USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 758 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 33 TYR OH : rot -140:sc= 0.969 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -2.49 K(o=-1.5,f=-15!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.571 K(o=-0.57,f=0.029) USER MOD Single : A 12 LYS NZ :NH3+ -126:sc= -0.0222 (180deg=-2.37!) USER MOD Single : A 19 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0329) USER MOD Single : A 25 TYR OH : rot -93:sc= 1.19 USER MOD Single : A 27 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.804 K(o=-0.8,f=-2.8) USER MOD Single : A 35 GLN : amide:sc= -0.0719 K(o=-0.072,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -179:sc= -0.071 (180deg=-0.0767) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0606) USER MOD Single : A 71 GLN : amide:sc= 1.48 K(o=1.5,f=-5.4!) USER MOD Single : A 74 TYR OH : rot -87:sc= -2.96! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= 0 X(o=0,f=0.0001) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.476 3.954 2.377 1.00 0.00 N ATOM 33 CA ARG A 3 -16.559 2.543 2.731 1.00 0.00 C ATOM 34 C ARG A 3 -16.331 1.660 1.509 1.00 0.00 C ATOM 35 O ARG A 3 -15.702 0.606 1.599 1.00 0.00 O ATOM 36 CB ARG A 3 -17.921 2.230 3.354 1.00 0.00 C ATOM 37 CG ARG A 3 -18.323 3.197 4.457 1.00 0.00 C ATOM 38 CD ARG A 3 -18.837 2.461 5.684 1.00 0.00 C ATOM 39 NE ARG A 3 -17.759 1.810 6.425 1.00 0.00 N ATOM 40 CZ ARG A 3 -17.949 1.077 7.519 1.00 0.00 C ATOM 41 NH1 ARG A 3 -19.171 0.898 8.002 1.00 0.00 N ATOM 42 NH2 ARG A 3 -16.912 0.520 8.132 1.00 0.00 N ATOM 0 HA ARG A 3 -15.777 2.332 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.681 2.247 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.902 1.218 3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.467 3.812 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.094 3.872 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.353 3.164 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.569 1.714 5.378 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.805 1.924 6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.972 1.323 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.310 0.335 8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.970 0.654 7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.057 -0.042 8.971 1.00 0.00 H new ATOM 56 N LYS A 4 -16.847 2.101 0.366 1.00 0.00 N ATOM 57 CA LYS A 4 -16.703 1.353 -0.878 1.00 0.00 C ATOM 58 C LYS A 4 -15.235 1.170 -1.239 1.00 0.00 C ATOM 59 O LYS A 4 -14.858 0.162 -1.835 1.00 0.00 O ATOM 60 CB LYS A 4 -17.439 2.062 -2.017 1.00 0.00 C ATOM 61 CG LYS A 4 -18.912 2.303 -1.730 1.00 0.00 C ATOM 62 CD LYS A 4 -19.713 1.014 -1.811 1.00 0.00 C ATOM 63 CE LYS A 4 -21.134 1.269 -2.288 1.00 0.00 C ATOM 64 NZ LYS A 4 -21.839 0.004 -2.635 1.00 0.00 N ATOM 0 H LYS A 4 -17.369 2.973 0.276 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.145 0.368 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.954 3.018 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.347 1.466 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.024 2.740 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.309 3.025 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.219 0.320 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.737 0.537 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.690 1.793 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.112 1.923 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.804 0.221 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.323 -0.484 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.883 -0.610 -1.797 1.00 0.00 H new ATOM 78 N VAL A 5 -14.406 2.141 -0.871 1.00 0.00 N ATOM 79 CA VAL A 5 -12.979 2.064 -1.158 1.00 0.00 C ATOM 80 C VAL A 5 -12.412 0.740 -0.663 1.00 0.00 C ATOM 81 O VAL A 5 -11.505 0.171 -1.270 1.00 0.00 O ATOM 82 CB VAL A 5 -12.204 3.224 -0.503 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.740 3.194 -0.918 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.842 4.559 -0.858 1.00 0.00 C ATOM 0 H VAL A 5 -14.695 2.985 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.860 2.137 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.250 3.102 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.211 4.021 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.292 2.251 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.667 3.289 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.282 5.367 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.830 4.692 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.872 4.576 -0.502 1.00 0.00 H new ATOM 94 N ALA A 6 -12.968 0.249 0.439 1.00 0.00 N ATOM 95 CA ALA A 6 -12.537 -1.016 1.015 1.00 0.00 C ATOM 96 C ALA A 6 -13.011 -2.183 0.162 1.00 0.00 C ATOM 97 O ALA A 6 -12.269 -3.137 -0.073 1.00 0.00 O ATOM 98 CB ALA A 6 -13.053 -1.152 2.440 1.00 0.00 C ATOM 0 H ALA A 6 -13.720 0.710 0.951 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.447 -1.031 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.723 -2.103 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.664 -0.335 3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.142 -1.116 2.437 1.00 0.00 H new ATOM 104 N ARG A 7 -14.255 -2.102 -0.304 1.00 0.00 N ATOM 105 CA ARG A 7 -14.828 -3.152 -1.138 1.00 0.00 C ATOM 106 C ARG A 7 -14.138 -3.206 -2.494 1.00 0.00 C ATOM 107 O ARG A 7 -13.946 -4.280 -3.059 1.00 0.00 O ATOM 108 CB ARG A 7 -16.333 -2.929 -1.316 1.00 0.00 C ATOM 109 CG ARG A 7 -17.189 -3.900 -0.520 1.00 0.00 C ATOM 110 CD ARG A 7 -18.378 -3.202 0.121 1.00 0.00 C ATOM 111 NE ARG A 7 -19.326 -4.154 0.698 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.217 -4.836 -0.016 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.287 -4.678 -1.332 1.00 0.00 N ATOM 114 NH2 ARG A 7 -21.043 -5.681 0.588 1.00 0.00 N ATOM 0 H ARG A 7 -14.884 -1.321 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.671 -4.107 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.579 -1.910 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.583 -3.019 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.543 -4.695 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.582 -4.371 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.025 -2.525 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.886 -2.592 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.303 -4.304 1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.655 -4.030 -1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.973 -5.204 -1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.994 -5.807 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.727 -6.204 0.041 1.00 0.00 H new ATOM 128 N GLU A 8 -13.765 -2.041 -3.010 1.00 0.00 N ATOM 129 CA GLU A 8 -13.093 -1.966 -4.300 1.00 0.00 C ATOM 130 C GLU A 8 -11.672 -2.499 -4.192 1.00 0.00 C ATOM 131 O GLU A 8 -11.256 -3.345 -4.984 1.00 0.00 O ATOM 132 CB GLU A 8 -13.075 -0.524 -4.810 1.00 0.00 C ATOM 133 CG GLU A 8 -14.452 0.008 -5.177 1.00 0.00 C ATOM 134 CD GLU A 8 -14.778 -0.186 -6.644 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.987 0.271 -7.495 1.00 0.00 O ATOM 136 OE2 GLU A 8 -15.825 -0.798 -6.944 1.00 0.00 O ATOM 0 H GLU A 8 -13.916 -1.140 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.645 -2.582 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.638 0.118 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.427 -0.464 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.206 -0.495 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.504 1.069 -4.934 1.00 0.00 H new ATOM 143 N PHE A 9 -10.934 -2.010 -3.202 1.00 0.00 N ATOM 144 CA PHE A 9 -9.562 -2.450 -2.986 1.00 0.00 C ATOM 145 C PHE A 9 -9.522 -3.953 -2.733 1.00 0.00 C ATOM 146 O PHE A 9 -8.658 -4.659 -3.253 1.00 0.00 O ATOM 147 CB PHE A 9 -8.943 -1.701 -1.803 1.00 0.00 C ATOM 148 CG PHE A 9 -7.539 -2.130 -1.482 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.521 -1.962 -2.407 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.239 -2.700 -0.257 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.229 -2.355 -2.114 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.949 -3.097 0.043 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.943 -2.924 -0.887 1.00 0.00 C ATOM 0 H PHE A 9 -11.263 -1.310 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.982 -2.229 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.946 -0.633 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.569 -1.850 -0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.740 -1.519 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.022 -2.836 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.444 -2.218 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.729 -3.541 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.934 -3.233 -0.656 1.00 0.00 H new ATOM 163 N ARG A 10 -10.470 -4.435 -1.935 1.00 0.00 N ATOM 164 CA ARG A 10 -10.552 -5.855 -1.617 1.00 0.00 C ATOM 165 C ARG A 10 -11.017 -6.655 -2.828 1.00 0.00 C ATOM 166 O ARG A 10 -10.419 -7.674 -3.175 1.00 0.00 O ATOM 167 CB ARG A 10 -11.501 -6.086 -0.440 1.00 0.00 C ATOM 168 CG ARG A 10 -11.583 -7.540 -0.004 1.00 0.00 C ATOM 169 CD ARG A 10 -12.974 -7.902 0.491 1.00 0.00 C ATOM 170 NE ARG A 10 -13.456 -9.148 -0.100 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.429 -9.890 0.423 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.032 -9.514 1.545 1.00 0.00 N ATOM 173 NH2 ARG A 10 -14.804 -11.011 -0.179 1.00 0.00 N ATOM 0 H ARG A 10 -11.192 -3.862 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.555 -6.197 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.174 -5.480 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.498 -5.740 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.315 -8.186 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.856 -7.724 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.959 -7.997 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.666 -7.095 0.251 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.021 -9.468 -0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.750 -8.652 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.777 -10.087 1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.347 -11.304 -1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.550 -11.580 0.221 1.00 0.00 H new ATOM 187 N HIS A 11 -12.088 -6.192 -3.470 1.00 0.00 N ATOM 188 CA HIS A 11 -12.622 -6.879 -4.643 1.00 0.00 C ATOM 189 C HIS A 11 -11.574 -6.968 -5.744 1.00 0.00 C ATOM 190 O HIS A 11 -11.414 -8.012 -6.377 1.00 0.00 O ATOM 191 CB HIS A 11 -13.870 -6.161 -5.161 1.00 0.00 C ATOM 192 CG HIS A 11 -14.629 -6.946 -6.187 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.814 -6.510 -6.742 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.365 -8.145 -6.758 1.00 0.00 C ATOM 195 CE1 HIS A 11 -16.247 -7.408 -7.609 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.387 -8.410 -7.638 1.00 0.00 N ATOM 0 H HIS A 11 -12.599 -5.351 -3.200 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.896 -7.891 -4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.529 -5.944 -4.321 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.576 -5.204 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.511 -8.775 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.151 -7.335 -8.195 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.468 -9.245 -8.219 1.00 0.00 H new ATOM 205 N LYS A 12 -10.856 -5.872 -5.968 1.00 0.00 N ATOM 206 CA LYS A 12 -9.819 -5.839 -6.993 1.00 0.00 C ATOM 207 C LYS A 12 -8.753 -6.891 -6.707 1.00 0.00 C ATOM 208 O LYS A 12 -8.446 -7.729 -7.557 1.00 0.00 O ATOM 209 CB LYS A 12 -9.180 -4.449 -7.067 1.00 0.00 C ATOM 210 CG LYS A 12 -9.506 -3.698 -8.347 1.00 0.00 C ATOM 211 CD LYS A 12 -8.400 -3.850 -9.382 1.00 0.00 C ATOM 212 CE LYS A 12 -8.906 -4.522 -10.647 1.00 0.00 C ATOM 213 NZ LYS A 12 -8.834 -6.008 -10.558 1.00 0.00 N ATOM 0 H LYS A 12 -10.973 -4.998 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.282 -6.062 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.514 -3.859 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.098 -4.550 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.444 -4.070 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.653 -2.641 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.994 -2.869 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.584 -4.436 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.937 -4.220 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.317 -4.181 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.302 -6.379 -11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.353 -6.280 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.796 -6.403 -10.564 1.00 0.00 H new ATOM 227 N VAL A 13 -8.198 -6.849 -5.497 1.00 0.00 N ATOM 228 CA VAL A 13 -7.171 -7.801 -5.098 1.00 0.00 C ATOM 229 C VAL A 13 -7.647 -9.233 -5.318 1.00 0.00 C ATOM 230 O VAL A 13 -6.873 -10.099 -5.723 1.00 0.00 O ATOM 231 CB VAL A 13 -6.775 -7.622 -3.619 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.638 -8.565 -3.248 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.387 -6.177 -3.343 1.00 0.00 C ATOM 0 H VAL A 13 -8.444 -6.167 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.297 -7.607 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.637 -7.870 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.374 -8.422 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.954 -9.596 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.770 -8.352 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.110 -6.069 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.541 -5.901 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.232 -5.525 -3.565 1.00 0.00 H new ATOM 243 N ASP A 14 -8.926 -9.471 -5.059 1.00 0.00 N ATOM 244 CA ASP A 14 -9.501 -10.795 -5.242 1.00 0.00 C ATOM 245 C ASP A 14 -9.586 -11.142 -6.724 1.00 0.00 C ATOM 246 O ASP A 14 -9.516 -12.312 -7.101 1.00 0.00 O ATOM 247 CB ASP A 14 -10.891 -10.866 -4.606 1.00 0.00 C ATOM 248 CG ASP A 14 -11.496 -12.253 -4.692 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.726 -13.236 -4.726 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.741 -12.357 -4.727 1.00 0.00 O ATOM 0 H ASP A 14 -9.582 -8.766 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.852 -11.520 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.825 -10.566 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.551 -10.153 -5.101 1.00 0.00 H new ATOM 255 N PHE A 15 -9.730 -10.118 -7.562 1.00 0.00 N ATOM 256 CA PHE A 15 -9.813 -10.316 -9.002 1.00 0.00 C ATOM 257 C PHE A 15 -8.469 -10.765 -9.558 1.00 0.00 C ATOM 258 O PHE A 15 -8.403 -11.522 -10.527 1.00 0.00 O ATOM 259 CB PHE A 15 -10.264 -9.024 -9.691 1.00 0.00 C ATOM 260 CG PHE A 15 -11.514 -9.186 -10.509 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.537 -10.033 -11.604 1.00 0.00 C ATOM 262 CD2 PHE A 15 -12.667 -8.490 -10.179 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.686 -10.184 -12.358 1.00 0.00 C ATOM 264 CE2 PHE A 15 -13.819 -8.637 -10.929 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.828 -9.484 -12.019 1.00 0.00 C ATOM 0 H PHE A 15 -9.791 -9.144 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.548 -11.096 -9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.431 -8.257 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.461 -8.666 -10.336 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.647 -10.582 -11.872 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.665 -7.826 -9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.691 -10.848 -13.210 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.711 -8.090 -10.662 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.727 -9.599 -12.606 1.00 0.00 H new ATOM 275 N LEU A 16 -7.401 -10.284 -8.937 1.00 0.00 N ATOM 276 CA LEU A 16 -6.046 -10.618 -9.361 1.00 0.00 C ATOM 277 C LEU A 16 -5.602 -11.956 -8.783 1.00 0.00 C ATOM 278 O LEU A 16 -5.133 -12.834 -9.508 1.00 0.00 O ATOM 279 CB LEU A 16 -5.072 -9.516 -8.940 1.00 0.00 C ATOM 280 CG LEU A 16 -5.649 -8.098 -8.969 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.752 -7.141 -8.196 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.827 -7.626 -10.405 1.00 0.00 C ATOM 0 H LEU A 16 -7.446 -9.658 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.045 -10.700 -10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.720 -9.729 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.201 -9.551 -9.595 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.627 -8.113 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.178 -6.138 -8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.676 -7.471 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.760 -7.128 -8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.238 -6.616 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.861 -7.626 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.509 -8.297 -10.927 1.00 0.00 H new ATOM 294 N ILE A 17 -5.749 -12.103 -7.474 1.00 0.00 N ATOM 295 CA ILE A 17 -5.363 -13.331 -6.792 1.00 0.00 C ATOM 296 C ILE A 17 -6.365 -14.438 -7.034 1.00 0.00 C ATOM 297 O ILE A 17 -6.009 -15.529 -7.478 1.00 0.00 O ATOM 298 CB ILE A 17 -5.241 -13.124 -5.272 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.435 -11.868 -4.964 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.598 -14.339 -4.625 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.007 -11.925 -5.461 1.00 0.00 C ATOM 0 H ILE A 17 -6.134 -11.385 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.393 -13.612 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.242 -12.998 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.933 -11.008 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.429 -11.706 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.518 -14.179 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.211 -15.220 -4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.603 -14.491 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.496 -10.997 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.492 -12.764 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.003 -12.055 -6.543 1.00 0.00 H new ATOM 313 N GLU A 18 -7.617 -14.161 -6.708 1.00 0.00 N ATOM 314 CA GLU A 18 -8.668 -15.138 -6.854 1.00 0.00 C ATOM 315 C GLU A 18 -8.427 -16.319 -5.929 1.00 0.00 C ATOM 316 O GLU A 18 -9.161 -17.307 -5.946 1.00 0.00 O ATOM 317 CB GLU A 18 -8.763 -15.589 -8.298 1.00 0.00 C ATOM 318 CG GLU A 18 -8.682 -14.450 -9.297 1.00 0.00 C ATOM 319 CD GLU A 18 -9.294 -14.803 -10.638 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.464 -15.242 -10.658 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.605 -14.643 -11.666 1.00 0.00 O ATOM 0 H GLU A 18 -7.925 -13.261 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.617 -14.681 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.960 -16.298 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.703 -16.122 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.191 -13.577 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.638 -14.172 -9.441 1.00 0.00 H new ATOM 328 N ASN A 19 -7.386 -16.196 -5.126 1.00 0.00 N ATOM 329 CA ASN A 19 -7.014 -17.236 -4.178 1.00 0.00 C ATOM 330 C ASN A 19 -7.376 -16.831 -2.752 1.00 0.00 C ATOM 331 O ASN A 19 -7.817 -15.708 -2.509 1.00 0.00 O ATOM 332 CB ASN A 19 -5.515 -17.527 -4.272 1.00 0.00 C ATOM 333 CG ASN A 19 -5.181 -18.964 -3.922 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.889 -19.892 -4.317 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.099 -19.156 -3.177 1.00 0.00 N ATOM 0 H ASN A 19 -6.776 -15.378 -5.110 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.570 -18.138 -4.431 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.169 -17.313 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.975 -16.858 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.825 -20.101 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.542 -18.358 -2.872 1.00 0.00 H new ATOM 342 N ASP A 20 -7.187 -17.754 -1.815 1.00 0.00 N ATOM 343 CA ASP A 20 -7.492 -17.495 -0.415 1.00 0.00 C ATOM 344 C ASP A 20 -6.214 -17.359 0.405 1.00 0.00 C ATOM 345 O ASP A 20 -6.027 -16.376 1.122 1.00 0.00 O ATOM 346 CB ASP A 20 -8.365 -18.615 0.156 1.00 0.00 C ATOM 347 CG ASP A 20 -9.518 -18.083 0.985 1.00 0.00 C ATOM 348 OD1 ASP A 20 -9.274 -17.218 1.853 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.663 -18.531 0.769 1.00 0.00 O ATOM 0 H ASP A 20 -6.824 -18.689 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.039 -16.554 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.757 -19.219 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.751 -19.272 0.772 1.00 0.00 H new ATOM 354 N ALA A 21 -5.335 -18.351 0.293 1.00 0.00 N ATOM 355 CA ALA A 21 -4.073 -18.337 1.024 1.00 0.00 C ATOM 356 C ALA A 21 -3.277 -17.075 0.717 1.00 0.00 C ATOM 357 O ALA A 21 -2.682 -16.469 1.609 1.00 0.00 O ATOM 358 CB ALA A 21 -3.254 -19.575 0.687 1.00 0.00 C ATOM 0 H ALA A 21 -5.473 -19.172 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.298 -18.343 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.315 -19.551 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.815 -20.468 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.045 -19.593 -0.383 1.00 0.00 H new ATOM 364 N GLU A 22 -3.277 -16.683 -0.550 1.00 0.00 N ATOM 365 CA GLU A 22 -2.559 -15.489 -0.981 1.00 0.00 C ATOM 366 C GLU A 22 -3.169 -14.240 -0.358 1.00 0.00 C ATOM 367 O GLU A 22 -2.455 -13.389 0.170 1.00 0.00 O ATOM 368 CB GLU A 22 -2.583 -15.380 -2.507 1.00 0.00 C ATOM 369 CG GLU A 22 -1.498 -16.196 -3.192 1.00 0.00 C ATOM 370 CD GLU A 22 -0.436 -15.330 -3.839 1.00 0.00 C ATOM 371 OE1 GLU A 22 -0.765 -14.201 -4.260 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.727 -15.780 -3.925 1.00 0.00 O ATOM 0 H GLU A 22 -3.766 -17.174 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.525 -15.572 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.557 -15.707 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.472 -14.333 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.028 -16.855 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.953 -16.834 -3.950 1.00 0.00 H new ATOM 379 N LYS A 23 -4.493 -14.140 -0.413 1.00 0.00 N ATOM 380 CA LYS A 23 -5.193 -12.997 0.159 1.00 0.00 C ATOM 381 C LYS A 23 -4.944 -12.921 1.656 1.00 0.00 C ATOM 382 O LYS A 23 -4.876 -11.836 2.230 1.00 0.00 O ATOM 383 CB LYS A 23 -6.695 -13.092 -0.122 1.00 0.00 C ATOM 384 CG LYS A 23 -7.345 -11.749 -0.412 1.00 0.00 C ATOM 385 CD LYS A 23 -8.861 -11.840 -0.358 1.00 0.00 C ATOM 386 CE LYS A 23 -9.428 -12.455 -1.626 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.816 -12.956 -1.429 1.00 0.00 N ATOM 0 H LYS A 23 -5.101 -14.835 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.809 -12.090 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.856 -13.755 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.189 -13.548 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.998 -11.012 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.035 -11.399 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.160 -12.438 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.281 -10.844 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.420 -11.713 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.788 -13.276 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.141 -13.428 -2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.832 -13.633 -0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.446 -12.157 -1.213 1.00 0.00 H new ATOM 401 N ASP A 24 -4.790 -14.082 2.283 1.00 0.00 N ATOM 402 CA ASP A 24 -4.527 -14.141 3.713 1.00 0.00 C ATOM 403 C ASP A 24 -3.205 -13.455 4.026 1.00 0.00 C ATOM 404 O ASP A 24 -3.135 -12.580 4.889 1.00 0.00 O ATOM 405 CB ASP A 24 -4.493 -15.595 4.190 1.00 0.00 C ATOM 406 CG ASP A 24 -4.644 -15.712 5.694 1.00 0.00 C ATOM 407 OD1 ASP A 24 -5.282 -14.823 6.299 1.00 0.00 O ATOM 408 OD2 ASP A 24 -4.125 -16.692 6.267 1.00 0.00 O ATOM 0 H ASP A 24 -4.843 -14.991 1.824 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.329 -13.623 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.292 -16.154 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.552 -16.053 3.885 1.00 0.00 H new ATOM 413 N TYR A 25 -2.155 -13.851 3.309 1.00 0.00 N ATOM 414 CA TYR A 25 -0.836 -13.265 3.504 1.00 0.00 C ATOM 415 C TYR A 25 -0.826 -11.810 3.068 1.00 0.00 C ATOM 416 O TYR A 25 -0.284 -10.953 3.764 1.00 0.00 O ATOM 417 CB TYR A 25 0.226 -14.056 2.739 1.00 0.00 C ATOM 418 CG TYR A 25 1.644 -13.667 3.094 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.257 -14.169 4.234 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.367 -12.796 2.288 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.552 -13.815 4.562 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.663 -12.439 2.609 1.00 0.00 C ATOM 423 CZ TYR A 25 4.250 -12.951 3.746 1.00 0.00 C ATOM 424 OH TYR A 25 5.539 -12.596 4.070 1.00 0.00 O ATOM 0 H TYR A 25 -2.194 -14.574 2.590 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.600 -13.309 4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.089 -15.119 2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.075 -13.910 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.713 -14.847 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.909 -12.392 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.015 -14.213 5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.213 -11.762 1.972 1.00 0.00 H new ATOM 0 HH TYR A 25 5.528 -11.767 4.593 1.00 0.00 H new ATOM 434 N LEU A 26 -1.447 -11.523 1.928 1.00 0.00 N ATOM 435 CA LEU A 26 -1.513 -10.153 1.444 1.00 0.00 C ATOM 436 C LEU A 26 -2.172 -9.298 2.507 1.00 0.00 C ATOM 437 O LEU A 26 -1.665 -8.236 2.870 1.00 0.00 O ATOM 438 CB LEU A 26 -2.295 -10.073 0.129 1.00 0.00 C ATOM 439 CG LEU A 26 -1.967 -8.864 -0.754 1.00 0.00 C ATOM 440 CD1 LEU A 26 -2.960 -8.758 -1.902 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.960 -7.582 0.068 1.00 0.00 C ATOM 0 H LEU A 26 -1.905 -12.212 1.331 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.505 -9.789 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.107 -10.982 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.360 -10.056 0.359 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.970 -9.006 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.712 -7.894 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.913 -9.662 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.967 -8.641 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.725 -6.737 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.942 -7.433 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.208 -7.658 0.854 1.00 0.00 H new ATOM 453 N TYR A 27 -3.281 -9.795 3.041 1.00 0.00 N ATOM 454 CA TYR A 27 -3.966 -9.093 4.110 1.00 0.00 C ATOM 455 C TYR A 27 -3.013 -8.955 5.291 1.00 0.00 C ATOM 456 O TYR A 27 -3.058 -7.975 6.033 1.00 0.00 O ATOM 457 CB TYR A 27 -5.234 -9.840 4.532 1.00 0.00 C ATOM 458 CG TYR A 27 -6.510 -9.174 4.069 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.748 -7.831 4.333 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.474 -9.884 3.366 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.910 -7.216 3.912 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.641 -9.276 2.942 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.854 -7.942 3.218 1.00 0.00 C ATOM 464 OH TYR A 27 -10.014 -7.333 2.798 1.00 0.00 O ATOM 0 H TYR A 27 -3.718 -10.671 2.753 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.268 -8.106 3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.198 -10.854 4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.251 -9.925 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.011 -7.258 4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.309 -10.929 3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.079 -6.171 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.382 -9.843 2.398 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.841 -6.384 2.625 1.00 0.00 H new ATOM 474 N ASP A 28 -2.124 -9.945 5.437 1.00 0.00 N ATOM 475 CA ASP A 28 -1.136 -9.929 6.502 1.00 0.00 C ATOM 476 C ASP A 28 -0.065 -8.884 6.207 1.00 0.00 C ATOM 477 O ASP A 28 0.470 -8.259 7.121 1.00 0.00 O ATOM 478 CB ASP A 28 -0.494 -11.309 6.656 1.00 0.00 C ATOM 479 CG ASP A 28 0.169 -11.491 8.009 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.435 -11.086 9.025 1.00 0.00 O ATOM 481 OD2 ASP A 28 1.290 -12.039 8.051 1.00 0.00 O ATOM 0 H ASP A 28 -2.075 -10.762 4.828 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.636 -9.671 7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.255 -12.078 6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.247 -11.452 5.869 1.00 0.00 H new ATOM 486 N VAL A 29 0.237 -8.689 4.920 1.00 0.00 N ATOM 487 CA VAL A 29 1.238 -7.708 4.522 1.00 0.00 C ATOM 488 C VAL A 29 0.764 -6.297 4.848 1.00 0.00 C ATOM 489 O VAL A 29 1.490 -5.514 5.461 1.00 0.00 O ATOM 490 CB VAL A 29 1.561 -7.804 3.017 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.643 -6.805 2.633 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.980 -9.218 2.651 1.00 0.00 C ATOM 0 H VAL A 29 -0.195 -9.194 4.146 1.00 0.00 H new ATOM 0 HA VAL A 29 2.146 -7.927 5.084 1.00 0.00 H new ATOM 0 HB VAL A 29 0.659 -7.558 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.855 -6.890 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.301 -5.794 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.549 -7.014 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.204 -9.267 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.867 -9.494 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.170 -9.909 2.883 1.00 0.00 H new ATOM 502 N LEU A 30 -0.461 -5.982 4.446 1.00 0.00 N ATOM 503 CA LEU A 30 -1.033 -4.669 4.708 1.00 0.00 C ATOM 504 C LEU A 30 -1.173 -4.447 6.209 1.00 0.00 C ATOM 505 O LEU A 30 -0.963 -3.342 6.709 1.00 0.00 O ATOM 506 CB LEU A 30 -2.397 -4.533 4.027 1.00 0.00 C ATOM 507 CG LEU A 30 -2.375 -4.668 2.504 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.652 -5.330 2.008 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.192 -3.306 1.852 1.00 0.00 C ATOM 0 H LEU A 30 -1.076 -6.617 3.938 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.364 -3.912 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.067 -5.290 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.820 -3.562 4.285 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.531 -5.299 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.618 -5.418 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.742 -6.322 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.511 -4.725 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.179 -3.420 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.016 -2.652 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.250 -2.868 2.182 1.00 0.00 H new ATOM 521 N ARG A 31 -1.521 -5.514 6.922 1.00 0.00 N ATOM 522 CA ARG A 31 -1.682 -5.447 8.368 1.00 0.00 C ATOM 523 C ARG A 31 -0.351 -5.117 9.034 1.00 0.00 C ATOM 524 O ARG A 31 -0.280 -4.255 9.911 1.00 0.00 O ATOM 525 CB ARG A 31 -2.227 -6.773 8.907 1.00 0.00 C ATOM 526 CG ARG A 31 -3.580 -6.640 9.588 1.00 0.00 C ATOM 527 CD ARG A 31 -4.561 -7.698 9.105 1.00 0.00 C ATOM 528 NE ARG A 31 -4.856 -8.685 10.141 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.054 -9.701 10.447 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.907 -9.869 9.801 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.401 -10.554 11.402 1.00 0.00 N ATOM 0 H ARG A 31 -1.697 -6.435 6.520 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.396 -4.657 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.311 -7.483 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.512 -7.190 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.454 -6.727 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.989 -5.649 9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.486 -7.217 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.149 -8.202 8.231 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.729 -8.589 10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.636 -9.217 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.296 -10.650 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.282 -10.430 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.787 -11.333 11.637 1.00 0.00 H new ATOM 545 N MET A 32 0.706 -5.800 8.603 1.00 0.00 N ATOM 546 CA MET A 32 2.035 -5.568 9.150 1.00 0.00 C ATOM 547 C MET A 32 2.499 -4.155 8.821 1.00 0.00 C ATOM 548 O MET A 32 3.155 -3.499 9.630 1.00 0.00 O ATOM 549 CB MET A 32 3.027 -6.593 8.594 1.00 0.00 C ATOM 550 CG MET A 32 3.803 -7.333 9.670 1.00 0.00 C ATOM 551 SD MET A 32 5.537 -7.581 9.233 1.00 0.00 S ATOM 552 CE MET A 32 6.339 -7.142 10.773 1.00 0.00 C ATOM 0 H MET A 32 0.666 -6.517 7.878 1.00 0.00 H new ATOM 0 HA MET A 32 1.990 -5.680 10.233 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.486 -7.317 7.985 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.731 -6.085 7.935 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.744 -6.774 10.604 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.335 -8.301 9.848 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.419 -7.245 10.663 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.097 -6.110 11.028 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.990 -7.803 11.566 1.00 0.00 H new ATOM 562 N TYR A 33 2.144 -3.693 7.628 1.00 0.00 N ATOM 563 CA TYR A 33 2.510 -2.356 7.180 1.00 0.00 C ATOM 564 C TYR A 33 1.874 -1.296 8.075 1.00 0.00 C ATOM 565 O TYR A 33 2.461 -0.246 8.324 1.00 0.00 O ATOM 566 CB TYR A 33 2.073 -2.153 5.725 1.00 0.00 C ATOM 567 CG TYR A 33 2.223 -0.731 5.227 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.305 0.053 5.613 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.282 -0.173 4.371 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.443 1.351 5.158 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.412 1.123 3.914 1.00 0.00 C ATOM 572 CZ TYR A 33 2.494 1.881 4.310 1.00 0.00 C ATOM 573 OH TYR A 33 2.627 3.172 3.857 1.00 0.00 O ATOM 0 H TYR A 33 1.600 -4.228 6.951 1.00 0.00 H new ATOM 0 HA TYR A 33 3.593 -2.253 7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.658 -2.814 5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.030 -2.454 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.049 -0.359 6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.434 -0.764 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.290 1.947 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.670 1.541 3.250 1.00 0.00 H new ATOM 0 HH TYR A 33 1.749 3.608 3.848 1.00 0.00 H new ATOM 583 N HIS A 34 0.668 -1.582 8.553 1.00 0.00 N ATOM 584 CA HIS A 34 -0.052 -0.655 9.420 1.00 0.00 C ATOM 585 C HIS A 34 0.536 -0.656 10.828 1.00 0.00 C ATOM 586 O HIS A 34 0.493 0.356 11.528 1.00 0.00 O ATOM 587 CB HIS A 34 -1.536 -1.028 9.471 1.00 0.00 C ATOM 588 CG HIS A 34 -2.346 -0.150 10.375 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.322 -0.259 11.749 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.211 0.852 10.094 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.138 0.638 12.274 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.689 1.326 11.291 1.00 0.00 N ATOM 0 H HIS A 34 0.168 -2.449 8.355 1.00 0.00 H new ATOM 0 HA HIS A 34 0.051 0.348 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.949 -0.977 8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.631 -2.062 9.803 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.762 -0.928 12.278 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.476 1.212 9.111 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.323 0.784 13.328 1.00 0.00 H new ATOM 601 N GLN A 35 1.079 -1.797 11.239 1.00 0.00 N ATOM 602 CA GLN A 35 1.668 -1.926 12.568 1.00 0.00 C ATOM 603 C GLN A 35 3.054 -1.297 12.627 1.00 0.00 C ATOM 604 O GLN A 35 3.288 -0.351 13.381 1.00 0.00 O ATOM 605 CB GLN A 35 1.751 -3.401 12.968 1.00 0.00 C ATOM 606 CG GLN A 35 0.411 -4.000 13.361 1.00 0.00 C ATOM 607 CD GLN A 35 -0.017 -3.601 14.760 1.00 0.00 C ATOM 608 OE1 GLN A 35 -0.402 -2.457 15.001 1.00 0.00 O ATOM 609 NE2 GLN A 35 0.049 -4.546 15.691 1.00 0.00 N ATOM 0 H GLN A 35 1.124 -2.644 10.673 1.00 0.00 H new ATOM 0 HA GLN A 35 1.024 -1.395 13.269 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.165 -3.972 12.137 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.445 -3.504 13.802 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.349 -3.681 12.648 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.470 -5.087 13.299 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.374 -5.481 15.446 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.226 -4.336 16.651 1.00 0.00 H new ATOM 618 N THR A 36 3.971 -1.834 11.835 1.00 0.00 N ATOM 619 CA THR A 36 5.342 -1.335 11.799 1.00 0.00 C ATOM 620 C THR A 36 5.428 0.015 11.093 1.00 0.00 C ATOM 621 O THR A 36 6.335 0.803 11.357 1.00 0.00 O ATOM 622 CB THR A 36 6.255 -2.344 11.102 1.00 0.00 C ATOM 623 OG1 THR A 36 7.564 -1.823 10.962 1.00 0.00 O ATOM 624 CG2 THR A 36 5.770 -2.742 9.725 1.00 0.00 C ATOM 0 H THR A 36 3.792 -2.617 11.207 1.00 0.00 H new ATOM 0 HA THR A 36 5.671 -1.200 12.829 1.00 0.00 H new ATOM 0 HB THR A 36 6.247 -3.227 11.741 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.133 -2.484 10.515 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.464 -3.460 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.782 -3.195 9.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.714 -1.858 9.089 1.00 0.00 H new ATOM 632 N MET A 37 4.487 0.276 10.190 1.00 0.00 N ATOM 633 CA MET A 37 4.473 1.533 9.450 1.00 0.00 C ATOM 634 C MET A 37 5.715 1.655 8.573 1.00 0.00 C ATOM 635 O MET A 37 6.234 2.751 8.361 1.00 0.00 O ATOM 636 CB MET A 37 4.393 2.720 10.413 1.00 0.00 C ATOM 637 CG MET A 37 3.454 3.820 9.947 1.00 0.00 C ATOM 638 SD MET A 37 1.760 3.574 10.514 1.00 0.00 S ATOM 639 CE MET A 37 0.963 3.069 8.991 1.00 0.00 C ATOM 0 H MET A 37 3.728 -0.363 9.954 1.00 0.00 H new ATOM 0 HA MET A 37 3.592 1.540 8.809 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.065 2.363 11.389 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.391 3.138 10.545 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.818 4.781 10.310 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.466 3.865 8.858 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.097 2.897 9.175 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.079 3.853 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.422 2.150 8.628 1.00 0.00 H new ATOM 649 N ASP A 38 6.189 0.520 8.068 1.00 0.00 N ATOM 650 CA ASP A 38 7.372 0.495 7.215 1.00 0.00 C ATOM 651 C ASP A 38 7.015 0.072 5.794 1.00 0.00 C ATOM 652 O ASP A 38 6.621 -1.069 5.556 1.00 0.00 O ATOM 653 CB ASP A 38 8.421 -0.456 7.793 1.00 0.00 C ATOM 654 CG ASP A 38 9.818 -0.153 7.288 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.940 0.394 6.172 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.790 -0.461 8.009 1.00 0.00 O ATOM 0 H ASP A 38 5.771 -0.395 8.235 1.00 0.00 H new ATOM 0 HA ASP A 38 7.783 1.504 7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.408 -0.388 8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.159 -1.482 7.534 1.00 0.00 H new ATOM 661 N VAL A 39 7.158 0.999 4.854 1.00 0.00 N ATOM 662 CA VAL A 39 6.855 0.726 3.455 1.00 0.00 C ATOM 663 C VAL A 39 7.819 -0.305 2.874 1.00 0.00 C ATOM 664 O VAL A 39 7.503 -0.981 1.894 1.00 0.00 O ATOM 665 CB VAL A 39 6.919 2.008 2.603 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.350 1.757 1.214 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.180 3.146 3.291 1.00 0.00 C ATOM 0 H VAL A 39 7.483 1.949 5.036 1.00 0.00 H new ATOM 0 HA VAL A 39 5.840 0.330 3.425 1.00 0.00 H new ATOM 0 HB VAL A 39 7.965 2.297 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.404 2.674 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.928 0.976 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.310 1.441 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.237 4.042 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.136 2.868 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.638 3.344 4.260 1.00 0.00 H new ATOM 677 N ALA A 40 8.992 -0.431 3.489 1.00 0.00 N ATOM 678 CA ALA A 40 9.991 -1.385 3.034 1.00 0.00 C ATOM 679 C ALA A 40 9.576 -2.801 3.395 1.00 0.00 C ATOM 680 O ALA A 40 9.956 -3.763 2.726 1.00 0.00 O ATOM 681 CB ALA A 40 11.350 -1.058 3.636 1.00 0.00 C ATOM 0 H ALA A 40 9.271 0.117 4.303 1.00 0.00 H new ATOM 0 HA ALA A 40 10.068 -1.315 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.087 -1.781 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.652 -0.056 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.287 -1.102 4.723 1.00 0.00 H new ATOM 687 N VAL A 41 8.788 -2.922 4.457 1.00 0.00 N ATOM 688 CA VAL A 41 8.313 -4.217 4.906 1.00 0.00 C ATOM 689 C VAL A 41 7.153 -4.697 4.037 1.00 0.00 C ATOM 690 O VAL A 41 7.098 -5.863 3.644 1.00 0.00 O ATOM 691 CB VAL A 41 7.869 -4.171 6.383 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.303 -5.514 6.823 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.034 -3.764 7.274 1.00 0.00 C ATOM 0 H VAL A 41 8.466 -2.135 5.021 1.00 0.00 H new ATOM 0 HA VAL A 41 9.143 -4.918 4.815 1.00 0.00 H new ATOM 0 HB VAL A 41 7.080 -3.425 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.997 -5.455 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.440 -5.765 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.066 -6.285 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.705 -3.736 8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.843 -4.487 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.390 -2.777 6.979 1.00 0.00 H new ATOM 703 N LEU A 42 6.232 -3.786 3.736 1.00 0.00 N ATOM 704 CA LEU A 42 5.078 -4.114 2.910 1.00 0.00 C ATOM 705 C LEU A 42 5.521 -4.515 1.504 1.00 0.00 C ATOM 706 O LEU A 42 4.971 -5.445 0.913 1.00 0.00 O ATOM 707 CB LEU A 42 4.102 -2.931 2.856 1.00 0.00 C ATOM 708 CG LEU A 42 4.377 -1.892 1.766 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.763 -2.330 0.444 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.836 -0.531 2.182 1.00 0.00 C ATOM 0 H LEU A 42 6.264 -2.817 4.052 1.00 0.00 H new ATOM 0 HA LEU A 42 4.562 -4.962 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.094 -3.321 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.116 -2.428 3.823 1.00 0.00 H new ATOM 0 HG LEU A 42 5.455 -1.809 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.969 -1.579 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.195 -3.284 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.685 -2.441 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.039 0.197 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.760 -0.601 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.321 -0.213 3.105 1.00 0.00 H new ATOM 722 N VAL A 43 6.522 -3.813 0.978 1.00 0.00 N ATOM 723 CA VAL A 43 7.037 -4.109 -0.352 1.00 0.00 C ATOM 724 C VAL A 43 7.724 -5.469 -0.371 1.00 0.00 C ATOM 725 O VAL A 43 7.568 -6.242 -1.316 1.00 0.00 O ATOM 726 CB VAL A 43 8.033 -3.032 -0.827 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.503 -3.318 -2.247 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.406 -1.649 -0.737 1.00 0.00 C ATOM 0 H VAL A 43 6.989 -3.040 1.451 1.00 0.00 H new ATOM 0 HA VAL A 43 6.185 -4.120 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 43 8.903 -3.059 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.205 -2.545 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.996 -4.290 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.645 -3.324 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.123 -0.902 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.517 -1.611 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.128 -1.442 0.296 1.00 0.00 H new ATOM 738 N GLY A 44 8.479 -5.759 0.685 1.00 0.00 N ATOM 739 CA GLY A 44 9.174 -7.029 0.775 1.00 0.00 C ATOM 740 C GLY A 44 8.229 -8.207 0.653 1.00 0.00 C ATOM 741 O GLY A 44 8.439 -9.097 -0.172 1.00 0.00 O ATOM 0 H GLY A 44 8.621 -5.136 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.927 -7.086 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.702 -7.086 1.727 1.00 0.00 H new ATOM 745 N ASP A 45 7.181 -8.209 1.469 1.00 0.00 N ATOM 746 CA ASP A 45 6.194 -9.284 1.441 1.00 0.00 C ATOM 747 C ASP A 45 5.445 -9.287 0.113 1.00 0.00 C ATOM 748 O ASP A 45 5.286 -10.334 -0.521 1.00 0.00 O ATOM 749 CB ASP A 45 5.208 -9.130 2.600 1.00 0.00 C ATOM 750 CG ASP A 45 5.852 -9.392 3.947 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.909 -8.788 4.227 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.300 -10.200 4.722 1.00 0.00 O ATOM 0 H ASP A 45 6.992 -7.480 2.157 1.00 0.00 H new ATOM 0 HA ASP A 45 6.717 -10.234 1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.793 -8.122 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.375 -9.819 2.459 1.00 0.00 H new ATOM 757 N LEU A 46 4.992 -8.109 -0.309 1.00 0.00 N ATOM 758 CA LEU A 46 4.264 -7.975 -1.565 1.00 0.00 C ATOM 759 C LEU A 46 5.028 -8.642 -2.704 1.00 0.00 C ATOM 760 O LEU A 46 4.445 -9.359 -3.513 1.00 0.00 O ATOM 761 CB LEU A 46 4.024 -6.497 -1.886 1.00 0.00 C ATOM 762 CG LEU A 46 2.677 -5.941 -1.417 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.619 -4.436 -1.628 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.529 -6.625 -2.148 1.00 0.00 C ATOM 0 H LEU A 46 5.117 -7.235 0.201 1.00 0.00 H new ATOM 0 HA LEU A 46 3.300 -8.473 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.821 -5.908 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.101 -6.358 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 46 2.576 -6.145 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.654 -4.058 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.416 -3.958 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.745 -4.212 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.581 -6.215 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.627 -6.454 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.557 -7.696 -1.948 1.00 0.00 H new ATOM 776 N LYS A 47 6.337 -8.408 -2.755 1.00 0.00 N ATOM 777 CA LYS A 47 7.176 -8.999 -3.791 1.00 0.00 C ATOM 778 C LYS A 47 7.170 -10.521 -3.683 1.00 0.00 C ATOM 779 O LYS A 47 6.928 -11.226 -4.665 1.00 0.00 O ATOM 780 CB LYS A 47 8.610 -8.470 -3.680 1.00 0.00 C ATOM 781 CG LYS A 47 8.890 -7.279 -4.583 1.00 0.00 C ATOM 782 CD LYS A 47 9.599 -6.163 -3.831 1.00 0.00 C ATOM 783 CE LYS A 47 11.099 -6.404 -3.763 1.00 0.00 C ATOM 784 NZ LYS A 47 11.662 -6.026 -2.438 1.00 0.00 N ATOM 0 H LYS A 47 6.837 -7.815 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 47 6.770 -8.718 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.805 -8.185 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.305 -9.273 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.503 -7.597 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.952 -6.904 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.404 -5.210 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.195 -6.089 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.307 -7.456 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.595 -5.830 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.686 -6.205 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.486 -5.016 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.207 -6.592 -1.693 1.00 0.00 H new ATOM 798 N LEU A 48 7.425 -11.022 -2.475 1.00 0.00 N ATOM 799 CA LEU A 48 7.438 -12.461 -2.234 1.00 0.00 C ATOM 800 C LEU A 48 6.154 -13.099 -2.750 1.00 0.00 C ATOM 801 O LEU A 48 6.133 -14.273 -3.118 1.00 0.00 O ATOM 802 CB LEU A 48 7.602 -12.750 -0.740 1.00 0.00 C ATOM 803 CG LEU A 48 9.050 -12.874 -0.259 1.00 0.00 C ATOM 804 CD1 LEU A 48 9.141 -12.608 1.234 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.603 -14.252 -0.591 1.00 0.00 C ATOM 0 H LEU A 48 7.624 -10.454 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 48 8.284 -12.891 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.115 -11.955 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.077 -13.676 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 48 9.651 -12.127 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.178 -12.701 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.783 -11.601 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.527 -13.332 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.633 -14.324 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.999 -15.015 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.573 -14.406 -1.670 1.00 0.00 H new ATOM 817 N VAL A 49 5.086 -12.307 -2.792 1.00 0.00 N ATOM 818 CA VAL A 49 3.801 -12.781 -3.281 1.00 0.00 C ATOM 819 C VAL A 49 3.616 -12.385 -4.741 1.00 0.00 C ATOM 820 O VAL A 49 2.901 -13.046 -5.493 1.00 0.00 O ATOM 821 CB VAL A 49 2.636 -12.208 -2.453 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.314 -12.832 -2.880 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.879 -12.421 -0.966 1.00 0.00 C ATOM 0 H VAL A 49 5.088 -11.332 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 49 3.795 -13.867 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 49 2.580 -11.135 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.504 -12.413 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.135 -12.619 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.355 -13.911 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.045 -12.009 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.966 -13.488 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.801 -11.919 -0.672 1.00 0.00 H new ATOM 833 N ILE A 50 4.269 -11.293 -5.131 1.00 0.00 N ATOM 834 CA ILE A 50 4.187 -10.795 -6.497 1.00 0.00 C ATOM 835 C ILE A 50 5.428 -11.162 -7.302 1.00 0.00 C ATOM 836 O ILE A 50 5.743 -10.530 -8.309 1.00 0.00 O ATOM 837 CB ILE A 50 3.996 -9.266 -6.524 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.821 -8.857 -5.637 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.778 -8.781 -7.946 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.029 -7.530 -4.941 1.00 0.00 C ATOM 0 H ILE A 50 4.862 -10.736 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 50 3.319 -11.271 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 50 4.902 -8.801 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.918 -8.803 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.655 -9.630 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.645 -7.699 -7.945 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.644 -9.040 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.888 -9.256 -8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.158 -7.300 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.914 -7.586 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.166 -6.746 -5.686 1.00 0.00 H new ATOM 852 N ASN A 51 6.124 -12.195 -6.852 1.00 0.00 N ATOM 853 CA ASN A 51 7.331 -12.665 -7.528 1.00 0.00 C ATOM 854 C ASN A 51 7.108 -12.760 -9.038 1.00 0.00 C ATOM 855 O ASN A 51 8.039 -12.588 -9.824 1.00 0.00 O ATOM 856 CB ASN A 51 7.753 -14.029 -6.973 1.00 0.00 C ATOM 857 CG ASN A 51 9.160 -14.014 -6.409 1.00 0.00 C ATOM 858 OD1 ASN A 51 10.140 -13.939 -7.152 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.269 -14.085 -5.086 1.00 0.00 N ATOM 0 H ASN A 51 5.875 -12.728 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 51 8.127 -11.944 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.055 -14.332 -6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.690 -14.776 -7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.191 -14.079 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.431 -14.146 -4.508 1.00 0.00 H new ATOM 866 N GLU A 52 5.866 -13.030 -9.431 1.00 0.00 N ATOM 867 CA GLU A 52 5.517 -13.139 -10.842 1.00 0.00 C ATOM 868 C GLU A 52 4.851 -11.856 -11.336 1.00 0.00 C ATOM 869 O GLU A 52 4.239 -11.127 -10.556 1.00 0.00 O ATOM 870 CB GLU A 52 4.583 -14.331 -11.068 1.00 0.00 C ATOM 871 CG GLU A 52 5.139 -15.648 -10.550 1.00 0.00 C ATOM 872 CD GLU A 52 5.934 -16.399 -11.601 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.473 -16.461 -12.760 1.00 0.00 O ATOM 874 OE2 GLU A 52 7.017 -16.923 -11.266 1.00 0.00 O ATOM 0 H GLU A 52 5.085 -13.177 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 52 6.436 -13.294 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.629 -14.132 -10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.381 -14.426 -12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.776 -15.455 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.317 -16.275 -10.205 1.00 0.00 H new ATOM 881 N PRO A 53 4.967 -11.558 -12.642 1.00 0.00 N ATOM 882 CA PRO A 53 4.378 -10.352 -13.234 1.00 0.00 C ATOM 883 C PRO A 53 2.854 -10.332 -13.133 1.00 0.00 C ATOM 884 O PRO A 53 2.237 -9.268 -13.148 1.00 0.00 O ATOM 885 CB PRO A 53 4.808 -10.415 -14.707 1.00 0.00 C ATOM 886 CG PRO A 53 5.942 -11.381 -14.744 1.00 0.00 C ATOM 887 CD PRO A 53 5.684 -12.366 -13.642 1.00 0.00 C ATOM 0 HA PRO A 53 4.712 -9.453 -12.716 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.987 -10.747 -15.343 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.115 -9.434 -15.070 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.996 -11.882 -15.710 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.894 -10.871 -14.596 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.085 -13.209 -13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.611 -12.776 -13.241 1.00 0.00 H new ATOM 895 N SER A 54 2.255 -11.515 -13.036 1.00 0.00 N ATOM 896 CA SER A 54 0.803 -11.634 -12.940 1.00 0.00 C ATOM 897 C SER A 54 0.251 -10.843 -11.756 1.00 0.00 C ATOM 898 O SER A 54 -0.816 -10.239 -11.845 1.00 0.00 O ATOM 899 CB SER A 54 0.401 -13.106 -12.814 1.00 0.00 C ATOM 900 OG SER A 54 0.950 -13.875 -13.869 1.00 0.00 O ATOM 0 H SER A 54 2.752 -12.405 -13.022 1.00 0.00 H new ATOM 0 HA SER A 54 0.376 -11.217 -13.852 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.743 -13.499 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.686 -13.192 -12.824 1.00 0.00 H new ATOM 0 HG SER A 54 0.681 -14.812 -13.766 1.00 0.00 H new ATOM 906 N ARG A 55 0.981 -10.859 -10.643 1.00 0.00 N ATOM 907 CA ARG A 55 0.556 -10.149 -9.440 1.00 0.00 C ATOM 908 C ARG A 55 1.041 -8.698 -9.431 1.00 0.00 C ATOM 909 O ARG A 55 1.021 -8.038 -8.393 1.00 0.00 O ATOM 910 CB ARG A 55 1.070 -10.874 -8.196 1.00 0.00 C ATOM 911 CG ARG A 55 0.213 -12.062 -7.786 1.00 0.00 C ATOM 912 CD ARG A 55 1.036 -13.337 -7.661 1.00 0.00 C ATOM 913 NE ARG A 55 0.472 -14.433 -8.444 1.00 0.00 N ATOM 914 CZ ARG A 55 1.129 -15.555 -8.731 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.373 -15.731 -8.302 1.00 0.00 N ATOM 916 NH2 ARG A 55 0.541 -16.503 -9.447 1.00 0.00 N ATOM 0 H ARG A 55 1.868 -11.355 -10.550 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.534 -10.135 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.088 -11.217 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.117 -10.167 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.273 -11.848 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.578 -12.211 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.056 -13.143 -7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.091 -13.631 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.482 -14.333 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.830 -15.005 -7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.872 -16.592 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.415 -16.373 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.044 -17.362 -9.667 1.00 0.00 H new ATOM 930 N LEU A 56 1.477 -8.205 -10.587 1.00 0.00 N ATOM 931 CA LEU A 56 1.964 -6.833 -10.699 1.00 0.00 C ATOM 932 C LEU A 56 0.911 -5.818 -10.247 1.00 0.00 C ATOM 933 O LEU A 56 1.220 -4.884 -9.507 1.00 0.00 O ATOM 934 CB LEU A 56 2.382 -6.538 -12.142 1.00 0.00 C ATOM 935 CG LEU A 56 3.842 -6.855 -12.470 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.016 -7.076 -13.965 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.751 -5.736 -11.986 1.00 0.00 C ATOM 0 H LEU A 56 1.503 -8.734 -11.459 1.00 0.00 H new ATOM 0 HA LEU A 56 2.827 -6.736 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.742 -7.110 -12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.200 -5.483 -12.349 1.00 0.00 H new ATOM 0 HG LEU A 56 4.121 -7.773 -11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.061 -7.300 -14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.392 -7.911 -14.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.720 -6.175 -14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.786 -5.978 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.472 -4.803 -12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.647 -5.624 -10.907 1.00 0.00 H new ATOM 949 N PRO A 57 -0.352 -5.977 -10.693 1.00 0.00 N ATOM 950 CA PRO A 57 -1.442 -5.059 -10.340 1.00 0.00 C ATOM 951 C PRO A 57 -1.458 -4.671 -8.861 1.00 0.00 C ATOM 952 O PRO A 57 -1.945 -3.599 -8.503 1.00 0.00 O ATOM 953 CB PRO A 57 -2.691 -5.863 -10.696 1.00 0.00 C ATOM 954 CG PRO A 57 -2.265 -6.718 -11.838 1.00 0.00 C ATOM 955 CD PRO A 57 -0.817 -7.056 -11.592 1.00 0.00 C ATOM 0 HA PRO A 57 -1.351 -4.107 -10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.030 -6.465 -9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.518 -5.210 -10.975 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.872 -7.622 -11.895 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.387 -6.192 -12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.708 -8.037 -11.130 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.247 -7.076 -12.521 1.00 0.00 H new ATOM 963 N LEU A 58 -0.932 -5.540 -8.003 1.00 0.00 N ATOM 964 CA LEU A 58 -0.901 -5.269 -6.567 1.00 0.00 C ATOM 965 C LEU A 58 -0.176 -3.958 -6.266 1.00 0.00 C ATOM 966 O LEU A 58 -0.607 -3.183 -5.413 1.00 0.00 O ATOM 967 CB LEU A 58 -0.228 -6.422 -5.819 1.00 0.00 C ATOM 968 CG LEU A 58 -1.169 -7.280 -4.970 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.382 -8.317 -4.184 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.990 -6.403 -4.032 1.00 0.00 C ATOM 0 H LEU A 58 -0.523 -6.434 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.932 -5.176 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.269 -7.065 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.548 -6.012 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.854 -7.804 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.068 -8.918 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.159 -8.964 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.327 -7.814 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.654 -7.029 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.321 -5.851 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.583 -5.700 -4.617 1.00 0.00 H new ATOM 982 N PHE A 59 0.928 -3.721 -6.965 1.00 0.00 N ATOM 983 CA PHE A 59 1.714 -2.508 -6.765 1.00 0.00 C ATOM 984 C PHE A 59 0.895 -1.258 -7.081 1.00 0.00 C ATOM 985 O PHE A 59 0.830 -0.325 -6.279 1.00 0.00 O ATOM 986 CB PHE A 59 2.969 -2.538 -7.639 1.00 0.00 C ATOM 987 CG PHE A 59 3.911 -3.656 -7.296 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.399 -3.798 -6.007 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.311 -4.565 -8.263 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.268 -4.824 -5.688 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.179 -5.593 -7.950 1.00 0.00 C ATOM 992 CZ PHE A 59 5.659 -5.723 -6.661 1.00 0.00 C ATOM 0 H PHE A 59 1.299 -4.352 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 59 2.006 -2.471 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.672 -2.631 -8.684 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.494 -1.588 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.096 -3.098 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.940 -4.468 -9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.641 -4.923 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.482 -6.295 -8.713 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.338 -6.526 -6.415 1.00 0.00 H new ATOM 1002 N ASP A 60 0.269 -1.246 -8.255 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.541 -0.110 -8.676 1.00 0.00 C ATOM 1004 C ASP A 60 -1.873 -0.092 -7.934 1.00 0.00 C ATOM 1005 O ASP A 60 -2.482 0.958 -7.757 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.785 -0.161 -10.185 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.688 1.206 -10.835 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.708 1.926 -10.855 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.408 1.556 -11.321 1.00 0.00 O ATOM 0 H ASP A 60 0.308 -2.010 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 60 0.003 0.803 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.059 -0.831 -10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.772 -0.582 -10.376 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.318 -1.267 -7.512 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.575 -1.401 -6.792 1.00 0.00 C ATOM 1016 C ALA A 61 -3.503 -0.757 -5.409 1.00 0.00 C ATOM 1017 O ALA A 61 -4.382 0.016 -5.024 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.940 -2.870 -6.672 1.00 0.00 C ATOM 0 H ALA A 61 -1.823 -2.147 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.348 -0.878 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.882 -2.968 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.046 -3.301 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.155 -3.397 -6.130 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.460 -1.101 -4.660 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.267 -0.583 -3.306 1.00 0.00 C ATOM 1026 C ILE A 62 -1.787 0.869 -3.291 1.00 0.00 C ATOM 1027 O ILE A 62 -2.138 1.635 -2.397 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.266 -1.450 -2.517 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.630 -2.931 -2.638 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.235 -1.030 -1.055 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.476 -3.864 -2.342 1.00 0.00 C ATOM 0 H ILE A 62 -1.729 -1.741 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.247 -0.622 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.273 -1.302 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.450 -3.152 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.995 -3.126 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.523 -1.652 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.932 0.015 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.227 -1.151 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.807 -4.897 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.337 -3.671 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.125 -3.697 -1.323 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.958 1.235 -4.261 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.400 2.589 -4.336 1.00 0.00 C ATOM 1045 C ARG A 63 -1.440 3.681 -4.043 1.00 0.00 C ATOM 1046 O ARG A 63 -1.193 4.569 -3.228 1.00 0.00 O ATOM 1047 CB ARG A 63 0.224 2.826 -5.713 1.00 0.00 C ATOM 1048 CG ARG A 63 1.355 3.842 -5.705 1.00 0.00 C ATOM 1049 CD ARG A 63 1.308 4.738 -6.933 1.00 0.00 C ATOM 1050 NE ARG A 63 2.313 5.795 -6.879 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.598 5.613 -7.179 1.00 0.00 C ATOM 1052 NH1 ARG A 63 4.036 4.417 -7.554 1.00 0.00 N ATOM 1053 NH2 ARG A 63 4.446 6.629 -7.103 1.00 0.00 N ATOM 0 H ARG A 63 -0.654 0.614 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 63 0.364 2.657 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.601 1.879 -6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.552 3.164 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.290 4.453 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.312 3.322 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.464 4.135 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.317 5.184 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 63 2.014 6.728 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.387 3.632 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.021 4.283 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.114 7.550 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.430 6.490 -7.333 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.606 3.650 -4.715 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.654 4.661 -4.526 1.00 0.00 C ATOM 1069 C PRO A 64 -3.861 5.063 -3.066 1.00 0.00 C ATOM 1070 O PRO A 64 -3.805 6.246 -2.730 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.896 3.956 -5.064 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.384 3.053 -6.132 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.987 2.652 -5.729 1.00 0.00 C ATOM 0 HA PRO A 64 -3.406 5.597 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.404 3.394 -4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.617 4.671 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.023 2.176 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.378 3.560 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.964 1.641 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.306 2.668 -6.580 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.098 4.082 -2.199 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.304 4.361 -0.779 1.00 0.00 C ATOM 1083 C LEU A 65 -2.986 4.705 -0.093 1.00 0.00 C ATOM 1084 O LEU A 65 -2.957 5.471 0.870 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.979 3.177 -0.078 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.419 1.798 -0.426 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.443 0.887 0.793 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.204 1.177 -1.574 1.00 0.00 C ATOM 0 H LEU A 65 -4.152 3.095 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.965 5.225 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.898 3.321 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.041 3.190 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.383 1.918 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.041 -0.090 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.836 1.324 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.469 0.773 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.791 0.196 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.250 1.071 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.134 1.819 -2.452 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.897 4.130 -0.595 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.572 4.368 -0.034 1.00 0.00 C ATOM 1102 C ILE A 66 -0.241 5.865 -0.025 1.00 0.00 C ATOM 1103 O ILE A 66 -0.463 6.563 -1.014 1.00 0.00 O ATOM 1104 CB ILE A 66 0.510 3.599 -0.828 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.347 2.093 -0.619 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.912 4.035 -0.419 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.174 1.258 -1.574 1.00 0.00 C ATOM 0 H ILE A 66 -1.907 3.494 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.580 4.004 0.993 1.00 0.00 H new ATOM 0 HB ILE A 66 0.379 3.831 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.627 1.844 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.704 1.830 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.649 3.476 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.032 5.101 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.058 3.840 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.009 0.200 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.879 1.479 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.230 1.493 -1.442 1.00 0.00 H new ATOM 1119 N PRO A 67 0.308 6.374 1.097 1.00 0.00 N ATOM 1120 CA PRO A 67 0.677 7.787 1.231 1.00 0.00 C ATOM 1121 C PRO A 67 1.407 8.323 0.025 1.00 0.00 C ATOM 1122 O PRO A 67 2.245 7.656 -0.581 1.00 0.00 O ATOM 1123 CB PRO A 67 1.580 7.798 2.460 1.00 0.00 C ATOM 1124 CG PRO A 67 1.094 6.661 3.290 1.00 0.00 C ATOM 1125 CD PRO A 67 0.617 5.609 2.323 1.00 0.00 C ATOM 0 HA PRO A 67 -0.201 8.427 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.627 7.669 2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.506 8.743 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.891 6.274 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.287 6.978 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.383 4.855 2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.262 5.087 2.701 1.00 0.00 H new ATOM 1133 N LEU A 68 1.059 9.548 -0.301 1.00 0.00 N ATOM 1134 CA LEU A 68 1.625 10.259 -1.418 1.00 0.00 C ATOM 1135 C LEU A 68 3.150 10.212 -1.400 1.00 0.00 C ATOM 1136 O LEU A 68 3.782 9.933 -2.420 1.00 0.00 O ATOM 1137 CB LEU A 68 1.126 11.687 -1.329 1.00 0.00 C ATOM 1138 CG LEU A 68 0.012 12.042 -2.305 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.387 13.502 -2.159 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.435 11.740 -3.735 1.00 0.00 C ATOM 0 H LEU A 68 0.362 10.085 0.214 1.00 0.00 H new ATOM 0 HA LEU A 68 1.318 9.796 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.771 11.869 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.966 12.361 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.857 11.427 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.184 13.734 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.738 13.683 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.475 14.137 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.375 12.001 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.321 12.324 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.662 10.678 -3.831 1.00 0.00 H new ATOM 1152 N LYS A 69 3.740 10.468 -0.238 1.00 0.00 N ATOM 1153 CA LYS A 69 5.191 10.431 -0.105 1.00 0.00 C ATOM 1154 C LYS A 69 5.681 8.989 -0.172 1.00 0.00 C ATOM 1155 O LYS A 69 6.743 8.699 -0.733 1.00 0.00 O ATOM 1156 CB LYS A 69 5.633 11.084 1.207 1.00 0.00 C ATOM 1157 CG LYS A 69 4.971 10.495 2.443 1.00 0.00 C ATOM 1158 CD LYS A 69 3.943 11.446 3.036 1.00 0.00 C ATOM 1159 CE LYS A 69 3.313 10.873 4.295 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.280 10.821 5.427 1.00 0.00 N ATOM 0 H LYS A 69 3.240 10.702 0.620 1.00 0.00 H new ATOM 0 HA LYS A 69 5.630 10.994 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.714 10.985 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.413 12.151 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.488 9.553 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.731 10.268 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.419 12.399 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.166 11.649 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.454 11.480 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.940 9.869 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.777 10.570 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.008 10.106 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.731 11.751 5.542 1.00 0.00 H new ATOM 1174 N HIS A 70 4.886 8.083 0.389 1.00 0.00 N ATOM 1175 CA HIS A 70 5.220 6.668 0.383 1.00 0.00 C ATOM 1176 C HIS A 70 5.141 6.117 -1.033 1.00 0.00 C ATOM 1177 O HIS A 70 5.859 5.185 -1.385 1.00 0.00 O ATOM 1178 CB HIS A 70 4.281 5.890 1.306 1.00 0.00 C ATOM 1179 CG HIS A 70 4.505 6.173 2.759 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.053 5.347 3.767 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.142 7.198 3.374 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.399 5.853 4.937 1.00 0.00 C ATOM 1183 NE2 HIS A 70 5.061 6.974 4.727 1.00 0.00 N ATOM 0 H HIS A 70 4.006 8.307 0.853 1.00 0.00 H new ATOM 0 HA HIS A 70 6.239 6.551 0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.250 6.133 1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.410 4.823 1.127 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.533 4.480 3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.624 8.035 2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.177 5.422 5.902 1.00 0.00 H new ATOM 1192 N GLN A 71 4.271 6.714 -1.849 1.00 0.00 N ATOM 1193 CA GLN A 71 4.113 6.292 -3.236 1.00 0.00 C ATOM 1194 C GLN A 71 5.442 6.403 -3.970 1.00 0.00 C ATOM 1195 O GLN A 71 5.922 5.437 -4.565 1.00 0.00 O ATOM 1196 CB GLN A 71 3.056 7.146 -3.937 1.00 0.00 C ATOM 1197 CG GLN A 71 1.631 6.814 -3.527 1.00 0.00 C ATOM 1198 CD GLN A 71 0.617 7.197 -4.588 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.957 7.830 -5.588 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.637 6.816 -4.373 1.00 0.00 N ATOM 0 H GLN A 71 3.668 7.489 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 71 3.785 5.252 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.251 8.197 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.154 7.017 -5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.554 5.746 -3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.393 7.332 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.874 6.293 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.363 7.047 -5.051 1.00 0.00 H new ATOM 1209 N VAL A 72 6.043 7.588 -3.904 1.00 0.00 N ATOM 1210 CA VAL A 72 7.328 7.826 -4.543 1.00 0.00 C ATOM 1211 C VAL A 72 8.363 6.843 -4.016 1.00 0.00 C ATOM 1212 O VAL A 72 9.013 6.138 -4.786 1.00 0.00 O ATOM 1213 CB VAL A 72 7.839 9.256 -4.294 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.977 9.590 -5.247 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.709 10.266 -4.425 1.00 0.00 C ATOM 0 H VAL A 72 5.659 8.396 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 72 7.182 7.691 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 72 8.220 9.309 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.325 10.605 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.798 8.890 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.624 9.515 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.095 11.269 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.289 10.214 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.932 10.039 -3.695 1.00 0.00 H new ATOM 1225 N GLU A 73 8.497 6.789 -2.690 1.00 0.00 N ATOM 1226 CA GLU A 73 9.441 5.873 -2.067 1.00 0.00 C ATOM 1227 C GLU A 73 9.129 4.448 -2.493 1.00 0.00 C ATOM 1228 O GLU A 73 10.029 3.630 -2.682 1.00 0.00 O ATOM 1229 CB GLU A 73 9.389 5.995 -0.543 1.00 0.00 C ATOM 1230 CG GLU A 73 10.499 5.237 0.168 1.00 0.00 C ATOM 1231 CD GLU A 73 10.454 5.415 1.673 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.343 5.587 2.217 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.530 5.381 2.307 1.00 0.00 O ATOM 0 H GLU A 73 7.967 7.365 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 73 10.448 6.132 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.447 7.048 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.426 5.627 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.421 4.176 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.464 5.578 -0.206 1.00 0.00 H new ATOM 1240 N TYR A 74 7.843 4.169 -2.682 1.00 0.00 N ATOM 1241 CA TYR A 74 7.412 2.855 -3.132 1.00 0.00 C ATOM 1242 C TYR A 74 8.035 2.577 -4.491 1.00 0.00 C ATOM 1243 O TYR A 74 8.381 1.440 -4.813 1.00 0.00 O ATOM 1244 CB TYR A 74 5.885 2.791 -3.228 1.00 0.00 C ATOM 1245 CG TYR A 74 5.330 1.385 -3.204 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.624 0.481 -4.217 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.508 0.963 -2.165 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.114 -0.803 -4.197 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.997 -0.319 -2.138 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.301 -1.197 -3.156 1.00 0.00 C ATOM 1251 OH TYR A 74 3.792 -2.476 -3.131 1.00 0.00 O ATOM 0 H TYR A 74 7.085 4.835 -2.530 1.00 0.00 H new ATOM 0 HA TYR A 74 7.735 2.101 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.454 3.356 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.567 3.281 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.262 0.787 -5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.266 1.649 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.351 -1.494 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.362 -0.633 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 74 2.953 -2.504 -3.636 1.00 0.00 H new ATOM 1261 N ASP A 75 8.192 3.642 -5.274 1.00 0.00 N ATOM 1262 CA ASP A 75 8.794 3.538 -6.593 1.00 0.00 C ATOM 1263 C ASP A 75 10.296 3.306 -6.473 1.00 0.00 C ATOM 1264 O ASP A 75 10.871 2.503 -7.205 1.00 0.00 O ATOM 1265 CB ASP A 75 8.521 4.807 -7.404 1.00 0.00 C ATOM 1266 CG ASP A 75 8.217 4.509 -8.859 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.476 3.541 -9.126 1.00 0.00 O ATOM 1268 OD2 ASP A 75 8.723 5.245 -9.734 1.00 0.00 O ATOM 0 H ASP A 75 7.909 4.587 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 75 8.348 2.689 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.681 5.343 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.387 5.466 -7.344 1.00 0.00 H new ATOM 1273 N GLN A 76 10.929 4.019 -5.544 1.00 0.00 N ATOM 1274 CA GLN A 76 12.365 3.892 -5.327 1.00 0.00 C ATOM 1275 C GLN A 76 12.734 2.512 -4.786 1.00 0.00 C ATOM 1276 O GLN A 76 13.881 2.078 -4.906 1.00 0.00 O ATOM 1277 CB GLN A 76 12.850 4.974 -4.360 1.00 0.00 C ATOM 1278 CG GLN A 76 12.887 6.365 -4.971 1.00 0.00 C ATOM 1279 CD GLN A 76 13.819 7.304 -4.230 1.00 0.00 C ATOM 1280 OE1 GLN A 76 15.028 7.307 -4.464 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.261 8.105 -3.331 1.00 0.00 N ATOM 0 H GLN A 76 10.468 4.691 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 76 12.856 4.018 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.198 4.987 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.849 4.714 -4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.203 6.292 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.881 6.784 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.254 8.068 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.839 8.758 -2.801 1.00 0.00 H new ATOM 1290 N LEU A 77 11.768 1.831 -4.173 1.00 0.00 N ATOM 1291 CA LEU A 77 12.012 0.512 -3.598 1.00 0.00 C ATOM 1292 C LEU A 77 11.591 -0.614 -4.539 1.00 0.00 C ATOM 1293 O LEU A 77 12.091 -1.734 -4.436 1.00 0.00 O ATOM 1294 CB LEU A 77 11.273 0.375 -2.266 1.00 0.00 C ATOM 1295 CG LEU A 77 11.828 1.230 -1.125 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.718 1.621 -0.162 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.936 0.487 -0.394 1.00 0.00 C ATOM 0 H LEU A 77 10.812 2.170 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 77 13.086 0.423 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.226 0.638 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.297 -0.671 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 77 12.248 2.142 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.132 2.229 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.959 2.193 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.267 0.722 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.320 1.109 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.541 -0.441 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.743 0.260 -1.091 1.00 0.00 H new ATOM 1398 N ARG B 103 -4.962 6.976 5.405 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.378 7.061 5.742 1.00 0.00 C ATOM 1400 C ARG B 103 -7.167 5.946 5.062 1.00 0.00 C ATOM 1401 O ARG B 103 -8.048 5.338 5.671 1.00 0.00 O ATOM 1402 CB ARG B 103 -6.941 8.424 5.330 1.00 0.00 C ATOM 1403 CG ARG B 103 -8.388 8.635 5.749 1.00 0.00 C ATOM 1404 CD ARG B 103 -8.604 10.020 6.338 1.00 0.00 C ATOM 1405 NE ARG B 103 -9.292 10.910 5.406 1.00 0.00 N ATOM 1406 CZ ARG B 103 -9.453 12.216 5.609 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -8.977 12.787 6.708 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -10.092 12.953 4.710 1.00 0.00 N ATOM 0 HA ARG B 103 -6.477 6.946 6.821 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -6.326 9.210 5.768 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -6.866 8.527 4.247 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.041 8.500 4.886 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -8.669 7.879 6.482 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.186 9.937 7.256 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -7.641 10.453 6.609 1.00 0.00 H new ATOM 0 HE ARG B 103 -9.671 10.507 4.549 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -8.485 12.225 7.403 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -9.103 13.788 6.858 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -10.460 12.519 3.863 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -10.215 13.954 4.865 1.00 0.00 H new ATOM 1422 N TYR B 104 -6.844 5.684 3.801 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.524 4.641 3.040 1.00 0.00 C ATOM 1424 C TYR B 104 -7.099 3.256 3.519 1.00 0.00 C ATOM 1425 O TYR B 104 -7.895 2.316 3.515 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.225 4.793 1.547 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.798 6.054 0.940 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -9.097 6.083 0.450 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.038 7.215 0.856 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.624 7.234 -0.105 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.557 8.369 0.302 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.851 8.372 -0.178 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.371 9.520 -0.730 1.00 0.00 O ATOM 0 H TYR B 104 -6.117 6.178 3.284 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.597 4.748 3.200 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.145 4.787 1.399 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.625 3.930 1.015 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.705 5.192 0.503 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.025 7.215 1.230 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.637 7.241 -0.480 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.954 9.263 0.245 1.00 0.00 H new ATOM 0 HH TYR B 104 -8.696 10.230 -0.704 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.842 3.139 3.932 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.312 1.869 4.416 1.00 0.00 C ATOM 1445 C LEU B 105 -6.107 1.375 5.620 1.00 0.00 C ATOM 1446 O LEU B 105 -6.576 0.238 5.641 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.836 2.015 4.789 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.855 1.875 3.624 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -1.650 2.779 3.828 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.415 0.426 3.471 1.00 0.00 C ATOM 0 H LEU B 105 -5.171 3.907 3.942 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.404 1.136 3.615 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.689 2.991 5.252 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.592 1.265 5.541 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.362 2.181 2.709 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.964 2.665 2.989 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.979 3.816 3.889 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.142 2.505 4.752 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.717 0.344 2.638 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.926 0.095 4.388 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.286 -0.200 3.278 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.259 2.239 6.617 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.001 1.892 7.825 1.00 0.00 C ATOM 1464 C ARG B 106 -8.437 1.504 7.490 1.00 0.00 C ATOM 1465 O ARG B 106 -9.017 0.626 8.128 1.00 0.00 O ATOM 1466 CB ARG B 106 -6.994 3.068 8.806 1.00 0.00 C ATOM 1467 CG ARG B 106 -5.600 3.562 9.155 1.00 0.00 C ATOM 1468 CD ARG B 106 -5.653 4.830 9.991 1.00 0.00 C ATOM 1469 NE ARG B 106 -5.727 4.541 11.421 1.00 0.00 N ATOM 1470 CZ ARG B 106 -6.124 5.423 12.336 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -6.485 6.649 11.974 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -6.162 5.079 13.616 1.00 0.00 N ATOM 0 H ARG B 106 -5.878 3.185 6.613 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.512 1.035 8.289 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -7.565 3.891 8.377 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.504 2.769 9.722 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -5.064 2.786 9.702 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -5.040 3.751 8.239 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -4.769 5.435 9.789 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -6.519 5.423 9.696 1.00 0.00 H new ATOM 0 HE ARG B 106 -5.459 3.609 11.737 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -6.459 6.919 10.991 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -6.788 7.321 12.679 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -5.887 4.139 13.900 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -6.466 5.755 14.317 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.005 2.163 6.485 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.375 1.885 6.066 1.00 0.00 C ATOM 1488 C GLU B 107 -10.532 0.424 5.657 1.00 0.00 C ATOM 1489 O GLU B 107 -11.349 -0.305 6.220 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.771 2.797 4.904 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.107 4.217 5.330 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.499 4.336 5.922 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -12.902 3.427 6.678 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.185 5.337 5.627 1.00 0.00 O ATOM 0 H GLU B 107 -8.539 2.893 5.946 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.034 2.080 6.912 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.955 2.827 4.182 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.632 2.367 4.393 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -10.375 4.555 6.063 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.025 4.880 4.468 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.740 0.000 4.676 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.790 -1.375 4.196 1.00 0.00 C ATOM 1503 C ALA B 108 -9.262 -2.338 5.255 1.00 0.00 C ATOM 1504 O ALA B 108 -9.807 -3.426 5.449 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.993 -1.514 2.909 1.00 0.00 C ATOM 0 H ALA B 108 -9.057 0.589 4.199 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.830 -1.629 3.993 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.039 -2.546 2.562 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.413 -0.856 2.148 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.954 -1.239 3.093 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.200 -1.926 5.940 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.594 -2.743 6.984 1.00 0.00 C ATOM 1513 C ILE B 109 -8.619 -3.096 8.062 1.00 0.00 C ATOM 1514 O ILE B 109 -8.839 -4.269 8.362 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.386 -2.017 7.623 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.194 -2.035 6.663 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.003 -2.647 8.954 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.049 -1.151 7.106 1.00 0.00 C ATOM 0 H ILE B 109 -7.740 -1.028 5.790 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.242 -3.664 6.520 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.675 -0.983 7.814 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.834 -3.059 6.562 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.528 -1.716 5.676 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.151 -2.114 9.377 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.847 -2.586 9.641 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.736 -3.692 8.798 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.239 -1.213 6.379 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.393 -0.119 7.179 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.689 -1.483 8.080 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.246 -2.075 8.636 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.247 -2.287 9.673 1.00 0.00 C ATOM 1532 C GLN B 110 -11.424 -3.079 9.125 1.00 0.00 C ATOM 1533 O GLN B 110 -12.007 -3.907 9.825 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.728 -0.948 10.238 1.00 0.00 C ATOM 1535 CG GLN B 110 -9.992 -0.520 11.497 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.830 -0.687 12.749 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.475 -1.447 13.651 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -11.950 0.021 12.810 1.00 0.00 N ATOM 0 H GLN B 110 -9.079 -1.096 8.401 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.787 -2.859 10.479 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.607 -0.177 9.477 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.794 -1.017 10.456 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -9.078 -1.106 11.596 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -9.693 0.524 11.401 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -12.206 0.639 12.039 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -12.556 -0.052 13.627 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.764 -2.833 7.863 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.863 -3.542 7.223 1.00 0.00 C ATOM 1549 C GLU B 111 -12.649 -5.043 7.347 1.00 0.00 C ATOM 1550 O GLU B 111 -13.574 -5.795 7.655 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.979 -3.140 5.751 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.065 -2.111 5.485 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.261 -2.699 4.761 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -15.801 -3.720 5.239 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.658 -2.140 3.717 1.00 0.00 O ATOM 0 H GLU B 111 -11.295 -2.151 7.267 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.793 -3.273 7.723 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.022 -2.741 5.416 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -13.180 -4.030 5.155 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.393 -1.682 6.432 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -13.651 -1.296 4.892 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.410 -5.466 7.130 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.057 -6.871 7.241 1.00 0.00 C ATOM 1564 C TYR B 112 -11.094 -7.292 8.701 1.00 0.00 C ATOM 1565 O TYR B 112 -11.464 -8.422 9.023 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.669 -7.127 6.648 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.295 -8.593 6.585 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -9.883 -9.441 5.655 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.351 -9.125 7.455 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -9.543 -10.778 5.593 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.005 -10.461 7.399 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.603 -11.284 6.467 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.261 -12.615 6.409 1.00 0.00 O ATOM 0 H TYR B 112 -10.634 -4.854 6.876 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.780 -7.462 6.679 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.630 -6.708 5.643 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.926 -6.597 7.243 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -10.619 -9.048 4.969 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.881 -8.484 8.186 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.010 -11.424 4.864 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.269 -10.860 8.082 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.585 -12.809 7.091 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.729 -6.369 9.586 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.748 -6.645 11.014 1.00 0.00 C ATOM 1585 C ASP B 113 -12.164 -7.005 11.450 1.00 0.00 C ATOM 1586 O ASP B 113 -12.362 -7.783 12.384 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.246 -5.433 11.801 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.637 -5.822 13.135 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.670 -6.612 13.139 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -10.127 -5.335 14.176 1.00 0.00 O ATOM 0 H ASP B 113 -10.419 -5.429 9.339 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.086 -7.486 11.218 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.504 -4.900 11.207 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.074 -4.744 11.970 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.146 -6.437 10.754 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.547 -6.698 11.051 1.00 0.00 C ATOM 1597 C ASN B 114 -15.001 -8.003 10.404 1.00 0.00 C ATOM 1598 O ASN B 114 -15.811 -8.736 10.970 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.420 -5.541 10.562 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.561 -5.235 11.511 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -17.434 -6.073 11.741 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.558 -4.033 12.072 1.00 0.00 N ATOM 0 H ASN B 114 -12.994 -5.792 9.979 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.654 -6.790 12.132 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.803 -4.650 10.441 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.824 -5.785 9.579 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.299 -3.772 12.723 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.815 -3.370 11.853 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.471 -8.289 9.217 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.825 -9.507 8.500 1.00 0.00 C ATOM 1611 C ILE B 115 -14.331 -10.742 9.247 1.00 0.00 C ATOM 1612 O ILE B 115 -15.060 -11.721 9.402 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.244 -9.507 7.070 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.737 -8.281 6.300 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.621 -10.788 6.337 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.782 -7.822 5.220 1.00 0.00 C ATOM 0 H ILE B 115 -13.797 -7.695 8.734 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.913 -9.537 8.436 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.157 -9.462 7.137 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.702 -8.510 5.847 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.900 -7.463 7.001 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.202 -10.768 5.331 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.225 -11.647 6.878 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.706 -10.867 6.276 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.196 -6.949 4.715 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.823 -7.561 5.669 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.638 -8.625 4.497 1.00 0.00 H new