new ATOM 0 HA THR A 9 -1.367 8.294 12.980 1.00 0.00 H new ATOM 0 HB THR A 9 -2.892 10.749 13.933 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.442 10.585 15.769 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.475 9.334 15.866 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.072 8.641 14.339 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.621 7.965 15.116 1.00 0.00 H new ATOM 99 N VAL A 10 -3.134 7.848 11.258 1.00 0.00 N ATOM 100 CA VAL A 10 -4.260 7.488 10.405 1.00 0.00 C ATOM 101 C VAL A 10 -4.856 6.147 10.818 1.00 0.00 C ATOM 102 O VAL A 10 -4.130 5.196 11.111 1.00 0.00 O ATOM 103 CB VAL A 10 -3.843 7.418 8.924 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.558 6.618 8.769 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.960 6.816 8.085 1.00 0.00 C ATOM 0 H VAL A 10 -2.384 7.157 11.280 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.011 8.269 10.526 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.657 8.431 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.278 6.579 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.761 7.096 9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.713 5.605 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.649 6.774 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.179 5.809 8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.854 7.433 8.172 1.00 0.00 H new ATOM 115 N THR A 11 -6.183 6.077 10.840 1.00 0.00 N ATOM 116 CA THR A 11 -6.878 4.853 11.219 1.00 0.00 C ATOM 117 C THR A 11 -7.179 3.992 9.997 1.00 0.00 C ATOM 118 O THR A 11 -7.454 4.508 8.914 1.00 0.00 O ATOM 119 CB THR A 11 -8.196 5.159 11.955 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.928 5.900 13.150 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.933 3.874 12.302 1.00 0.00 C ATOM 0 H THR A 11 -6.798 6.854 10.600 1.00 0.00 H new ATOM 0 HA THR A 11 -6.215 4.308 11.891 1.00 0.00 H new ATOM 0 HB THR A 11 -8.827 5.753 11.294 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.771 6.092 13.612 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.861 4.115 12.821 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.161 3.327 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.306 3.258 12.947 1.00 0.00 H new ATOM 129 N VAL A 12 -7.127 2.676 10.179 1.00 0.00 N ATOM 130 CA VAL A 12 -7.396 1.743 9.091 1.00 0.00 C ATOM 131 C VAL A 12 -8.655 0.928 9.365 1.00 0.00 C ATOM 132 O VAL A 12 -8.727 0.186 10.345 1.00 0.00 O ATOM 133 CB VAL A 12 -6.213 0.781 8.871 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.612 -0.349 7.934 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.008 1.535 8.329 1.00 0.00 C ATOM 0 H VAL A 12 -6.901 2.232 11.069 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.542 2.340 8.191 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.937 0.344 9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.764 -1.019 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.444 -0.904 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.914 0.065 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.181 0.840 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.268 2.000 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.710 2.305 9.041 1.00 0.00 H new ATOM 145 N THR A 13 -9.648 1.072 8.493 1.00 0.00 N ATOM 146 CA THR A 13 -10.906 0.350 8.641 1.00 0.00 C ATOM 147 C THR A 13 -10.773 -1.090 8.158 1.00 0.00 C ATOM 148 O THR A 13 -10.934 -1.375 6.971 1.00 0.00 O ATOM 149 CB THR A 13 -12.043 1.038 7.862 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.088 2.431 8.189 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.384 0.393 8.180 1.00 0.00 C ATOM 0 H THR A 13 -9.605 1.682 7.677 1.00 0.00 H new ATOM 0 HA THR A 13 -11.150 0.353 9.703 1.00 0.00 H new ATOM 0 HB THR A 13 -11.846 0.922 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.322 2.887 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.172 0.895 7.618 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.356 -0.661 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.586 0.482 9.247 1.00 0.00 H new ATOM 159 N HIS A 14 -10.479 -1.995 9.086 1.00 0.00 N ATOM 160 CA HIS A 14 -10.327 -3.408 8.754 1.00 0.00 C ATOM 161 C HIS A 14 -11.340 -4.257 9.515 1.00 0.00 C ATOM 162 O HIS A 14 -11.768 -3.896 10.612 1.00 0.00 O ATOM 163 CB HIS A 14 -8.907 -3.878 9.074 1.00 0.00 C ATOM 164 CG HIS A 14 -8.550 -5.183 8.433 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.389 -6.353 9.145 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.323 -5.500 7.136 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.078 -7.332 8.315 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.032 -6.841 7.090 1.00 0.00 N ATOM 0 H HIS A 14 -10.341 -1.776 10.073 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.510 -3.527 7.686 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.199 -3.116 8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.799 -3.972 10.155 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.494 -6.448 10.155 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.363 -4.824 6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.893 -8.360 8.591 1.00 0.00 H new ATOM 177 N SER A 15 -11.720 -5.386 8.926 1.00 0.00 N ATOM 178 CA SER A 15 -12.686 -6.285 9.546 1.00 0.00 C ATOM 179 C SER A 15 -13.861 -5.502 10.126 1.00 0.00 C ATOM 180 O SER A 15 -14.324 -5.784 11.230 1.00 0.00 O ATOM 181 CB SER A 15 -12.015 -7.109 10.647 1.00 0.00 C ATOM 182 OG SER A 15 -11.273 -8.184 10.098 1.00 0.00 O ATOM 0 H SER A 15 -11.373 -5.700 8.020 1.00 0.00 H new ATOM 0 HA SER A 15 -13.064 -6.959 8.777 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.355 -6.470 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.772 -7.496 11.329 1.00 0.00 H new ATOM 0 HG SER A 15 -10.852 -8.694 10.821 1.00 0.00 H new ATOM 188 N ASN A 16 -14.338 -4.518 9.371 1.00 0.00 N ATOM 189 CA ASN A 16 -15.459 -3.693 9.809 1.00 0.00 C ATOM 190 C ASN A 16 -15.183 -3.086 11.181 1.00 0.00 C ATOM 191 O ASN A 16 -16.089 -2.949 12.003 1.00 0.00 O ATOM 192 CB ASN A 16 -16.743 -4.524 9.855 1.00 0.00 C ATOM 193 CG ASN A 16 -17.237 -4.902 8.472 1.00 0.00 C ATOM 194 OD1 ASN A 16 -16.448 -5.054 7.539 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.548 -5.055 8.333 1.00 0.00 N ATOM 0 H ASN A 16 -13.966 -4.272 8.453 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.585 -2.882 9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.566 -5.430 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.519 -3.961 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.938 -5.309 7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -19.165 -4.919 9.134 1.00 0.00 H new ATOM 202 N GLU A 17 -13.927 -2.723 11.421 1.00 0.00 N ATOM 203 CA GLU A 17 -13.533 -2.131 12.693 1.00 0.00 C ATOM 204 C GLU A 17 -12.560 -0.975 12.478 1.00 0.00 C ATOM 205 O GLU A 17 -12.067 -0.762 11.370 1.00 0.00 O ATOM 206 CB GLU A 17 -12.895 -3.187 13.598 1.00 0.00 C ATOM 207 CG GLU A 17 -13.886 -4.207 14.134 1.00 0.00 C ATOM 208 CD GLU A 17 -13.485 -4.750 15.492 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.939 -3.975 16.305 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.718 -5.952 15.742 1.00 0.00 O ATOM 0 H GLU A 17 -13.165 -2.829 10.751 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.430 -1.743 13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.116 -3.708 13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.409 -2.689 14.437 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.872 -3.747 14.207 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.971 -5.032 13.427 1.00 0.00 H new ATOM 217 N LYS A 18 -12.287 -0.232 13.544 1.00 0.00 N ATOM 218 CA LYS A 18 -11.373 0.902 13.475 1.00 0.00 C ATOM 219 C LYS A 18 -10.094 0.618 14.257 1.00 0.00 C ATOM 220 O LYS A 18 -10.141 0.267 15.436 1.00 0.00 O ATOM 221 CB LYS A 18 -12.048 2.162 14.020 1.00 0.00 C ATOM 222 CG LYS A 18 -13.296 2.563 13.253 1.00 0.00 C ATOM 223 CD LYS A 18 -13.710 3.991 13.570 1.00 0.00 C ATOM 224 CE LYS A 18 -14.504 4.607 12.428 1.00 0.00 C ATOM 225 NZ LYS A 18 -14.641 6.082 12.581 1.00 0.00 N ATOM 0 H LYS A 18 -12.686 -0.395 14.468 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.111 1.062 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.310 2.000 15.065 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.335 2.986 13.994 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.114 2.465 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.111 1.883 13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.310 4.004 14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.823 4.594 13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.012 4.384 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.494 4.152 12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.956 6.497 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.341 6.291 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.722 6.490 12.848 1.00 0.00 H new ATOM 239 N HIS A 19 -8.953 0.775 13.593 1.00 0.00 N ATOM 240 CA HIS A 19 -7.661 0.537 14.227 1.00 0.00 C ATOM 241 C HIS A 19 -6.698 1.687 13.946 1.00 0.00 C ATOM 242 O HIS A 19 -6.183 1.821 12.836 1.00 0.00 O ATOM 243 CB HIS A 19 -7.060 -0.779 13.733 1.00 0.00 C ATOM 244 CG HIS A 19 -7.892 -1.979 14.066 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.884 -2.579 15.307 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.761 -2.691 13.311 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.711 -3.609 15.301 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.257 -3.698 14.102 1.00 0.00 N ATOM 0 H HIS A 19 -8.897 1.066 12.617 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.819 0.473 15.304 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.929 -0.726 12.652 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.068 -0.902 14.168 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.017 -2.502 12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.907 -4.267 16.135 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.937 -4.401 13.811 1.00 0.00 H new ATOM 257 N ASP A 20 -6.461 2.515 14.958 1.00 0.00 N ATOM 258 CA ASP A 20 -5.560 3.653 14.820 1.00 0.00 C ATOM 259 C ASP A 20 -4.116 3.187 14.667 1.00 0.00 C ATOM 260 O ASP A 20 -3.595 2.457 15.511 1.00 0.00 O ATOM 261 CB ASP A 20 -5.685 4.579 16.030 1.00 0.00 C ATOM 262 CG ASP A 20 -7.112 5.034 16.266 1.00 0.00 C ATOM 263 OD1 ASP A 20 -8.019 4.176 16.253 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.322 6.249 16.465 1.00 0.00 O ATOM 0 H ASP A 20 -6.881 2.419 15.883 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.843 4.202 13.922 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.320 4.063 16.918 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.048 5.451 15.884 1.00 0.00 H new ATOM 269 N LEU A 21 -3.474 3.613 13.584 1.00 0.00 N ATOM 270 CA LEU A 21 -2.089 3.239 13.320 1.00 0.00 C ATOM 271 C LEU A 21 -1.225 4.475 13.093 1.00 0.00 C ATOM 272 O LEU A 21 -1.690 5.481 12.554 1.00 0.00 O ATOM 273 CB LEU A 21 -2.013 2.319 12.100 1.00 0.00 C ATOM 274 CG LEU A 21 -3.043 1.191 12.045 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.956 0.453 10.718 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.844 0.229 13.207 1.00 0.00 C ATOM 0 H LEU A 21 -3.890 4.217 12.875 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.709 2.708 14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.123 2.928 11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.017 1.877 12.065 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.038 1.629 12.129 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.697 -0.346 10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.150 1.149 9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.959 0.027 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.586 -0.567 13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.844 -0.202 13.155 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.959 0.767 14.148 1.00 0.00 H new ATOM 288 N HIS A 22 0.036 4.394 13.506 1.00 0.00 N ATOM 289 CA HIS A 22 0.967 5.505 13.345 1.00 0.00 C ATOM 290 C HIS A 22 1.951 5.230 12.213 1.00 0.00 C ATOM 291 O HIS A 22 2.844 4.393 12.342 1.00 0.00 O ATOM 292 CB HIS A 22 1.727 5.754 14.649 1.00 0.00 C ATOM 293 CG HIS A 22 2.992 6.534 14.464 1.00 0.00 C ATOM 294 ND1 HIS A 22 4.051 6.470 15.346 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.366 7.398 13.492 1.00 0.00 C ATOM 296 CE1 HIS A 22 5.020 7.262 14.924 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.630 7.836 13.800 1.00 0.00 N ATOM 0 H HIS A 22 0.436 3.570 13.955 1.00 0.00 H new ATOM 0 HA HIS A 22 0.391 6.396 13.093 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.078 6.289 15.342 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.965 4.795 15.110 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.081 5.900 16.192 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.779 7.689 12.633 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.970 7.414 15.415 1.00 0.00 H new ATOM 306 N VAL A 23 1.782 5.941 11.102 1.00 0.00 N ATOM 307 CA VAL A 23 2.655 5.774 9.947 1.00 0.00 C ATOM 308 C VAL A 23 3.946 6.567 10.115 1.00 0.00 C ATOM 309 O VAL A 23 3.930 7.711 10.570 1.00 0.00 O ATOM 310 CB VAL A 23 1.958 6.217 8.647 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.746 5.751 7.432 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.532 5.690 8.602 1.00 0.00 C ATOM 0 H VAL A 23 1.048 6.638 10.978 1.00 0.00 H new ATOM 0 HA VAL A 23 2.891 4.712 9.879 1.00 0.00 H new ATOM 0 HB VAL A 23 1.920 7.306 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.238 6.073 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.747 6.182 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.819 4.663 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.054 6.012 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.545 4.601 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.027 6.079 9.453 1.00 0.00 H new ATOM 322 N THR A 24 5.065 5.953 9.742 1.00 0.00 N ATOM 323 CA THR A 24 6.365 6.601 9.852 1.00 0.00 C ATOM 324 C THR A 24 7.168 6.443 8.566 1.00 0.00 C ATOM 325 O THR A 24 6.839 5.617 7.715 1.00 0.00 O ATOM 326 CB THR A 24 7.181 6.029 11.027 1.00 0.00 C ATOM 327 OG1 THR A 24 7.304 4.609 10.892 1.00 0.00 O ATOM 328 CG2 THR A 24 6.522 6.362 12.356 1.00 0.00 C ATOM 0 H THR A 24 5.096 5.007 9.361 1.00 0.00 H new ATOM 0 HA THR A 24 6.176 7.659 10.032 1.00 0.00 H new ATOM 0 HB THR A 24 8.172 6.483 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.825 4.253 11.642 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.116 5.948 13.171 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.456 7.444 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.520 5.933 12.383 1.00 0.00 H new ATOM 336 N SER A 25 8.224 7.240 8.431 1.00 0.00 N ATOM 337 CA SER A 25 9.073 7.190 7.246 1.00 0.00 C ATOM 338 C SER A 25 9.962 5.951 7.267 1.00 0.00 C ATOM 339 O SER A 25 10.009 5.225 8.259 1.00 0.00 O ATOM 340 CB SER A 25 9.936 8.450 7.158 1.00 0.00 C ATOM 341 OG SER A 25 10.769 8.578 8.297 1.00 0.00 O ATOM 0 H SER A 25 8.512 7.928 9.127 1.00 0.00 H new ATOM 0 HA SER A 25 8.428 7.138 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.549 8.412 6.258 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.296 9.328 7.071 1.00 0.00 H new ATOM 0 HG SER A 25 11.312 9.390 8.216 1.00 0.00 H new ATOM 347 N GLN A 26 10.666 5.718 6.164 1.00 0.00 N ATOM 348 CA GLN A 26 11.554 4.566 6.055 1.00 0.00 C ATOM 349 C GLN A 26 12.954 4.909 6.552 1.00 0.00 C ATOM 350 O GLN A 26 13.951 4.463 5.984 1.00 0.00 O ATOM 351 CB GLN A 26 11.619 4.081 4.605 1.00 0.00 C ATOM 352 CG GLN A 26 10.270 3.669 4.040 1.00 0.00 C ATOM 353 CD GLN A 26 9.489 4.841 3.480 1.00 0.00 C ATOM 354 OE1 GLN A 26 8.475 5.254 4.045 1.00 0.00 O ATOM 355 NE2 GLN A 26 9.958 5.386 2.363 1.00 0.00 N ATOM 0 H GLN A 26 10.639 6.311 5.334 1.00 0.00 H new ATOM 0 HA GLN A 26 11.152 3.769 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.037 4.873 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.303 3.234 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.420 2.929 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.684 3.188 4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.802 5.012 1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.475 6.178 1.940 1.00 0.00 H new ATOM 364 N GLN A 27 13.021 5.705 7.615 1.00 0.00 N ATOM 365 CA GLN A 27 14.300 6.108 8.187 1.00 0.00 C ATOM 366 C GLN A 27 15.278 6.526 7.094 1.00 0.00 C ATOM 367 O GLN A 27 16.473 6.244 7.175 1.00 0.00 O ATOM 368 CB GLN A 27 14.897 4.966 9.012 1.00 0.00 C ATOM 369 CG GLN A 27 14.282 4.830 10.396 1.00 0.00 C ATOM 370 CD GLN A 27 14.086 6.168 11.082 1.00 0.00 C ATOM 371 OE1 GLN A 27 15.024 6.955 11.213 1.00 0.00 O ATOM 372 NE2 GLN A 27 12.862 6.433 11.524 1.00 0.00 N ATOM 0 H GLN A 27 12.205 6.083 8.097 1.00 0.00 H new ATOM 0 HA GLN A 27 14.124 6.964 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.764 4.029 8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.970 5.125 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.320 4.324 10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.922 4.200 11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.114 5.752 11.394 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.670 7.318 11.993 1.00 0.00 H new ATOM 381 N GLY A 28 14.762 7.200 6.071 1.00 0.00 N ATOM 382 CA GLY A 28 15.603 7.646 4.976 1.00 0.00 C ATOM 383 C GLY A 28 14.825 8.400 3.916 1.00 0.00 C ATOM 384 O GLY A 28 15.166 8.352 2.734 1.00 0.00 O ATOM 0 H GLY A 28 13.776 7.445 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.393 8.287 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.089 6.783 4.521 1.00 0.00 H new ATOM 388 N SER A 29 13.775 9.096 4.338 1.00 0.00 N ATOM 389 CA SER A 29 12.942 9.859 3.416 1.00 0.00 C ATOM 390 C SER A 29 12.324 11.067 4.114 1.00 0.00 C ATOM 391 O SER A 29 11.791 10.954 5.218 1.00 0.00 O ATOM 392 CB SER A 29 11.840 8.971 2.837 1.00 0.00 C ATOM 393 OG SER A 29 11.438 9.427 1.557 1.00 0.00 O ATOM 0 H SER A 29 13.480 9.147 5.313 1.00 0.00 H new ATOM 0 HA SER A 29 13.575 10.216 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.197 7.944 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.983 8.964 3.510 1.00 0.00 H new ATOM 0 HG SER A 29 10.734 8.842 1.208 1.00 0.00 H new ATOM 399 N SER A 30 12.398 12.222 3.462 1.00 0.00 N ATOM 400 CA SER A 30 11.849 13.452 4.020 1.00 0.00 C ATOM 401 C SER A 30 10.438 13.225 4.552 1.00 0.00 C ATOM 402 O SER A 30 10.021 13.854 5.524 1.00 0.00 O ATOM 403 CB SER A 30 11.836 14.557 2.962 1.00 0.00 C ATOM 404 OG SER A 30 13.070 15.254 2.937 1.00 0.00 O ATOM 0 H SER A 30 12.833 12.332 2.546 1.00 0.00 H new ATOM 0 HA SER A 30 12.486 13.761 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.640 14.124 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.025 15.255 3.170 1.00 0.00 H new ATOM 0 HG SER A 30 13.037 15.954 2.252 1.00 0.00 H new ATOM 410 N GLU A 31 9.707 12.321 3.906 1.00 0.00 N ATOM 411 CA GLU A 31 8.342 12.011 4.313 1.00 0.00 C ATOM 412 C GLU A 31 8.002 10.554 4.014 1.00 0.00 C ATOM 413 O GLU A 31 8.503 9.957 3.060 1.00 0.00 O ATOM 414 CB GLU A 31 7.351 12.934 3.600 1.00 0.00 C ATOM 415 CG GLU A 31 7.505 12.940 2.089 1.00 0.00 C ATOM 416 CD GLU A 31 6.199 13.217 1.370 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.752 14.383 1.379 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.624 12.267 0.799 1.00 0.00 O ATOM 0 H GLU A 31 10.038 11.791 3.099 1.00 0.00 H new ATOM 0 HA GLU A 31 8.267 12.170 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.336 12.628 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.480 13.950 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.239 13.695 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.897 11.976 1.764 1.00 0.00 H new ATOM 425 N PRO A 32 7.131 9.966 4.847 1.00 0.00 N ATOM 426 CA PRO A 32 6.704 8.572 4.692 1.00 0.00 C ATOM 427 C PRO A 32 5.820 8.369 3.467 1.00 0.00 C ATOM 428 O PRO A 32 5.106 9.280 3.046 1.00 0.00 O ATOM 429 CB PRO A 32 5.913 8.299 5.974 1.00 0.00 C ATOM 430 CG PRO A 32 5.430 9.638 6.413 1.00 0.00 C ATOM 431 CD PRO A 32 6.494 10.618 6.004 1.00 0.00 C ATOM 0 HA PRO A 32 7.550 7.900 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.081 7.619 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.540 7.835 6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.476 9.881 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.272 9.661 7.491 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.068 11.585 5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.208 10.796 6.809 1.00 0.00 H new ATOM 439 N VAL A 33 5.871 7.169 2.898 1.00 0.00 N ATOM 440 CA VAL A 33 5.073 6.846 1.722 1.00 0.00 C ATOM 441 C VAL A 33 4.076 5.732 2.023 1.00 0.00 C ATOM 442 O VAL A 33 4.010 5.230 3.145 1.00 0.00 O ATOM 443 CB VAL A 33 5.963 6.417 0.540 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.916 7.538 0.155 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.730 5.149 0.884 1.00 0.00 C ATOM 0 H VAL A 33 6.457 6.404 3.233 1.00 0.00 H new ATOM 0 HA VAL A 33 4.531 7.751 1.449 1.00 0.00 H new ATOM 0 HB VAL A 33 5.323 6.206 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.537 7.217 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.343 8.419 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.552 7.783 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.354 4.860 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.361 5.330 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.026 4.347 1.106 1.00 0.00 H new ATOM 455 N VAL A 34 3.302 5.350 1.012 1.00 0.00 N ATOM 456 CA VAL A 34 2.308 4.294 1.168 1.00 0.00 C ATOM 457 C VAL A 34 2.963 2.980 1.579 1.00 0.00 C ATOM 458 O VAL A 34 2.373 2.184 2.309 1.00 0.00 O ATOM 459 CB VAL A 34 1.514 4.074 -0.134 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.643 2.832 -0.025 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.673 5.299 -0.457 1.00 0.00 C ATOM 0 H VAL A 34 3.344 5.755 0.077 1.00 0.00 H new ATOM 0 HA VAL A 34 1.623 4.617 1.952 1.00 0.00 H new ATOM 0 HB VAL A 34 2.221 3.921 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.090 2.693 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.273 1.961 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.059 2.951 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.119 5.127 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.027 5.485 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.324 6.165 -0.581 1.00 0.00 H new ATOM 471 N GLN A 35 4.185 2.761 1.106 1.00 0.00 N ATOM 472 CA GLN A 35 4.920 1.542 1.425 1.00 0.00 C ATOM 473 C GLN A 35 4.884 1.261 2.923 1.00 0.00 C ATOM 474 O GLN A 35 4.568 0.151 3.350 1.00 0.00 O ATOM 475 CB GLN A 35 6.370 1.656 0.950 1.00 0.00 C ATOM 476 CG GLN A 35 7.063 0.314 0.783 1.00 0.00 C ATOM 477 CD GLN A 35 7.006 -0.532 2.040 1.00 0.00 C ATOM 478 OE1 GLN A 35 7.619 -0.199 3.054 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.268 -1.635 1.979 1.00 0.00 N ATOM 0 H GLN A 35 4.687 3.411 0.501 1.00 0.00 H new ATOM 0 HA GLN A 35 4.440 0.712 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.391 2.187 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.931 2.259 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.598 -0.231 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.105 0.479 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.776 -1.873 1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.193 -2.244 2.794 1.00 0.00 H new ATOM 488 N ASP A 36 5.212 2.275 3.718 1.00 0.00 N ATOM 489 CA ASP A 36 5.216 2.137 5.170 1.00 0.00 C ATOM 490 C ASP A 36 3.821 1.805 5.689 1.00 0.00 C ATOM 491 O ASP A 36 3.651 0.903 6.510 1.00 0.00 O ATOM 492 CB ASP A 36 5.725 3.423 5.823 1.00 0.00 C ATOM 493 CG ASP A 36 5.887 3.285 7.324 1.00 0.00 C ATOM 494 OD1 ASP A 36 4.864 3.334 8.038 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.038 3.127 7.785 1.00 0.00 O ATOM 0 H ASP A 36 5.478 3.200 3.381 1.00 0.00 H new ATOM 0 HA ASP A 36 5.884 1.317 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.683 3.697 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.031 4.235 5.609 1.00 0.00 H new ATOM 500 N LEU A 37 2.826 2.541 5.206 1.00 0.00 N ATOM 501 CA LEU A 37 1.444 2.325 5.622 1.00 0.00 C ATOM 502 C LEU A 37 1.068 0.851 5.520 1.00 0.00 C ATOM 503 O LEU A 37 0.467 0.289 6.435 1.00 0.00 O ATOM 504 CB LEU A 37 0.496 3.165 4.764 1.00 0.00 C ATOM 505 CG LEU A 37 -0.966 2.715 4.742 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.551 2.734 6.145 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.782 3.599 3.810 1.00 0.00 C ATOM 0 H LEU A 37 2.950 3.292 4.527 1.00 0.00 H new ATOM 0 HA LEU A 37 1.352 2.633 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.533 4.195 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.870 3.167 3.740 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.006 1.692 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.591 2.411 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.983 2.059 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.499 3.746 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.819 3.264 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.735 4.632 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.377 3.535 2.800 1.00 0.00 H new ATOM 519 N ALA A 38 1.428 0.229 4.402 1.00 0.00 N ATOM 520 CA ALA A 38 1.133 -1.181 4.183 1.00 0.00 C ATOM 521 C ALA A 38 1.818 -2.055 5.229 1.00 0.00 C ATOM 522 O ALA A 38 1.254 -3.048 5.686 1.00 0.00 O ATOM 523 CB ALA A 38 1.559 -1.599 2.783 1.00 0.00 C ATOM 0 H ALA A 38 1.925 0.680 3.634 1.00 0.00 H new ATOM 0 HA ALA A 38 0.056 -1.320 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.332 -2.655 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.020 -1.004 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.631 -1.438 2.665 1.00 0.00 H new ATOM 529 N GLN A 39 3.036 -1.677 5.602 1.00 0.00 N ATOM 530 CA GLN A 39 3.798 -2.428 6.593 1.00 0.00 C ATOM 531 C GLN A 39 3.173 -2.292 7.977 1.00 0.00 C ATOM 532 O GLN A 39 2.975 -3.283 8.681 1.00 0.00 O ATOM 533 CB GLN A 39 5.249 -1.944 6.626 1.00 0.00 C ATOM 534 CG GLN A 39 6.161 -2.693 5.668 1.00 0.00 C ATOM 535 CD GLN A 39 7.599 -2.737 6.146 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.514 -2.315 5.439 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.806 -3.251 7.353 1.00 0.00 N ATOM 0 H GLN A 39 3.516 -0.856 5.234 1.00 0.00 H new ATOM 0 HA GLN A 39 3.780 -3.480 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.275 -0.882 6.383 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.636 -2.049 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.792 -3.711 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.122 -2.217 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.018 -3.589 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.753 -3.308 7.728 1.00 0.00 H new ATOM 546 N VAL A 40 2.864 -1.058 8.363 1.00 0.00 N ATOM 547 CA VAL A 40 2.260 -0.792 9.663 1.00 0.00 C ATOM 548 C VAL A 40 1.052 -1.691 9.903 1.00 0.00 C ATOM 549 O VAL A 40 0.809 -2.137 11.024 1.00 0.00 O ATOM 550 CB VAL A 40 1.824 0.680 9.789 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.012 0.890 11.058 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.036 1.598 9.764 1.00 0.00 C ATOM 0 H VAL A 40 3.022 -0.227 7.794 1.00 0.00 H new ATOM 0 HA VAL A 40 3.021 -1.003 10.414 1.00 0.00 H new ATOM 0 HB VAL A 40 1.191 0.928 8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.713 1.936 11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.123 0.260 11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.617 0.625 11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.710 2.634 9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.696 1.352 10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.572 1.467 8.824 1.00 0.00 H new ATOM 562 N VAL A 41 0.297 -1.954 8.841 1.00 0.00 N ATOM 563 CA VAL A 41 -0.885 -2.801 8.934 1.00 0.00 C ATOM 564 C VAL A 41 -0.500 -4.260 9.152 1.00 0.00 C ATOM 565 O VAL A 41 -0.947 -4.894 10.107 1.00 0.00 O ATOM 566 CB VAL A 41 -1.754 -2.695 7.667 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.928 -3.659 7.741 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.238 -1.266 7.472 1.00 0.00 C ATOM 0 H VAL A 41 0.484 -1.592 7.906 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.460 -2.448 9.790 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.145 -2.969 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.530 -3.569 6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.556 -4.680 7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.541 -3.420 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.851 -1.209 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.831 -0.962 8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.380 -0.602 7.369 1.00 0.00 H new ATOM 578 N GLU A 42 0.332 -4.787 8.259 1.00 0.00 N ATOM 579 CA GLU A 42 0.777 -6.172 8.354 1.00 0.00 C ATOM 580 C GLU A 42 1.610 -6.391 9.613 1.00 0.00 C ATOM 581 O GLU A 42 1.739 -7.515 10.097 1.00 0.00 O ATOM 582 CB GLU A 42 1.592 -6.555 7.117 1.00 0.00 C ATOM 583 CG GLU A 42 2.073 -7.996 7.127 1.00 0.00 C ATOM 584 CD GLU A 42 3.241 -8.215 8.069 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.220 -7.443 7.989 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.177 -9.157 8.886 1.00 0.00 O ATOM 0 H GLU A 42 0.711 -4.276 7.462 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.107 -6.808 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.985 -6.390 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.455 -5.893 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.249 -8.648 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.366 -8.284 6.118 1.00 0.00 H new ATOM 593 N GLU A 43 2.175 -5.307 10.138 1.00 0.00 N ATOM 594 CA GLU A 43 2.997 -5.381 11.340 1.00 0.00 C ATOM 595 C GLU A 43 2.149 -5.178 12.592 1.00 0.00 C ATOM 596 O GLU A 43 2.418 -5.766 13.640 1.00 0.00 O ATOM 597 CB GLU A 43 4.110 -4.332 11.289 1.00 0.00 C ATOM 598 CG GLU A 43 5.136 -4.586 10.198 1.00 0.00 C ATOM 599 CD GLU A 43 6.051 -5.752 10.517 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.788 -5.670 11.522 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.030 -6.747 9.763 1.00 0.00 O ATOM 0 H GLU A 43 2.078 -4.369 9.750 1.00 0.00 H new ATOM 0 HA GLU A 43 3.445 -6.374 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.665 -3.349 11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.617 -4.305 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.620 -4.781 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.736 -3.688 10.052 1.00 0.00 H new ATOM 608 N VAL A 44 1.123 -4.341 12.476 1.00 0.00 N ATOM 609 CA VAL A 44 0.234 -4.061 13.598 1.00 0.00 C ATOM 610 C VAL A 44 -0.993 -4.964 13.566 1.00 0.00 C ATOM 611 O VAL A 44 -1.244 -5.721 14.504 1.00 0.00 O ATOM 612 CB VAL A 44 -0.224 -2.590 13.596 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.249 -2.349 14.693 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.970 -1.661 13.757 1.00 0.00 C ATOM 0 H VAL A 44 0.887 -3.845 11.617 1.00 0.00 H new ATOM 0 HA VAL A 44 0.801 -4.257 14.508 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.696 -2.375 12.637 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.561 -1.305 14.676 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.116 -2.989 14.528 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.806 -2.580 15.662 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.629 -0.626 13.753 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.472 -1.874 14.701 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.666 -1.816 12.932 1.00 0.00 H new ATOM 624 N ILE A 45 -1.755 -4.879 12.480 1.00 0.00 N ATOM 625 CA ILE A 45 -2.956 -5.690 12.326 1.00 0.00 C ATOM 626 C ILE A 45 -2.615 -7.176 12.282 1.00 0.00 C ATOM 627 O ILE A 45 -3.048 -7.948 13.136 1.00 0.00 O ATOM 628 CB ILE A 45 -3.728 -5.315 11.047 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.952 -3.803 10.985 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.056 -6.055 10.993 1.00 0.00 C ATOM 631 CD1 ILE A 45 -5.020 -3.390 9.997 1.00 0.00 C ATOM 0 H ILE A 45 -1.562 -4.257 11.695 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.585 -5.489 13.193 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.134 -5.611 10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.227 -3.444 11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.014 -3.316 10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.589 -5.779 10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.874 -7.130 10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.657 -5.787 11.862 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.125 -2.305 10.007 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.737 -3.718 8.997 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.969 -3.848 10.274 1.00 0.00 H new ATOM 643 N GLY A 46 -1.832 -7.569 11.282 1.00 0.00 N ATOM 644 CA GLY A 46 -1.443 -8.960 11.147 1.00 0.00 C ATOM 645 C GLY A 46 -1.843 -9.546 9.807 1.00 0.00 C ATOM 646 O GLY A 46 -1.812 -10.763 9.619 1.00 0.00 O ATOM 0 H GLY A 46 -1.460 -6.948 10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.363 -9.046 11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.902 -9.542 11.946 1.00 0.00 H new ATOM 650 N VAL A 47 -2.223 -8.680 8.873 1.00 0.00 N ATOM 651 CA VAL A 47 -2.631 -9.119 7.544 1.00 0.00 C ATOM 652 C VAL A 47 -1.554 -8.815 6.510 1.00 0.00 C ATOM 653 O VAL A 47 -1.012 -7.711 6.446 1.00 0.00 O ATOM 654 CB VAL A 47 -3.947 -8.446 7.111 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.332 -8.879 5.705 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.059 -8.765 8.099 1.00 0.00 C ATOM 0 H VAL A 47 -2.257 -7.670 9.012 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.783 -10.197 7.599 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.797 -7.366 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.264 -8.393 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.544 -8.594 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.464 -9.961 5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.981 -8.281 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.210 -9.844 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.783 -8.399 9.088 1.00 0.00 H new ATOM 666 N PRO A 48 -1.233 -9.817 5.678 1.00 0.00 N ATOM 667 CA PRO A 48 -0.218 -9.681 4.629 1.00 0.00 C ATOM 668 C PRO A 48 -0.669 -8.758 3.502 1.00 0.00 C ATOM 669 O PRO A 48 -1.859 -8.667 3.202 1.00 0.00 O ATOM 670 CB PRO A 48 -0.047 -11.112 4.113 1.00 0.00 C ATOM 671 CG PRO A 48 -1.342 -11.782 4.421 1.00 0.00 C ATOM 672 CD PRO A 48 -1.838 -11.159 5.696 1.00 0.00 C ATOM 0 HA PRO A 48 0.703 -9.237 5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.161 -11.125 3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.786 -11.614 4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.058 -11.638 3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.207 -12.857 4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.927 -11.109 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.525 -11.729 6.570 1.00 0.00 H new ATOM 680 N GLN A 49 0.290 -8.078 2.881 1.00 0.00 N ATOM 681 CA GLN A 49 -0.010 -7.162 1.787 1.00 0.00 C ATOM 682 C GLN A 49 -0.700 -7.893 0.640 1.00 0.00 C ATOM 683 O GLN A 49 -1.237 -7.267 -0.274 1.00 0.00 O ATOM 684 CB GLN A 49 1.272 -6.496 1.285 1.00 0.00 C ATOM 685 CG GLN A 49 1.991 -5.682 2.349 1.00 0.00 C ATOM 686 CD GLN A 49 3.125 -4.852 1.781 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.171 -4.581 0.581 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.048 -4.442 2.643 1.00 0.00 N ATOM 0 H GLN A 49 1.280 -8.144 3.117 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.686 -6.394 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.948 -7.264 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.029 -5.846 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.276 -5.024 2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.384 -6.354 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.971 -4.690 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.834 -3.879 2.319 1.00 0.00 H new ATOM 697 N SER A 50 -0.682 -9.221 0.694 1.00 0.00 N ATOM 698 CA SER A 50 -1.302 -10.037 -0.343 1.00 0.00 C ATOM 699 C SER A 50 -2.770 -10.298 -0.023 1.00 0.00 C ATOM 700 O SER A 50 -3.536 -10.739 -0.881 1.00 0.00 O ATOM 701 CB SER A 50 -0.556 -11.364 -0.492 1.00 0.00 C ATOM 702 OG SER A 50 0.692 -11.179 -1.136 1.00 0.00 O ATOM 0 H SER A 50 -0.245 -9.755 1.445 1.00 0.00 H new ATOM 0 HA SER A 50 -1.245 -9.490 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.399 -11.809 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.164 -12.064 -1.065 1.00 0.00 H new ATOM 0 HG SER A 50 1.149 -12.042 -1.217 1.00 0.00 H new ATOM 708 N PHE A 51 -3.157 -10.023 1.218 1.00 0.00 N ATOM 709 CA PHE A 51 -4.533 -10.230 1.654 1.00 0.00 C ATOM 710 C PHE A 51 -5.211 -8.898 1.962 1.00 0.00 C ATOM 711 O PHE A 51 -6.422 -8.754 1.795 1.00 0.00 O ATOM 712 CB PHE A 51 -4.569 -11.131 2.890 1.00 0.00 C ATOM 713 CG PHE A 51 -4.236 -12.565 2.596 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.063 -12.897 1.937 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.096 -13.583 2.977 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.752 -14.216 1.665 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.790 -14.904 2.708 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.618 -15.220 2.050 1.00 0.00 C ATOM 0 H PHE A 51 -2.537 -9.656 1.940 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.076 -10.716 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.866 -10.748 3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.562 -11.081 3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.383 -12.115 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.015 -13.342 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.833 -14.461 1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.467 -15.688 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.379 -16.251 1.837 1.00 0.00 H new ATOM 728 N GLN A 52 -4.421 -7.929 2.413 1.00 0.00 N ATOM 729 CA GLN A 52 -4.946 -6.609 2.745 1.00 0.00 C ATOM 730 C GLN A 52 -4.895 -5.683 1.535 1.00 0.00 C ATOM 731 O GLN A 52 -3.983 -5.767 0.713 1.00 0.00 O ATOM 732 CB GLN A 52 -4.153 -5.999 3.903 1.00 0.00 C ATOM 733 CG GLN A 52 -2.705 -5.696 3.555 1.00 0.00 C ATOM 734 CD GLN A 52 -2.155 -4.511 4.326 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.847 -3.513 4.528 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.905 -4.616 4.761 1.00 0.00 N ATOM 0 H GLN A 52 -3.417 -8.032 2.557 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.987 -6.725 3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.642 -5.078 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.179 -6.684 4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.094 -6.575 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.626 -5.498 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.368 -5.462 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.482 -3.851 5.286 1.00 0.00 H new ATOM 745 N LYS A 53 -5.882 -4.799 1.431 1.00 0.00 N ATOM 746 CA LYS A 53 -5.951 -3.855 0.322 1.00 0.00 C ATOM 747 C LYS A 53 -6.310 -2.458 0.818 1.00 0.00 C ATOM 748 O LYS A 53 -7.373 -2.250 1.405 1.00 0.00 O ATOM 749 CB LYS A 53 -6.981 -4.322 -0.708 1.00 0.00 C ATOM 750 CG LYS A 53 -7.202 -3.332 -1.839 1.00 0.00 C ATOM 751 CD LYS A 53 -8.508 -3.601 -2.569 1.00 0.00 C ATOM 752 CE LYS A 53 -8.468 -4.927 -3.312 1.00 0.00 C ATOM 753 NZ LYS A 53 -7.853 -4.788 -4.662 1.00 0.00 N ATOM 0 H LYS A 53 -6.646 -4.717 2.102 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.969 -3.813 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.657 -5.274 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.930 -4.503 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.210 -2.318 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.372 -3.391 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.331 -3.608 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.705 -2.793 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.903 -5.653 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.481 -5.318 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.844 -5.713 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.407 -4.114 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.878 -4.439 -4.565 1.00 0.00 H new ATOM 767 N LEU A 54 -5.419 -1.503 0.578 1.00 0.00 N ATOM 768 CA LEU A 54 -5.642 -0.124 0.999 1.00 0.00 C ATOM 769 C LEU A 54 -6.596 0.589 0.045 1.00 0.00 C ATOM 770 O LEU A 54 -6.521 0.411 -1.171 1.00 0.00 O ATOM 771 CB LEU A 54 -4.314 0.631 1.068 1.00 0.00 C ATOM 772 CG LEU A 54 -3.603 0.617 2.422 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.503 1.194 3.503 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.172 -0.797 2.783 1.00 0.00 C ATOM 0 H LEU A 54 -4.535 -1.658 0.094 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.094 -0.142 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.640 0.209 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.494 1.668 0.785 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.711 1.240 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.980 1.176 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.762 2.222 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.413 0.598 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.668 -0.788 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.049 -1.442 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.490 -1.175 2.021 1.00 0.00 H new ATOM 786 N ILE A 55 -7.491 1.396 0.605 1.00 0.00 N ATOM 787 CA ILE A 55 -8.456 2.138 -0.196 1.00 0.00 C ATOM 788 C ILE A 55 -8.807 3.470 0.460 1.00 0.00 C ATOM 789 O ILE A 55 -9.353 3.507 1.562 1.00 0.00 O ATOM 790 CB ILE A 55 -9.749 1.329 -0.411 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.416 -0.108 -0.816 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.621 1.994 -1.466 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.610 -1.036 -0.789 1.00 0.00 C ATOM 0 H ILE A 55 -7.568 1.552 1.610 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.987 2.324 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.304 1.303 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.991 -0.105 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.649 -0.497 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.531 1.410 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.882 3.001 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.075 2.048 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.299 -2.037 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.022 -1.069 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.370 -0.671 -1.480 1.00 0.00 H new ATOM 805 N PHE A 56 -8.490 4.562 -0.227 1.00 0.00 N ATOM 806 CA PHE A 56 -8.771 5.897 0.287 1.00 0.00 C ATOM 807 C PHE A 56 -9.658 6.677 -0.680 1.00 0.00 C ATOM 808 O PHE A 56 -9.338 6.815 -1.860 1.00 0.00 O ATOM 809 CB PHE A 56 -7.467 6.660 0.528 1.00 0.00 C ATOM 810 CG PHE A 56 -7.655 7.949 1.275 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.277 7.963 2.513 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.210 9.147 0.740 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.452 9.148 3.202 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.382 10.335 1.425 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.003 10.335 2.658 1.00 0.00 C ATOM 0 H PHE A 56 -8.038 4.549 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.301 5.790 1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.781 6.023 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.996 6.871 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.629 7.038 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.723 9.153 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.940 9.146 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.031 11.262 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.137 11.262 3.196 1.00 0.00 H new ATOM 825 N LYS A 57 -10.775 7.184 -0.170 1.00 0.00 N ATOM 826 CA LYS A 57 -11.710 7.951 -0.985 1.00 0.00 C ATOM 827 C LYS A 57 -12.222 7.116 -2.155 1.00 0.00 C ATOM 828 O LYS A 57 -12.243 7.576 -3.296 1.00 0.00 O ATOM 829 CB LYS A 57 -11.039 9.223 -1.507 1.00 0.00 C ATOM 830 CG LYS A 57 -11.188 10.415 -0.578 1.00 0.00 C ATOM 831 CD LYS A 57 -10.050 11.405 -0.754 1.00 0.00 C ATOM 832 CE LYS A 57 -10.206 12.604 0.169 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.207 13.577 -0.349 1.00 0.00 N ATOM 0 H LYS A 57 -11.055 7.078 0.805 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.559 8.227 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.979 9.026 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.464 9.475 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.138 10.913 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.215 10.071 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.101 10.909 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.018 11.744 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.510 12.263 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.243 13.101 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.284 14.379 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.905 13.922 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.132 13.110 -0.435 1.00 0.00 H new ATOM 847 N GLY A 58 -12.635 5.887 -1.863 1.00 0.00 N ATOM 848 CA GLY A 58 -13.143 5.009 -2.902 1.00 0.00 C ATOM 849 C GLY A 58 -12.109 4.718 -3.972 1.00 0.00 C ATOM 850 O GLY A 58 -12.455 4.440 -5.120 1.00 0.00 O ATOM 0 H GLY A 58 -12.627 5.483 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.470 4.071 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.019 5.465 -3.362 1.00 0.00 H new ATOM 854 N LYS A 59 -10.837 4.784 -3.596 1.00 0.00 N ATOM 855 CA LYS A 59 -9.748 4.526 -4.531 1.00 0.00 C ATOM 856 C LYS A 59 -8.689 3.628 -3.899 1.00 0.00 C ATOM 857 O LYS A 59 -8.067 3.994 -2.902 1.00 0.00 O ATOM 858 CB LYS A 59 -9.113 5.843 -4.981 1.00 0.00 C ATOM 859 CG LYS A 59 -10.038 6.711 -5.817 1.00 0.00 C ATOM 860 CD LYS A 59 -9.283 7.844 -6.490 1.00 0.00 C ATOM 861 CE LYS A 59 -10.169 8.601 -7.468 1.00 0.00 C ATOM 862 NZ LYS A 59 -10.344 7.858 -8.747 1.00 0.00 N ATOM 0 H LYS A 59 -10.534 5.014 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.162 4.014 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.799 6.404 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.214 5.625 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.527 6.098 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.824 7.122 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.905 8.531 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.417 7.443 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.144 8.777 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.732 9.578 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.954 8.407 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.416 7.712 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.785 6.936 -8.555 1.00 0.00 H new ATOM 876 N SER A 60 -8.489 2.453 -4.487 1.00 0.00 N ATOM 877 CA SER A 60 -7.506 1.503 -3.980 1.00 0.00 C ATOM 878 C SER A 60 -6.087 2.022 -4.193 1.00 0.00 C ATOM 879 O SER A 60 -5.726 2.441 -5.293 1.00 0.00 O ATOM 880 CB SER A 60 -7.674 0.147 -4.669 1.00 0.00 C ATOM 881 OG SER A 60 -9.027 -0.273 -4.645 1.00 0.00 O ATOM 0 H SER A 60 -8.994 2.136 -5.314 1.00 0.00 H new ATOM 0 HA SER A 60 -7.673 1.382 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.329 0.215 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.050 -0.596 -4.173 1.00 0.00 H new ATOM 0 HG SER A 60 -9.108 -1.141 -5.093 1.00 0.00 H new ATOM 887 N LEU A 61 -5.288 1.991 -3.132 1.00 0.00 N ATOM 888 CA LEU A 61 -3.907 2.458 -3.201 1.00 0.00 C ATOM 889 C LEU A 61 -2.955 1.302 -3.490 1.00 0.00 C ATOM 890 O LEU A 61 -2.627 0.516 -2.601 1.00 0.00 O ATOM 891 CB LEU A 61 -3.514 3.143 -1.891 1.00 0.00 C ATOM 892 CG LEU A 61 -4.510 4.165 -1.343 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.078 4.646 0.034 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.650 5.339 -2.300 1.00 0.00 C ATOM 0 H LEU A 61 -5.572 1.648 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.833 3.177 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.360 2.374 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.556 3.642 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.482 3.682 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.799 5.373 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.030 3.798 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.095 5.112 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.363 6.057 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.681 5.822 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.006 4.981 -3.266 1.00 0.00 H new ATOM 906 N LYS A 62 -2.512 1.205 -4.739 1.00 0.00 N ATOM 907 CA LYS A 62 -1.594 0.148 -5.146 1.00 0.00 C ATOM 908 C LYS A 62 -0.229 0.723 -5.511 1.00 0.00 C ATOM 909 O LYS A 62 0.471 0.186 -6.368 1.00 0.00 O ATOM 910 CB LYS A 62 -2.168 -0.624 -6.336 1.00 0.00 C ATOM 911 CG LYS A 62 -2.663 0.270 -7.460 1.00 0.00 C ATOM 912 CD LYS A 62 -4.123 0.647 -7.270 1.00 0.00 C ATOM 913 CE LYS A 62 -4.818 0.873 -8.605 1.00 0.00 C ATOM 914 NZ LYS A 62 -6.294 0.988 -8.449 1.00 0.00 N ATOM 0 H LYS A 62 -2.774 1.846 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.469 -0.533 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.402 -1.294 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.992 -1.248 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.055 1.174 -7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.539 -0.242 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.635 -0.143 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.191 1.551 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.430 1.781 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.587 0.048 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.731 1.141 -9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.668 0.112 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.516 1.791 -7.826 1.00 0.00 H new ATOM 928 N GLU A 63 0.142 1.817 -4.853 1.00 0.00 N ATOM 929 CA GLU A 63 1.424 2.463 -5.109 1.00 0.00 C ATOM 930 C GLU A 63 2.164 2.740 -3.804 1.00 0.00 C ATOM 931 O GLU A 63 1.862 3.702 -3.098 1.00 0.00 O ATOM 932 CB GLU A 63 1.217 3.770 -5.877 1.00 0.00 C ATOM 933 CG GLU A 63 0.733 3.568 -7.303 1.00 0.00 C ATOM 934 CD GLU A 63 1.853 3.185 -8.250 1.00 0.00 C ATOM 935 OE1 GLU A 63 2.959 3.752 -8.123 1.00 0.00 O ATOM 936 OE2 GLU A 63 1.624 2.317 -9.119 1.00 0.00 O ATOM 0 H GLU A 63 -0.426 2.274 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 63 2.028 1.786 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.495 4.386 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.156 4.323 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.031 2.791 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.261 4.485 -7.656 1.00 0.00 H new ATOM 943 N MET A 64 3.135 1.888 -3.489 1.00 0.00 N ATOM 944 CA MET A 64 3.919 2.041 -2.269 1.00 0.00 C ATOM 945 C MET A 64 4.938 3.166 -2.415 1.00 0.00 C ATOM 946 O MET A 64 5.099 3.990 -1.515 1.00 0.00 O ATOM 947 CB MET A 64 4.634 0.731 -1.930 1.00 0.00 C ATOM 948 CG MET A 64 3.703 -0.469 -1.861 1.00 0.00 C ATOM 949 SD MET A 64 2.538 -0.367 -0.489 1.00 0.00 S ATOM 950 CE MET A 64 0.984 -0.246 -1.372 1.00 0.00 C ATOM 0 H MET A 64 3.397 1.085 -4.061 1.00 0.00 H new ATOM 0 HA MET A 64 3.237 2.296 -1.458 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.403 0.542 -2.679 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.143 0.841 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.150 -0.549 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.296 -1.378 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.164 -0.176 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.992 0.643 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.849 -1.131 -1.993 1.00 0.00 H new ATOM 960 N GLU A 65 5.624 3.194 -3.554 1.00 0.00 N ATOM 961 CA GLU A 65 6.628 4.219 -3.815 1.00 0.00 C ATOM 962 C GLU A 65 5.996 5.607 -3.835 1.00 0.00 C ATOM 963 O GLU A 65 6.693 6.621 -3.777 1.00 0.00 O ATOM 964 CB GLU A 65 7.332 3.947 -5.146 1.00 0.00 C ATOM 965 CG GLU A 65 8.221 2.715 -5.125 1.00 0.00 C ATOM 966 CD GLU A 65 8.769 2.368 -6.495 1.00 0.00 C ATOM 967 OE1 GLU A 65 8.029 2.525 -7.488 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.940 1.938 -6.574 1.00 0.00 O ATOM 0 H GLU A 65 5.503 2.520 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 65 7.363 4.185 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.581 3.829 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.935 4.815 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.050 2.882 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.653 1.868 -4.740 1.00 0.00 H new ATOM 975 N THR A 66 4.670 5.647 -3.918 1.00 0.00 N ATOM 976 CA THR A 66 3.943 6.909 -3.948 1.00 0.00 C ATOM 977 C THR A 66 3.791 7.490 -2.547 1.00 0.00 C ATOM 978 O THR A 66 3.375 6.810 -1.609 1.00 0.00 O ATOM 979 CB THR A 66 2.546 6.738 -4.574 1.00 0.00 C ATOM 980 OG1 THR A 66 2.666 6.500 -5.981 1.00 0.00 O ATOM 981 CG2 THR A 66 1.691 7.974 -4.335 1.00 0.00 C ATOM 0 H THR A 66 4.077 4.818 -3.966 1.00 0.00 H new ATOM 0 HA THR A 66 4.527 7.595 -4.562 1.00 0.00 H new ATOM 0 HB THR A 66 2.062 5.884 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.774 6.391 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.709 7.830 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.578 8.136 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.173 8.842 -4.784 1.00 0.00 H new ATOM 989 N PRO A 67 4.136 8.777 -2.398 1.00 0.00 N ATOM 990 CA PRO A 67 4.045 9.478 -1.114 1.00 0.00 C ATOM 991 C PRO A 67 2.602 9.713 -0.682 1.00 0.00 C ATOM 992 O PRO A 67 1.805 10.285 -1.427 1.00 0.00 O ATOM 993 CB PRO A 67 4.745 10.812 -1.388 1.00 0.00 C ATOM 994 CG PRO A 67 4.604 11.020 -2.856 1.00 0.00 C ATOM 995 CD PRO A 67 4.639 9.649 -3.473 1.00 0.00 C ATOM 0 HA PRO A 67 4.494 8.903 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.283 11.624 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.793 10.777 -1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.669 11.530 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.412 11.642 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.012 9.593 -4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.648 9.371 -3.777 1.00 0.00 H new ATOM 1003 N LEU A 68 2.270 9.268 0.525 1.00 0.00 N ATOM 1004 CA LEU A 68 0.922 9.430 1.057 1.00 0.00 C ATOM 1005 C LEU A 68 0.440 10.868 0.890 1.00 0.00 C ATOM 1006 O LEU A 68 -0.754 11.117 0.722 1.00 0.00 O ATOM 1007 CB LEU A 68 0.884 9.036 2.534 1.00 0.00 C ATOM 1008 CG LEU A 68 1.303 7.601 2.856 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.898 7.520 4.254 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.117 6.656 2.724 1.00 0.00 C ATOM 0 H LEU A 68 2.917 8.792 1.154 1.00 0.00 H new ATOM 0 HA LEU A 68 0.256 8.775 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.532 9.716 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.130 9.189 2.905 1.00 0.00 H new ATOM 0 HG LEU A 68 2.066 7.296 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.190 6.492 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.774 8.166 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.157 7.844 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.434 5.639 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.668 6.959 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.265 6.692 1.704 1.00 0.00 H new ATOM 1022 N SER A 69 1.377 11.810 0.935 1.00 0.00 N ATOM 1023 CA SER A 69 1.048 13.223 0.791 1.00 0.00 C ATOM 1024 C SER A 69 0.505 13.514 -0.605 1.00 0.00 C ATOM 1025 O SER A 69 -0.395 14.337 -0.774 1.00 0.00 O ATOM 1026 CB SER A 69 2.282 14.086 1.061 1.00 0.00 C ATOM 1027 OG SER A 69 1.970 15.465 0.966 1.00 0.00 O ATOM 0 H SER A 69 2.370 11.620 1.070 1.00 0.00 H new ATOM 0 HA SER A 69 0.276 13.468 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.673 13.866 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.067 13.837 0.347 1.00 0.00 H new ATOM 0 HG SER A 69 2.775 15.995 1.144 1.00 0.00 H new ATOM 1033 N ALA A 70 1.060 12.834 -1.603 1.00 0.00 N ATOM 1034 CA ALA A 70 0.631 13.017 -2.984 1.00 0.00 C ATOM 1035 C ALA A 70 -0.846 12.679 -3.150 1.00 0.00 C ATOM 1036 O ALA A 70 -1.576 13.370 -3.862 1.00 0.00 O ATOM 1037 CB ALA A 70 1.478 12.165 -3.917 1.00 0.00 C ATOM 0 H ALA A 70 1.808 12.151 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 70 0.767 14.067 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.147 12.312 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.524 12.458 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.371 11.114 -3.648 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.282 11.612 -2.489 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.673 11.181 -2.564 1.00 0.00 C ATOM 1045 C LEU A 71 -3.583 12.144 -1.808 1.00 0.00 C ATOM 1046 O LEU A 71 -4.784 12.210 -2.065 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.822 9.769 -1.995 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.932 8.695 -2.623 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.761 7.521 -1.672 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.514 8.230 -3.950 1.00 0.00 C ATOM 0 H LEU A 71 -0.692 11.030 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.970 11.177 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.613 9.806 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.862 9.462 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.950 9.128 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.125 6.767 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.299 7.866 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.736 7.087 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.868 7.466 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.508 7.814 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.583 9.076 -4.633 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.000 12.892 -0.876 1.00 0.00 N ATOM 1063 CA GLY A 72 -3.773 13.844 -0.098 1.00 0.00 C ATOM 1064 C GLY A 72 -3.933 13.417 1.347 1.00 0.00 C ATOM 1065 O GLY A 72 -4.410 14.189 2.180 1.00 0.00 O ATOM 0 H GLY A 72 -2.007 12.856 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.286 14.818 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.758 13.963 -0.550 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.534 12.185 1.647 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.636 11.658 3.002 1.00 0.00 C ATOM 1071 C ILE A 73 -2.749 12.440 3.964 1.00 0.00 C ATOM 1072 O ILE A 73 -1.642 12.845 3.612 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.247 10.169 3.057 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.294 9.318 2.335 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.092 9.716 4.501 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.741 8.028 1.773 1.00 0.00 C ATOM 0 H ILE A 73 -3.137 11.534 0.970 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.678 11.764 3.305 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.290 10.039 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.102 9.086 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.728 9.902 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.817 8.662 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.313 10.305 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.035 9.857 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.539 7.476 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.952 8.253 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.333 7.424 2.583 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.244 12.647 5.181 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.495 13.380 6.194 1.00 0.00 C ATOM 1090 C GLN A 74 -2.877 12.915 7.596 1.00 0.00 C ATOM 1091 O GLN A 74 -3.858 12.193 7.775 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.745 14.883 6.057 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.910 15.542 4.972 1.00 0.00 C ATOM 1094 CD GLN A 74 -2.307 16.984 4.725 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -3.394 17.263 4.217 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.427 17.911 5.084 1.00 0.00 N ATOM 0 H GLN A 74 -4.159 12.318 5.488 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.435 13.180 6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.801 15.049 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.533 15.366 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.858 15.502 5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.013 14.977 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.538 17.636 5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.640 18.898 4.942 1.00 0.00 H new ATOM 1105 N ASP A 75 -2.096 13.332 8.586 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.352 12.959 9.972 1.00 0.00 C ATOM 1107 C ASP A 75 -3.735 13.427 10.413 1.00 0.00 C ATOM 1108 O ASP A 75 -4.010 14.625 10.462 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.282 13.553 10.889 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.335 15.067 10.935 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.130 15.701 9.879 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.582 15.619 12.028 1.00 0.00 O ATOM 0 H ASP A 75 -1.280 13.929 8.454 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.316 11.872 10.043 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.410 13.157 11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.297 13.237 10.545 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.604 12.472 10.733 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.948 12.807 11.165 1.00 0.00 C ATOM 1119 C GLY A 76 -7.003 12.374 10.166 1.00 0.00 C ATOM 1120 O GLY A 76 -8.089 12.953 10.109 1.00 0.00 O ATOM 0 H GLY A 76 -4.401 11.473 10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.146 12.333 12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.019 13.884 11.320 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.684 11.355 9.376 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.612 10.847 8.372 1.00 0.00 C ATOM 1126 C CYS A 77 -7.953 9.384 8.638 1.00 0.00 C ATOM 1127 O CYS A 77 -7.330 8.734 9.478 1.00 0.00 O ATOM 1128 CB CYS A 77 -7.014 10.997 6.972 1.00 0.00 C ATOM 1129 SG CYS A 77 -5.648 9.865 6.628 1.00 0.00 S ATOM 0 H CYS A 77 -5.790 10.865 9.411 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.530 11.432 8.432 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.800 10.836 6.234 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.663 12.021 6.846 1.00 0.00 H new ATOM 0 HG CYS A 77 -4.527 10.416 6.987 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.946 8.873 7.918 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.372 7.488 8.079 1.00 0.00 C ATOM 1137 C ARG A 78 -9.368 6.759 6.738 1.00 0.00 C ATOM 1138 O ARG A 78 -10.098 7.128 5.817 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.770 7.430 8.699 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.761 7.406 10.218 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.097 7.853 10.790 1.00 0.00 C ATOM 1142 NE ARG A 78 -11.954 8.444 12.118 1.00 0.00 N ATOM 1143 CZ ARG A 78 -11.337 9.598 12.346 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -10.809 10.281 11.340 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -11.247 10.070 13.583 1.00 0.00 N ATOM 0 H ARG A 78 -9.471 9.397 7.218 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.666 6.992 8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.344 8.293 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.284 6.541 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.534 6.398 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.969 8.057 10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.554 8.579 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.772 6.999 10.844 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.350 7.943 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.876 9.921 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.336 11.167 11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.652 9.547 14.359 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.773 10.956 13.757 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.541 5.724 6.636 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.442 4.943 5.409 1.00 0.00 C ATOM 1161 C VAL A 79 -9.208 3.630 5.529 1.00 0.00 C ATOM 1162 O VAL A 79 -9.497 3.167 6.632 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.975 4.637 5.055 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.889 3.884 3.736 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.162 5.922 4.998 1.00 0.00 C ATOM 0 H VAL A 79 -7.930 5.407 7.388 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.882 5.546 4.615 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.556 4.002 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.845 3.677 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.436 2.945 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.325 4.490 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.128 5.687 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.579 6.583 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.196 6.417 5.968 1.00 0.00 H new ATOM 1175 N MET A 80 -9.535 3.035 4.387 1.00 0.00 N ATOM 1176 CA MET A 80 -10.267 1.774 4.365 1.00 0.00 C ATOM 1177 C MET A 80 -9.356 0.624 3.944 1.00 0.00 C ATOM 1178 O MET A 80 -8.547 0.764 3.025 1.00 0.00 O ATOM 1179 CB MET A 80 -11.461 1.868 3.413 1.00 0.00 C ATOM 1180 CG MET A 80 -12.119 0.528 3.129 1.00 0.00 C ATOM 1181 SD MET A 80 -13.873 0.684 2.743 1.00 0.00 S ATOM 1182 CE MET A 80 -14.335 -1.037 2.562 1.00 0.00 C ATOM 0 H MET A 80 -9.305 3.405 3.465 1.00 0.00 H new ATOM 0 HA MET A 80 -10.631 1.577 5.373 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.202 2.544 3.839 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.131 2.308 2.472 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.609 0.047 2.295 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.998 -0.123 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.251 -1.108 1.976 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.536 -1.577 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.499 -1.475 3.546 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.492 -0.511 4.621 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.681 -1.685 4.317 1.00 0.00 C ATOM 1194 C LEU A 81 -9.553 -2.929 4.183 1.00 0.00 C ATOM 1195 O LEU A 81 -10.493 -3.126 4.954 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.631 -1.899 5.408 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.625 -3.024 5.159 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.751 -2.702 3.957 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.769 -3.257 6.396 1.00 0.00 C ATOM 0 H LEU A 81 -10.156 -0.643 5.384 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.178 -1.513 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.080 -0.968 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.147 -2.101 6.347 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.177 -3.939 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.042 -3.514 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.377 -2.586 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.207 -1.776 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.059 -4.061 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.226 -2.344 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.409 -3.533 7.234 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.235 -3.766 3.201 1.00 0.00 N ATOM 1212 CA ILE A 82 -9.987 -4.992 2.969 1.00 0.00 C ATOM 1213 C ILE A 82 -9.082 -6.216 3.052 1.00 0.00 C ATOM 1214 O ILE A 82 -8.029 -6.267 2.416 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.683 -4.974 1.595 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.632 -3.778 1.496 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.437 -6.276 1.366 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.233 -3.597 0.120 1.00 0.00 C ATOM 0 H ILE A 82 -8.461 -3.617 2.553 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.745 -5.050 3.750 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.923 -4.876 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.436 -3.901 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.092 -2.872 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.924 -6.248 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.738 -7.112 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.190 -6.402 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -12.895 -2.731 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.436 -3.442 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.802 -4.487 -0.149 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.500 -7.203 3.839 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.716 -8.415 3.989 1.00 0.00 C ATOM 1232 C GLY A 83 -9.191 -9.274 5.144 1.00 0.00 C ATOM 1233 O GLY A 83 -9.967 -8.821 5.986 1.00 0.00 O ATOM 0 H GLY A 83 -10.367 -7.185 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.766 -8.993 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.670 -8.150 4.143 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.725 -10.517 5.186 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.107 -11.442 6.246 1.00 0.00 C ATOM 1239 C LYS A 84 -7.988 -11.583 7.274 1.00 0.00 C ATOM 1240 O LYS A 84 -6.854 -11.168 7.034 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.448 -12.813 5.657 1.00 0.00 C ATOM 1242 CG LYS A 84 -8.236 -13.704 5.448 1.00 0.00 C ATOM 1243 CD LYS A 84 -8.632 -15.064 4.898 1.00 0.00 C ATOM 1244 CE LYS A 84 -8.968 -16.041 6.015 1.00 0.00 C ATOM 1245 NZ LYS A 84 -9.368 -17.373 5.485 1.00 0.00 N ATOM 0 H LYS A 84 -8.082 -10.908 4.498 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.988 -11.039 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.150 -13.319 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.954 -12.673 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.542 -13.220 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.710 -13.832 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.493 -14.954 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.817 -15.465 4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.104 -16.155 6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.777 -15.634 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.589 -18.010 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.208 -17.268 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.587 -17.773 4.926 1.00 0.00 H new