USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 70 HIS : no HD1:sc= -0.0154 X(o=-0.017,f=0) USER MOD Set 1.2: A 73 GLN : amide:sc=-0.00111 X(o=-0.017,f=0) USER MOD Set 2.1: A 13 GLN :FLIP amide:sc= 0.642 F(o=0.039,f=1.4) USER MOD Set 2.2: A 51 CYS SG : rot 130:sc= 0.725 USER MOD Single : A 4 ASN : amide:sc= -4.48! C(o=-4.5!,f=-5.5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.632 K(o=-0.63,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 24 THR OG1 : rot -73:sc= 0.955 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -166:sc= -0.544! USER MOD Single : A 32 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.41) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 15:sc= -4.93! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 65 THR OG1 : rot 59:sc= -5.46! USER MOD Single : A 67 THR OG1 : rot -170:sc= -1.32 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0.261 (180deg=0.261) USER MOD Single : A 75 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.2!) USER MOD Single : A 76 MET CE :methyl 154:sc= -0.0298 (180deg=-1.23) USER MOD Single : A 77 THR OG1 : rot 81:sc= -0.652! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 0:sc= -0.92 USER MOD Single : A 92 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.21) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -9.989 9.018 6.546 1.00 0.00 N ATOM 50 CA ASN A 4 -9.229 8.272 5.558 1.00 0.00 C ATOM 51 C ASN A 4 -9.378 6.774 5.830 1.00 0.00 C ATOM 52 O ASN A 4 -9.721 6.372 6.941 1.00 0.00 O ATOM 53 CB ASN A 4 -7.741 8.620 5.630 1.00 0.00 C ATOM 54 CG ASN A 4 -6.887 7.512 5.009 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.881 7.298 3.808 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.170 6.823 5.892 1.00 0.00 N ATOM 0 HA ASN A 4 -9.613 8.532 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.558 9.560 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.449 8.770 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.568 6.062 5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.222 7.055 6.884 1.00 0.00 H new ATOM 63 N ASP A 5 -9.113 5.988 4.797 1.00 0.00 N ATOM 64 CA ASP A 5 -9.213 4.543 4.910 1.00 0.00 C ATOM 65 C ASP A 5 -7.842 3.968 5.270 1.00 0.00 C ATOM 66 O ASP A 5 -7.712 3.223 6.240 1.00 0.00 O ATOM 67 CB ASP A 5 -9.656 3.916 3.587 1.00 0.00 C ATOM 68 CG ASP A 5 -10.918 4.526 2.973 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.429 5.550 3.450 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.385 3.896 1.949 1.00 0.00 O ATOM 0 H ASP A 5 -8.829 6.325 3.877 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.949 4.315 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.841 4.006 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.826 2.851 3.746 1.00 0.00 H new ATOM 76 N ILE A 6 -6.852 4.335 4.469 1.00 0.00 N ATOM 77 CA ILE A 6 -5.496 3.865 4.691 1.00 0.00 C ATOM 78 C ILE A 6 -4.522 4.735 3.893 1.00 0.00 C ATOM 79 O ILE A 6 -4.933 5.474 3.000 1.00 0.00 O ATOM 80 CB ILE A 6 -5.388 2.372 4.374 1.00 0.00 C ATOM 81 CG1 ILE A 6 -3.957 1.870 4.579 1.00 0.00 C ATOM 82 CG2 ILE A 6 -5.904 2.071 2.965 1.00 0.00 C ATOM 83 CD1 ILE A 6 -3.914 0.341 4.627 1.00 0.00 C ATOM 0 H ILE A 6 -6.963 4.953 3.665 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.226 3.965 5.742 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.024 1.828 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.322 2.230 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.554 2.278 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.816 1.003 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.950 2.369 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.315 2.626 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.886 0.010 4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.531 -0.015 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.295 -0.063 3.689 1.00 0.00 H new ATOM 95 N THR A 7 -3.250 4.618 4.245 1.00 0.00 N ATOM 96 CA THR A 7 -2.215 5.385 3.573 1.00 0.00 C ATOM 97 C THR A 7 -0.978 4.516 3.335 1.00 0.00 C ATOM 98 O THR A 7 -0.867 3.423 3.886 1.00 0.00 O ATOM 99 CB THR A 7 -1.929 6.631 4.413 1.00 0.00 C ATOM 100 OG1 THR A 7 -2.085 6.187 5.758 1.00 0.00 O ATOM 101 CG2 THR A 7 -3.005 7.707 4.248 1.00 0.00 C ATOM 0 H THR A 7 -2.913 4.004 4.986 1.00 0.00 H new ATOM 0 HA THR A 7 -2.542 5.709 2.585 1.00 0.00 H new ATOM 0 HB THR A 7 -0.959 7.042 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.916 6.933 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.754 8.570 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.058 8.011 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.970 7.307 4.559 1.00 0.00 H new ATOM 109 N PHE A 8 -0.078 5.036 2.512 1.00 0.00 N ATOM 110 CA PHE A 8 1.146 4.322 2.194 1.00 0.00 C ATOM 111 C PHE A 8 2.259 5.293 1.794 1.00 0.00 C ATOM 112 O PHE A 8 1.991 6.445 1.457 1.00 0.00 O ATOM 113 CB PHE A 8 0.835 3.406 1.010 1.00 0.00 C ATOM 114 CG PHE A 8 -0.607 2.895 0.980 1.00 0.00 C ATOM 115 CD1 PHE A 8 -1.632 3.763 0.766 1.00 0.00 C ATOM 116 CD2 PHE A 8 -0.864 1.573 1.168 1.00 0.00 C ATOM 117 CE1 PHE A 8 -2.970 3.289 0.739 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.202 1.099 1.140 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.227 1.967 0.926 1.00 0.00 C ATOM 0 H PHE A 8 -0.173 5.944 2.056 1.00 0.00 H new ATOM 0 HA PHE A 8 1.486 3.760 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.038 3.944 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.512 2.552 1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.428 4.813 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.050 0.884 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.784 3.979 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.406 0.049 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.245 1.606 0.905 1.00 0.00 H new ATOM 129 N PHE A 9 3.485 4.792 1.845 1.00 0.00 N ATOM 130 CA PHE A 9 4.639 5.600 1.492 1.00 0.00 C ATOM 131 C PHE A 9 4.343 6.476 0.273 1.00 0.00 C ATOM 132 O PHE A 9 3.374 6.238 -0.447 1.00 0.00 O ATOM 133 CB PHE A 9 5.773 4.634 1.146 1.00 0.00 C ATOM 134 CG PHE A 9 5.328 3.417 0.332 1.00 0.00 C ATOM 135 CD1 PHE A 9 5.279 3.488 -1.025 1.00 0.00 C ATOM 136 CD2 PHE A 9 4.982 2.265 0.966 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.866 2.359 -1.780 1.00 0.00 C ATOM 138 CE2 PHE A 9 4.569 1.136 0.211 1.00 0.00 C ATOM 139 CZ PHE A 9 4.520 1.206 -1.146 1.00 0.00 C ATOM 0 H PHE A 9 3.704 3.836 2.126 1.00 0.00 H new ATOM 0 HA PHE A 9 4.902 6.255 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.537 5.173 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.238 4.290 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.554 4.403 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.021 2.209 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.826 2.415 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.294 0.221 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.207 0.347 -1.720 1.00 0.00 H new ATOM 149 N GLN A 10 5.195 7.472 0.079 1.00 0.00 N ATOM 150 CA GLN A 10 5.036 8.385 -1.041 1.00 0.00 C ATOM 151 C GLN A 10 5.248 7.645 -2.363 1.00 0.00 C ATOM 152 O GLN A 10 4.569 7.924 -3.350 1.00 0.00 O ATOM 153 CB GLN A 10 5.992 9.574 -0.918 1.00 0.00 C ATOM 154 CG GLN A 10 7.435 9.101 -0.736 1.00 0.00 C ATOM 155 CD GLN A 10 8.277 9.421 -1.973 1.00 0.00 C ATOM 156 OE1 GLN A 10 7.880 10.172 -2.849 1.00 0.00 O ATOM 157 NE2 GLN A 10 9.459 8.812 -1.995 1.00 0.00 N ATOM 0 H GLN A 10 5.997 7.667 0.678 1.00 0.00 H new ATOM 0 HA GLN A 10 4.019 8.776 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.920 10.197 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.699 10.194 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.871 9.582 0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.449 8.027 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.729 8.196 -1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.095 8.961 -2.778 1.00 0.00 H new ATOM 166 N ARG A 11 6.193 6.716 -2.340 1.00 0.00 N ATOM 167 CA ARG A 11 6.502 5.934 -3.525 1.00 0.00 C ATOM 168 C ARG A 11 5.230 5.300 -4.090 1.00 0.00 C ATOM 169 O ARG A 11 5.190 4.913 -5.256 1.00 0.00 O ATOM 170 CB ARG A 11 7.516 4.833 -3.208 1.00 0.00 C ATOM 171 CG ARG A 11 8.621 5.353 -2.287 1.00 0.00 C ATOM 172 CD ARG A 11 9.881 4.492 -2.401 1.00 0.00 C ATOM 173 NE ARG A 11 10.477 4.645 -3.747 1.00 0.00 N ATOM 174 CZ ARG A 11 10.231 3.815 -4.783 1.00 0.00 C ATOM 175 NH1 ARG A 11 9.396 2.765 -4.636 1.00 0.00 N ATOM 176 NH2 ARG A 11 10.819 4.046 -5.942 1.00 0.00 N ATOM 0 H ARG A 11 6.754 6.488 -1.520 1.00 0.00 H new ATOM 0 HA ARG A 11 6.934 6.608 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.009 3.992 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.955 4.460 -4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.857 6.386 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.269 5.354 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.603 4.786 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.634 3.446 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 11 11.114 5.427 -3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.945 2.594 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.216 2.143 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.448 4.842 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.644 3.429 -6.735 1.00 0.00 H new ATOM 189 N PHE A 12 4.220 5.214 -3.236 1.00 0.00 N ATOM 190 CA PHE A 12 2.950 4.633 -3.635 1.00 0.00 C ATOM 191 C PHE A 12 2.113 5.639 -4.429 1.00 0.00 C ATOM 192 O PHE A 12 1.494 5.283 -5.431 1.00 0.00 O ATOM 193 CB PHE A 12 2.202 4.266 -2.352 1.00 0.00 C ATOM 194 CG PHE A 12 1.510 2.903 -2.403 1.00 0.00 C ATOM 195 CD1 PHE A 12 0.635 2.622 -3.405 1.00 0.00 C ATOM 196 CD2 PHE A 12 1.770 1.972 -1.446 1.00 0.00 C ATOM 197 CE1 PHE A 12 -0.008 1.356 -3.453 1.00 0.00 C ATOM 198 CE2 PHE A 12 1.128 0.706 -1.494 1.00 0.00 C ATOM 199 CZ PHE A 12 0.253 0.425 -2.496 1.00 0.00 C ATOM 0 H PHE A 12 4.256 5.537 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 12 3.122 3.763 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.905 4.274 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.456 5.033 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.429 3.361 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.465 2.195 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.703 1.133 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.335 -0.033 -0.735 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.235 -0.538 -2.532 1.00 0.00 H new ATOM 209 N GLN A 13 2.121 6.875 -3.951 1.00 0.00 N ATOM 210 CA GLN A 13 1.370 7.934 -4.603 1.00 0.00 C ATOM 211 C GLN A 13 1.938 8.206 -5.997 1.00 0.00 C ATOM 212 O GLN A 13 1.186 8.393 -6.953 1.00 0.00 O ATOM 213 CB GLN A 13 1.367 9.207 -3.754 1.00 0.00 C ATOM 214 CG GLN A 13 -0.014 9.455 -3.144 1.00 0.00 C ATOM 215 CD GLN A 13 -0.674 10.688 -3.766 1.00 0.00 C ATOM 216 OE1 GLN A 13 -1.254 10.456 -4.940 1.00 0.00 O flip ATOM 217 NE2 GLN A 13 -0.658 11.777 -3.216 1.00 0.00 N flip ATOM 0 H GLN A 13 2.636 7.166 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 13 0.336 7.606 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.109 9.121 -2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.655 10.059 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.647 8.581 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.079 9.592 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.194 11.886 -2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.108 12.578 -3.658 1.00 0.00 H new ATOM 226 N ASP A 14 3.261 8.220 -6.070 1.00 0.00 N ATOM 227 CA ASP A 14 3.939 8.467 -7.331 1.00 0.00 C ATOM 228 C ASP A 14 3.725 7.272 -8.262 1.00 0.00 C ATOM 229 O ASP A 14 3.377 7.444 -9.429 1.00 0.00 O ATOM 230 CB ASP A 14 5.445 8.640 -7.123 1.00 0.00 C ATOM 231 CG ASP A 14 6.283 8.601 -8.402 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.745 8.526 -9.517 1.00 0.00 O ATOM 233 OD2 ASP A 14 7.559 8.653 -8.219 1.00 0.00 O ATOM 0 H ASP A 14 3.882 8.064 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 14 3.528 9.380 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.620 9.591 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.796 7.856 -6.452 1.00 0.00 H new ATOM 239 N ASP A 15 3.942 6.086 -7.711 1.00 0.00 N ATOM 240 CA ASP A 15 3.777 4.863 -8.477 1.00 0.00 C ATOM 241 C ASP A 15 2.317 4.734 -8.916 1.00 0.00 C ATOM 242 O ASP A 15 2.031 4.183 -9.978 1.00 0.00 O ATOM 243 CB ASP A 15 4.128 3.635 -7.636 1.00 0.00 C ATOM 244 CG ASP A 15 3.983 2.293 -8.358 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.963 1.554 -8.536 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.787 2.013 -8.751 1.00 0.00 O ATOM 0 H ASP A 15 4.231 5.947 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 15 4.443 4.912 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.156 3.734 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.491 3.625 -6.751 1.00 0.00 H new ATOM 252 N ILE A 16 1.433 5.252 -8.077 1.00 0.00 N ATOM 253 CA ILE A 16 0.009 5.202 -8.365 1.00 0.00 C ATOM 254 C ILE A 16 -0.292 6.081 -9.581 1.00 0.00 C ATOM 255 O ILE A 16 -1.000 5.661 -10.495 1.00 0.00 O ATOM 256 CB ILE A 16 -0.802 5.572 -7.122 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.943 4.373 -6.182 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.161 6.159 -7.510 1.00 0.00 C ATOM 259 CD1 ILE A 16 -1.372 4.821 -4.783 1.00 0.00 C ATOM 0 H ILE A 16 1.675 5.709 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.293 4.187 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.260 6.345 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.676 3.675 -6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.006 3.840 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.718 6.414 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.012 7.057 -8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.723 5.425 -8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.465 3.950 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.624 5.500 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.333 5.333 -4.843 1.00 0.00 H new ATOM 271 N LEU A 17 0.260 7.285 -9.552 1.00 0.00 N ATOM 272 CA LEU A 17 0.059 8.227 -10.640 1.00 0.00 C ATOM 273 C LEU A 17 0.540 7.597 -11.949 1.00 0.00 C ATOM 274 O LEU A 17 0.086 7.975 -13.027 1.00 0.00 O ATOM 275 CB LEU A 17 0.727 9.566 -10.320 1.00 0.00 C ATOM 276 CG LEU A 17 1.880 9.977 -11.238 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.357 10.663 -12.501 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.892 10.847 -10.490 1.00 0.00 C ATOM 0 H LEU A 17 0.846 7.630 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.001 8.448 -10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.034 10.346 -10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.100 9.528 -9.296 1.00 0.00 H new ATOM 0 HG LEU A 17 2.403 9.075 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.197 10.945 -13.136 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.705 9.978 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.796 11.555 -12.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.701 11.126 -11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.398 11.747 -10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.299 10.289 -9.647 1.00 0.00 H new ATOM 290 N ALA A 18 1.454 6.648 -11.811 1.00 0.00 N ATOM 291 CA ALA A 18 2.001 5.962 -12.969 1.00 0.00 C ATOM 292 C ALA A 18 1.011 4.895 -13.441 1.00 0.00 C ATOM 293 O ALA A 18 1.280 4.173 -14.399 1.00 0.00 O ATOM 294 CB ALA A 18 3.368 5.373 -12.615 1.00 0.00 C ATOM 0 H ALA A 18 1.830 6.338 -10.915 1.00 0.00 H new ATOM 0 HA ALA A 18 2.150 6.660 -13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.778 4.858 -13.484 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.043 6.175 -12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.258 4.666 -11.793 1.00 0.00 H new ATOM 300 N GLY A 19 -0.115 4.830 -12.745 1.00 0.00 N ATOM 301 CA GLY A 19 -1.147 3.864 -13.080 1.00 0.00 C ATOM 302 C GLY A 19 -0.753 2.459 -12.621 1.00 0.00 C ATOM 303 O GLY A 19 -0.347 2.268 -11.475 1.00 0.00 O ATOM 0 H GLY A 19 -0.335 5.431 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.087 4.153 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.315 3.865 -14.157 1.00 0.00 H new ATOM 307 N ARG A 20 -0.886 1.512 -13.537 1.00 0.00 N ATOM 308 CA ARG A 20 -0.549 0.130 -13.241 1.00 0.00 C ATOM 309 C ARG A 20 -1.074 -0.259 -11.857 1.00 0.00 C ATOM 310 O ARG A 20 -0.405 -0.032 -10.849 1.00 0.00 O ATOM 311 CB ARG A 20 0.965 -0.090 -13.285 1.00 0.00 C ATOM 312 CG ARG A 20 1.339 -1.116 -14.356 1.00 0.00 C ATOM 313 CD ARG A 20 2.367 -0.540 -15.332 1.00 0.00 C ATOM 314 NE ARG A 20 3.057 -1.637 -16.046 1.00 0.00 N ATOM 315 CZ ARG A 20 4.103 -1.457 -16.881 1.00 0.00 C ATOM 316 NH1 ARG A 20 4.588 -0.219 -17.113 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.643 -2.509 -17.466 1.00 0.00 N ATOM 0 H ARG A 20 -1.223 1.674 -14.486 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.017 -0.496 -14.001 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.468 0.855 -13.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.315 -0.432 -12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.743 -2.010 -13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.445 -1.420 -14.901 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.873 0.117 -16.048 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.094 0.067 -14.792 1.00 0.00 H new ATOM 0 HE ARG A 20 2.722 -2.589 -15.898 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.164 0.589 -16.656 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.378 -0.091 -17.745 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.270 -3.441 -17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.434 -2.390 -18.099 1.00 0.00 H new ATOM 330 N LYS A 21 -2.265 -0.838 -11.852 1.00 0.00 N ATOM 331 CA LYS A 21 -2.887 -1.261 -10.609 1.00 0.00 C ATOM 332 C LYS A 21 -1.815 -1.822 -9.673 1.00 0.00 C ATOM 333 O LYS A 21 -0.790 -2.327 -10.129 1.00 0.00 O ATOM 334 CB LYS A 21 -4.033 -2.236 -10.887 1.00 0.00 C ATOM 335 CG LYS A 21 -3.499 -3.585 -11.372 1.00 0.00 C ATOM 336 CD LYS A 21 -3.808 -3.796 -12.856 1.00 0.00 C ATOM 337 CE LYS A 21 -4.621 -5.074 -13.070 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.329 -5.027 -14.369 1.00 0.00 N ATOM 0 H LYS A 21 -2.816 -1.024 -12.690 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.341 -0.410 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.622 -2.378 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.701 -1.814 -11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.422 -3.633 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.945 -4.389 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.362 -2.940 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.877 -3.854 -13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.961 -5.941 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.341 -5.194 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.876 -5.902 -14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.973 -4.211 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.636 -4.935 -15.139 1.00 0.00 H new ATOM 351 N THR A 22 -2.089 -1.716 -8.381 1.00 0.00 N ATOM 352 CA THR A 22 -1.161 -2.208 -7.376 1.00 0.00 C ATOM 353 C THR A 22 -1.924 -2.792 -6.186 1.00 0.00 C ATOM 354 O THR A 22 -2.994 -2.302 -5.829 1.00 0.00 O ATOM 355 CB THR A 22 -0.226 -1.059 -6.995 1.00 0.00 C ATOM 356 OG1 THR A 22 0.557 -0.844 -8.166 1.00 0.00 O ATOM 357 CG2 THR A 22 0.798 -1.465 -5.932 1.00 0.00 C ATOM 0 H THR A 22 -2.940 -1.297 -8.007 1.00 0.00 H new ATOM 0 HA THR A 22 -0.553 -3.026 -7.764 1.00 0.00 H new ATOM 0 HB THR A 22 -0.816 -0.218 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.190 -0.113 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.437 -0.613 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.278 -1.787 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.410 -2.284 -6.310 1.00 0.00 H new ATOM 365 N ILE A 23 -1.343 -3.830 -5.603 1.00 0.00 N ATOM 366 CA ILE A 23 -1.954 -4.486 -4.460 1.00 0.00 C ATOM 367 C ILE A 23 -1.362 -3.912 -3.171 1.00 0.00 C ATOM 368 O ILE A 23 -0.275 -3.336 -3.186 1.00 0.00 O ATOM 369 CB ILE A 23 -1.816 -6.005 -4.577 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.344 -6.407 -5.975 1.00 0.00 C ATOM 371 CG2 ILE A 23 -3.120 -6.705 -4.189 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.184 -6.426 -6.053 1.00 0.00 C ATOM 0 H ILE A 23 -0.455 -4.233 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.025 -4.288 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.052 -6.334 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.737 -7.392 -6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.741 -5.708 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.995 -7.784 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.374 -6.456 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.921 -6.375 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.493 -6.715 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.572 -5.433 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.576 -7.143 -5.332 1.00 0.00 H new ATOM 384 N THR A 24 -2.103 -4.089 -2.087 1.00 0.00 N ATOM 385 CA THR A 24 -1.664 -3.596 -0.793 1.00 0.00 C ATOM 386 C THR A 24 -1.726 -4.712 0.252 1.00 0.00 C ATOM 387 O THR A 24 -2.247 -5.793 -0.019 1.00 0.00 O ATOM 388 CB THR A 24 -2.522 -2.381 -0.435 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.847 -2.899 -0.364 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.583 -1.354 -1.567 1.00 0.00 C ATOM 0 H THR A 24 -3.004 -4.567 -2.078 1.00 0.00 H new ATOM 0 HA THR A 24 -0.621 -3.279 -0.823 1.00 0.00 H new ATOM 0 HB THR A 24 -2.124 -1.908 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.173 -3.088 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.204 -0.512 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.577 -1.000 -1.792 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.011 -1.817 -2.456 1.00 0.00 H new ATOM 398 N ILE A 25 -1.188 -4.412 1.425 1.00 0.00 N ATOM 399 CA ILE A 25 -1.176 -5.376 2.512 1.00 0.00 C ATOM 400 C ILE A 25 -1.765 -4.730 3.768 1.00 0.00 C ATOM 401 O ILE A 25 -1.355 -3.638 4.159 1.00 0.00 O ATOM 402 CB ILE A 25 0.232 -5.940 2.712 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.766 -6.555 1.417 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.265 -6.933 3.875 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.484 -5.506 0.566 1.00 0.00 C ATOM 0 H ILE A 25 -0.757 -3.514 1.646 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.805 -6.232 2.269 1.00 0.00 H new ATOM 0 HB ILE A 25 0.896 -5.116 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.452 -7.369 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.058 -6.987 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.277 -7.319 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.043 -6.430 4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.416 -7.759 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.854 -5.970 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.789 -4.706 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.322 -5.093 1.128 1.00 0.00 H new ATOM 417 N ARG A 26 -2.716 -5.433 4.365 1.00 0.00 N ATOM 418 CA ARG A 26 -3.365 -4.942 5.569 1.00 0.00 C ATOM 419 C ARG A 26 -3.262 -5.980 6.688 1.00 0.00 C ATOM 420 O ARG A 26 -2.826 -7.106 6.457 1.00 0.00 O ATOM 421 CB ARG A 26 -4.839 -4.625 5.310 1.00 0.00 C ATOM 422 CG ARG A 26 -5.161 -4.696 3.816 1.00 0.00 C ATOM 423 CD ARG A 26 -4.655 -3.450 3.086 1.00 0.00 C ATOM 424 NE ARG A 26 -5.278 -2.238 3.663 1.00 0.00 N ATOM 425 CZ ARG A 26 -6.426 -1.689 3.211 1.00 0.00 C ATOM 426 NH1 ARG A 26 -7.086 -2.241 2.171 1.00 0.00 N ATOM 427 NH2 ARG A 26 -6.893 -0.605 3.801 1.00 0.00 N ATOM 0 H ARG A 26 -3.053 -6.338 4.038 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.856 -4.026 5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.467 -5.330 5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.073 -3.630 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.704 -5.586 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.238 -4.791 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.570 -3.386 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.891 -3.520 2.024 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.811 -1.789 4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.718 -3.079 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.953 -1.820 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.388 -0.194 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.759 -0.178 3.472 1.00 0.00 H new ATOM 440 N ASP A 27 -3.672 -5.563 7.878 1.00 0.00 N ATOM 441 CA ASP A 27 -3.632 -6.442 9.033 1.00 0.00 C ATOM 442 C ASP A 27 -5.005 -7.090 9.224 1.00 0.00 C ATOM 443 O ASP A 27 -6.023 -6.401 9.241 1.00 0.00 O ATOM 444 CB ASP A 27 -3.295 -5.664 10.307 1.00 0.00 C ATOM 445 CG ASP A 27 -3.635 -6.383 11.614 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.703 -5.763 12.685 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.838 -7.652 11.500 1.00 0.00 O ATOM 0 H ASP A 27 -4.033 -4.628 8.066 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.864 -7.195 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.229 -5.434 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.826 -4.713 10.285 1.00 0.00 H new ATOM 453 N GLU A 28 -4.988 -8.408 9.363 1.00 0.00 N ATOM 454 CA GLU A 28 -6.219 -9.156 9.552 1.00 0.00 C ATOM 455 C GLU A 28 -7.084 -8.492 10.624 1.00 0.00 C ATOM 456 O GLU A 28 -8.282 -8.295 10.426 1.00 0.00 O ATOM 457 CB GLU A 28 -5.924 -10.614 9.910 1.00 0.00 C ATOM 458 CG GLU A 28 -7.207 -11.354 10.295 1.00 0.00 C ATOM 459 CD GLU A 28 -8.229 -11.309 9.156 1.00 0.00 C ATOM 460 OE1 GLU A 28 -8.462 -12.329 8.492 1.00 0.00 O ATOM 461 OE2 GLU A 28 -8.790 -10.162 8.973 1.00 0.00 O ATOM 0 H GLU A 28 -4.141 -8.977 9.348 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.772 -9.152 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.453 -11.112 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.215 -10.653 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.974 -12.391 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.635 -10.905 11.191 1.00 0.00 H new ATOM 469 N SER A 29 -6.444 -8.165 11.737 1.00 0.00 N ATOM 470 CA SER A 29 -7.141 -7.528 12.842 1.00 0.00 C ATOM 471 C SER A 29 -7.726 -6.189 12.388 1.00 0.00 C ATOM 472 O SER A 29 -8.680 -5.691 12.983 1.00 0.00 O ATOM 473 CB SER A 29 -6.207 -7.321 14.036 1.00 0.00 C ATOM 474 OG SER A 29 -6.575 -6.183 14.810 1.00 0.00 O ATOM 0 H SER A 29 -5.450 -8.329 11.898 1.00 0.00 H new ATOM 0 HA SER A 29 -7.952 -8.184 13.159 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.223 -8.209 14.667 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.184 -7.202 13.680 1.00 0.00 H new ATOM 0 HG SER A 29 -5.956 -6.086 15.563 1.00 0.00 H new ATOM 480 N GLU A 30 -7.131 -5.645 11.337 1.00 0.00 N ATOM 481 CA GLU A 30 -7.581 -4.374 10.796 1.00 0.00 C ATOM 482 C GLU A 30 -7.984 -4.534 9.329 1.00 0.00 C ATOM 483 O GLU A 30 -7.895 -3.586 8.550 1.00 0.00 O ATOM 484 CB GLU A 30 -6.505 -3.298 10.955 1.00 0.00 C ATOM 485 CG GLU A 30 -6.465 -2.771 12.391 1.00 0.00 C ATOM 486 CD GLU A 30 -7.529 -1.695 12.611 1.00 0.00 C ATOM 487 OE1 GLU A 30 -7.297 -0.519 12.294 1.00 0.00 O ATOM 488 OE2 GLU A 30 -8.632 -2.117 13.130 1.00 0.00 O ATOM 0 H GLU A 30 -6.340 -6.062 10.845 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.456 -4.051 11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.532 -3.710 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.703 -2.476 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.625 -3.593 13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.478 -2.360 12.604 1.00 0.00 H new ATOM 496 N SER A 31 -8.418 -5.740 8.996 1.00 0.00 N ATOM 497 CA SER A 31 -8.835 -6.037 7.636 1.00 0.00 C ATOM 498 C SER A 31 -10.332 -6.352 7.604 1.00 0.00 C ATOM 499 O SER A 31 -10.733 -7.495 7.817 1.00 0.00 O ATOM 500 CB SER A 31 -8.034 -7.205 7.056 1.00 0.00 C ATOM 501 OG SER A 31 -7.579 -6.936 5.733 1.00 0.00 O ATOM 0 H SER A 31 -8.490 -6.524 9.645 1.00 0.00 H new ATOM 0 HA SER A 31 -8.642 -5.159 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.178 -7.412 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.653 -8.102 7.051 1.00 0.00 H new ATOM 0 HG SER A 31 -7.269 -7.768 5.318 1.00 0.00 H new ATOM 507 N HIS A 32 -11.116 -5.318 7.336 1.00 0.00 N ATOM 508 CA HIS A 32 -12.560 -5.471 7.274 1.00 0.00 C ATOM 509 C HIS A 32 -13.139 -4.463 6.279 1.00 0.00 C ATOM 510 O HIS A 32 -13.063 -3.255 6.498 1.00 0.00 O ATOM 511 CB HIS A 32 -13.179 -5.352 8.667 1.00 0.00 C ATOM 512 CG HIS A 32 -12.678 -4.170 9.464 1.00 0.00 C ATOM 513 ND1 HIS A 32 -11.457 -4.169 10.116 1.00 0.00 N ATOM 514 CD2 HIS A 32 -13.244 -2.953 9.705 1.00 0.00 C ATOM 515 CE1 HIS A 32 -11.307 -3.000 10.719 1.00 0.00 C ATOM 516 NE2 HIS A 32 -12.416 -2.248 10.464 1.00 0.00 N ATOM 0 H HIS A 32 -10.779 -4.372 7.159 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.809 -6.469 6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.262 -5.277 8.567 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.973 -6.266 9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.204 -2.620 9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.456 -2.695 11.309 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -12.581 -1.300 10.801 1.00 0.00 H new ATOM 524 N PHE A 33 -13.706 -4.998 5.207 1.00 0.00 N ATOM 525 CA PHE A 33 -14.299 -4.161 4.178 1.00 0.00 C ATOM 526 C PHE A 33 -14.963 -5.012 3.094 1.00 0.00 C ATOM 527 O PHE A 33 -15.476 -6.094 3.377 1.00 0.00 O ATOM 528 CB PHE A 33 -13.162 -3.352 3.549 1.00 0.00 C ATOM 529 CG PHE A 33 -13.546 -1.916 3.187 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.303 -1.178 4.042 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.129 -1.378 2.009 1.00 0.00 C ATOM 532 CE1 PHE A 33 -14.659 0.154 3.706 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.485 -0.045 1.673 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.243 0.693 2.528 1.00 0.00 C ATOM 0 H PHE A 33 -13.767 -6.001 5.029 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.062 -3.518 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.320 -3.329 4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.820 -3.864 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.633 -1.606 4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.528 -1.964 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.260 0.740 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.154 0.383 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.515 1.706 2.272 1.00 0.00 H new ATOM 544 N LYS A 34 -14.934 -4.491 1.876 1.00 0.00 N ATOM 545 CA LYS A 34 -15.527 -5.189 0.749 1.00 0.00 C ATOM 546 C LYS A 34 -14.955 -4.625 -0.553 1.00 0.00 C ATOM 547 O LYS A 34 -14.607 -3.448 -0.624 1.00 0.00 O ATOM 548 CB LYS A 34 -17.054 -5.131 0.826 1.00 0.00 C ATOM 549 CG LYS A 34 -17.535 -3.706 1.103 1.00 0.00 C ATOM 550 CD LYS A 34 -18.690 -3.327 0.174 1.00 0.00 C ATOM 551 CE LYS A 34 -20.032 -3.776 0.756 1.00 0.00 C ATOM 552 NZ LYS A 34 -21.015 -4.007 -0.326 1.00 0.00 N ATOM 0 H LYS A 34 -14.509 -3.593 1.645 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.269 -6.248 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.483 -5.488 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.408 -5.797 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.856 -3.622 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.710 -3.007 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.699 -2.248 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.541 -3.787 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.897 -4.690 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -20.409 -3.018 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -21.920 -4.311 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -21.157 -3.126 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.660 -4.746 -0.965 1.00 0.00 H new ATOM 565 N THR A 35 -14.877 -5.492 -1.552 1.00 0.00 N ATOM 566 CA THR A 35 -14.353 -5.095 -2.848 1.00 0.00 C ATOM 567 C THR A 35 -15.344 -4.175 -3.565 1.00 0.00 C ATOM 568 O THR A 35 -16.533 -4.170 -3.247 1.00 0.00 O ATOM 569 CB THR A 35 -14.025 -6.365 -3.635 1.00 0.00 C ATOM 570 OG1 THR A 35 -13.196 -7.116 -2.752 1.00 0.00 O ATOM 571 CG2 THR A 35 -13.129 -6.090 -4.844 1.00 0.00 C ATOM 0 H THR A 35 -15.168 -6.468 -1.490 1.00 0.00 H new ATOM 0 HA THR A 35 -13.436 -4.515 -2.743 1.00 0.00 H new ATOM 0 HB THR A 35 -14.951 -6.834 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.938 -7.958 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.927 -7.025 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.632 -5.398 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.189 -5.652 -4.508 1.00 0.00 H new ATOM 579 N GLY A 36 -14.819 -3.419 -4.517 1.00 0.00 N ATOM 580 CA GLY A 36 -15.642 -2.498 -5.282 1.00 0.00 C ATOM 581 C GLY A 36 -15.790 -1.161 -4.552 1.00 0.00 C ATOM 582 O GLY A 36 -16.217 -0.171 -5.144 1.00 0.00 O ATOM 0 H GLY A 36 -13.833 -3.425 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.195 -2.334 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.626 -2.936 -5.449 1.00 0.00 H new ATOM 586 N ASP A 37 -15.431 -1.176 -3.277 1.00 0.00 N ATOM 587 CA ASP A 37 -15.519 0.022 -2.460 1.00 0.00 C ATOM 588 C ASP A 37 -14.394 0.984 -2.850 1.00 0.00 C ATOM 589 O ASP A 37 -13.642 0.718 -3.787 1.00 0.00 O ATOM 590 CB ASP A 37 -15.362 -0.311 -0.975 1.00 0.00 C ATOM 591 CG ASP A 37 -16.669 -0.356 -0.181 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.759 -0.142 -0.732 1.00 0.00 O ATOM 593 OD2 ASP A 37 -16.535 -0.627 1.073 1.00 0.00 O ATOM 0 H ASP A 37 -15.078 -2.000 -2.789 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.497 0.473 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.866 -1.278 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.703 0.429 -0.520 1.00 0.00 H new ATOM 599 N VAL A 38 -14.315 2.081 -2.113 1.00 0.00 N ATOM 600 CA VAL A 38 -13.295 3.084 -2.370 1.00 0.00 C ATOM 601 C VAL A 38 -12.211 2.990 -1.295 1.00 0.00 C ATOM 602 O VAL A 38 -12.515 2.837 -0.113 1.00 0.00 O ATOM 603 CB VAL A 38 -13.935 4.471 -2.455 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.160 5.484 -1.609 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.042 4.938 -3.908 1.00 0.00 C ATOM 0 H VAL A 38 -14.941 2.298 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.815 2.903 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.945 4.399 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.635 6.462 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.159 5.163 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.134 5.550 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.500 5.926 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.046 4.985 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.656 4.235 -4.472 1.00 0.00 H new ATOM 615 N LEU A 39 -10.968 3.085 -1.743 1.00 0.00 N ATOM 616 CA LEU A 39 -9.837 3.013 -0.834 1.00 0.00 C ATOM 617 C LEU A 39 -9.071 4.337 -0.873 1.00 0.00 C ATOM 618 O LEU A 39 -8.336 4.606 -1.821 1.00 0.00 O ATOM 619 CB LEU A 39 -8.971 1.792 -1.152 1.00 0.00 C ATOM 620 CG LEU A 39 -9.337 0.500 -0.419 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.508 -0.677 -0.937 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.205 0.673 1.095 1.00 0.00 C ATOM 0 H LEU A 39 -10.719 3.211 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.181 2.873 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.022 1.605 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.934 2.036 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.383 0.273 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.787 -1.583 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.696 -0.814 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.449 -0.474 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.471 -0.260 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.177 0.936 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.873 1.466 1.430 1.00 0.00 H new ATOM 634 N ARG A 40 -9.270 5.129 0.171 1.00 0.00 N ATOM 635 CA ARG A 40 -8.608 6.419 0.268 1.00 0.00 C ATOM 636 C ARG A 40 -7.099 6.229 0.432 1.00 0.00 C ATOM 637 O ARG A 40 -6.654 5.481 1.301 1.00 0.00 O ATOM 638 CB ARG A 40 -9.145 7.226 1.451 1.00 0.00 C ATOM 639 CG ARG A 40 -9.524 8.644 1.021 1.00 0.00 C ATOM 640 CD ARG A 40 -10.916 9.020 1.535 1.00 0.00 C ATOM 641 NE ARG A 40 -11.913 8.865 0.453 1.00 0.00 N ATOM 642 CZ ARG A 40 -13.249 8.922 0.641 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.759 9.132 1.873 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.049 8.770 -0.398 1.00 0.00 N ATOM 0 H ARG A 40 -9.880 4.902 0.956 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.811 6.967 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.017 6.725 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.392 7.270 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.788 9.352 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.502 8.716 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.184 8.387 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.914 10.049 1.895 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.570 8.705 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.134 9.249 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.769 9.174 2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.656 8.612 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.061 8.810 -0.273 1.00 0.00 H new ATOM 657 N VAL A 41 -6.352 6.920 -0.417 1.00 0.00 N ATOM 658 CA VAL A 41 -4.902 6.837 -0.378 1.00 0.00 C ATOM 659 C VAL A 41 -4.325 8.221 -0.071 1.00 0.00 C ATOM 660 O VAL A 41 -5.001 9.233 -0.249 1.00 0.00 O ATOM 661 CB VAL A 41 -4.375 6.247 -1.687 1.00 0.00 C ATOM 662 CG1 VAL A 41 -4.575 7.223 -2.848 1.00 0.00 C ATOM 663 CG2 VAL A 41 -2.905 5.845 -1.556 1.00 0.00 C ATOM 0 H VAL A 41 -6.724 7.540 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.579 6.166 0.418 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.950 5.346 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.192 6.779 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.637 7.437 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.039 8.149 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.556 5.429 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.309 6.722 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.801 5.097 -0.770 1.00 0.00 H new ATOM 673 N GLY A 42 -3.081 8.220 0.385 1.00 0.00 N ATOM 674 CA GLY A 42 -2.405 9.462 0.718 1.00 0.00 C ATOM 675 C GLY A 42 -0.900 9.240 0.885 1.00 0.00 C ATOM 676 O GLY A 42 -0.233 8.769 -0.034 1.00 0.00 O ATOM 0 H GLY A 42 -2.524 7.378 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.583 10.198 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.820 9.871 1.639 1.00 0.00 H new ATOM 680 N ARG A 43 -0.410 9.590 2.065 1.00 0.00 N ATOM 681 CA ARG A 43 1.003 9.435 2.364 1.00 0.00 C ATOM 682 C ARG A 43 1.191 8.957 3.806 1.00 0.00 C ATOM 683 O ARG A 43 0.663 9.560 4.738 1.00 0.00 O ATOM 684 CB ARG A 43 1.755 10.753 2.170 1.00 0.00 C ATOM 685 CG ARG A 43 2.605 10.716 0.898 1.00 0.00 C ATOM 686 CD ARG A 43 2.456 12.014 0.101 1.00 0.00 C ATOM 687 NE ARG A 43 3.768 12.690 -0.014 1.00 0.00 N ATOM 688 CZ ARG A 43 4.038 13.673 -0.900 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.087 14.102 -1.757 1.00 0.00 N ATOM 690 NH2 ARG A 43 5.245 14.207 -0.915 1.00 0.00 N ATOM 0 H ARG A 43 -0.967 9.980 2.825 1.00 0.00 H new ATOM 0 HA ARG A 43 1.408 8.694 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.044 11.577 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.393 10.942 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.652 10.564 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.305 9.869 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.061 11.798 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.740 12.672 0.593 1.00 0.00 H new ATOM 0 HE ARG A 43 4.515 12.395 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.157 13.683 -1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.298 14.845 -2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.957 13.876 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.466 14.950 -1.578 1.00 0.00 H new ATOM 813 N CYS A 51 -5.448 11.361 -2.135 1.00 0.00 N ATOM 814 CA CYS A 51 -6.224 10.940 -3.289 1.00 0.00 C ATOM 815 C CYS A 51 -7.125 9.778 -2.864 1.00 0.00 C ATOM 816 O CYS A 51 -7.132 9.388 -1.697 1.00 0.00 O ATOM 817 CB CYS A 51 -5.326 10.563 -4.469 1.00 0.00 C ATOM 818 SG CYS A 51 -4.130 11.909 -4.799 1.00 0.00 S ATOM 0 HA CYS A 51 -6.840 11.769 -3.637 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.793 9.637 -4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.934 10.380 -5.355 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.930 11.415 -4.871 1.00 0.00 H new ATOM 824 N THR A 52 -7.862 9.257 -3.834 1.00 0.00 N ATOM 825 CA THR A 52 -8.764 8.148 -3.575 1.00 0.00 C ATOM 826 C THR A 52 -8.609 7.072 -4.652 1.00 0.00 C ATOM 827 O THR A 52 -8.210 7.368 -5.778 1.00 0.00 O ATOM 828 CB THR A 52 -10.184 8.707 -3.474 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.047 9.854 -2.641 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.122 7.786 -2.690 1.00 0.00 C ATOM 0 H THR A 52 -7.853 9.583 -4.801 1.00 0.00 H new ATOM 0 HA THR A 52 -8.526 7.656 -2.632 1.00 0.00 H new ATOM 0 HB THR A 52 -10.584 8.864 -4.476 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.922 10.280 -2.524 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.117 8.230 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.178 6.817 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.741 7.655 -1.677 1.00 0.00 H new ATOM 838 N ILE A 53 -8.933 5.846 -4.269 1.00 0.00 N ATOM 839 CA ILE A 53 -8.835 4.724 -5.189 1.00 0.00 C ATOM 840 C ILE A 53 -9.999 3.764 -4.940 1.00 0.00 C ATOM 841 O ILE A 53 -10.759 3.936 -3.988 1.00 0.00 O ATOM 842 CB ILE A 53 -7.459 4.064 -5.083 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.485 2.899 -4.091 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.382 5.092 -4.732 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.127 2.733 -3.405 1.00 0.00 C ATOM 0 H ILE A 53 -9.264 5.604 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.920 5.067 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.203 3.651 -6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.257 3.072 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.748 1.979 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.414 4.596 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.343 5.857 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.621 5.557 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.172 1.899 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.362 2.536 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.878 3.646 -2.865 1.00 0.00 H new ATOM 857 N GLU A 54 -10.104 2.772 -5.813 1.00 0.00 N ATOM 858 CA GLU A 54 -11.163 1.784 -5.699 1.00 0.00 C ATOM 859 C GLU A 54 -10.570 0.374 -5.654 1.00 0.00 C ATOM 860 O GLU A 54 -9.569 0.096 -6.313 1.00 0.00 O ATOM 861 CB GLU A 54 -12.165 1.921 -6.847 1.00 0.00 C ATOM 862 CG GLU A 54 -13.603 1.853 -6.329 1.00 0.00 C ATOM 863 CD GLU A 54 -14.576 2.478 -7.331 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.855 1.880 -8.381 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.049 3.628 -6.987 1.00 0.00 O ATOM 0 H GLU A 54 -9.473 2.632 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.701 1.961 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.005 2.867 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.999 1.128 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.879 0.814 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.674 2.373 -5.374 1.00 0.00 H new ATOM 873 N VAL A 55 -11.213 -0.479 -4.870 1.00 0.00 N ATOM 874 CA VAL A 55 -10.762 -1.853 -4.730 1.00 0.00 C ATOM 875 C VAL A 55 -11.117 -2.633 -5.998 1.00 0.00 C ATOM 876 O VAL A 55 -12.096 -2.317 -6.672 1.00 0.00 O ATOM 877 CB VAL A 55 -11.354 -2.472 -3.462 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.358 -3.427 -2.802 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.805 -1.387 -2.482 1.00 0.00 C ATOM 0 H VAL A 55 -12.043 -0.245 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.678 -1.890 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.232 -3.050 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.804 -3.853 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.107 -4.228 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.453 -2.881 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.222 -1.853 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.951 -0.770 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.564 -0.763 -2.954 1.00 0.00 H new ATOM 889 N THR A 56 -10.301 -3.638 -6.284 1.00 0.00 N ATOM 890 CA THR A 56 -10.517 -4.465 -7.459 1.00 0.00 C ATOM 891 C THR A 56 -10.544 -5.945 -7.071 1.00 0.00 C ATOM 892 O THR A 56 -11.401 -6.696 -7.534 1.00 0.00 O ATOM 893 CB THR A 56 -9.432 -4.125 -8.482 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.656 -5.048 -9.545 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.027 -4.467 -7.982 1.00 0.00 C ATOM 0 H THR A 56 -9.490 -3.898 -5.722 1.00 0.00 H new ATOM 0 HA THR A 56 -11.487 -4.262 -7.913 1.00 0.00 H new ATOM 0 HB THR A 56 -9.482 -3.064 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.996 -4.897 -10.254 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.295 -4.206 -8.746 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.818 -3.905 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.966 -5.535 -7.771 1.00 0.00 H new ATOM 903 N ALA A 57 -9.596 -6.319 -6.225 1.00 0.00 N ATOM 904 CA ALA A 57 -9.500 -7.696 -5.769 1.00 0.00 C ATOM 905 C ALA A 57 -8.819 -7.729 -4.399 1.00 0.00 C ATOM 906 O ALA A 57 -8.277 -6.722 -3.947 1.00 0.00 O ATOM 907 CB ALA A 57 -8.751 -8.528 -6.812 1.00 0.00 C ATOM 0 H ALA A 57 -8.887 -5.693 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.492 -8.132 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.679 -9.561 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.290 -8.496 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.749 -8.121 -6.951 1.00 0.00 H new ATOM 913 N THR A 58 -8.871 -8.897 -3.777 1.00 0.00 N ATOM 914 CA THR A 58 -8.266 -9.075 -2.468 1.00 0.00 C ATOM 915 C THR A 58 -7.674 -10.480 -2.339 1.00 0.00 C ATOM 916 O THR A 58 -8.164 -11.423 -2.959 1.00 0.00 O ATOM 917 CB THR A 58 -9.328 -8.764 -1.410 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.330 -7.341 -1.329 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.909 -9.216 -0.010 1.00 0.00 C ATOM 0 H THR A 58 -9.323 -9.730 -4.155 1.00 0.00 H new ATOM 0 HA THR A 58 -7.430 -8.390 -2.323 1.00 0.00 H new ATOM 0 HB THR A 58 -10.265 -9.249 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.857 -6.969 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.697 -8.972 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.741 -10.293 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.990 -8.706 0.277 1.00 0.00 H new ATOM 927 N SER A 59 -6.629 -10.576 -1.531 1.00 0.00 N ATOM 928 CA SER A 59 -5.965 -11.850 -1.314 1.00 0.00 C ATOM 929 C SER A 59 -5.209 -11.826 0.016 1.00 0.00 C ATOM 930 O SER A 59 -5.044 -10.768 0.621 1.00 0.00 O ATOM 931 CB SER A 59 -5.008 -12.175 -2.462 1.00 0.00 C ATOM 932 OG SER A 59 -4.840 -11.071 -3.346 1.00 0.00 O ATOM 0 H SER A 59 -6.225 -9.792 -1.018 1.00 0.00 H new ATOM 0 HA SER A 59 -6.725 -12.630 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.039 -12.464 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.388 -13.031 -3.019 1.00 0.00 H new ATOM 0 HG SER A 59 -4.221 -11.318 -4.064 1.00 0.00 H new ATOM 938 N THR A 60 -4.771 -13.005 0.432 1.00 0.00 N ATOM 939 CA THR A 60 -4.036 -13.133 1.680 1.00 0.00 C ATOM 940 C THR A 60 -2.607 -13.606 1.410 1.00 0.00 C ATOM 941 O THR A 60 -2.392 -14.751 1.015 1.00 0.00 O ATOM 942 CB THR A 60 -4.824 -14.069 2.598 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.560 -14.897 1.702 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.902 -13.335 3.398 1.00 0.00 C ATOM 0 H THR A 60 -4.911 -13.880 -0.072 1.00 0.00 H new ATOM 0 HA THR A 60 -3.936 -12.171 2.182 1.00 0.00 H new ATOM 0 HB THR A 60 -4.138 -14.565 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.098 -15.536 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.431 -14.046 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.436 -12.570 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.608 -12.866 2.712 1.00 0.00 H new ATOM 952 N VAL A 61 -1.665 -12.702 1.636 1.00 0.00 N ATOM 953 CA VAL A 61 -0.262 -13.012 1.423 1.00 0.00 C ATOM 954 C VAL A 61 0.598 -12.080 2.278 1.00 0.00 C ATOM 955 O VAL A 61 0.083 -11.157 2.907 1.00 0.00 O ATOM 956 CB VAL A 61 0.071 -12.933 -0.068 1.00 0.00 C ATOM 957 CG1 VAL A 61 1.004 -14.072 -0.483 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.203 -12.932 -0.915 1.00 0.00 C ATOM 0 H VAL A 61 -1.847 -11.754 1.965 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.045 -14.033 1.737 1.00 0.00 H new ATOM 0 HB VAL A 61 0.592 -11.992 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.225 -13.992 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.932 -14.008 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.521 -15.029 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.938 -12.875 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.763 -13.849 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.817 -12.072 -0.648 1.00 0.00 H new ATOM 968 N THR A 62 1.895 -12.353 2.274 1.00 0.00 N ATOM 969 CA THR A 62 2.831 -11.549 3.041 1.00 0.00 C ATOM 970 C THR A 62 2.933 -10.141 2.453 1.00 0.00 C ATOM 971 O THR A 62 1.992 -9.658 1.824 1.00 0.00 O ATOM 972 CB THR A 62 4.169 -12.290 3.078 1.00 0.00 C ATOM 973 OG1 THR A 62 3.803 -13.667 3.106 1.00 0.00 O ATOM 974 CG2 THR A 62 4.920 -12.077 4.395 1.00 0.00 C ATOM 0 H THR A 62 2.319 -13.120 1.752 1.00 0.00 H new ATOM 0 HA THR A 62 2.488 -11.414 4.067 1.00 0.00 H new ATOM 0 HB THR A 62 4.791 -11.957 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.612 -14.220 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.862 -12.624 4.369 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.121 -11.014 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.312 -12.441 5.223 1.00 0.00 H new ATOM 982 N LEU A 63 4.082 -9.521 2.677 1.00 0.00 N ATOM 983 CA LEU A 63 4.319 -8.178 2.177 1.00 0.00 C ATOM 984 C LEU A 63 5.163 -8.254 0.904 1.00 0.00 C ATOM 985 O LEU A 63 4.663 -8.007 -0.193 1.00 0.00 O ATOM 986 CB LEU A 63 4.931 -7.300 3.270 1.00 0.00 C ATOM 987 CG LEU A 63 6.087 -7.919 4.059 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.394 -7.169 3.796 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.756 -7.989 5.551 1.00 0.00 C ATOM 0 H LEU A 63 4.860 -9.925 3.199 1.00 0.00 H new ATOM 0 HA LEU A 63 3.377 -7.700 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.284 -6.376 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.143 -7.027 3.972 1.00 0.00 H new ATOM 0 HG LEU A 63 6.228 -8.943 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.199 -7.629 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.632 -7.215 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.283 -6.128 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.594 -8.433 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.572 -6.984 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.866 -8.600 5.698 1.00 0.00 H new ATOM 1001 N ASP A 64 6.429 -8.596 1.091 1.00 0.00 N ATOM 1002 CA ASP A 64 7.348 -8.707 -0.029 1.00 0.00 C ATOM 1003 C ASP A 64 6.804 -9.729 -1.030 1.00 0.00 C ATOM 1004 O ASP A 64 7.326 -9.859 -2.136 1.00 0.00 O ATOM 1005 CB ASP A 64 8.725 -9.185 0.433 1.00 0.00 C ATOM 1006 CG ASP A 64 9.910 -8.546 -0.294 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.738 -7.846 -1.302 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.066 -8.796 0.222 1.00 0.00 O ATOM 0 H ASP A 64 6.840 -8.800 2.002 1.00 0.00 H new ATOM 0 HA ASP A 64 7.443 -7.722 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.823 -8.986 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.779 -10.266 0.304 1.00 0.00 H new ATOM 1014 N THR A 65 5.762 -10.428 -0.605 1.00 0.00 N ATOM 1015 CA THR A 65 5.141 -11.435 -1.450 1.00 0.00 C ATOM 1016 C THR A 65 4.391 -10.771 -2.606 1.00 0.00 C ATOM 1017 O THR A 65 3.898 -11.453 -3.504 1.00 0.00 O ATOM 1018 CB THR A 65 4.247 -12.307 -0.567 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.733 -11.404 0.407 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.046 -13.323 0.252 1.00 0.00 C ATOM 0 H THR A 65 5.332 -10.317 0.313 1.00 0.00 H new ATOM 0 HA THR A 65 5.889 -12.078 -1.915 1.00 0.00 H new ATOM 0 HB THR A 65 3.523 -12.832 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.243 -10.684 -0.041 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.364 -13.916 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.597 -13.980 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.747 -12.797 0.900 1.00 0.00 H new ATOM 1028 N LEU A 66 4.328 -9.449 -2.548 1.00 0.00 N ATOM 1029 CA LEU A 66 3.646 -8.686 -3.579 1.00 0.00 C ATOM 1030 C LEU A 66 3.911 -7.194 -3.363 1.00 0.00 C ATOM 1031 O LEU A 66 4.133 -6.455 -4.321 1.00 0.00 O ATOM 1032 CB LEU A 66 2.160 -9.046 -3.618 1.00 0.00 C ATOM 1033 CG LEU A 66 1.429 -9.026 -2.274 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.788 -7.660 -2.019 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.409 -10.163 -2.187 1.00 0.00 C ATOM 0 H LEU A 66 4.738 -8.887 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 66 4.038 -8.941 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.657 -8.354 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.059 -10.042 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 66 2.162 -9.190 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.275 -7.673 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.561 -6.892 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.071 -7.441 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.096 -10.126 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.325 -10.055 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.921 -11.120 -2.292 1.00 0.00 H new ATOM 1047 N THR A 67 3.881 -6.797 -2.100 1.00 0.00 N ATOM 1048 CA THR A 67 4.116 -5.407 -1.746 1.00 0.00 C ATOM 1049 C THR A 67 5.283 -4.841 -2.557 1.00 0.00 C ATOM 1050 O THR A 67 6.164 -5.585 -2.987 1.00 0.00 O ATOM 1051 CB THR A 67 4.334 -5.335 -0.234 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.911 -4.019 0.115 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.815 -5.363 0.146 1.00 0.00 C ATOM 0 H THR A 67 3.697 -7.413 -1.308 1.00 0.00 H new ATOM 0 HA THR A 67 3.257 -4.784 -1.994 1.00 0.00 H new ATOM 0 HB THR A 67 3.820 -6.167 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.163 -3.830 1.043 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.914 -5.309 1.230 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.266 -6.288 -0.214 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.323 -4.512 -0.307 1.00 0.00 H new ATOM 1061 N GLU A 68 5.253 -3.529 -2.741 1.00 0.00 N ATOM 1062 CA GLU A 68 6.298 -2.854 -3.492 1.00 0.00 C ATOM 1063 C GLU A 68 7.676 -3.316 -3.015 1.00 0.00 C ATOM 1064 O GLU A 68 8.654 -3.232 -3.757 1.00 0.00 O ATOM 1065 CB GLU A 68 6.159 -1.335 -3.380 1.00 0.00 C ATOM 1066 CG GLU A 68 5.384 -0.766 -4.571 1.00 0.00 C ATOM 1067 CD GLU A 68 5.998 0.553 -5.045 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.199 0.786 -4.842 1.00 0.00 O ATOM 1069 OE2 GLU A 68 5.181 1.350 -5.646 1.00 0.00 O ATOM 0 H GLU A 68 4.521 -2.915 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 68 6.192 -3.118 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.646 -1.081 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.148 -0.878 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.386 -1.487 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.343 -0.606 -4.289 1.00 0.00 H new ATOM 1077 N LYS A 69 7.711 -3.793 -1.780 1.00 0.00 N ATOM 1078 CA LYS A 69 8.953 -4.268 -1.195 1.00 0.00 C ATOM 1079 C LYS A 69 9.636 -5.230 -2.170 1.00 0.00 C ATOM 1080 O LYS A 69 10.861 -5.337 -2.186 1.00 0.00 O ATOM 1081 CB LYS A 69 8.699 -4.871 0.188 1.00 0.00 C ATOM 1082 CG LYS A 69 10.014 -5.106 0.934 1.00 0.00 C ATOM 1083 CD LYS A 69 9.853 -6.191 2.000 1.00 0.00 C ATOM 1084 CE LYS A 69 11.182 -6.468 2.706 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.250 -7.878 3.148 1.00 0.00 N ATOM 0 H LYS A 69 6.898 -3.861 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 69 9.639 -3.437 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.062 -4.203 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.162 -5.814 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.790 -5.398 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.342 -4.178 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.107 -5.880 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.484 -7.107 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.011 -6.252 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.289 -5.806 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.144 -8.040 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.451 -8.082 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.204 -8.504 2.319 1.00 0.00 H new ATOM 1098 N HIS A 70 8.813 -5.905 -2.958 1.00 0.00 N ATOM 1099 CA HIS A 70 9.321 -6.854 -3.933 1.00 0.00 C ATOM 1100 C HIS A 70 9.986 -6.100 -5.086 1.00 0.00 C ATOM 1101 O HIS A 70 11.145 -6.353 -5.413 1.00 0.00 O ATOM 1102 CB HIS A 70 8.212 -7.797 -4.404 1.00 0.00 C ATOM 1103 CG HIS A 70 8.700 -8.943 -5.257 1.00 0.00 C ATOM 1104 ND1 HIS A 70 7.995 -9.419 -6.349 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.831 -9.702 -5.169 1.00 0.00 C ATOM 1106 CE1 HIS A 70 8.679 -10.419 -6.885 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.816 -10.593 -6.152 1.00 0.00 N ATOM 0 H HIS A 70 7.797 -5.813 -2.941 1.00 0.00 H new ATOM 0 HA HIS A 70 10.081 -7.483 -3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.698 -8.200 -3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.478 -7.224 -4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.607 -9.595 -4.425 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.387 -10.995 -7.751 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.536 -11.293 -6.330 1.00 0.00 H new ATOM 1115 N ALA A 71 9.224 -5.188 -5.672 1.00 0.00 N ATOM 1116 CA ALA A 71 9.724 -4.394 -6.782 1.00 0.00 C ATOM 1117 C ALA A 71 10.996 -3.663 -6.347 1.00 0.00 C ATOM 1118 O ALA A 71 12.006 -3.697 -7.049 1.00 0.00 O ATOM 1119 CB ALA A 71 8.632 -3.433 -7.256 1.00 0.00 C ATOM 0 H ALA A 71 8.263 -4.981 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 71 9.983 -5.034 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.007 -2.838 -8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.762 -4.003 -7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.348 -2.773 -6.437 1.00 0.00 H new ATOM 1125 N GLU A 72 10.905 -3.020 -5.193 1.00 0.00 N ATOM 1126 CA GLU A 72 12.036 -2.282 -4.657 1.00 0.00 C ATOM 1127 C GLU A 72 13.181 -3.238 -4.315 1.00 0.00 C ATOM 1128 O GLU A 72 14.341 -2.954 -4.609 1.00 0.00 O ATOM 1129 CB GLU A 72 11.625 -1.460 -3.433 1.00 0.00 C ATOM 1130 CG GLU A 72 12.166 -0.032 -3.524 1.00 0.00 C ATOM 1131 CD GLU A 72 11.173 0.970 -2.932 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.083 0.575 -2.491 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.567 2.198 -2.939 1.00 0.00 O ATOM 0 H GLU A 72 10.066 -2.995 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 72 12.385 -1.587 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.538 -1.436 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.000 -1.937 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.116 0.035 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.364 0.220 -4.566 1.00 0.00 H new ATOM 1141 N GLN A 73 12.814 -4.353 -3.699 1.00 0.00 N ATOM 1142 CA GLN A 73 13.796 -5.352 -3.315 1.00 0.00 C ATOM 1143 C GLN A 73 14.705 -5.686 -4.499 1.00 0.00 C ATOM 1144 O GLN A 73 15.900 -5.918 -4.322 1.00 0.00 O ATOM 1145 CB GLN A 73 13.113 -6.611 -2.775 1.00 0.00 C ATOM 1146 CG GLN A 73 13.980 -7.849 -3.013 1.00 0.00 C ATOM 1147 CD GLN A 73 13.489 -9.032 -2.176 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.791 -9.162 -1.001 1.00 0.00 O ATOM 1149 NE2 GLN A 73 12.717 -9.884 -2.844 1.00 0.00 N ATOM 0 H GLN A 73 11.851 -4.586 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 73 14.412 -4.940 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.922 -6.496 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.146 -6.741 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.960 -8.114 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.016 -7.625 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.503 -9.715 -3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.339 -10.706 -2.373 1.00 0.00 H new ATOM 1158 N GLU A 74 14.105 -5.700 -5.680 1.00 0.00 N ATOM 1159 CA GLU A 74 14.846 -6.002 -6.893 1.00 0.00 C ATOM 1160 C GLU A 74 15.197 -4.711 -7.635 1.00 0.00 C ATOM 1161 O GLU A 74 15.304 -4.705 -8.861 1.00 0.00 O ATOM 1162 CB GLU A 74 14.059 -6.956 -7.793 1.00 0.00 C ATOM 1163 CG GLU A 74 14.864 -8.224 -8.085 1.00 0.00 C ATOM 1164 CD GLU A 74 15.140 -8.366 -9.583 1.00 0.00 C ATOM 1165 OE1 GLU A 74 14.288 -8.003 -10.408 1.00 0.00 O ATOM 1166 OE2 GLU A 74 16.288 -8.873 -9.880 1.00 0.00 O ATOM 0 H GLU A 74 13.114 -5.507 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 74 15.774 -6.502 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.117 -7.221 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.809 -6.456 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.807 -8.194 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.317 -9.097 -7.728 1.00 0.00 H new ATOM 1174 N ASN A 75 15.365 -3.649 -6.862 1.00 0.00 N ATOM 1175 CA ASN A 75 15.702 -2.355 -7.431 1.00 0.00 C ATOM 1176 C ASN A 75 16.564 -1.574 -6.437 1.00 0.00 C ATOM 1177 O ASN A 75 17.694 -1.202 -6.749 1.00 0.00 O ATOM 1178 CB ASN A 75 14.442 -1.533 -7.713 1.00 0.00 C ATOM 1179 CG ASN A 75 14.339 -1.178 -9.197 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.327 -1.062 -9.904 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.092 -1.012 -9.629 1.00 0.00 N ATOM 0 H ASN A 75 15.274 -3.658 -5.846 1.00 0.00 H new ATOM 0 HA ASN A 75 16.238 -2.526 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.560 -2.097 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.458 -0.620 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.918 -0.773 -10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.310 -1.124 -8.984 1.00 0.00 H new ATOM 1188 N MET A 76 15.997 -1.348 -5.261 1.00 0.00 N ATOM 1189 CA MET A 76 16.700 -0.618 -4.220 1.00 0.00 C ATOM 1190 C MET A 76 17.494 -1.571 -3.323 1.00 0.00 C ATOM 1191 O MET A 76 17.451 -2.786 -3.510 1.00 0.00 O ATOM 1192 CB MET A 76 15.692 0.160 -3.372 1.00 0.00 C ATOM 1193 CG MET A 76 14.857 1.102 -4.241 1.00 0.00 C ATOM 1194 SD MET A 76 15.922 2.264 -5.079 1.00 0.00 S ATOM 1195 CE MET A 76 15.318 2.089 -6.750 1.00 0.00 C ATOM 0 H MET A 76 15.059 -1.657 -5.006 1.00 0.00 H new ATOM 0 HA MET A 76 17.398 0.072 -4.694 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.036 -0.537 -2.850 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.219 0.734 -2.610 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.287 0.527 -4.971 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.136 1.637 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.510 3.008 -7.304 1.00 0.00 H new ATOM 0 HE2 MET A 76 15.829 1.258 -7.237 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.246 1.894 -6.731 1.00 0.00 H new ATOM 1205 N THR A 77 18.201 -0.983 -2.369 1.00 0.00 N ATOM 1206 CA THR A 77 19.003 -1.763 -1.443 1.00 0.00 C ATOM 1207 C THR A 77 18.152 -2.227 -0.259 1.00 0.00 C ATOM 1208 O THR A 77 16.979 -1.870 -0.155 1.00 0.00 O ATOM 1209 CB THR A 77 20.207 -0.915 -1.029 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.747 -1.604 0.095 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.799 0.449 -0.470 1.00 0.00 C ATOM 0 H THR A 77 18.235 0.025 -2.218 1.00 0.00 H new ATOM 0 HA THR A 77 19.374 -2.674 -1.913 1.00 0.00 H new ATOM 0 HB THR A 77 20.863 -0.773 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.301 -2.351 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.691 1.010 -0.192 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.245 1.002 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.170 0.309 0.409 1.00 0.00 H new ATOM 1219 N LEU A 78 18.775 -3.017 0.603 1.00 0.00 N ATOM 1220 CA LEU A 78 18.089 -3.533 1.776 1.00 0.00 C ATOM 1221 C LEU A 78 17.749 -2.374 2.715 1.00 0.00 C ATOM 1222 O LEU A 78 16.688 -2.365 3.337 1.00 0.00 O ATOM 1223 CB LEU A 78 18.915 -4.638 2.437 1.00 0.00 C ATOM 1224 CG LEU A 78 18.604 -6.068 1.989 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.030 -6.293 0.537 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.237 -7.089 2.937 1.00 0.00 C ATOM 0 H LEU A 78 19.747 -3.312 0.513 1.00 0.00 H new ATOM 0 HA LEU A 78 17.146 -3.999 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.970 -4.440 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.770 -4.577 3.516 1.00 0.00 H new ATOM 0 HG LEU A 78 17.525 -6.213 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.798 -7.317 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.494 -5.600 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.102 -6.123 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.001 -8.097 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.319 -6.954 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.843 -6.945 3.943 1.00 0.00 H new ATOM 1238 N THR A 79 18.670 -1.424 2.787 1.00 0.00 N ATOM 1239 CA THR A 79 18.481 -0.262 3.639 1.00 0.00 C ATOM 1240 C THR A 79 17.186 0.465 3.271 1.00 0.00 C ATOM 1241 O THR A 79 16.354 0.734 4.136 1.00 0.00 O ATOM 1242 CB THR A 79 19.727 0.618 3.521 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.610 0.104 4.515 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.469 2.060 3.962 1.00 0.00 C ATOM 0 H THR A 79 19.549 -1.435 2.269 1.00 0.00 H new ATOM 0 HA THR A 79 18.368 -0.552 4.684 1.00 0.00 H new ATOM 0 HB THR A 79 20.080 0.611 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.445 0.616 4.507 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.385 2.642 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.689 2.497 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.149 2.070 5.004 1.00 0.00 H new ATOM 1252 N GLU A 80 17.057 0.762 1.987 1.00 0.00 N ATOM 1253 CA GLU A 80 15.878 1.453 1.493 1.00 0.00 C ATOM 1254 C GLU A 80 14.618 0.644 1.808 1.00 0.00 C ATOM 1255 O GLU A 80 13.636 1.188 2.312 1.00 0.00 O ATOM 1256 CB GLU A 80 15.991 1.729 -0.007 1.00 0.00 C ATOM 1257 CG GLU A 80 16.096 3.230 -0.282 1.00 0.00 C ATOM 1258 CD GLU A 80 15.901 3.530 -1.770 1.00 0.00 C ATOM 1259 OE1 GLU A 80 16.835 3.353 -2.566 1.00 0.00 O ATOM 1260 OE2 GLU A 80 14.728 3.961 -2.090 1.00 0.00 O ATOM 0 H GLU A 80 17.750 0.537 1.273 1.00 0.00 H new ATOM 0 HA GLU A 80 15.806 2.415 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.867 1.220 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.121 1.321 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.346 3.764 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.071 3.595 0.042 1.00 0.00 H new ATOM 1268 N LEU A 81 14.687 -0.643 1.499 1.00 0.00 N ATOM 1269 CA LEU A 81 13.564 -1.532 1.742 1.00 0.00 C ATOM 1270 C LEU A 81 13.188 -1.477 3.224 1.00 0.00 C ATOM 1271 O LEU A 81 12.008 -1.507 3.570 1.00 0.00 O ATOM 1272 CB LEU A 81 13.880 -2.943 1.240 1.00 0.00 C ATOM 1273 CG LEU A 81 13.750 -3.162 -0.268 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.451 -3.896 -0.605 1.00 0.00 C ATOM 1275 CD2 LEU A 81 13.875 -1.840 -1.028 1.00 0.00 C ATOM 0 H LEU A 81 15.503 -1.091 1.083 1.00 0.00 H new ATOM 0 HA LEU A 81 12.690 -1.206 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.898 -3.194 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.218 -3.645 1.748 1.00 0.00 H new ATOM 0 HG LEU A 81 14.573 -3.798 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.383 -4.039 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.442 -4.867 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.601 -3.306 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.779 -2.025 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.088 -1.159 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.848 -1.393 -0.823 1.00 0.00 H new ATOM 1287 N LYS A 82 14.213 -1.397 4.060 1.00 0.00 N ATOM 1288 CA LYS A 82 14.004 -1.337 5.497 1.00 0.00 C ATOM 1289 C LYS A 82 13.417 0.027 5.866 1.00 0.00 C ATOM 1290 O LYS A 82 12.687 0.147 6.849 1.00 0.00 O ATOM 1291 CB LYS A 82 15.298 -1.671 6.241 1.00 0.00 C ATOM 1292 CG LYS A 82 15.026 -2.601 7.424 1.00 0.00 C ATOM 1293 CD LYS A 82 15.907 -3.850 7.354 1.00 0.00 C ATOM 1294 CE LYS A 82 15.722 -4.722 8.597 1.00 0.00 C ATOM 1295 NZ LYS A 82 17.034 -5.085 9.177 1.00 0.00 N ATOM 0 H LYS A 82 15.191 -1.372 3.770 1.00 0.00 H new ATOM 0 HA LYS A 82 13.281 -2.091 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.003 -2.143 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.765 -0.752 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.214 -2.071 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.976 -2.892 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.659 -4.425 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.953 -3.557 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.126 -4.188 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.171 -5.625 8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.889 -5.677 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.590 -5.613 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.546 -4.220 9.445 1.00 0.00 H new ATOM 1308 N LYS A 83 13.757 1.020 5.058 1.00 0.00 N ATOM 1309 CA LYS A 83 13.273 2.371 5.288 1.00 0.00 C ATOM 1310 C LYS A 83 11.764 2.416 5.041 1.00 0.00 C ATOM 1311 O LYS A 83 11.005 2.872 5.895 1.00 0.00 O ATOM 1312 CB LYS A 83 14.064 3.374 4.445 1.00 0.00 C ATOM 1313 CG LYS A 83 14.488 4.581 5.285 1.00 0.00 C ATOM 1314 CD LYS A 83 13.302 5.509 5.549 1.00 0.00 C ATOM 1315 CE LYS A 83 13.677 6.608 6.546 1.00 0.00 C ATOM 1316 NZ LYS A 83 13.328 7.940 6.003 1.00 0.00 N ATOM 0 H LYS A 83 14.362 0.916 4.243 1.00 0.00 H new ATOM 0 HA LYS A 83 13.436 2.663 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.946 2.888 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.456 3.707 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.906 4.240 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.276 5.130 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.973 5.959 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.463 4.931 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.156 6.445 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.745 6.564 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.589 8.675 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.845 8.099 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.305 7.984 5.821 1.00 0.00 H new ATOM 1329 N VAL A 84 11.373 1.935 3.870 1.00 0.00 N ATOM 1330 CA VAL A 84 9.968 1.915 3.500 1.00 0.00 C ATOM 1331 C VAL A 84 9.213 0.967 4.434 1.00 0.00 C ATOM 1332 O VAL A 84 8.129 1.295 4.914 1.00 0.00 O ATOM 1333 CB VAL A 84 9.821 1.542 2.023 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.763 2.374 1.151 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.054 0.045 1.810 1.00 0.00 C ATOM 0 H VAL A 84 12.005 1.556 3.165 1.00 0.00 H new ATOM 0 HA VAL A 84 9.528 2.905 3.617 1.00 0.00 H new ATOM 0 HB VAL A 84 8.799 1.768 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.638 2.089 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.529 3.432 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.794 2.195 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.944 -0.194 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.060 -0.217 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.325 -0.523 2.388 1.00 0.00 H new ATOM 1345 N ILE A 85 9.816 -0.190 4.664 1.00 0.00 N ATOM 1346 CA ILE A 85 9.214 -1.188 5.532 1.00 0.00 C ATOM 1347 C ILE A 85 8.944 -0.568 6.904 1.00 0.00 C ATOM 1348 O ILE A 85 7.897 -0.810 7.504 1.00 0.00 O ATOM 1349 CB ILE A 85 10.085 -2.445 5.587 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.935 -3.272 4.308 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.780 -3.269 6.840 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.769 -4.256 4.424 1.00 0.00 C ATOM 0 H ILE A 85 10.715 -0.459 4.264 1.00 0.00 H new ATOM 0 HA ILE A 85 8.253 -1.510 5.132 1.00 0.00 H new ATOM 0 HB ILE A 85 11.128 -2.135 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.772 -2.608 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.858 -3.818 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.412 -4.157 6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.978 -2.668 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.732 -3.570 6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.685 -4.831 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.947 -4.934 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.844 -3.705 4.594 1.00 0.00 H new ATOM 1364 N ALA A 86 9.905 0.221 7.362 1.00 0.00 N ATOM 1365 CA ALA A 86 9.783 0.878 8.652 1.00 0.00 C ATOM 1366 C ALA A 86 8.739 1.992 8.556 1.00 0.00 C ATOM 1367 O ALA A 86 8.075 2.312 9.540 1.00 0.00 O ATOM 1368 CB ALA A 86 11.153 1.400 9.091 1.00 0.00 C ATOM 0 H ALA A 86 10.772 0.420 6.862 1.00 0.00 H new ATOM 0 HA ALA A 86 9.444 0.173 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.061 1.893 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.851 0.567 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.524 2.113 8.354 1.00 0.00 H new ATOM 1374 N ASP A 87 8.626 2.553 7.360 1.00 0.00 N ATOM 1375 CA ASP A 87 7.674 3.624 7.123 1.00 0.00 C ATOM 1376 C ASP A 87 6.266 3.035 7.020 1.00 0.00 C ATOM 1377 O ASP A 87 5.282 3.717 7.303 1.00 0.00 O ATOM 1378 CB ASP A 87 7.979 4.351 5.812 1.00 0.00 C ATOM 1379 CG ASP A 87 8.101 5.872 5.929 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.100 6.580 6.117 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.300 6.333 5.818 1.00 0.00 O ATOM 0 H ASP A 87 9.178 2.285 6.545 1.00 0.00 H new ATOM 0 HA ASP A 87 7.745 4.329 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.910 3.957 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.193 4.119 5.094 1.00 0.00 H new ATOM 1387 N ILE A 88 6.214 1.775 6.614 1.00 0.00 N ATOM 1388 CA ILE A 88 4.942 1.087 6.470 1.00 0.00 C ATOM 1389 C ILE A 88 4.619 0.346 7.769 1.00 0.00 C ATOM 1390 O ILE A 88 3.577 0.581 8.379 1.00 0.00 O ATOM 1391 CB ILE A 88 4.958 0.184 5.234 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.603 0.202 4.525 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.396 -1.236 5.598 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.770 0.004 3.017 1.00 0.00 C ATOM 0 H ILE A 88 7.032 1.212 6.380 1.00 0.00 H new ATOM 0 HA ILE A 88 4.138 1.803 6.302 1.00 0.00 H new ATOM 0 HB ILE A 88 5.694 0.578 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.966 -0.584 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.101 1.150 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.399 -1.857 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.399 -1.209 6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.703 -1.655 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.791 0.021 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.387 0.805 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.251 -0.956 2.827 1.00 0.00 H new ATOM 1406 N TYR A 89 5.532 -0.534 8.153 1.00 0.00 N ATOM 1407 CA TYR A 89 5.356 -1.312 9.369 1.00 0.00 C ATOM 1408 C TYR A 89 6.243 -2.559 9.354 1.00 0.00 C ATOM 1409 O TYR A 89 6.721 -2.973 8.299 1.00 0.00 O ATOM 1410 CB TYR A 89 3.889 -1.744 9.385 1.00 0.00 C ATOM 1411 CG TYR A 89 3.401 -2.342 8.064 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.974 -3.499 7.577 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.389 -1.724 7.359 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.515 -4.062 6.334 1.00 0.00 C ATOM 1415 CE2 TYR A 89 1.930 -2.287 6.115 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.516 -3.428 5.664 1.00 0.00 C ATOM 1417 OH TYR A 89 2.083 -3.960 4.490 1.00 0.00 O ATOM 0 H TYR A 89 6.395 -0.726 7.645 1.00 0.00 H new ATOM 0 HA TYR A 89 5.627 -0.723 10.245 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.746 -2.477 10.179 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.270 -0.882 9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.767 -3.982 8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.941 -0.818 7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.954 -4.968 5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.138 -1.814 5.553 1.00 0.00 H new ATOM 0 HH TYR A 89 2.592 -4.774 4.292 1.00 0.00 H new ATOM 1427 N PRO A 90 6.440 -3.137 10.569 1.00 0.00 N ATOM 1428 CA PRO A 90 7.261 -4.328 10.706 1.00 0.00 C ATOM 1429 C PRO A 90 6.519 -5.567 10.199 1.00 0.00 C ATOM 1430 O PRO A 90 6.600 -5.903 9.019 1.00 0.00 O ATOM 1431 CB PRO A 90 7.600 -4.404 12.186 1.00 0.00 C ATOM 1432 CG PRO A 90 6.583 -3.524 12.893 1.00 0.00 C ATOM 1433 CD PRO A 90 5.890 -2.674 11.840 1.00 0.00 C ATOM 0 HA PRO A 90 8.169 -4.284 10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.545 -5.431 12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.615 -4.054 12.372 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.857 -4.135 13.429 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.074 -2.891 13.632 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.808 -2.805 11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.088 -1.613 11.994 1.00 0.00 H new ATOM 1441 N GLY A 91 5.812 -6.211 11.116 1.00 0.00 N ATOM 1442 CA GLY A 91 5.056 -7.404 10.777 1.00 0.00 C ATOM 1443 C GLY A 91 5.760 -8.205 9.679 1.00 0.00 C ATOM 1444 O GLY A 91 5.539 -7.966 8.493 1.00 0.00 O ATOM 0 H GLY A 91 5.747 -5.929 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.933 -8.026 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.057 -7.123 10.444 1.00 0.00 H new ATOM 1448 N GLN A 92 6.593 -9.139 10.114 1.00 0.00 N ATOM 1449 CA GLN A 92 7.330 -9.976 9.183 1.00 0.00 C ATOM 1450 C GLN A 92 6.667 -11.350 9.064 1.00 0.00 C ATOM 1451 O GLN A 92 7.335 -12.377 9.172 1.00 0.00 O ATOM 1452 CB GLN A 92 8.795 -10.109 9.606 1.00 0.00 C ATOM 1453 CG GLN A 92 9.733 -9.661 8.484 1.00 0.00 C ATOM 1454 CD GLN A 92 10.967 -10.562 8.408 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.878 -11.778 8.375 1.00 0.00 O ATOM 1456 NE2 GLN A 92 12.120 -9.899 8.383 1.00 0.00 N ATOM 0 H GLN A 92 6.774 -9.334 11.099 1.00 0.00 H new ATOM 0 HA GLN A 92 7.311 -9.499 8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.976 -9.508 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.008 -11.145 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.203 -9.683 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.041 -8.629 8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.123 -8.879 8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.001 -10.410 8.333 1.00 0.00 H new ATOM 1465 N THR A 93 5.360 -11.323 8.844 1.00 0.00 N ATOM 1466 CA THR A 93 4.599 -12.554 8.710 1.00 0.00 C ATOM 1467 C THR A 93 3.395 -12.338 7.791 1.00 0.00 C ATOM 1468 O THR A 93 2.881 -11.226 7.686 1.00 0.00 O ATOM 1469 CB THR A 93 4.215 -13.028 10.113 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.193 -12.122 10.518 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.335 -12.807 11.132 1.00 0.00 C ATOM 0 H THR A 93 4.809 -10.469 8.755 1.00 0.00 H new ATOM 0 HA THR A 93 5.193 -13.337 8.238 1.00 0.00 H new ATOM 0 HB THR A 93 3.957 -14.087 10.081 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.885 -12.358 11.418 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.011 -13.160 12.111 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.223 -13.359 10.822 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.570 -11.744 11.189 1.00 0.00 H new ATOM 1479 N GLN A 94 2.980 -13.420 7.148 1.00 0.00 N ATOM 1480 CA GLN A 94 1.846 -13.363 6.242 1.00 0.00 C ATOM 1481 C GLN A 94 0.789 -12.394 6.774 1.00 0.00 C ATOM 1482 O GLN A 94 0.661 -12.213 7.984 1.00 0.00 O ATOM 1483 CB GLN A 94 1.252 -14.755 6.019 1.00 0.00 C ATOM 1484 CG GLN A 94 0.748 -14.913 4.583 1.00 0.00 C ATOM 1485 CD GLN A 94 -0.447 -15.867 4.523 1.00 0.00 C ATOM 1486 OE1 GLN A 94 -1.597 -15.465 4.577 1.00 0.00 O ATOM 1487 NE2 GLN A 94 -0.110 -17.148 4.408 1.00 0.00 N ATOM 0 H GLN A 94 3.409 -14.341 7.237 1.00 0.00 H new ATOM 0 HA GLN A 94 2.195 -12.994 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.006 -15.514 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.431 -14.920 6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.461 -13.940 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.552 -15.291 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.874 -17.415 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.835 -17.864 4.359 1.00 0.00 H new ATOM 1496 N PHE A 95 0.057 -11.797 5.845 1.00 0.00 N ATOM 1497 CA PHE A 95 -0.985 -10.852 6.206 1.00 0.00 C ATOM 1498 C PHE A 95 -2.002 -10.698 5.073 1.00 0.00 C ATOM 1499 O PHE A 95 -1.889 -11.355 4.039 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.302 -9.504 6.448 1.00 0.00 C ATOM 1501 CG PHE A 95 0.181 -9.301 7.886 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -0.713 -9.311 8.911 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.503 -9.110 8.138 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -0.264 -9.122 10.245 1.00 0.00 C ATOM 1505 CE2 PHE A 95 1.952 -8.922 9.472 1.00 0.00 C ATOM 1506 CZ PHE A 95 1.058 -8.932 10.497 1.00 0.00 C ATOM 0 H PHE A 95 0.165 -11.950 4.842 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.516 -11.204 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.549 -9.413 5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.998 -8.705 6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.763 -9.463 8.711 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.212 -9.101 7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.973 -9.129 11.059 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.002 -8.771 9.673 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.399 -8.789 11.512 1.00 0.00 H new ATOM 1516 N TYR A 96 -2.974 -9.828 5.307 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.010 -9.580 4.319 1.00 0.00 C ATOM 1518 C TYR A 96 -3.503 -8.653 3.213 1.00 0.00 C ATOM 1519 O TYR A 96 -2.652 -7.798 3.456 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.149 -8.885 5.068 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.446 -9.695 5.119 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.480 -10.900 5.791 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.581 -9.220 4.495 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.701 -11.662 5.839 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.801 -9.982 4.543 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.801 -11.166 5.213 1.00 0.00 C ATOM 1527 OH TYR A 96 -9.954 -11.886 5.259 1.00 0.00 O ATOM 0 H TYR A 96 -3.066 -9.286 6.166 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.325 -10.513 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.824 -8.674 6.087 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.351 -7.925 4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.592 -11.271 6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.554 -8.276 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.742 -12.607 6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.696 -9.622 4.058 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.657 -11.409 4.770 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.046 -8.854 2.021 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.659 -8.046 0.877 1.00 0.00 C ATOM 1539 C VAL A 97 -4.911 -7.647 0.093 1.00 0.00 C ATOM 1540 O VAL A 97 -5.743 -8.494 -0.228 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.636 -8.802 0.025 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.341 -8.049 -1.274 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.351 -9.060 0.814 1.00 0.00 C ATOM 0 H VAL A 97 -4.751 -9.564 1.823 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.174 -7.127 1.205 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.067 -9.768 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.611 -8.607 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.261 -7.940 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.940 -7.063 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.641 -9.598 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.916 -8.109 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.580 -9.657 1.697 1.00 0.00 H new ATOM 1553 N ILE A 98 -5.005 -6.357 -0.193 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.141 -5.835 -0.933 1.00 0.00 C ATOM 1555 C ILE A 98 -5.640 -5.113 -2.185 1.00 0.00 C ATOM 1556 O ILE A 98 -4.783 -4.234 -2.099 1.00 0.00 O ATOM 1557 CB ILE A 98 -7.015 -4.965 -0.029 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.041 -5.511 1.400 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.423 -4.812 -0.609 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.715 -6.883 1.451 1.00 0.00 C ATOM 0 H ILE A 98 -4.313 -5.657 0.075 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.783 -6.649 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.574 -3.969 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.023 -5.588 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.574 -4.816 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.024 -4.189 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.363 -4.344 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.887 -5.794 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.720 -7.248 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.740 -6.798 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.166 -7.582 0.820 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.197 -5.509 -3.321 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.817 -4.909 -4.589 1.00 0.00 C ATOM 1574 C GLU A 99 -6.795 -3.794 -4.963 1.00 0.00 C ATOM 1575 O GLU A 99 -7.981 -3.871 -4.645 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.742 -5.966 -5.694 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.648 -5.622 -6.707 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.348 -6.816 -7.616 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.569 -7.969 -7.217 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -3.869 -6.512 -8.774 1.00 0.00 O ATOM 0 H GLU A 99 -6.908 -6.237 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.824 -4.473 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.542 -6.943 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.704 -6.036 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.961 -4.770 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.741 -5.324 -6.181 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.262 -2.782 -5.632 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.073 -1.653 -6.052 1.00 0.00 C ATOM 1590 C PHE A 100 -6.551 -1.061 -7.364 1.00 0.00 C ATOM 1591 O PHE A 100 -5.430 -1.351 -7.777 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.970 -0.594 -4.952 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.671 0.214 -4.987 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.480 1.153 -5.953 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.709 -0.005 -4.051 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -4.275 1.903 -5.984 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.504 0.745 -4.083 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.312 1.684 -5.049 1.00 0.00 C ATOM 0 H PHE A 100 -5.278 -2.721 -5.893 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.102 -1.974 -6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.814 0.090 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.056 -1.083 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -6.244 1.328 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.862 -0.749 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.123 2.648 -6.751 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.739 0.570 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.396 2.255 -5.073 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.390 -0.242 -7.981 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.028 0.393 -9.237 1.00 0.00 C ATOM 1610 C LYS A 101 -7.333 1.890 -9.153 1.00 0.00 C ATOM 1611 O LYS A 101 -8.192 2.310 -8.379 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.714 -0.309 -10.410 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.209 0.015 -10.444 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.752 -0.050 -11.874 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.963 0.869 -12.043 1.00 0.00 C ATOM 1616 NZ LYS A 101 -12.183 0.222 -11.508 1.00 0.00 N ATOM 0 H LYS A 101 -8.319 -0.003 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.958 0.295 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.250 0.001 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.574 -1.387 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.752 -0.689 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.379 1.010 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.971 0.239 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.033 -1.075 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.787 1.812 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.103 1.106 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.996 0.859 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.358 -0.666 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.053 0.018 -10.497 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.611 2.654 -9.959 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.794 4.096 -9.986 1.00 0.00 C ATOM 1631 C CYS A 102 -7.826 4.429 -11.064 1.00 0.00 C ATOM 1632 O CYS A 102 -7.525 4.376 -12.256 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.471 4.829 -10.217 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.791 6.586 -10.617 1.00 0.00 S ATOM 0 H CYS A 102 -5.898 2.302 -10.598 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.159 4.437 -9.017 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.846 4.758 -9.327 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.921 4.356 -11.031 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.661 7.200 -10.809 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.024 4.766 -10.608 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.103 5.108 -11.518 1.00 0.00 C ATOM 1642 C LEU A 103 -10.127 4.105 -12.674 1.00 0.00 C ATOM 1643 O LEU A 103 -9.647 4.401 -13.767 1.00 0.00 O ATOM 1644 CB LEU A 103 -9.981 6.565 -11.971 1.00 0.00 C ATOM 1645 CG LEU A 103 -9.733 7.592 -10.864 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -8.908 8.770 -11.385 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.051 8.048 -10.235 1.00 0.00 C ATOM 0 H LEU A 103 -9.271 4.809 -9.619 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.065 5.035 -11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.167 6.634 -12.692 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.896 6.840 -12.496 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.150 7.114 -10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.746 9.485 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.946 8.408 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.443 9.257 -12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.847 8.778 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.681 8.503 -10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.566 7.189 -9.805 1.00 0.00 H new