USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0.68 K(o=1.8,f=-2.6) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.0315 K(o=-0.052,f=-2) USER MOD Set 2.2: A 62 THR OG1 : rot -170:sc= -0.0838 USER MOD Single : A 5 THR OG1 : rot -41:sc= 0.0969 USER MOD Single : A 8 GLN : amide:sc= -0.0886 X(o=-0.089,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0892) USER MOD Single : A 17 SER OG : rot 74:sc= 0.0165 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00916 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 68:sc= 0.281 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 69:sc= 1.09 USER MOD Single : A 41 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.2!) USER MOD Single : A 42 ASN : amide:sc= 0.185 K(o=0.18,f=-1.8) USER MOD Single : A 44 THR OG1 : rot -150:sc= -0.736 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 71 MET CE :methyl 179:sc= 0 (180deg=-0.0169) USER MOD Single : A 72 MET CE :methyl -172:sc= -0.0229 (180deg=-0.105) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -58:sc= 0.816 USER MOD Single : A 109 MET CE :methyl -140:sc= 0 (180deg=-0.311) USER MOD Single : A 110 THR OG1 : rot 10:sc= 0.503 USER MOD Single : A 111 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.3!) USER MOD Single : A 115 LYS NZ :NH3+ -167:sc=-0.00853 (180deg=-0.265) USER MOD Single : A 117 THR OG1 : rot -94:sc= 1.31 USER MOD Single : A 124 MET CE :methyl -178:sc= 0 (180deg=-0.0356) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 137 ASN : amide:sc= -0.214! C(o=-0.21!,f=-3.2!) USER MOD Single : A 138 TYR OH : rot 15:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= -0.0219 (180deg=-0.0219) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.517 16.584 1.990 1.00 0.00 N ATOM 59 CA THR A 5 -12.962 17.584 1.069 1.00 0.00 C ATOM 60 C THR A 5 -14.056 17.040 0.216 1.00 0.00 C ATOM 61 O THR A 5 -14.295 15.852 0.008 1.00 0.00 O ATOM 62 CB THR A 5 -11.877 18.106 0.175 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.362 17.002 -0.555 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.698 18.758 0.915 1.00 0.00 C ATOM 0 HA THR A 5 -13.311 18.417 1.679 1.00 0.00 H new ATOM 0 HB THR A 5 -12.325 18.880 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.279 16.227 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.962 19.106 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.059 19.603 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.236 18.027 1.579 1.00 0.00 H new ATOM 72 N GLU A 6 -14.953 17.966 -0.167 1.00 0.00 N ATOM 73 CA GLU A 6 -16.110 17.607 -0.926 1.00 0.00 C ATOM 74 C GLU A 6 -15.895 16.948 -2.245 1.00 0.00 C ATOM 75 O GLU A 6 -16.707 16.141 -2.695 1.00 0.00 O ATOM 76 CB GLU A 6 -17.043 18.825 -1.033 1.00 0.00 C ATOM 77 CG GLU A 6 -18.546 18.544 -1.092 1.00 0.00 C ATOM 78 CD GLU A 6 -19.362 19.822 -0.961 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.854 20.969 -1.075 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.608 19.671 -0.849 1.00 0.00 O ATOM 0 H GLU A 6 -14.878 18.960 0.048 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.575 16.802 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.853 19.474 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.768 19.386 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.788 18.053 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.819 17.854 -0.293 1.00 0.00 H new ATOM 87 N GLU A 7 -14.686 17.089 -2.819 1.00 0.00 N ATOM 88 CA GLU A 7 -14.268 16.368 -3.981 1.00 0.00 C ATOM 89 C GLU A 7 -14.120 14.900 -3.780 1.00 0.00 C ATOM 90 O GLU A 7 -14.635 14.055 -4.511 1.00 0.00 O ATOM 91 CB GLU A 7 -12.861 16.845 -4.378 1.00 0.00 C ATOM 92 CG GLU A 7 -12.335 16.416 -5.749 1.00 0.00 C ATOM 93 CD GLU A 7 -10.956 16.935 -6.131 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.340 17.782 -5.431 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.507 16.521 -7.233 1.00 0.00 O ATOM 0 H GLU A 7 -13.975 17.727 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.045 16.553 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.851 17.934 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.159 16.492 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.313 15.327 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.047 16.743 -6.507 1.00 0.00 H new ATOM 102 N GLN A 8 -13.501 14.588 -2.627 1.00 0.00 N ATOM 103 CA GLN A 8 -13.337 13.219 -2.250 1.00 0.00 C ATOM 104 C GLN A 8 -14.627 12.637 -1.783 1.00 0.00 C ATOM 105 O GLN A 8 -14.985 11.531 -2.185 1.00 0.00 O ATOM 106 CB GLN A 8 -12.378 12.968 -1.074 1.00 0.00 C ATOM 107 CG GLN A 8 -10.958 13.506 -1.265 1.00 0.00 C ATOM 108 CD GLN A 8 -10.360 12.746 -2.439 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.445 13.035 -3.632 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.581 11.660 -2.188 1.00 0.00 N ATOM 0 H GLN A 8 -13.121 15.268 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.939 12.768 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.803 13.419 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.322 11.894 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.973 14.578 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.363 13.358 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.447 11.339 -1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.131 11.166 -2.959 1.00 0.00 H new ATOM 119 N ILE A 9 -15.503 13.389 -1.094 1.00 0.00 N ATOM 120 CA ILE A 9 -16.811 12.886 -0.809 1.00 0.00 C ATOM 121 C ILE A 9 -17.656 12.624 -2.008 1.00 0.00 C ATOM 122 O ILE A 9 -18.264 11.565 -2.162 1.00 0.00 O ATOM 123 CB ILE A 9 -17.487 13.786 0.182 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.601 14.003 1.421 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.795 13.123 0.646 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.167 15.050 2.379 1.00 0.00 C ATOM 0 H ILE A 9 -15.312 14.326 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.679 11.896 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.677 14.746 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.487 13.057 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.606 14.311 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.295 13.770 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.447 12.965 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.571 12.164 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.499 15.160 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.256 16.006 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.150 14.732 2.725 1.00 0.00 H new ATOM 138 N ALA A 10 -17.746 13.551 -2.978 1.00 0.00 N ATOM 139 CA ALA A 10 -18.497 13.455 -4.191 1.00 0.00 C ATOM 140 C ALA A 10 -18.075 12.294 -5.024 1.00 0.00 C ATOM 141 O ALA A 10 -18.926 11.607 -5.587 1.00 0.00 O ATOM 142 CB ALA A 10 -18.265 14.771 -4.953 1.00 0.00 C ATOM 0 H ALA A 10 -17.252 14.441 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.551 13.297 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.819 14.750 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.610 15.608 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.202 14.888 -5.162 1.00 0.00 H new ATOM 148 N GLU A 11 -16.748 12.123 -5.161 1.00 0.00 N ATOM 149 CA GLU A 11 -16.223 11.027 -5.915 1.00 0.00 C ATOM 150 C GLU A 11 -16.603 9.692 -5.374 1.00 0.00 C ATOM 151 O GLU A 11 -17.029 8.754 -6.047 1.00 0.00 O ATOM 152 CB GLU A 11 -14.699 11.089 -6.113 1.00 0.00 C ATOM 153 CG GLU A 11 -14.133 10.310 -7.302 1.00 0.00 C ATOM 154 CD GLU A 11 -14.501 10.722 -8.721 1.00 0.00 C ATOM 155 OE1 GLU A 11 -15.684 10.835 -9.139 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.538 11.052 -9.463 1.00 0.00 O ATOM 0 H GLU A 11 -16.044 12.738 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.695 11.142 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.411 12.135 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.222 10.720 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.046 10.344 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.429 9.268 -7.179 1.00 0.00 H new ATOM 163 N PHE A 12 -16.481 9.575 -4.040 1.00 0.00 N ATOM 164 CA PHE A 12 -16.811 8.420 -3.265 1.00 0.00 C ATOM 165 C PHE A 12 -18.249 8.028 -3.248 1.00 0.00 C ATOM 166 O PHE A 12 -18.632 6.864 -3.147 1.00 0.00 O ATOM 167 CB PHE A 12 -16.299 8.509 -1.818 1.00 0.00 C ATOM 168 CG PHE A 12 -14.830 8.614 -1.591 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.918 8.515 -2.615 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.389 9.009 -0.350 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.607 8.880 -2.414 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.055 9.232 -0.103 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.155 9.105 -1.135 1.00 0.00 C ATOM 0 H PHE A 12 -16.128 10.340 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.286 7.630 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.770 9.375 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.655 7.627 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.232 8.149 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.105 9.147 0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.938 8.989 -3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.719 9.503 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.095 9.182 -0.941 1.00 0.00 H new ATOM 183 N LYS A 13 -19.031 9.114 -3.118 1.00 0.00 N ATOM 184 CA LYS A 13 -20.459 9.039 -3.148 1.00 0.00 C ATOM 185 C LYS A 13 -21.033 8.646 -4.466 1.00 0.00 C ATOM 186 O LYS A 13 -21.913 7.791 -4.552 1.00 0.00 O ATOM 187 CB LYS A 13 -21.124 10.367 -2.747 1.00 0.00 C ATOM 188 CG LYS A 13 -22.644 10.360 -2.577 1.00 0.00 C ATOM 189 CD LYS A 13 -23.014 11.118 -1.300 1.00 0.00 C ATOM 190 CE LYS A 13 -24.499 11.096 -0.933 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.291 11.628 -2.065 1.00 0.00 N ATOM 0 H LYS A 13 -18.667 10.058 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.677 8.255 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.680 10.698 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.871 11.113 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.120 10.825 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.011 9.335 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.445 10.698 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.699 12.156 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.813 10.078 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.673 11.695 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.279 11.758 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.897 12.543 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.254 10.958 -2.860 1.00 0.00 H new ATOM 205 N GLU A 14 -20.597 9.202 -5.610 1.00 0.00 N ATOM 206 CA GLU A 14 -20.748 8.677 -6.932 1.00 0.00 C ATOM 207 C GLU A 14 -20.361 7.249 -7.108 1.00 0.00 C ATOM 208 O GLU A 14 -21.114 6.417 -7.611 1.00 0.00 O ATOM 209 CB GLU A 14 -20.008 9.570 -7.942 1.00 0.00 C ATOM 210 CG GLU A 14 -20.756 10.863 -8.274 1.00 0.00 C ATOM 211 CD GLU A 14 -22.106 10.630 -8.937 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.216 10.264 -10.138 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.121 10.718 -8.196 1.00 0.00 O ATOM 0 H GLU A 14 -20.098 10.092 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.821 8.691 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.025 9.820 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.845 9.008 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.904 11.433 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.137 11.473 -8.932 1.00 0.00 H new ATOM 220 N ALA A 15 -19.208 6.922 -6.497 1.00 0.00 N ATOM 221 CA ALA A 15 -18.707 5.583 -6.477 1.00 0.00 C ATOM 222 C ALA A 15 -19.621 4.623 -5.796 1.00 0.00 C ATOM 223 O ALA A 15 -19.993 3.638 -6.431 1.00 0.00 O ATOM 224 CB ALA A 15 -17.228 5.570 -6.055 1.00 0.00 C ATOM 0 H ALA A 15 -18.616 7.595 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.704 5.182 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.862 4.543 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.643 6.157 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.130 6.000 -5.058 1.00 0.00 H new ATOM 230 N PHE A 16 -20.171 4.874 -4.594 1.00 0.00 N ATOM 231 CA PHE A 16 -21.203 4.109 -3.966 1.00 0.00 C ATOM 232 C PHE A 16 -22.296 3.662 -4.875 1.00 0.00 C ATOM 233 O PHE A 16 -22.606 2.482 -5.033 1.00 0.00 O ATOM 234 CB PHE A 16 -21.770 4.900 -2.776 1.00 0.00 C ATOM 235 CG PHE A 16 -22.237 3.956 -1.722 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.415 3.449 -0.744 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.553 3.566 -1.802 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.923 2.536 0.150 1.00 0.00 C ATOM 239 CE2 PHE A 16 -24.009 2.511 -1.048 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.221 2.107 0.004 1.00 0.00 C ATOM 0 H PHE A 16 -19.874 5.665 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.734 3.185 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -21.006 5.563 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.596 5.529 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.384 3.764 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.231 4.090 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.310 2.161 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.945 2.021 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.635 1.432 0.738 1.00 0.00 H new ATOM 250 N SER A 17 -22.836 4.660 -5.598 1.00 0.00 N ATOM 251 CA SER A 17 -23.906 4.551 -6.541 1.00 0.00 C ATOM 252 C SER A 17 -23.713 3.702 -7.751 1.00 0.00 C ATOM 253 O SER A 17 -24.638 3.119 -8.315 1.00 0.00 O ATOM 254 CB SER A 17 -24.357 5.923 -7.069 1.00 0.00 C ATOM 255 OG SER A 17 -24.718 6.773 -5.991 1.00 0.00 O ATOM 0 H SER A 17 -22.496 5.618 -5.515 1.00 0.00 H new ATOM 0 HA SER A 17 -24.643 4.048 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.554 6.379 -7.647 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.205 5.800 -7.743 1.00 0.00 H new ATOM 0 HG SER A 17 -23.909 7.079 -5.531 1.00 0.00 H new ATOM 261 N LEU A 18 -22.468 3.590 -8.246 1.00 0.00 N ATOM 262 CA LEU A 18 -22.052 2.612 -9.203 1.00 0.00 C ATOM 263 C LEU A 18 -21.871 1.248 -8.631 1.00 0.00 C ATOM 264 O LEU A 18 -22.100 0.227 -9.277 1.00 0.00 O ATOM 265 CB LEU A 18 -20.704 3.062 -9.790 1.00 0.00 C ATOM 266 CG LEU A 18 -20.746 4.456 -10.438 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.345 5.044 -10.681 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.536 4.496 -11.756 1.00 0.00 C ATOM 0 H LEU A 18 -21.712 4.214 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.841 2.544 -9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.955 3.062 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.381 2.335 -10.535 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.269 5.071 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.438 6.028 -11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.819 5.135 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.784 4.386 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.524 5.510 -12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.079 3.816 -12.475 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.566 4.191 -11.572 1.00 0.00 H new ATOM 280 N PHE A 19 -21.543 1.140 -7.331 1.00 0.00 N ATOM 281 CA PHE A 19 -21.188 -0.160 -6.852 1.00 0.00 C ATOM 282 C PHE A 19 -22.310 -0.868 -6.175 1.00 0.00 C ATOM 283 O PHE A 19 -22.524 -2.055 -6.417 1.00 0.00 O ATOM 284 CB PHE A 19 -20.045 -0.114 -5.824 1.00 0.00 C ATOM 285 CG PHE A 19 -18.838 0.274 -6.608 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.364 -0.520 -7.625 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.124 1.407 -6.300 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.195 -0.216 -8.283 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.910 1.688 -6.881 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.461 0.883 -7.901 1.00 0.00 C ATOM 0 H PHE A 19 -21.522 1.898 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.892 -0.692 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.252 0.609 -5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.908 -1.082 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.920 -1.400 -7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.530 2.100 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.854 -0.838 -9.097 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.320 2.526 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.532 1.113 -8.402 1.00 0.00 H new ATOM 300 N ASP A 20 -23.163 -0.199 -5.379 1.00 0.00 N ATOM 301 CA ASP A 20 -24.433 -0.706 -4.960 1.00 0.00 C ATOM 302 C ASP A 20 -25.337 -1.158 -6.054 1.00 0.00 C ATOM 303 O ASP A 20 -25.718 -0.344 -6.895 1.00 0.00 O ATOM 304 CB ASP A 20 -25.093 0.372 -4.085 1.00 0.00 C ATOM 305 CG ASP A 20 -26.127 -0.246 -3.154 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.370 -1.482 -3.114 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.701 0.630 -2.454 1.00 0.00 O ATOM 0 H ASP A 20 -22.960 0.731 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.252 -1.624 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.332 0.888 -3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.569 1.120 -4.719 1.00 0.00 H new ATOM 312 N LYS A 21 -25.730 -2.436 -6.200 1.00 0.00 N ATOM 313 CA LYS A 21 -26.334 -3.031 -7.351 1.00 0.00 C ATOM 314 C LYS A 21 -27.753 -2.592 -7.467 1.00 0.00 C ATOM 315 O LYS A 21 -28.195 -2.018 -8.461 1.00 0.00 O ATOM 316 CB LYS A 21 -26.248 -4.566 -7.393 1.00 0.00 C ATOM 317 CG LYS A 21 -26.989 -5.281 -8.525 1.00 0.00 C ATOM 318 CD LYS A 21 -26.682 -4.874 -9.968 1.00 0.00 C ATOM 319 CE LYS A 21 -25.343 -5.263 -10.599 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.356 -5.108 -12.071 1.00 0.00 N ATOM 0 H LYS A 21 -25.614 -3.111 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.755 -2.680 -8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.195 -4.843 -7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.627 -4.951 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.788 -6.348 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -28.058 -5.143 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.470 -5.287 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.765 -3.789 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.551 -4.645 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.110 -6.297 -10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.430 -5.382 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.095 -5.717 -12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.552 -4.116 -12.314 1.00 0.00 H new ATOM 334 N ASP A 22 -28.614 -2.986 -6.511 1.00 0.00 N ATOM 335 CA ASP A 22 -29.993 -2.659 -6.317 1.00 0.00 C ATOM 336 C ASP A 22 -30.141 -1.200 -6.053 1.00 0.00 C ATOM 337 O ASP A 22 -30.817 -0.520 -6.823 1.00 0.00 O ATOM 338 CB ASP A 22 -30.682 -3.545 -5.266 1.00 0.00 C ATOM 339 CG ASP A 22 -29.881 -4.026 -4.065 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.871 -3.375 -3.684 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.286 -5.060 -3.470 1.00 0.00 O ATOM 0 H ASP A 22 -28.294 -3.619 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.525 -2.881 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.544 -2.996 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.066 -4.426 -5.780 1.00 0.00 H new ATOM 346 N GLY A 23 -29.448 -0.680 -5.024 1.00 0.00 N ATOM 347 CA GLY A 23 -29.514 0.708 -4.685 1.00 0.00 C ATOM 348 C GLY A 23 -30.281 0.939 -3.428 1.00 0.00 C ATOM 349 O GLY A 23 -31.186 1.772 -3.409 1.00 0.00 O ATOM 0 H GLY A 23 -28.835 -1.228 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.504 1.102 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.981 1.259 -5.501 1.00 0.00 H new ATOM 353 N ASP A 24 -30.002 0.228 -2.321 1.00 0.00 N ATOM 354 CA ASP A 24 -30.700 0.290 -1.075 1.00 0.00 C ATOM 355 C ASP A 24 -29.977 1.207 -0.149 1.00 0.00 C ATOM 356 O ASP A 24 -30.614 1.864 0.672 1.00 0.00 O ATOM 357 CB ASP A 24 -30.805 -1.124 -0.478 1.00 0.00 C ATOM 358 CG ASP A 24 -29.451 -1.679 -0.060 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.653 -1.943 -0.998 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.180 -1.891 1.152 1.00 0.00 O ATOM 0 H ASP A 24 -29.231 -0.439 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.708 0.676 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.468 -1.102 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.258 -1.792 -1.210 1.00 0.00 H new ATOM 365 N GLY A 25 -28.635 1.260 -0.227 1.00 0.00 N ATOM 366 CA GLY A 25 -27.799 2.034 0.637 1.00 0.00 C ATOM 367 C GLY A 25 -26.590 1.285 1.082 1.00 0.00 C ATOM 368 O GLY A 25 -25.871 1.919 1.851 1.00 0.00 O ATOM 0 H GLY A 25 -28.108 0.738 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.490 2.942 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.373 2.344 1.511 1.00 0.00 H new ATOM 372 N THR A 26 -26.357 0.025 0.671 1.00 0.00 N ATOM 373 CA THR A 26 -25.409 -0.738 1.422 1.00 0.00 C ATOM 374 C THR A 26 -24.787 -1.769 0.544 1.00 0.00 C ATOM 375 O THR A 26 -25.479 -2.181 -0.385 1.00 0.00 O ATOM 376 CB THR A 26 -26.000 -1.439 2.609 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.372 -1.167 2.849 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.224 -0.822 3.785 1.00 0.00 C ATOM 0 H THR A 26 -26.791 -0.441 -0.126 1.00 0.00 H new ATOM 0 HA THR A 26 -24.676 -0.021 1.792 1.00 0.00 H new ATOM 0 HB THR A 26 -25.931 -2.517 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.910 -1.524 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.572 -1.261 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.160 -1.023 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.390 0.255 3.805 1.00 0.00 H new ATOM 386 N ILE A 27 -23.514 -2.156 0.742 1.00 0.00 N ATOM 387 CA ILE A 27 -22.718 -3.089 0.006 1.00 0.00 C ATOM 388 C ILE A 27 -22.685 -4.429 0.656 1.00 0.00 C ATOM 389 O ILE A 27 -21.985 -4.653 1.643 1.00 0.00 O ATOM 390 CB ILE A 27 -21.372 -2.609 -0.448 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.394 -1.075 -0.559 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.065 -3.291 -1.792 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.262 -0.446 -1.370 1.00 0.00 C ATOM 0 H ILE A 27 -22.980 -1.763 1.517 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.248 -3.195 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.586 -2.867 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.343 -0.776 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.369 -0.657 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.090 -2.963 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.057 -4.373 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.830 -3.021 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.380 0.638 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.304 -0.703 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.293 -0.824 -2.392 1.00 0.00 H new ATOM 405 N THR A 28 -23.376 -5.427 0.077 1.00 0.00 N ATOM 406 CA THR A 28 -23.314 -6.778 0.541 1.00 0.00 C ATOM 407 C THR A 28 -22.162 -7.628 0.125 1.00 0.00 C ATOM 408 O THR A 28 -21.257 -7.217 -0.598 1.00 0.00 O ATOM 409 CB THR A 28 -24.609 -7.445 0.182 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.675 -7.602 -1.228 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.791 -6.629 0.731 1.00 0.00 C ATOM 0 H THR A 28 -23.989 -5.293 -0.728 1.00 0.00 H new ATOM 0 HA THR A 28 -23.144 -6.689 1.614 1.00 0.00 H new ATOM 0 HB THR A 28 -24.664 -8.435 0.636 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.518 -8.039 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.727 -7.121 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.712 -6.560 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.773 -5.628 0.301 1.00 0.00 H new ATOM 419 N THR A 29 -22.120 -8.892 0.584 1.00 0.00 N ATOM 420 CA THR A 29 -21.075 -9.811 0.257 1.00 0.00 C ATOM 421 C THR A 29 -21.023 -10.112 -1.201 1.00 0.00 C ATOM 422 O THR A 29 -19.934 -10.303 -1.741 1.00 0.00 O ATOM 423 CB THR A 29 -21.231 -11.116 0.980 1.00 0.00 C ATOM 424 OG1 THR A 29 -22.533 -11.645 0.776 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.927 -10.931 2.476 1.00 0.00 C ATOM 0 H THR A 29 -22.832 -9.285 1.199 1.00 0.00 H new ATOM 0 HA THR A 29 -20.154 -9.317 0.566 1.00 0.00 H new ATOM 0 HB THR A 29 -20.516 -11.834 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 29 -22.618 -12.497 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 29 -21.043 -11.884 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.904 -10.575 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 29 -21.618 -10.203 2.900 1.00 0.00 H new ATOM 433 N LYS A 30 -22.153 -10.202 -1.924 1.00 0.00 N ATOM 434 CA LYS A 30 -22.259 -10.469 -3.325 1.00 0.00 C ATOM 435 C LYS A 30 -21.646 -9.346 -4.088 1.00 0.00 C ATOM 436 O LYS A 30 -20.926 -9.640 -5.042 1.00 0.00 O ATOM 437 CB LYS A 30 -23.740 -10.633 -3.709 1.00 0.00 C ATOM 438 CG LYS A 30 -23.932 -11.276 -5.083 1.00 0.00 C ATOM 439 CD LYS A 30 -25.360 -11.764 -5.335 1.00 0.00 C ATOM 440 CE LYS A 30 -25.551 -12.023 -6.831 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.961 -12.083 -7.279 1.00 0.00 N ATOM 0 H LYS A 30 -23.068 -10.077 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.731 -11.392 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.240 -11.242 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -24.222 -9.656 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.662 -10.554 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.246 -12.118 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.550 -12.676 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -26.077 -11.020 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.041 -11.238 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.063 -12.964 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.993 -12.262 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.452 -12.851 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.430 -11.179 -7.071 1.00 0.00 H new ATOM 455 N GLU A 31 -21.996 -8.109 -3.691 1.00 0.00 N ATOM 456 CA GLU A 31 -21.611 -6.874 -4.300 1.00 0.00 C ATOM 457 C GLU A 31 -20.235 -6.455 -3.909 1.00 0.00 C ATOM 458 O GLU A 31 -19.642 -5.668 -4.644 1.00 0.00 O ATOM 459 CB GLU A 31 -22.573 -5.887 -3.618 1.00 0.00 C ATOM 460 CG GLU A 31 -24.062 -6.003 -3.953 1.00 0.00 C ATOM 461 CD GLU A 31 -25.026 -5.013 -3.316 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.076 -4.764 -2.082 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.972 -4.554 -4.011 1.00 0.00 O ATOM 0 H GLU A 31 -22.596 -7.963 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.638 -6.931 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.461 -6.000 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.250 -4.876 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.166 -5.919 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.387 -7.007 -3.678 1.00 0.00 H new ATOM 470 N LEU A 32 -19.594 -6.956 -2.838 1.00 0.00 N ATOM 471 CA LEU A 32 -18.250 -6.719 -2.409 1.00 0.00 C ATOM 472 C LEU A 32 -17.356 -7.676 -3.120 1.00 0.00 C ATOM 473 O LEU A 32 -16.270 -7.316 -3.571 1.00 0.00 O ATOM 474 CB LEU A 32 -18.082 -6.933 -0.896 1.00 0.00 C ATOM 475 CG LEU A 32 -18.485 -5.801 0.065 1.00 0.00 C ATOM 476 CD1 LEU A 32 -18.660 -6.220 1.534 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.674 -4.512 -0.144 1.00 0.00 C ATOM 0 H LEU A 32 -20.073 -7.597 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.998 -5.683 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.657 -7.818 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.033 -7.165 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.503 -5.545 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.944 -5.352 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.439 -6.979 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.721 -6.627 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.007 -3.754 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.616 -4.718 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.823 -4.149 -1.161 1.00 0.00 H new ATOM 489 N GLY A 33 -17.888 -8.896 -3.313 1.00 0.00 N ATOM 490 CA GLY A 33 -17.374 -9.836 -4.260 1.00 0.00 C ATOM 491 C GLY A 33 -17.280 -9.268 -5.635 1.00 0.00 C ATOM 492 O GLY A 33 -16.209 -9.194 -6.235 1.00 0.00 O ATOM 0 H GLY A 33 -18.698 -9.238 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.386 -10.167 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.016 -10.717 -4.277 1.00 0.00 H new ATOM 496 N THR A 34 -18.341 -8.644 -6.177 1.00 0.00 N ATOM 497 CA THR A 34 -18.346 -7.826 -7.350 1.00 0.00 C ATOM 498 C THR A 34 -17.265 -6.801 -7.388 1.00 0.00 C ATOM 499 O THR A 34 -16.520 -6.740 -8.365 1.00 0.00 O ATOM 500 CB THR A 34 -19.685 -7.272 -7.734 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.697 -8.268 -7.761 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.720 -6.702 -9.162 1.00 0.00 C ATOM 0 H THR A 34 -19.269 -8.719 -5.760 1.00 0.00 H new ATOM 0 HA THR A 34 -18.105 -8.538 -8.140 1.00 0.00 H new ATOM 0 HB THR A 34 -19.858 -6.506 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.867 -8.587 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.717 -6.318 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.993 -5.894 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.474 -7.490 -9.874 1.00 0.00 H new ATOM 510 N VAL A 35 -17.199 -6.006 -6.305 1.00 0.00 N ATOM 511 CA VAL A 35 -16.232 -4.969 -6.118 1.00 0.00 C ATOM 512 C VAL A 35 -14.799 -5.377 -6.125 1.00 0.00 C ATOM 513 O VAL A 35 -13.997 -4.710 -6.777 1.00 0.00 O ATOM 514 CB VAL A 35 -16.517 -4.115 -4.918 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.363 -3.247 -4.390 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.674 -3.167 -5.277 1.00 0.00 C ATOM 0 H VAL A 35 -17.850 -6.090 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.363 -4.381 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.735 -4.823 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.701 -2.680 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.529 -3.887 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.040 -2.558 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.903 -2.532 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.385 -2.544 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.555 -3.752 -5.542 1.00 0.00 H new ATOM 526 N MET A 36 -14.452 -6.520 -5.505 1.00 0.00 N ATOM 527 CA MET A 36 -13.205 -7.211 -5.609 1.00 0.00 C ATOM 528 C MET A 36 -12.898 -7.745 -6.965 1.00 0.00 C ATOM 529 O MET A 36 -11.843 -7.470 -7.535 1.00 0.00 O ATOM 530 CB MET A 36 -13.362 -8.345 -4.580 1.00 0.00 C ATOM 531 CG MET A 36 -13.279 -7.852 -3.134 1.00 0.00 C ATOM 532 SD MET A 36 -11.578 -7.467 -2.621 1.00 0.00 S ATOM 533 CE MET A 36 -11.919 -6.998 -0.900 1.00 0.00 C ATOM 0 H MET A 36 -15.100 -6.999 -4.879 1.00 0.00 H new ATOM 0 HA MET A 36 -12.365 -6.542 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.321 -8.840 -4.735 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.587 -9.092 -4.749 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.898 -6.962 -3.022 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.691 -8.613 -2.471 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.987 -6.723 -0.406 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.603 -6.149 -0.883 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.373 -7.840 -0.377 1.00 0.00 H new ATOM 543 N ARG A 37 -13.814 -8.501 -7.595 1.00 0.00 N ATOM 544 CA ARG A 37 -13.535 -9.147 -8.840 1.00 0.00 C ATOM 545 C ARG A 37 -13.346 -8.193 -9.968 1.00 0.00 C ATOM 546 O ARG A 37 -12.728 -8.490 -10.990 1.00 0.00 O ATOM 547 CB ARG A 37 -14.691 -10.116 -9.140 1.00 0.00 C ATOM 548 CG ARG A 37 -14.775 -11.319 -8.198 1.00 0.00 C ATOM 549 CD ARG A 37 -15.903 -12.305 -8.509 1.00 0.00 C ATOM 550 NE ARG A 37 -15.736 -13.442 -7.560 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.495 -14.571 -7.664 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.725 -14.490 -8.251 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.145 -15.692 -6.968 1.00 0.00 N ATOM 0 H ARG A 37 -14.755 -8.666 -7.239 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.589 -9.680 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.631 -9.566 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.588 -10.479 -10.163 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.826 -11.854 -8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.901 -10.955 -7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.878 -11.833 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.846 -12.649 -9.542 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.040 -13.375 -6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.064 -13.595 -8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.305 -15.325 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.318 -15.684 -6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.711 -16.537 -7.044 1.00 0.00 H new ATOM 567 N SER A 38 -13.917 -6.985 -9.813 1.00 0.00 N ATOM 568 CA SER A 38 -13.791 -5.886 -10.720 1.00 0.00 C ATOM 569 C SER A 38 -12.413 -5.321 -10.711 1.00 0.00 C ATOM 570 O SER A 38 -12.152 -4.649 -11.708 1.00 0.00 O ATOM 571 CB SER A 38 -14.824 -4.751 -10.612 1.00 0.00 C ATOM 572 OG SER A 38 -16.149 -5.252 -10.703 1.00 0.00 O ATOM 0 H SER A 38 -14.501 -6.763 -9.007 1.00 0.00 H new ATOM 0 HA SER A 38 -14.014 -6.356 -11.678 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.695 -4.227 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.652 -4.023 -11.405 1.00 0.00 H new ATOM 0 HG SER A 38 -16.356 -5.777 -9.902 1.00 0.00 H new ATOM 578 N LEU A 39 -11.609 -5.595 -9.668 1.00 0.00 N ATOM 579 CA LEU A 39 -10.272 -5.101 -9.562 1.00 0.00 C ATOM 580 C LEU A 39 -9.248 -6.092 -9.999 1.00 0.00 C ATOM 581 O LEU A 39 -8.060 -5.775 -9.998 1.00 0.00 O ATOM 582 CB LEU A 39 -10.109 -4.700 -8.086 1.00 0.00 C ATOM 583 CG LEU A 39 -11.069 -3.560 -7.708 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.075 -3.301 -6.192 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.675 -2.297 -8.493 1.00 0.00 C ATOM 0 H LEU A 39 -11.896 -6.174 -8.879 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.111 -4.255 -10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.298 -5.564 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.081 -4.388 -7.903 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.086 -3.848 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.765 -2.489 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.392 -4.204 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.072 -3.027 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.350 -1.481 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.652 -2.016 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.743 -2.497 -9.562 1.00 0.00 H new ATOM 597 N GLY A 40 -9.634 -7.335 -10.338 1.00 0.00 N ATOM 598 CA GLY A 40 -8.787 -8.473 -10.515 1.00 0.00 C ATOM 599 C GLY A 40 -8.452 -9.265 -9.298 1.00 0.00 C ATOM 600 O GLY A 40 -7.490 -10.031 -9.266 1.00 0.00 O ATOM 0 H GLY A 40 -10.615 -7.560 -10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.263 -9.141 -11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.854 -8.134 -10.965 1.00 0.00 H new ATOM 604 N GLN A 41 -9.291 -9.105 -8.259 1.00 0.00 N ATOM 605 CA GLN A 41 -9.103 -9.682 -6.965 1.00 0.00 C ATOM 606 C GLN A 41 -10.184 -10.676 -6.709 1.00 0.00 C ATOM 607 O GLN A 41 -11.169 -10.757 -7.441 1.00 0.00 O ATOM 608 CB GLN A 41 -9.153 -8.623 -5.851 1.00 0.00 C ATOM 609 CG GLN A 41 -8.097 -7.542 -6.090 1.00 0.00 C ATOM 610 CD GLN A 41 -8.239 -6.370 -5.130 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.985 -6.504 -4.161 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.444 -5.297 -5.386 1.00 0.00 N ATOM 0 H GLN A 41 -10.142 -8.546 -8.325 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.120 -10.152 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.144 -8.170 -5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.985 -9.096 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.104 -7.978 -5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.177 -7.180 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.859 -5.283 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.432 -4.506 -4.742 1.00 0.00 H new ATOM 621 N ASN A 42 -10.024 -11.502 -5.660 1.00 0.00 N ATOM 622 CA ASN A 42 -10.933 -12.531 -5.259 1.00 0.00 C ATOM 623 C ASN A 42 -10.425 -13.139 -3.998 1.00 0.00 C ATOM 624 O ASN A 42 -9.761 -14.174 -4.035 1.00 0.00 O ATOM 625 CB ASN A 42 -11.154 -13.583 -6.359 1.00 0.00 C ATOM 626 CG ASN A 42 -12.213 -14.611 -5.986 1.00 0.00 C ATOM 627 OD1 ASN A 42 -13.361 -14.234 -5.757 1.00 0.00 O ATOM 628 ND2 ASN A 42 -11.782 -15.869 -5.698 1.00 0.00 N ATOM 0 H ASN A 42 -9.206 -11.447 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.915 -12.091 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.449 -13.082 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.213 -14.094 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.421 -16.542 -5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.820 -16.139 -5.905 1.00 0.00 H new ATOM 635 N PRO A 43 -10.646 -12.646 -2.815 1.00 0.00 N ATOM 636 CA PRO A 43 -10.497 -13.388 -1.597 1.00 0.00 C ATOM 637 C PRO A 43 -11.357 -14.585 -1.382 1.00 0.00 C ATOM 638 O PRO A 43 -12.297 -14.819 -2.140 1.00 0.00 O ATOM 639 CB PRO A 43 -10.827 -12.337 -0.538 1.00 0.00 C ATOM 640 CG PRO A 43 -11.650 -11.226 -1.209 1.00 0.00 C ATOM 641 CD PRO A 43 -11.030 -11.257 -2.615 1.00 0.00 C ATOM 0 HA PRO A 43 -9.502 -13.833 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.389 -12.785 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.912 -11.927 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.718 -11.444 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.526 -10.260 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.744 -10.930 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.168 -10.593 -2.683 1.00 0.00 H new ATOM 649 N THR A 44 -11.190 -15.349 -0.288 1.00 0.00 N ATOM 650 CA THR A 44 -12.165 -16.349 0.022 1.00 0.00 C ATOM 651 C THR A 44 -13.263 -15.741 0.825 1.00 0.00 C ATOM 652 O THR A 44 -13.322 -14.551 1.130 1.00 0.00 O ATOM 653 CB THR A 44 -11.542 -17.421 0.867 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.033 -16.990 2.120 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.450 -18.224 0.140 1.00 0.00 C ATOM 0 H THR A 44 -10.408 -15.280 0.363 1.00 0.00 H new ATOM 0 HA THR A 44 -12.545 -16.763 -0.912 1.00 0.00 H new ATOM 0 HB THR A 44 -12.395 -18.069 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.275 -17.556 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.046 -18.980 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.878 -18.710 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.651 -17.552 -0.172 1.00 0.00 H new ATOM 663 N GLU A 45 -14.273 -16.544 1.205 1.00 0.00 N ATOM 664 CA GLU A 45 -15.511 -16.141 1.795 1.00 0.00 C ATOM 665 C GLU A 45 -15.271 -15.624 3.172 1.00 0.00 C ATOM 666 O GLU A 45 -15.813 -14.606 3.600 1.00 0.00 O ATOM 667 CB GLU A 45 -16.519 -17.301 1.848 1.00 0.00 C ATOM 668 CG GLU A 45 -16.976 -17.736 0.454 1.00 0.00 C ATOM 669 CD GLU A 45 -18.275 -17.149 -0.079 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.204 -17.079 0.770 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.361 -16.590 -1.205 1.00 0.00 O ATOM 0 H GLU A 45 -14.217 -17.556 1.089 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.935 -15.354 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.067 -18.150 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.387 -16.999 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.182 -17.490 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.075 -18.822 0.457 1.00 0.00 H new ATOM 678 N ALA A 46 -14.375 -16.311 3.902 1.00 0.00 N ATOM 679 CA ALA A 46 -13.962 -16.012 5.238 1.00 0.00 C ATOM 680 C ALA A 46 -12.952 -14.927 5.390 1.00 0.00 C ATOM 681 O ALA A 46 -13.050 -14.207 6.383 1.00 0.00 O ATOM 682 CB ALA A 46 -13.380 -17.263 5.918 1.00 0.00 C ATOM 0 H ALA A 46 -13.905 -17.136 3.530 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.881 -15.659 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.072 -17.015 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.138 -18.046 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.517 -17.616 5.353 1.00 0.00 H new ATOM 688 N GLU A 47 -12.013 -14.846 4.431 1.00 0.00 N ATOM 689 CA GLU A 47 -11.130 -13.728 4.303 1.00 0.00 C ATOM 690 C GLU A 47 -11.885 -12.447 4.211 1.00 0.00 C ATOM 691 O GLU A 47 -11.573 -11.446 4.853 1.00 0.00 O ATOM 692 CB GLU A 47 -10.237 -13.830 3.055 1.00 0.00 C ATOM 693 CG GLU A 47 -9.093 -14.839 3.176 1.00 0.00 C ATOM 694 CD GLU A 47 -8.279 -14.768 1.893 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.830 -15.027 0.789 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.070 -14.425 1.988 1.00 0.00 O ATOM 0 H GLU A 47 -11.864 -15.572 3.730 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.509 -13.742 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.857 -14.103 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.817 -12.847 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.468 -14.608 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.484 -15.845 3.326 1.00 0.00 H new ATOM 703 N LEU A 48 -12.826 -12.432 3.249 1.00 0.00 N ATOM 704 CA LEU A 48 -13.761 -11.357 3.137 1.00 0.00 C ATOM 705 C LEU A 48 -14.561 -10.975 4.335 1.00 0.00 C ATOM 706 O LEU A 48 -14.637 -9.835 4.791 1.00 0.00 O ATOM 707 CB LEU A 48 -14.750 -11.635 1.992 1.00 0.00 C ATOM 708 CG LEU A 48 -15.493 -10.431 1.388 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.705 -9.223 0.853 1.00 0.00 C ATOM 710 CD2 LEU A 48 -16.547 -10.832 0.343 1.00 0.00 C ATOM 0 H LEU A 48 -12.939 -13.165 2.549 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.101 -10.507 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.204 -12.131 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.495 -12.343 2.355 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.942 -10.057 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.400 -8.477 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.115 -8.787 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.041 -9.548 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.035 -9.937 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.063 -11.365 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.292 -11.479 0.807 1.00 0.00 H new ATOM 722 N GLN A 49 -15.247 -11.925 4.996 1.00 0.00 N ATOM 723 CA GLN A 49 -16.095 -11.597 6.100 1.00 0.00 C ATOM 724 C GLN A 49 -15.410 -11.104 7.328 1.00 0.00 C ATOM 725 O GLN A 49 -15.956 -10.190 7.945 1.00 0.00 O ATOM 726 CB GLN A 49 -17.009 -12.785 6.442 1.00 0.00 C ATOM 727 CG GLN A 49 -17.864 -12.590 7.697 1.00 0.00 C ATOM 728 CD GLN A 49 -18.838 -13.756 7.790 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.426 -14.903 7.951 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.164 -13.519 7.602 1.00 0.00 N ATOM 0 H GLN A 49 -15.215 -12.918 4.767 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.677 -10.744 5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.668 -12.975 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.393 -13.675 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.233 -12.549 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.405 -11.645 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.498 -12.564 7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.825 -14.296 7.594 1.00 0.00 H new ATOM 739 N ASP A 50 -14.156 -11.550 7.516 1.00 0.00 N ATOM 740 CA ASP A 50 -13.284 -10.902 8.445 1.00 0.00 C ATOM 741 C ASP A 50 -12.980 -9.487 8.087 1.00 0.00 C ATOM 742 O ASP A 50 -12.930 -8.663 8.999 1.00 0.00 O ATOM 743 CB ASP A 50 -11.981 -11.705 8.599 1.00 0.00 C ATOM 744 CG ASP A 50 -12.005 -13.033 9.342 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.860 -13.340 10.215 1.00 0.00 O ATOM 746 OD2 ASP A 50 -11.003 -13.765 9.121 1.00 0.00 O ATOM 0 H ASP A 50 -13.749 -12.350 7.031 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.815 -10.870 9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.595 -11.897 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.258 -11.062 9.101 1.00 0.00 H new ATOM 751 N MET A 51 -12.839 -9.122 6.801 1.00 0.00 N ATOM 752 CA MET A 51 -12.586 -7.771 6.408 1.00 0.00 C ATOM 753 C MET A 51 -13.752 -6.884 6.683 1.00 0.00 C ATOM 754 O MET A 51 -13.652 -5.756 7.161 1.00 0.00 O ATOM 755 CB MET A 51 -12.319 -7.456 4.927 1.00 0.00 C ATOM 756 CG MET A 51 -11.044 -8.139 4.429 1.00 0.00 C ATOM 757 SD MET A 51 -10.556 -7.820 2.706 1.00 0.00 S ATOM 758 CE MET A 51 -9.293 -9.124 2.699 1.00 0.00 C ATOM 0 H MET A 51 -12.902 -9.776 6.021 1.00 0.00 H new ATOM 0 HA MET A 51 -11.679 -7.604 6.990 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.167 -7.784 4.326 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.231 -6.378 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.221 -7.834 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.165 -9.215 4.553 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.810 -9.157 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.548 -8.913 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.762 -10.086 2.904 1.00 0.00 H new ATOM 768 N ILE A 52 -14.976 -7.411 6.502 1.00 0.00 N ATOM 769 CA ILE A 52 -16.198 -6.793 6.916 1.00 0.00 C ATOM 770 C ILE A 52 -16.306 -6.543 8.381 1.00 0.00 C ATOM 771 O ILE A 52 -16.662 -5.470 8.865 1.00 0.00 O ATOM 772 CB ILE A 52 -17.370 -7.585 6.417 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.415 -7.886 4.910 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.648 -6.900 6.929 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.608 -8.734 4.472 1.00 0.00 C ATOM 0 H ILE A 52 -15.121 -8.311 6.045 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.198 -5.801 6.464 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.268 -8.591 6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.435 -6.943 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.496 -8.399 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.521 -7.453 6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.639 -6.881 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.691 -5.879 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.562 -8.898 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.581 -9.694 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.534 -8.215 4.720 1.00 0.00 H new ATOM 787 N ASN A 53 -16.025 -7.505 9.278 1.00 0.00 N ATOM 788 CA ASN A 53 -16.179 -7.553 10.699 1.00 0.00 C ATOM 789 C ASN A 53 -15.302 -6.609 11.447 1.00 0.00 C ATOM 790 O ASN A 53 -15.432 -6.329 12.638 1.00 0.00 O ATOM 791 CB ASN A 53 -15.842 -8.968 11.196 1.00 0.00 C ATOM 792 CG ASN A 53 -16.400 -9.313 12.569 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.414 -8.828 13.070 1.00 0.00 O ATOM 794 ND2 ASN A 53 -15.666 -10.265 13.205 1.00 0.00 N ATOM 0 H ASN A 53 -15.628 -8.384 8.947 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.213 -7.267 10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.220 -9.691 10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.758 -9.080 11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.951 -10.598 14.126 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.830 -10.646 12.761 1.00 0.00 H new ATOM 801 N GLU A 54 -14.210 -6.196 10.779 1.00 0.00 N ATOM 802 CA GLU A 54 -13.255 -5.233 11.231 1.00 0.00 C ATOM 803 C GLU A 54 -13.764 -3.838 11.104 1.00 0.00 C ATOM 804 O GLU A 54 -13.747 -3.074 12.067 1.00 0.00 O ATOM 805 CB GLU A 54 -11.896 -5.493 10.560 1.00 0.00 C ATOM 806 CG GLU A 54 -10.804 -4.608 11.163 1.00 0.00 C ATOM 807 CD GLU A 54 -9.657 -4.661 10.164 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.832 -4.097 9.051 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.645 -5.359 10.442 1.00 0.00 O ATOM 0 H GLU A 54 -13.979 -6.563 9.856 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.094 -5.352 12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.624 -6.542 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.973 -5.302 9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.157 -3.587 11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.493 -4.976 12.141 1.00 0.00 H new ATOM 816 N VAL A 55 -14.327 -3.575 9.911 1.00 0.00 N ATOM 817 CA VAL A 55 -14.818 -2.278 9.562 1.00 0.00 C ATOM 818 C VAL A 55 -16.158 -1.964 10.134 1.00 0.00 C ATOM 819 O VAL A 55 -16.573 -0.820 10.315 1.00 0.00 O ATOM 820 CB VAL A 55 -14.743 -1.951 8.100 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.354 -2.132 7.465 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.774 -2.733 7.269 1.00 0.00 C ATOM 0 H VAL A 55 -14.443 -4.274 9.177 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.109 -1.608 10.048 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.974 -0.886 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.401 -1.872 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.637 -1.483 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.039 -3.170 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.677 -2.459 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.598 -3.803 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.779 -2.492 7.616 1.00 0.00 H new ATOM 832 N ASP A 56 -16.875 -3.042 10.498 1.00 0.00 N ATOM 833 CA ASP A 56 -18.189 -3.050 11.062 1.00 0.00 C ATOM 834 C ASP A 56 -18.131 -2.935 12.546 1.00 0.00 C ATOM 835 O ASP A 56 -18.208 -3.919 13.281 1.00 0.00 O ATOM 836 CB ASP A 56 -19.010 -4.275 10.625 1.00 0.00 C ATOM 837 CG ASP A 56 -20.499 -4.189 10.932 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.076 -3.160 10.491 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.102 -5.128 11.517 1.00 0.00 O ATOM 0 H ASP A 56 -16.503 -3.985 10.388 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.709 -2.175 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.882 -4.416 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.603 -5.160 11.114 1.00 0.00 H new ATOM 844 N ALA A 57 -18.045 -1.705 13.081 1.00 0.00 N ATOM 845 CA ALA A 57 -18.163 -1.550 14.498 1.00 0.00 C ATOM 846 C ALA A 57 -19.527 -1.225 15.001 1.00 0.00 C ATOM 847 O ALA A 57 -19.877 -1.369 16.171 1.00 0.00 O ATOM 848 CB ALA A 57 -17.105 -0.531 14.955 1.00 0.00 C ATOM 0 H ALA A 57 -17.899 -0.844 12.555 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.979 -2.526 14.948 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.174 -0.394 16.034 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.111 -0.898 14.698 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.279 0.423 14.457 1.00 0.00 H new ATOM 854 N ASP A 58 -20.418 -0.932 14.037 1.00 0.00 N ATOM 855 CA ASP A 58 -21.827 -0.729 14.173 1.00 0.00 C ATOM 856 C ASP A 58 -22.693 -1.928 14.351 1.00 0.00 C ATOM 857 O ASP A 58 -23.256 -2.156 15.421 1.00 0.00 O ATOM 858 CB ASP A 58 -22.255 0.288 13.101 1.00 0.00 C ATOM 859 CG ASP A 58 -22.162 -0.294 11.698 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.001 -0.541 11.274 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.226 -0.609 11.102 1.00 0.00 O ATOM 0 H ASP A 58 -20.119 -0.827 13.067 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.012 -0.309 15.162 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.279 0.610 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.624 1.174 13.169 1.00 0.00 H new ATOM 866 N GLY A 59 -22.704 -2.853 13.375 1.00 0.00 N ATOM 867 CA GLY A 59 -23.411 -4.096 13.362 1.00 0.00 C ATOM 868 C GLY A 59 -24.308 -4.459 12.229 1.00 0.00 C ATOM 869 O GLY A 59 -24.886 -5.542 12.305 1.00 0.00 O ATOM 0 H GLY A 59 -22.169 -2.716 12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.666 -4.887 13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.014 -4.129 14.269 1.00 0.00 H new ATOM 873 N ASN A 60 -24.422 -3.743 11.096 1.00 0.00 N ATOM 874 CA ASN A 60 -25.364 -4.049 10.065 1.00 0.00 C ATOM 875 C ASN A 60 -24.868 -5.208 9.272 1.00 0.00 C ATOM 876 O ASN A 60 -25.642 -5.800 8.521 1.00 0.00 O ATOM 877 CB ASN A 60 -25.806 -2.831 9.236 1.00 0.00 C ATOM 878 CG ASN A 60 -24.693 -2.140 8.461 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.500 -2.287 8.719 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.015 -1.249 7.486 1.00 0.00 N ATOM 0 H ASN A 60 -23.843 -2.929 10.891 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.302 -4.352 10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.574 -3.150 8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.268 -2.104 9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.279 -0.735 7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.992 -1.095 7.239 1.00 0.00 H new ATOM 887 N GLY A 61 -23.562 -5.516 9.367 1.00 0.00 N ATOM 888 CA GLY A 61 -22.884 -6.584 8.700 1.00 0.00 C ATOM 889 C GLY A 61 -22.411 -6.306 7.315 1.00 0.00 C ATOM 890 O GLY A 61 -21.926 -7.096 6.506 1.00 0.00 O ATOM 0 H GLY A 61 -22.931 -4.974 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.023 -6.872 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.552 -7.445 8.667 1.00 0.00 H new ATOM 894 N THR A 62 -22.760 -5.094 6.849 1.00 0.00 N ATOM 895 CA THR A 62 -22.440 -4.678 5.518 1.00 0.00 C ATOM 896 C THR A 62 -21.663 -3.407 5.518 1.00 0.00 C ATOM 897 O THR A 62 -21.473 -2.757 6.545 1.00 0.00 O ATOM 898 CB THR A 62 -23.679 -4.336 4.746 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.585 -3.434 5.364 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.392 -5.681 4.528 1.00 0.00 C ATOM 0 H THR A 62 -23.266 -4.398 7.397 1.00 0.00 H new ATOM 0 HA THR A 62 -21.885 -5.508 5.082 1.00 0.00 H new ATOM 0 HB THR A 62 -23.371 -3.813 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.420 -3.406 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.313 -5.518 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.740 -6.352 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.629 -6.128 5.494 1.00 0.00 H new ATOM 908 N ILE A 63 -21.044 -3.050 4.379 1.00 0.00 N ATOM 909 CA ILE A 63 -20.226 -1.879 4.314 1.00 0.00 C ATOM 910 C ILE A 63 -21.166 -0.858 3.772 1.00 0.00 C ATOM 911 O ILE A 63 -21.892 -1.009 2.791 1.00 0.00 O ATOM 912 CB ILE A 63 -18.999 -2.144 3.494 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.100 -3.076 4.324 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.268 -0.847 3.106 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.660 -3.222 3.834 1.00 0.00 C ATOM 0 H ILE A 63 -21.110 -3.571 3.504 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.805 -1.539 5.260 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.272 -2.613 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.079 -2.710 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.558 -4.065 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.386 -1.090 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.936 -0.214 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.964 -0.317 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.119 -3.901 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.659 -3.623 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.173 -2.247 3.839 1.00 0.00 H new ATOM 927 N ASP A 64 -21.429 0.143 4.631 1.00 0.00 N ATOM 928 CA ASP A 64 -22.254 1.290 4.411 1.00 0.00 C ATOM 929 C ASP A 64 -21.459 2.443 3.901 1.00 0.00 C ATOM 930 O ASP A 64 -20.243 2.347 3.744 1.00 0.00 O ATOM 931 CB ASP A 64 -23.147 1.559 5.634 1.00 0.00 C ATOM 932 CG ASP A 64 -22.558 1.461 7.034 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.235 0.359 7.551 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.596 2.532 7.696 1.00 0.00 O ATOM 0 H ASP A 64 -21.025 0.147 5.567 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.959 1.095 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.558 2.563 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.985 0.864 5.584 1.00 0.00 H new ATOM 939 N PHE A 65 -22.066 3.563 3.468 1.00 0.00 N ATOM 940 CA PHE A 65 -21.466 4.773 2.997 1.00 0.00 C ATOM 941 C PHE A 65 -20.400 5.357 3.859 1.00 0.00 C ATOM 942 O PHE A 65 -19.306 5.440 3.302 1.00 0.00 O ATOM 943 CB PHE A 65 -22.493 5.808 2.509 1.00 0.00 C ATOM 944 CG PHE A 65 -21.817 6.922 1.786 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.076 6.771 0.638 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.951 8.176 2.333 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.392 7.830 0.090 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.271 9.278 1.871 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.519 9.032 0.746 1.00 0.00 C ATOM 0 H PHE A 65 -23.084 3.624 3.447 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.912 4.446 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.216 5.327 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.049 6.204 3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.030 5.804 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.624 8.302 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.791 7.724 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.323 10.246 2.347 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.972 9.868 0.336 1.00 0.00 H new ATOM 959 N PRO A 66 -20.386 5.676 5.119 1.00 0.00 N ATOM 960 CA PRO A 66 -19.319 6.409 5.738 1.00 0.00 C ATOM 961 C PRO A 66 -18.150 5.527 6.011 1.00 0.00 C ATOM 962 O PRO A 66 -16.987 5.890 6.179 1.00 0.00 O ATOM 963 CB PRO A 66 -19.988 6.794 7.056 1.00 0.00 C ATOM 964 CG PRO A 66 -20.968 5.650 7.362 1.00 0.00 C ATOM 965 CD PRO A 66 -21.538 5.385 5.959 1.00 0.00 C ATOM 0 HA PRO A 66 -18.934 7.235 5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.252 6.906 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.510 7.747 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.467 4.776 7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.739 5.944 8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.881 4.357 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.386 6.032 5.732 1.00 0.00 H new ATOM 973 N GLU A 67 -18.566 4.248 6.009 1.00 0.00 N ATOM 974 CA GLU A 67 -17.733 3.093 6.132 1.00 0.00 C ATOM 975 C GLU A 67 -16.973 2.930 4.861 1.00 0.00 C ATOM 976 O GLU A 67 -15.744 2.899 4.845 1.00 0.00 O ATOM 977 CB GLU A 67 -18.552 1.841 6.490 1.00 0.00 C ATOM 978 CG GLU A 67 -17.826 0.735 7.257 1.00 0.00 C ATOM 979 CD GLU A 67 -18.866 -0.102 7.988 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.505 0.462 8.916 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.178 -1.260 7.601 1.00 0.00 O ATOM 0 H GLU A 67 -19.552 4.006 5.915 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.029 3.227 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.412 2.156 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.940 1.414 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.251 0.112 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.119 1.166 7.966 1.00 0.00 H new ATOM 988 N PHE A 68 -17.650 2.840 3.702 1.00 0.00 N ATOM 989 CA PHE A 68 -17.064 2.900 2.399 1.00 0.00 C ATOM 990 C PHE A 68 -16.244 4.123 2.171 1.00 0.00 C ATOM 991 O PHE A 68 -15.146 4.087 1.618 1.00 0.00 O ATOM 992 CB PHE A 68 -18.171 2.778 1.338 1.00 0.00 C ATOM 993 CG PHE A 68 -17.683 2.675 -0.066 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.164 1.500 -0.556 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.671 3.822 -0.824 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.884 1.407 -1.899 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.333 3.698 -2.152 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.965 2.504 -2.725 1.00 0.00 C ATOM 0 H PHE A 68 -18.662 2.719 3.673 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.371 2.063 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.775 1.899 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.827 3.645 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.979 0.664 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.917 4.782 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.594 0.453 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.358 4.581 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.748 2.430 -3.780 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.675 5.337 2.558 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.947 6.562 2.444 1.00 0.00 C ATOM 1010 C LEU A 69 -14.636 6.561 3.152 1.00 0.00 C ATOM 1011 O LEU A 69 -13.640 7.116 2.690 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.941 7.643 2.904 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.615 9.144 2.978 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.957 9.887 3.089 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.795 9.391 4.255 1.00 0.00 C ATOM 0 H LEU A 69 -17.595 5.470 2.979 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.617 6.748 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.810 7.553 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.263 7.353 3.904 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.053 9.483 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.775 10.960 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.568 9.667 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.480 9.561 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.550 10.450 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.378 9.090 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.875 8.808 4.215 1.00 0.00 H new ATOM 1027 N THR A 70 -14.545 5.978 4.361 1.00 0.00 N ATOM 1028 CA THR A 70 -13.364 5.954 5.167 1.00 0.00 C ATOM 1029 C THR A 70 -12.411 4.979 4.564 1.00 0.00 C ATOM 1030 O THR A 70 -11.242 5.291 4.344 1.00 0.00 O ATOM 1031 CB THR A 70 -13.648 5.610 6.599 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.483 6.671 7.041 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.354 5.646 7.428 1.00 0.00 C ATOM 0 H THR A 70 -15.334 5.500 4.797 1.00 0.00 H new ATOM 0 HA THR A 70 -12.930 6.954 5.182 1.00 0.00 H new ATOM 0 HB THR A 70 -14.088 4.618 6.703 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.407 6.497 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.579 5.394 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.643 4.924 7.025 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.921 6.645 7.383 1.00 0.00 H new ATOM 1041 N MET A 71 -12.794 3.781 4.087 1.00 0.00 N ATOM 1042 CA MET A 71 -11.823 2.942 3.457 1.00 0.00 C ATOM 1043 C MET A 71 -11.341 3.439 2.137 1.00 0.00 C ATOM 1044 O MET A 71 -10.169 3.322 1.784 1.00 0.00 O ATOM 1045 CB MET A 71 -12.257 1.469 3.374 1.00 0.00 C ATOM 1046 CG MET A 71 -13.677 1.334 2.819 1.00 0.00 C ATOM 1047 SD MET A 71 -14.088 -0.279 2.088 1.00 0.00 S ATOM 1048 CE MET A 71 -13.523 0.192 0.428 1.00 0.00 C ATOM 0 H MET A 71 -13.740 3.403 4.134 1.00 0.00 H new ATOM 0 HA MET A 71 -10.965 2.992 4.128 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.563 0.919 2.738 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.208 1.018 4.365 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.383 1.538 3.624 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.826 2.104 2.062 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.648 -0.651 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.111 1.037 0.070 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.471 0.473 0.468 1.00 0.00 H new ATOM 1058 N MET A 72 -12.212 4.051 1.315 1.00 0.00 N ATOM 1059 CA MET A 72 -11.832 4.794 0.154 1.00 0.00 C ATOM 1060 C MET A 72 -11.007 6.000 0.447 1.00 0.00 C ATOM 1061 O MET A 72 -10.016 6.185 -0.257 1.00 0.00 O ATOM 1062 CB MET A 72 -13.015 5.247 -0.717 1.00 0.00 C ATOM 1063 CG MET A 72 -13.751 4.087 -1.390 1.00 0.00 C ATOM 1064 SD MET A 72 -12.754 2.908 -2.350 1.00 0.00 S ATOM 1065 CE MET A 72 -11.800 4.055 -3.386 1.00 0.00 C ATOM 0 H MET A 72 -13.221 4.027 1.465 1.00 0.00 H new ATOM 0 HA MET A 72 -11.233 4.068 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.719 5.805 -0.100 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.651 5.931 -1.484 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.280 3.530 -0.617 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.507 4.507 -2.053 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.242 3.492 -4.134 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.480 4.746 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.105 4.617 -2.762 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.150 6.759 1.548 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.181 7.751 1.899 1.00 0.00 C ATOM 1077 C ALA A 73 -8.822 7.182 2.123 1.00 0.00 C ATOM 1078 O ALA A 73 -7.840 7.674 1.568 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.658 8.736 2.980 1.00 0.00 C ATOM 0 H ALA A 73 -11.935 6.686 2.195 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.071 8.382 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.867 9.456 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.544 9.263 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.901 8.188 3.890 1.00 0.00 H new ATOM 1234 N GLU A 83 3.574 7.934 0.158 1.00 0.00 N ATOM 1235 CA GLU A 83 3.229 8.541 1.406 1.00 0.00 C ATOM 1236 C GLU A 83 2.974 7.564 2.502 1.00 0.00 C ATOM 1237 O GLU A 83 3.458 7.609 3.632 1.00 0.00 O ATOM 1238 CB GLU A 83 2.043 9.449 1.040 1.00 0.00 C ATOM 1239 CG GLU A 83 2.448 10.775 0.393 1.00 0.00 C ATOM 1240 CD GLU A 83 3.501 11.593 1.126 1.00 0.00 C ATOM 1241 OE1 GLU A 83 3.467 11.583 2.386 1.00 0.00 O ATOM 1242 OE2 GLU A 83 4.321 12.337 0.524 1.00 0.00 O ATOM 0 HA GLU A 83 4.047 9.113 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.384 8.911 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.467 9.658 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.816 10.566 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.554 11.389 0.284 1.00 0.00 H new ATOM 1249 N GLU A 84 2.025 6.660 2.200 1.00 0.00 N ATOM 1250 CA GLU A 84 1.429 5.797 3.172 1.00 0.00 C ATOM 1251 C GLU A 84 2.342 4.817 3.825 1.00 0.00 C ATOM 1252 O GLU A 84 2.315 4.719 5.051 1.00 0.00 O ATOM 1253 CB GLU A 84 0.173 5.080 2.648 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.068 5.974 2.670 1.00 0.00 C ATOM 1255 CD GLU A 84 -1.423 6.412 4.084 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -1.622 5.482 4.911 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -1.336 7.629 4.396 1.00 0.00 O ATOM 0 H GLU A 84 1.663 6.526 1.256 1.00 0.00 H new ATOM 0 HA GLU A 84 1.142 6.498 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.353 4.739 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.013 4.192 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.894 6.853 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.910 5.438 2.233 1.00 0.00 H new ATOM 1264 N ILE A 85 3.188 4.097 3.067 1.00 0.00 N ATOM 1265 CA ILE A 85 4.218 3.278 3.629 1.00 0.00 C ATOM 1266 C ILE A 85 5.099 4.004 4.587 1.00 0.00 C ATOM 1267 O ILE A 85 5.455 3.431 5.615 1.00 0.00 O ATOM 1268 CB ILE A 85 4.870 2.499 2.525 1.00 0.00 C ATOM 1269 CG1 ILE A 85 5.987 3.337 1.879 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.798 2.249 1.451 1.00 0.00 C ATOM 1271 CD1 ILE A 85 6.535 2.929 0.512 1.00 0.00 C ATOM 0 H ILE A 85 3.157 4.083 2.048 1.00 0.00 H new ATOM 0 HA ILE A 85 3.795 2.531 4.301 1.00 0.00 H new ATOM 0 HB ILE A 85 5.287 1.572 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.620 4.360 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.826 3.357 2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.233 1.683 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.974 1.683 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.426 3.204 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.314 3.628 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.953 1.924 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.729 2.943 -0.222 1.00 0.00 H new ATOM 1283 N ARG A 86 5.523 5.237 4.257 1.00 0.00 N ATOM 1284 CA ARG A 86 6.309 6.077 5.107 1.00 0.00 C ATOM 1285 C ARG A 86 5.697 6.453 6.412 1.00 0.00 C ATOM 1286 O ARG A 86 6.308 6.277 7.465 1.00 0.00 O ATOM 1287 CB ARG A 86 6.655 7.370 4.349 1.00 0.00 C ATOM 1288 CG ARG A 86 7.999 8.011 4.696 1.00 0.00 C ATOM 1289 CD ARG A 86 8.571 9.115 3.805 1.00 0.00 C ATOM 1290 NE ARG A 86 7.523 10.168 3.702 1.00 0.00 N ATOM 1291 CZ ARG A 86 6.940 10.565 2.533 1.00 0.00 C ATOM 1292 NH1 ARG A 86 6.720 9.645 1.549 1.00 0.00 N ATOM 1293 NH2 ARG A 86 6.375 11.803 2.423 1.00 0.00 N ATOM 0 H ARG A 86 5.308 5.668 3.358 1.00 0.00 H new ATOM 0 HA ARG A 86 7.183 5.476 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.642 7.156 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.868 8.100 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.914 8.419 5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.739 7.212 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.487 9.522 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.825 8.724 2.820 1.00 0.00 H new ATOM 0 HE ARG A 86 7.220 10.623 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.990 8.672 1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.285 9.931 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.386 12.441 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.942 12.090 1.545 1.00 0.00 H new ATOM 1307 N GLU A 87 4.490 7.046 6.389 1.00 0.00 N ATOM 1308 CA GLU A 87 3.826 7.373 7.612 1.00 0.00 C ATOM 1309 C GLU A 87 3.453 6.160 8.394 1.00 0.00 C ATOM 1310 O GLU A 87 3.617 6.243 9.610 1.00 0.00 O ATOM 1311 CB GLU A 87 2.685 8.368 7.338 1.00 0.00 C ATOM 1312 CG GLU A 87 1.851 8.797 8.547 1.00 0.00 C ATOM 1313 CD GLU A 87 2.478 9.716 9.585 1.00 0.00 C ATOM 1314 OE1 GLU A 87 3.722 9.902 9.656 1.00 0.00 O ATOM 1315 OE2 GLU A 87 1.656 10.301 10.340 1.00 0.00 O ATOM 0 H GLU A 87 3.982 7.295 5.541 1.00 0.00 H new ATOM 0 HA GLU A 87 4.516 7.891 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.113 9.262 6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.015 7.925 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.954 9.289 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.527 7.892 9.061 1.00 0.00 H new ATOM 1322 N ALA A 88 2.960 5.053 7.810 1.00 0.00 N ATOM 1323 CA ALA A 88 2.500 3.947 8.591 1.00 0.00 C ATOM 1324 C ALA A 88 3.585 3.175 9.259 1.00 0.00 C ATOM 1325 O ALA A 88 3.340 2.472 10.238 1.00 0.00 O ATOM 1326 CB ALA A 88 1.799 3.047 7.561 1.00 0.00 C ATOM 0 H ALA A 88 2.880 4.924 6.801 1.00 0.00 H new ATOM 0 HA ALA A 88 1.869 4.298 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.406 2.161 8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.980 3.596 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.514 2.745 6.795 1.00 0.00 H new ATOM 1332 N PHE A 89 4.815 3.261 8.723 1.00 0.00 N ATOM 1333 CA PHE A 89 6.022 2.745 9.290 1.00 0.00 C ATOM 1334 C PHE A 89 6.415 3.484 10.523 1.00 0.00 C ATOM 1335 O PHE A 89 6.728 2.849 11.529 1.00 0.00 O ATOM 1336 CB PHE A 89 7.153 2.795 8.248 1.00 0.00 C ATOM 1337 CG PHE A 89 8.213 1.885 8.765 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.195 2.326 9.621 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.082 0.540 8.512 1.00 0.00 C ATOM 1340 CE1 PHE A 89 10.093 1.444 10.175 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.002 -0.347 9.021 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.965 0.104 9.893 1.00 0.00 C ATOM 0 H PHE A 89 4.977 3.725 7.829 1.00 0.00 H new ATOM 0 HA PHE A 89 5.842 1.709 9.577 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.800 2.469 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.532 3.810 8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.262 3.377 9.861 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.258 0.180 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.884 1.797 10.820 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.968 -1.389 8.738 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.631 -0.605 10.363 1.00 0.00 H new ATOM 1352 N ARG A 90 6.294 4.823 10.507 1.00 0.00 N ATOM 1353 CA ARG A 90 6.803 5.722 11.496 1.00 0.00 C ATOM 1354 C ARG A 90 5.810 5.721 12.607 1.00 0.00 C ATOM 1355 O ARG A 90 6.044 6.121 13.747 1.00 0.00 O ATOM 1356 CB ARG A 90 6.828 7.133 10.887 1.00 0.00 C ATOM 1357 CG ARG A 90 7.482 8.230 11.730 1.00 0.00 C ATOM 1358 CD ARG A 90 7.074 9.702 11.637 1.00 0.00 C ATOM 1359 NE ARG A 90 5.589 9.753 11.738 1.00 0.00 N ATOM 1360 CZ ARG A 90 4.816 9.832 12.861 1.00 0.00 C ATOM 1361 NH1 ARG A 90 5.357 9.996 14.103 1.00 0.00 N ATOM 1362 NH2 ARG A 90 3.457 9.763 12.752 1.00 0.00 N ATOM 0 H ARG A 90 5.808 5.309 9.753 1.00 0.00 H new ATOM 0 HA ARG A 90 7.799 5.436 11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.348 7.082 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.801 7.432 10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.354 7.938 12.772 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.550 8.190 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.534 10.280 12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.411 10.136 10.696 1.00 0.00 H new ATOM 0 HE ARG A 90 5.083 9.725 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.369 10.064 14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.750 10.051 14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.024 9.653 11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.875 9.821 13.587 1.00 0.00 H new ATOM 1376 N VAL A 91 4.539 5.384 12.324 1.00 0.00 N ATOM 1377 CA VAL A 91 3.488 5.287 13.289 1.00 0.00 C ATOM 1378 C VAL A 91 3.641 4.110 14.191 1.00 0.00 C ATOM 1379 O VAL A 91 3.562 4.203 15.415 1.00 0.00 O ATOM 1380 CB VAL A 91 2.213 5.073 12.529 1.00 0.00 C ATOM 1381 CG1 VAL A 91 0.984 4.584 13.313 1.00 0.00 C ATOM 1382 CG2 VAL A 91 1.668 6.418 12.018 1.00 0.00 C ATOM 0 H VAL A 91 4.230 5.169 11.376 1.00 0.00 H new ATOM 0 HA VAL A 91 3.501 6.194 13.894 1.00 0.00 H new ATOM 0 HB VAL A 91 2.536 4.329 11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.139 4.475 12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.206 3.621 13.774 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.735 5.309 14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.742 6.250 11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.473 7.077 12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.402 6.882 11.359 1.00 0.00 H new ATOM 1392 N PHE A 92 3.999 2.948 13.615 1.00 0.00 N ATOM 1393 CA PHE A 92 4.443 1.770 14.294 1.00 0.00 C ATOM 1394 C PHE A 92 5.709 1.888 15.071 1.00 0.00 C ATOM 1395 O PHE A 92 5.659 1.589 16.263 1.00 0.00 O ATOM 1396 CB PHE A 92 4.536 0.542 13.373 1.00 0.00 C ATOM 1397 CG PHE A 92 3.196 0.169 12.837 1.00 0.00 C ATOM 1398 CD1 PHE A 92 2.069 0.148 13.624 1.00 0.00 C ATOM 1399 CD2 PHE A 92 3.035 -0.144 11.508 1.00 0.00 C ATOM 1400 CE1 PHE A 92 0.928 -0.502 13.215 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.881 -0.695 11.003 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.834 -0.834 11.884 1.00 0.00 C ATOM 0 H PHE A 92 3.976 2.824 12.603 1.00 0.00 H new ATOM 0 HA PHE A 92 3.648 1.632 15.026 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.215 0.754 12.547 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.957 -0.299 13.924 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.080 0.651 14.580 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.852 0.052 10.830 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.138 -0.742 13.911 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.801 -1.002 9.971 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.104 -1.221 11.514 1.00 0.00 H new ATOM 1412 N ASP A 93 6.762 2.464 14.463 1.00 0.00 N ATOM 1413 CA ASP A 93 8.051 2.530 15.079 1.00 0.00 C ATOM 1414 C ASP A 93 8.158 3.650 16.057 1.00 0.00 C ATOM 1415 O ASP A 93 8.325 4.819 15.716 1.00 0.00 O ATOM 1416 CB ASP A 93 9.088 2.631 13.948 1.00 0.00 C ATOM 1417 CG ASP A 93 10.539 2.479 14.380 1.00 0.00 C ATOM 1418 OD1 ASP A 93 10.753 1.595 15.253 1.00 0.00 O ATOM 1419 OD2 ASP A 93 11.549 3.025 13.860 1.00 0.00 O ATOM 0 H ASP A 93 6.719 2.888 13.536 1.00 0.00 H new ATOM 0 HA ASP A 93 8.231 1.634 15.672 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.866 1.866 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.972 3.597 13.456 1.00 0.00 H new ATOM 1424 N LYS A 94 8.104 3.283 17.350 1.00 0.00 N ATOM 1425 CA LYS A 94 8.170 4.226 18.423 1.00 0.00 C ATOM 1426 C LYS A 94 9.484 4.772 18.866 1.00 0.00 C ATOM 1427 O LYS A 94 9.619 5.992 18.937 1.00 0.00 O ATOM 1428 CB LYS A 94 7.542 3.521 19.637 1.00 0.00 C ATOM 1429 CG LYS A 94 7.239 4.392 20.858 1.00 0.00 C ATOM 1430 CD LYS A 94 6.140 3.800 21.742 1.00 0.00 C ATOM 1431 CE LYS A 94 6.183 4.497 23.103 1.00 0.00 C ATOM 1432 NZ LYS A 94 4.930 4.103 23.786 1.00 0.00 N ATOM 0 H LYS A 94 8.013 2.314 17.656 1.00 0.00 H new ATOM 0 HA LYS A 94 7.668 5.109 18.028 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.612 3.052 19.315 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.212 2.720 19.949 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.148 4.515 21.447 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.938 5.385 20.526 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.164 3.938 21.276 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.287 2.727 21.861 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.057 4.187 23.676 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.245 5.579 22.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.740 4.760 24.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.141 4.134 23.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.027 3.138 24.160 1.00 0.00 H new ATOM 1446 N ASP A 95 10.574 3.996 19.002 1.00 0.00 N ATOM 1447 CA ASP A 95 11.874 4.437 19.399 1.00 0.00 C ATOM 1448 C ASP A 95 12.419 5.342 18.348 1.00 0.00 C ATOM 1449 O ASP A 95 12.989 6.412 18.559 1.00 0.00 O ATOM 1450 CB ASP A 95 12.765 3.301 19.929 1.00 0.00 C ATOM 1451 CG ASP A 95 12.619 2.112 18.989 1.00 0.00 C ATOM 1452 OD1 ASP A 95 12.661 2.323 17.748 1.00 0.00 O ATOM 1453 OD2 ASP A 95 12.231 1.010 19.460 1.00 0.00 O ATOM 0 H ASP A 95 10.543 2.992 18.822 1.00 0.00 H new ATOM 0 HA ASP A 95 11.824 5.055 20.296 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.805 3.623 19.977 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.469 3.025 20.941 1.00 0.00 H new ATOM 1458 N GLY A 96 12.132 4.911 17.107 1.00 0.00 N ATOM 1459 CA GLY A 96 12.679 5.538 15.944 1.00 0.00 C ATOM 1460 C GLY A 96 13.853 4.946 15.243 1.00 0.00 C ATOM 1461 O GLY A 96 14.681 5.708 14.747 1.00 0.00 O ATOM 0 H GLY A 96 11.516 4.122 16.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.874 5.616 15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.953 6.555 16.226 1.00 0.00 H new ATOM 1465 N ASN A 97 14.118 3.638 15.413 1.00 0.00 N ATOM 1466 CA ASN A 97 15.305 3.047 14.879 1.00 0.00 C ATOM 1467 C ASN A 97 15.177 2.481 13.507 1.00 0.00 C ATOM 1468 O ASN A 97 16.183 2.219 12.849 1.00 0.00 O ATOM 1469 CB ASN A 97 15.937 2.005 15.818 1.00 0.00 C ATOM 1470 CG ASN A 97 15.114 0.801 16.252 1.00 0.00 C ATOM 1471 OD1 ASN A 97 13.951 0.544 15.945 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.765 -0.157 16.965 1.00 0.00 N ATOM 0 H ASN A 97 13.512 2.992 15.919 1.00 0.00 H new ATOM 0 HA ASN A 97 15.976 3.902 14.795 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.837 1.629 15.332 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.256 2.527 16.720 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.286 -1.023 17.212 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.732 -0.009 17.253 1.00 0.00 H new ATOM 1479 N GLY A 98 13.984 2.286 12.916 1.00 0.00 N ATOM 1480 CA GLY A 98 13.846 1.757 11.595 1.00 0.00 C ATOM 1481 C GLY A 98 13.495 0.310 11.533 1.00 0.00 C ATOM 1482 O GLY A 98 13.494 -0.248 10.437 1.00 0.00 O ATOM 0 H GLY A 98 13.095 2.501 13.367 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.078 2.325 11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.781 1.913 11.057 1.00 0.00 H new ATOM 1486 N TYR A 99 13.072 -0.204 12.701 1.00 0.00 N ATOM 1487 CA TYR A 99 12.851 -1.587 12.993 1.00 0.00 C ATOM 1488 C TYR A 99 11.765 -1.791 13.993 1.00 0.00 C ATOM 1489 O TYR A 99 11.755 -1.288 15.115 1.00 0.00 O ATOM 1490 CB TYR A 99 14.083 -2.326 13.544 1.00 0.00 C ATOM 1491 CG TYR A 99 15.309 -2.272 12.699 1.00 0.00 C ATOM 1492 CD1 TYR A 99 16.063 -1.122 12.665 1.00 0.00 C ATOM 1493 CD2 TYR A 99 15.559 -3.318 11.842 1.00 0.00 C ATOM 1494 CE1 TYR A 99 17.119 -1.051 11.788 1.00 0.00 C ATOM 1495 CE2 TYR A 99 16.603 -3.134 10.966 1.00 0.00 C ATOM 1496 CZ TYR A 99 17.466 -2.065 10.926 1.00 0.00 C ATOM 1497 OH TYR A 99 18.630 -2.187 10.138 1.00 0.00 O ATOM 0 H TYR A 99 12.869 0.394 13.502 1.00 0.00 H new ATOM 0 HA TYR A 99 12.584 -1.999 12.020 1.00 0.00 H new ATOM 0 HB2 TYR A 99 14.322 -1.912 14.524 1.00 0.00 H new ATOM 0 HB3 TYR A 99 13.817 -3.372 13.696 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.830 -0.291 13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.973 -4.225 11.856 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.710 -0.147 11.775 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.761 -3.911 10.233 1.00 0.00 H new ATOM 0 HH TYR A 99 18.593 -3.022 9.627 1.00 0.00 H new ATOM 1507 N ILE A 100 10.601 -2.355 13.625 1.00 0.00 N ATOM 1508 CA ILE A 100 9.458 -2.602 14.448 1.00 0.00 C ATOM 1509 C ILE A 100 9.664 -3.830 15.266 1.00 0.00 C ATOM 1510 O ILE A 100 9.994 -4.913 14.787 1.00 0.00 O ATOM 1511 CB ILE A 100 8.180 -2.584 13.663 1.00 0.00 C ATOM 1512 CG1 ILE A 100 7.886 -1.332 12.819 1.00 0.00 C ATOM 1513 CG2 ILE A 100 6.973 -2.746 14.602 1.00 0.00 C ATOM 1514 CD1 ILE A 100 6.975 -1.650 11.634 1.00 0.00 C ATOM 0 H ILE A 100 10.448 -2.665 12.665 1.00 0.00 H new ATOM 0 HA ILE A 100 9.348 -1.780 15.155 1.00 0.00 H new ATOM 0 HB ILE A 100 8.327 -3.411 12.968 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.417 -0.573 13.445 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.823 -0.910 12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.053 -2.731 14.018 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.050 -3.695 15.133 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.959 -1.927 15.321 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.791 -0.740 11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.456 -2.390 10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.028 -2.047 11.999 1.00 0.00 H new ATOM 1526 N SER A 101 9.486 -3.713 16.594 1.00 0.00 N ATOM 1527 CA SER A 101 9.387 -4.792 17.527 1.00 0.00 C ATOM 1528 C SER A 101 7.937 -5.093 17.695 1.00 0.00 C ATOM 1529 O SER A 101 6.993 -4.368 17.385 1.00 0.00 O ATOM 1530 CB SER A 101 9.981 -4.539 18.923 1.00 0.00 C ATOM 1531 OG SER A 101 9.357 -3.439 19.569 1.00 0.00 O ATOM 0 H SER A 101 9.406 -2.802 17.046 1.00 0.00 H new ATOM 0 HA SER A 101 9.976 -5.608 17.108 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.865 -5.434 19.535 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.051 -4.350 18.834 1.00 0.00 H new ATOM 0 HG SER A 101 9.454 -2.636 19.015 1.00 0.00 H new ATOM 1537 N ALA A 102 7.641 -6.379 17.955 1.00 0.00 N ATOM 1538 CA ALA A 102 6.339 -6.876 18.273 1.00 0.00 C ATOM 1539 C ALA A 102 5.549 -6.128 19.293 1.00 0.00 C ATOM 1540 O ALA A 102 4.328 -6.246 19.214 1.00 0.00 O ATOM 1541 CB ALA A 102 6.476 -8.362 18.644 1.00 0.00 C ATOM 0 H ALA A 102 8.350 -7.112 17.942 1.00 0.00 H new ATOM 0 HA ALA A 102 5.739 -6.726 17.376 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.495 -8.767 18.892 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.893 -8.911 17.799 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.138 -8.463 19.504 1.00 0.00 H new ATOM 1547 N ALA A 103 6.131 -5.446 20.295 1.00 0.00 N ATOM 1548 CA ALA A 103 5.397 -4.677 21.252 1.00 0.00 C ATOM 1549 C ALA A 103 5.072 -3.303 20.777 1.00 0.00 C ATOM 1550 O ALA A 103 4.139 -2.666 21.262 1.00 0.00 O ATOM 1551 CB ALA A 103 6.361 -4.583 22.446 1.00 0.00 C ATOM 0 H ALA A 103 7.140 -5.429 20.444 1.00 0.00 H new ATOM 0 HA ALA A 103 4.436 -5.142 21.472 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.895 -4.008 23.246 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.592 -5.585 22.807 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.281 -4.089 22.133 1.00 0.00 H new ATOM 1557 N GLU A 104 5.843 -2.753 19.822 1.00 0.00 N ATOM 1558 CA GLU A 104 5.406 -1.511 19.263 1.00 0.00 C ATOM 1559 C GLU A 104 4.173 -1.695 18.446 1.00 0.00 C ATOM 1560 O GLU A 104 3.266 -0.868 18.527 1.00 0.00 O ATOM 1561 CB GLU A 104 6.514 -0.855 18.422 1.00 0.00 C ATOM 1562 CG GLU A 104 7.756 -0.498 19.241 1.00 0.00 C ATOM 1563 CD GLU A 104 8.973 -0.266 18.356 1.00 0.00 C ATOM 1564 OE1 GLU A 104 9.621 -1.209 17.829 1.00 0.00 O ATOM 1565 OE2 GLU A 104 9.404 0.894 18.117 1.00 0.00 O ATOM 0 H GLU A 104 6.714 -3.137 19.455 1.00 0.00 H new ATOM 0 HA GLU A 104 5.172 -0.845 20.093 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.799 -1.531 17.616 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.121 0.049 17.956 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.558 0.399 19.828 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.968 -1.301 19.947 1.00 0.00 H new ATOM 1572 N LEU A 105 4.126 -2.790 17.667 1.00 0.00 N ATOM 1573 CA LEU A 105 3.007 -3.083 16.827 1.00 0.00 C ATOM 1574 C LEU A 105 1.842 -3.399 17.701 1.00 0.00 C ATOM 1575 O LEU A 105 0.676 -3.196 17.367 1.00 0.00 O ATOM 1576 CB LEU A 105 3.341 -4.121 15.742 1.00 0.00 C ATOM 1577 CG LEU A 105 2.184 -4.523 14.812 1.00 0.00 C ATOM 1578 CD1 LEU A 105 2.483 -4.006 13.395 1.00 0.00 C ATOM 1579 CD2 LEU A 105 1.862 -6.025 14.750 1.00 0.00 C ATOM 0 H LEU A 105 4.874 -3.481 17.619 1.00 0.00 H new ATOM 0 HA LEU A 105 2.729 -2.214 16.230 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.153 -3.728 15.130 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.716 -5.020 16.231 1.00 0.00 H new ATOM 0 HG LEU A 105 1.294 -4.065 15.243 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.669 -4.285 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.579 -2.920 13.416 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.414 -4.445 13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.031 -6.191 14.065 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.737 -6.571 14.398 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.589 -6.380 15.744 1.00 0.00 H new ATOM 1591 N ARG A 106 2.029 -3.797 18.972 1.00 0.00 N ATOM 1592 CA ARG A 106 0.980 -4.069 19.905 1.00 0.00 C ATOM 1593 C ARG A 106 0.380 -2.858 20.533 1.00 0.00 C ATOM 1594 O ARG A 106 -0.836 -2.792 20.707 1.00 0.00 O ATOM 1595 CB ARG A 106 1.488 -5.059 20.966 1.00 0.00 C ATOM 1596 CG ARG A 106 0.390 -5.672 21.837 1.00 0.00 C ATOM 1597 CD ARG A 106 1.080 -6.691 22.745 1.00 0.00 C ATOM 1598 NE ARG A 106 0.089 -7.612 23.371 1.00 0.00 N ATOM 1599 CZ ARG A 106 0.280 -8.963 23.419 1.00 0.00 C ATOM 1600 NH1 ARG A 106 1.478 -9.569 23.175 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -0.806 -9.753 23.662 1.00 0.00 N ATOM 0 H ARG A 106 2.958 -3.936 19.368 1.00 0.00 H new ATOM 0 HA ARG A 106 0.162 -4.513 19.337 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.029 -5.862 20.466 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.202 -4.547 21.611 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.113 -4.905 22.426 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.371 -6.152 21.222 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.802 -7.268 22.167 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.638 -6.170 23.523 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.760 -7.220 23.777 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.296 -9.006 22.941 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.556 -10.585 23.227 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.724 -9.330 23.801 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.700 -10.767 23.705 1.00 0.00 H new ATOM 1615 N HIS A 107 1.261 -1.934 20.955 1.00 0.00 N ATOM 1616 CA HIS A 107 1.012 -0.594 21.389 1.00 0.00 C ATOM 1617 C HIS A 107 0.166 0.259 20.508 1.00 0.00 C ATOM 1618 O HIS A 107 -0.635 1.053 20.997 1.00 0.00 O ATOM 1619 CB HIS A 107 2.338 0.143 21.643 1.00 0.00 C ATOM 1620 CG HIS A 107 2.137 1.553 22.115 1.00 0.00 C ATOM 1621 ND1 HIS A 107 1.467 1.994 23.239 1.00 0.00 N ATOM 1622 CD2 HIS A 107 2.795 2.623 21.594 1.00 0.00 C ATOM 1623 CE1 HIS A 107 1.689 3.335 23.266 1.00 0.00 C ATOM 1624 NE2 HIS A 107 2.402 3.774 22.245 1.00 0.00 N ATOM 0 H HIS A 107 2.256 -2.153 20.995 1.00 0.00 H new ATOM 0 HA HIS A 107 0.428 -0.737 22.298 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.917 -0.405 22.386 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.925 0.152 20.725 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.516 2.578 20.792 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.317 3.980 24.048 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.613 4.740 21.995 1.00 0.00 H new ATOM 1632 N VAL A 108 0.318 0.210 19.173 1.00 0.00 N ATOM 1633 CA VAL A 108 -0.395 1.028 18.241 1.00 0.00 C ATOM 1634 C VAL A 108 -1.819 0.621 18.076 1.00 0.00 C ATOM 1635 O VAL A 108 -2.746 1.420 18.194 1.00 0.00 O ATOM 1636 CB VAL A 108 0.254 1.101 16.891 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -0.546 2.008 15.941 1.00 0.00 C ATOM 1638 CG2 VAL A 108 1.621 1.802 16.981 1.00 0.00 C ATOM 0 H VAL A 108 0.970 -0.431 18.721 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.365 2.021 18.689 1.00 0.00 H new ATOM 0 HB VAL A 108 0.321 0.072 16.539 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.053 2.043 14.970 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.554 1.611 15.822 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.599 3.014 16.357 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.074 1.844 15.991 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.486 2.814 17.362 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.272 1.245 17.655 1.00 0.00 H new ATOM 1648 N MET A 109 -2.044 -0.702 17.976 1.00 0.00 N ATOM 1649 CA MET A 109 -3.327 -1.331 18.040 1.00 0.00 C ATOM 1650 C MET A 109 -4.106 -1.094 19.288 1.00 0.00 C ATOM 1651 O MET A 109 -5.282 -0.743 19.206 1.00 0.00 O ATOM 1652 CB MET A 109 -3.320 -2.844 17.762 1.00 0.00 C ATOM 1653 CG MET A 109 -2.771 -3.308 16.411 1.00 0.00 C ATOM 1654 SD MET A 109 -3.927 -2.924 15.062 1.00 0.00 S ATOM 1655 CE MET A 109 -3.243 -4.085 13.845 1.00 0.00 C ATOM 0 H MET A 109 -1.285 -1.371 17.843 1.00 0.00 H new ATOM 0 HA MET A 109 -3.833 -0.817 17.223 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.738 -3.328 18.546 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.343 -3.208 17.853 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.813 -2.825 16.220 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.587 -4.382 16.440 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.237 -3.618 12.860 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.224 -4.350 14.127 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.857 -4.985 13.816 1.00 0.00 H new ATOM 1665 N THR A 110 -3.481 -1.075 20.478 1.00 0.00 N ATOM 1666 CA THR A 110 -4.055 -0.572 21.688 1.00 0.00 C ATOM 1667 C THR A 110 -4.361 0.886 21.690 1.00 0.00 C ATOM 1668 O THR A 110 -5.376 1.189 22.315 1.00 0.00 O ATOM 1669 CB THR A 110 -3.383 -0.904 22.987 1.00 0.00 C ATOM 1670 OG1 THR A 110 -2.005 -0.564 23.035 1.00 0.00 O ATOM 1671 CG2 THR A 110 -3.350 -2.432 23.161 1.00 0.00 C ATOM 0 H THR A 110 -2.532 -1.426 20.603 1.00 0.00 H new ATOM 0 HA THR A 110 -4.977 -1.153 21.657 1.00 0.00 H new ATOM 0 HB THR A 110 -3.949 -0.350 23.736 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.774 -0.023 22.251 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.863 -2.680 24.104 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.369 -2.820 23.166 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.795 -2.880 22.337 1.00 0.00 H new ATOM 1679 N ASN A 111 -3.632 1.816 21.048 1.00 0.00 N ATOM 1680 CA ASN A 111 -4.013 3.193 20.991 1.00 0.00 C ATOM 1681 C ASN A 111 -5.359 3.301 20.361 1.00 0.00 C ATOM 1682 O ASN A 111 -6.221 4.113 20.693 1.00 0.00 O ATOM 1683 CB ASN A 111 -3.096 4.173 20.241 1.00 0.00 C ATOM 1684 CG ASN A 111 -1.774 4.233 20.994 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -1.777 4.301 22.222 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -0.608 4.154 20.299 1.00 0.00 N ATOM 0 H ASN A 111 -2.761 1.608 20.559 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.964 3.497 22.037 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.938 3.841 19.215 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.553 5.161 20.189 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.283 4.150 20.796 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.624 4.098 19.281 1.00 0.00 H new ATOM 1693 N LEU A 112 -5.588 2.515 19.294 1.00 0.00 N ATOM 1694 CA LEU A 112 -6.748 2.500 18.459 1.00 0.00 C ATOM 1695 C LEU A 112 -7.889 1.838 19.153 1.00 0.00 C ATOM 1696 O LEU A 112 -9.084 2.041 18.946 1.00 0.00 O ATOM 1697 CB LEU A 112 -6.455 1.701 17.178 1.00 0.00 C ATOM 1698 CG LEU A 112 -5.514 2.569 16.324 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -4.695 1.933 15.189 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -6.191 3.826 15.752 1.00 0.00 C ATOM 0 H LEU A 112 -4.897 1.829 18.990 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.004 3.533 18.224 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.990 0.744 17.416 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.377 1.482 16.638 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.786 2.794 17.103 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.092 2.699 14.701 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.041 1.164 15.599 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.370 1.484 14.460 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.470 4.391 15.161 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.028 3.532 15.119 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.555 4.447 16.570 1.00 0.00 H new ATOM 1712 N GLY A 113 -7.571 0.940 20.102 1.00 0.00 N ATOM 1713 CA GLY A 113 -8.554 0.203 20.835 1.00 0.00 C ATOM 1714 C GLY A 113 -8.668 -1.184 20.303 1.00 0.00 C ATOM 1715 O GLY A 113 -9.572 -1.930 20.677 1.00 0.00 O ATOM 0 H GLY A 113 -6.610 0.721 20.366 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.283 0.173 21.890 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.519 0.705 20.768 1.00 0.00 H new ATOM 1719 N GLU A 114 -7.747 -1.653 19.443 1.00 0.00 N ATOM 1720 CA GLU A 114 -7.817 -3.015 19.013 1.00 0.00 C ATOM 1721 C GLU A 114 -6.993 -3.885 19.899 1.00 0.00 C ATOM 1722 O GLU A 114 -6.217 -3.404 20.723 1.00 0.00 O ATOM 1723 CB GLU A 114 -7.247 -2.997 17.585 1.00 0.00 C ATOM 1724 CG GLU A 114 -7.325 -4.289 16.770 1.00 0.00 C ATOM 1725 CD GLU A 114 -8.729 -4.789 16.465 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -9.293 -5.466 17.366 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -9.273 -4.581 15.348 1.00 0.00 O ATOM 0 H GLU A 114 -6.976 -1.109 19.055 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.832 -3.412 19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.766 -2.217 17.027 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.199 -2.702 17.646 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.800 -4.135 15.827 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.789 -5.070 17.309 1.00 0.00 H new ATOM 1734 N LYS A 115 -7.158 -5.217 19.813 1.00 0.00 N ATOM 1735 CA LYS A 115 -6.763 -6.177 20.797 1.00 0.00 C ATOM 1736 C LYS A 115 -6.236 -7.358 20.057 1.00 0.00 C ATOM 1737 O LYS A 115 -6.965 -8.338 19.915 1.00 0.00 O ATOM 1738 CB LYS A 115 -7.835 -6.594 21.818 1.00 0.00 C ATOM 1739 CG LYS A 115 -8.613 -5.424 22.423 1.00 0.00 C ATOM 1740 CD LYS A 115 -9.573 -5.915 23.508 1.00 0.00 C ATOM 1741 CE LYS A 115 -10.761 -6.791 23.107 1.00 0.00 C ATOM 1742 NZ LYS A 115 -11.565 -5.944 22.197 1.00 0.00 N ATOM 0 H LYS A 115 -7.597 -5.652 19.001 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.012 -5.701 21.428 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -8.538 -7.272 21.334 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.357 -7.153 22.623 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.918 -4.699 22.847 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.172 -4.910 21.641 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.986 -6.471 24.239 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.969 -5.037 24.018 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.430 -7.703 22.610 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -11.340 -7.096 23.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.498 -6.379 22.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -11.684 -5.000 22.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.078 -5.857 21.282 1.00 0.00 H new ATOM 1756 N LEU A 116 -4.961 -7.334 19.628 1.00 0.00 N ATOM 1757 CA LEU A 116 -4.274 -8.484 19.128 1.00 0.00 C ATOM 1758 C LEU A 116 -4.003 -9.459 20.222 1.00 0.00 C ATOM 1759 O LEU A 116 -3.706 -9.079 21.353 1.00 0.00 O ATOM 1760 CB LEU A 116 -3.008 -8.222 18.296 1.00 0.00 C ATOM 1761 CG LEU A 116 -3.047 -7.102 17.243 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -1.683 -6.947 16.549 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -4.220 -7.333 16.276 1.00 0.00 C ATOM 0 H LEU A 116 -4.391 -6.488 19.629 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.972 -8.910 18.407 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.196 -8.000 18.988 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.748 -9.149 17.786 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.231 -6.144 17.730 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.740 -6.148 15.810 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.923 -6.701 17.291 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.418 -7.881 16.054 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.241 -6.536 15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.095 -8.293 15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.156 -7.334 16.834 1.00 0.00 H new ATOM 1775 N THR A 117 -4.087 -10.755 19.870 1.00 0.00 N ATOM 1776 CA THR A 117 -3.496 -11.743 20.717 1.00 0.00 C ATOM 1777 C THR A 117 -2.061 -11.865 20.334 1.00 0.00 C ATOM 1778 O THR A 117 -1.538 -11.407 19.319 1.00 0.00 O ATOM 1779 CB THR A 117 -4.162 -13.087 20.723 1.00 0.00 C ATOM 1780 OG1 THR A 117 -4.176 -13.614 19.405 1.00 0.00 O ATOM 1781 CG2 THR A 117 -5.593 -12.898 21.253 1.00 0.00 C ATOM 0 H THR A 117 -4.546 -11.110 19.031 1.00 0.00 H new ATOM 0 HA THR A 117 -3.624 -11.396 21.742 1.00 0.00 H new ATOM 0 HB THR A 117 -3.624 -13.789 21.360 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.022 -13.381 18.969 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.105 -13.860 21.270 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.556 -12.489 22.263 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.134 -12.210 20.603 1.00 0.00 H new ATOM 1789 N ASP A 118 -1.264 -12.512 21.203 1.00 0.00 N ATOM 1790 CA ASP A 118 0.091 -12.852 20.896 1.00 0.00 C ATOM 1791 C ASP A 118 0.392 -13.615 19.652 1.00 0.00 C ATOM 1792 O ASP A 118 1.295 -13.301 18.879 1.00 0.00 O ATOM 1793 CB ASP A 118 0.704 -13.633 22.071 1.00 0.00 C ATOM 1794 CG ASP A 118 0.813 -12.701 23.269 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -0.218 -12.383 23.920 1.00 0.00 O ATOM 1796 OD2 ASP A 118 1.935 -12.145 23.409 1.00 0.00 O ATOM 0 H ASP A 118 -1.565 -12.804 22.133 1.00 0.00 H new ATOM 0 HA ASP A 118 0.527 -11.869 20.716 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.084 -14.495 22.317 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.688 -14.016 21.799 1.00 0.00 H new ATOM 1801 N GLU A 119 -0.481 -14.609 19.408 1.00 0.00 N ATOM 1802 CA GLU A 119 -0.529 -15.391 18.211 1.00 0.00 C ATOM 1803 C GLU A 119 -0.683 -14.516 17.015 1.00 0.00 C ATOM 1804 O GLU A 119 0.057 -14.664 16.044 1.00 0.00 O ATOM 1805 CB GLU A 119 -1.568 -16.524 18.247 1.00 0.00 C ATOM 1806 CG GLU A 119 -1.578 -17.543 17.105 1.00 0.00 C ATOM 1807 CD GLU A 119 -2.777 -18.480 17.111 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -3.934 -17.996 16.988 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.660 -19.729 17.225 1.00 0.00 O ATOM 0 H GLU A 119 -1.194 -14.882 20.085 1.00 0.00 H new ATOM 0 HA GLU A 119 0.431 -15.902 18.137 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.429 -17.072 19.179 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.556 -16.066 18.291 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.555 -17.007 16.156 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.666 -18.138 17.157 1.00 0.00 H new ATOM 1816 N GLU A 120 -1.561 -13.498 17.015 1.00 0.00 N ATOM 1817 CA GLU A 120 -1.913 -12.533 16.019 1.00 0.00 C ATOM 1818 C GLU A 120 -0.798 -11.580 15.758 1.00 0.00 C ATOM 1819 O GLU A 120 -0.632 -11.254 14.583 1.00 0.00 O ATOM 1820 CB GLU A 120 -3.179 -11.849 16.560 1.00 0.00 C ATOM 1821 CG GLU A 120 -4.415 -12.711 16.292 1.00 0.00 C ATOM 1822 CD GLU A 120 -5.728 -12.180 16.850 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -5.883 -12.223 18.100 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -6.508 -11.649 16.016 1.00 0.00 O ATOM 0 H GLU A 120 -2.111 -13.331 17.857 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.103 -12.989 15.048 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.075 -11.676 17.631 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.301 -10.873 16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.523 -12.832 15.214 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.240 -13.703 16.709 1.00 0.00 H new ATOM 1831 N VAL A 121 -0.035 -11.119 16.765 1.00 0.00 N ATOM 1832 CA VAL A 121 1.105 -10.276 16.581 1.00 0.00 C ATOM 1833 C VAL A 121 2.132 -11.070 15.851 1.00 0.00 C ATOM 1834 O VAL A 121 2.708 -10.571 14.885 1.00 0.00 O ATOM 1835 CB VAL A 121 1.704 -9.823 17.879 1.00 0.00 C ATOM 1836 CG1 VAL A 121 3.045 -9.095 17.682 1.00 0.00 C ATOM 1837 CG2 VAL A 121 0.678 -8.851 18.484 1.00 0.00 C ATOM 0 H VAL A 121 -0.219 -11.342 17.743 1.00 0.00 H new ATOM 0 HA VAL A 121 0.789 -9.387 16.035 1.00 0.00 H new ATOM 0 HB VAL A 121 1.912 -10.680 18.519 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.438 -8.787 18.651 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.756 -9.766 17.199 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.893 -8.216 17.056 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.049 -8.478 19.438 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.523 -8.015 17.802 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.267 -9.371 18.641 1.00 0.00 H new ATOM 1847 N ASP A 122 2.314 -12.336 16.267 1.00 0.00 N ATOM 1848 CA ASP A 122 3.283 -13.122 15.568 1.00 0.00 C ATOM 1849 C ASP A 122 3.014 -13.301 14.114 1.00 0.00 C ATOM 1850 O ASP A 122 3.909 -13.192 13.277 1.00 0.00 O ATOM 1851 CB ASP A 122 3.354 -14.502 16.243 1.00 0.00 C ATOM 1852 CG ASP A 122 4.658 -15.246 15.993 1.00 0.00 C ATOM 1853 OD1 ASP A 122 5.733 -14.957 16.582 1.00 0.00 O ATOM 1854 OD2 ASP A 122 4.616 -16.250 15.233 1.00 0.00 O ATOM 0 H ASP A 122 1.826 -12.794 17.037 1.00 0.00 H new ATOM 0 HA ASP A 122 4.226 -12.578 15.624 1.00 0.00 H new ATOM 0 HB2 ASP A 122 3.219 -14.377 17.317 1.00 0.00 H new ATOM 0 HB3 ASP A 122 2.525 -15.113 15.886 1.00 0.00 H new ATOM 1859 N GLU A 123 1.735 -13.458 13.729 1.00 0.00 N ATOM 1860 CA GLU A 123 1.277 -13.496 12.375 1.00 0.00 C ATOM 1861 C GLU A 123 1.608 -12.266 11.602 1.00 0.00 C ATOM 1862 O GLU A 123 2.120 -12.334 10.486 1.00 0.00 O ATOM 1863 CB GLU A 123 -0.215 -13.853 12.256 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.324 -15.355 12.526 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.743 -15.854 12.299 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -2.441 -15.442 11.334 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.129 -16.753 13.093 1.00 0.00 O ATOM 0 H GLU A 123 0.977 -13.565 14.403 1.00 0.00 H new ATOM 0 HA GLU A 123 1.838 -14.310 11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.808 -13.286 12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.595 -13.608 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.363 -15.895 11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.022 -15.566 13.552 1.00 0.00 H new ATOM 1874 N MET A 124 1.429 -11.068 12.187 1.00 0.00 N ATOM 1875 CA MET A 124 1.685 -9.791 11.597 1.00 0.00 C ATOM 1876 C MET A 124 3.136 -9.505 11.416 1.00 0.00 C ATOM 1877 O MET A 124 3.544 -8.949 10.398 1.00 0.00 O ATOM 1878 CB MET A 124 1.032 -8.667 12.418 1.00 0.00 C ATOM 1879 CG MET A 124 -0.495 -8.731 12.341 1.00 0.00 C ATOM 1880 SD MET A 124 -1.287 -8.187 10.798 1.00 0.00 S ATOM 1881 CE MET A 124 -2.810 -7.673 11.643 1.00 0.00 C ATOM 0 H MET A 124 1.080 -10.988 13.142 1.00 0.00 H new ATOM 0 HA MET A 124 1.239 -9.827 10.603 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.348 -8.744 13.458 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.376 -7.700 12.051 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.797 -9.761 12.528 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.897 -8.128 13.155 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.529 -7.311 10.908 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.234 -8.523 12.178 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.582 -6.876 12.351 1.00 0.00 H new ATOM 1891 N ILE A 125 3.946 -9.945 12.396 1.00 0.00 N ATOM 1892 CA ILE A 125 5.361 -9.780 12.280 1.00 0.00 C ATOM 1893 C ILE A 125 5.959 -10.755 11.325 1.00 0.00 C ATOM 1894 O ILE A 125 6.961 -10.529 10.648 1.00 0.00 O ATOM 1895 CB ILE A 125 6.007 -9.836 13.633 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.439 -8.727 14.536 1.00 0.00 C ATOM 1897 CG2 ILE A 125 7.539 -9.955 13.571 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.093 -7.351 14.423 1.00 0.00 C ATOM 0 H ILE A 125 3.631 -10.405 13.250 1.00 0.00 H new ATOM 0 HA ILE A 125 5.554 -8.792 11.861 1.00 0.00 H new ATOM 0 HB ILE A 125 5.737 -10.772 14.122 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.377 -8.619 14.315 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.517 -9.057 15.572 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.942 -9.991 14.583 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.812 -10.867 13.039 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.950 -9.092 13.047 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.604 -6.659 15.108 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.150 -7.428 14.678 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.992 -6.983 13.402 1.00 0.00 H new ATOM 1910 N ARG A 126 5.369 -11.961 11.243 1.00 0.00 N ATOM 1911 CA ARG A 126 5.729 -12.930 10.256 1.00 0.00 C ATOM 1912 C ARG A 126 5.495 -12.576 8.827 1.00 0.00 C ATOM 1913 O ARG A 126 6.336 -12.870 7.980 1.00 0.00 O ATOM 1914 CB ARG A 126 5.019 -14.243 10.624 1.00 0.00 C ATOM 1915 CG ARG A 126 5.579 -15.535 10.025 1.00 0.00 C ATOM 1916 CD ARG A 126 4.629 -16.724 10.188 1.00 0.00 C ATOM 1917 NE ARG A 126 4.437 -17.140 11.606 1.00 0.00 N ATOM 1918 CZ ARG A 126 3.238 -17.489 12.159 1.00 0.00 C ATOM 1919 NH1 ARG A 126 2.236 -18.073 11.440 1.00 0.00 N ATOM 1920 NH2 ARG A 126 2.966 -17.405 13.494 1.00 0.00 N ATOM 0 H ARG A 126 4.629 -12.268 11.874 1.00 0.00 H new ATOM 0 HA ARG A 126 6.816 -13.007 10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.032 -14.341 11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.974 -14.157 10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.782 -15.381 8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.531 -15.768 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.661 -16.467 9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.016 -17.569 9.619 1.00 0.00 H new ATOM 0 HE ARG A 126 5.261 -17.166 12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.366 -18.266 10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.357 -18.317 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.679 -17.066 14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.049 -17.681 13.846 1.00 0.00 H new ATOM 1934 N GLU A 127 4.419 -11.823 8.536 1.00 0.00 N ATOM 1935 CA GLU A 127 3.955 -11.306 7.285 1.00 0.00 C ATOM 1936 C GLU A 127 4.921 -10.291 6.780 1.00 0.00 C ATOM 1937 O GLU A 127 5.298 -10.241 5.610 1.00 0.00 O ATOM 1938 CB GLU A 127 2.500 -10.814 7.214 1.00 0.00 C ATOM 1939 CG GLU A 127 1.466 -11.941 7.186 1.00 0.00 C ATOM 1940 CD GLU A 127 1.675 -13.050 6.165 1.00 0.00 C ATOM 1941 OE1 GLU A 127 1.530 -12.772 4.945 1.00 0.00 O ATOM 1942 OE2 GLU A 127 1.931 -14.228 6.531 1.00 0.00 O ATOM 0 H GLU A 127 3.790 -11.540 9.287 1.00 0.00 H new ATOM 0 HA GLU A 127 3.919 -12.172 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.301 -10.173 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.378 -10.199 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.434 -12.395 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.487 -11.497 7.007 1.00 0.00 H new ATOM 1949 N ALA A 128 5.484 -9.466 7.681 1.00 0.00 N ATOM 1950 CA ALA A 128 6.599 -8.675 7.260 1.00 0.00 C ATOM 1951 C ALA A 128 7.931 -9.340 7.287 1.00 0.00 C ATOM 1952 O ALA A 128 8.643 -9.400 6.286 1.00 0.00 O ATOM 1953 CB ALA A 128 6.682 -7.405 8.124 1.00 0.00 C ATOM 0 H ALA A 128 5.188 -9.348 8.650 1.00 0.00 H new ATOM 0 HA ALA A 128 6.396 -8.466 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.532 -6.802 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.764 -6.828 8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.809 -7.684 9.170 1.00 0.00 H new ATOM 1959 N ASP A 129 8.368 -9.892 8.434 1.00 0.00 N ATOM 1960 CA ASP A 129 9.699 -10.377 8.629 1.00 0.00 C ATOM 1961 C ASP A 129 10.182 -11.334 7.595 1.00 0.00 C ATOM 1962 O ASP A 129 9.737 -12.478 7.521 1.00 0.00 O ATOM 1963 CB ASP A 129 10.024 -10.876 10.047 1.00 0.00 C ATOM 1964 CG ASP A 129 11.490 -11.259 10.198 1.00 0.00 C ATOM 1965 OD1 ASP A 129 12.373 -10.379 10.015 1.00 0.00 O ATOM 1966 OD2 ASP A 129 11.821 -12.451 10.438 1.00 0.00 O ATOM 0 H ASP A 129 7.773 -10.004 9.255 1.00 0.00 H new ATOM 0 HA ASP A 129 10.275 -9.461 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.777 -10.099 10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.399 -11.738 10.280 1.00 0.00 H new ATOM 1971 N ILE A 130 11.222 -10.949 6.834 1.00 0.00 N ATOM 1972 CA ILE A 130 12.007 -11.779 5.974 1.00 0.00 C ATOM 1973 C ILE A 130 13.232 -12.359 6.593 1.00 0.00 C ATOM 1974 O ILE A 130 13.362 -13.582 6.570 1.00 0.00 O ATOM 1975 CB ILE A 130 12.272 -11.068 4.680 1.00 0.00 C ATOM 1976 CG1 ILE A 130 10.932 -10.966 3.932 1.00 0.00 C ATOM 1977 CG2 ILE A 130 13.437 -11.644 3.858 1.00 0.00 C ATOM 1978 CD1 ILE A 130 11.003 -9.910 2.829 1.00 0.00 C ATOM 0 H ILE A 130 11.538 -9.979 6.820 1.00 0.00 H new ATOM 0 HA ILE A 130 11.407 -12.666 5.768 1.00 0.00 H new ATOM 0 HB ILE A 130 12.645 -10.064 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.678 -11.934 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.137 -10.712 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 130 13.555 -11.068 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.356 -11.589 4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 130 13.227 -12.684 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.044 -9.856 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 130 11.234 -8.940 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.782 -10.180 2.116 1.00 0.00 H new ATOM 1990 N ASP A 131 14.117 -11.518 7.156 1.00 0.00 N ATOM 1991 CA ASP A 131 15.361 -12.037 7.633 1.00 0.00 C ATOM 1992 C ASP A 131 15.470 -12.753 8.936 1.00 0.00 C ATOM 1993 O ASP A 131 16.554 -13.179 9.330 1.00 0.00 O ATOM 1994 CB ASP A 131 16.505 -11.092 7.229 1.00 0.00 C ATOM 1995 CG ASP A 131 16.630 -9.819 8.054 1.00 0.00 C ATOM 1996 OD1 ASP A 131 15.631 -9.607 8.791 1.00 0.00 O ATOM 1997 OD2 ASP A 131 17.568 -9.013 7.810 1.00 0.00 O ATOM 0 H ASP A 131 13.981 -10.515 7.279 1.00 0.00 H new ATOM 0 HA ASP A 131 15.462 -12.984 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 131 17.445 -11.640 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 131 16.371 -10.814 6.184 1.00 0.00 H new ATOM 2002 N GLY A 132 14.373 -13.075 9.644 1.00 0.00 N ATOM 2003 CA GLY A 132 14.595 -14.002 10.710 1.00 0.00 C ATOM 2004 C GLY A 132 15.031 -13.376 11.990 1.00 0.00 C ATOM 2005 O GLY A 132 15.060 -14.006 13.046 1.00 0.00 O ATOM 0 H GLY A 132 13.422 -12.735 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.676 -14.560 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 132 15.350 -14.723 10.397 1.00 0.00 H new ATOM 2009 N ASP A 133 15.218 -12.046 12.056 1.00 0.00 N ATOM 2010 CA ASP A 133 15.721 -11.428 13.244 1.00 0.00 C ATOM 2011 C ASP A 133 14.647 -11.327 14.270 1.00 0.00 C ATOM 2012 O ASP A 133 14.841 -11.476 15.476 1.00 0.00 O ATOM 2013 CB ASP A 133 16.614 -10.208 12.961 1.00 0.00 C ATOM 2014 CG ASP A 133 15.852 -9.032 12.367 1.00 0.00 C ATOM 2015 OD1 ASP A 133 14.632 -9.172 12.082 1.00 0.00 O ATOM 2016 OD2 ASP A 133 16.438 -7.921 12.264 1.00 0.00 O ATOM 0 H ASP A 133 15.022 -11.401 11.291 1.00 0.00 H new ATOM 0 HA ASP A 133 16.457 -12.069 13.730 1.00 0.00 H new ATOM 0 HB2 ASP A 133 17.091 -9.892 13.889 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.410 -10.500 12.276 1.00 0.00 H new ATOM 2021 N GLY A 134 13.382 -11.186 13.834 1.00 0.00 N ATOM 2022 CA GLY A 134 12.173 -11.093 14.592 1.00 0.00 C ATOM 2023 C GLY A 134 11.690 -9.689 14.716 1.00 0.00 C ATOM 2024 O GLY A 134 10.552 -9.474 15.130 1.00 0.00 O ATOM 0 H GLY A 134 13.189 -11.131 12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.402 -11.700 14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.338 -11.507 15.587 1.00 0.00 H new ATOM 2028 N GLN A 135 12.438 -8.722 14.157 1.00 0.00 N ATOM 2029 CA GLN A 135 12.025 -7.363 13.987 1.00 0.00 C ATOM 2030 C GLN A 135 11.662 -6.976 12.594 1.00 0.00 C ATOM 2031 O GLN A 135 12.059 -7.661 11.653 1.00 0.00 O ATOM 2032 CB GLN A 135 13.082 -6.361 14.481 1.00 0.00 C ATOM 2033 CG GLN A 135 13.416 -6.451 15.971 1.00 0.00 C ATOM 2034 CD GLN A 135 14.123 -5.230 16.541 1.00 0.00 C ATOM 2035 OE1 GLN A 135 13.591 -4.338 17.201 1.00 0.00 O ATOM 2036 NE2 GLN A 135 15.459 -5.181 16.287 1.00 0.00 N ATOM 0 H GLN A 135 13.379 -8.897 13.805 1.00 0.00 H new ATOM 0 HA GLN A 135 11.122 -7.315 14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 135 13.998 -6.512 13.910 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.733 -5.352 14.263 1.00 0.00 H new ATOM 0 HG2 GLN A 135 12.492 -6.611 16.527 1.00 0.00 H new ATOM 0 HG3 GLN A 135 14.043 -7.327 16.136 1.00 0.00 H new ATOM 0 HE21 GLN A 135 15.902 -5.920 15.740 1.00 0.00 H new ATOM 0 HE22 GLN A 135 16.018 -4.406 16.644 1.00 0.00 H new ATOM 2045 N VAL A 136 10.760 -6.011 12.341 1.00 0.00 N ATOM 2046 CA VAL A 136 10.334 -5.675 11.018 1.00 0.00 C ATOM 2047 C VAL A 136 10.997 -4.427 10.545 1.00 0.00 C ATOM 2048 O VAL A 136 10.836 -3.337 11.092 1.00 0.00 O ATOM 2049 CB VAL A 136 8.847 -5.481 10.979 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.343 -4.838 9.676 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.350 -6.923 11.182 1.00 0.00 C ATOM 0 H VAL A 136 10.317 -5.453 13.071 1.00 0.00 H new ATOM 0 HA VAL A 136 10.614 -6.500 10.362 1.00 0.00 H new ATOM 0 HB VAL A 136 8.478 -4.778 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.259 -4.729 9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.802 -3.857 9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.610 -5.472 8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.260 -6.936 11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.725 -7.554 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.712 -7.301 12.138 1.00 0.00 H new ATOM 2061 N ASN A 137 11.855 -4.469 9.510 1.00 0.00 N ATOM 2062 CA ASN A 137 12.467 -3.366 8.837 1.00 0.00 C ATOM 2063 C ASN A 137 11.549 -2.717 7.861 1.00 0.00 C ATOM 2064 O ASN A 137 10.500 -3.168 7.402 1.00 0.00 O ATOM 2065 CB ASN A 137 13.776 -3.894 8.225 1.00 0.00 C ATOM 2066 CG ASN A 137 14.469 -2.944 7.259 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.797 -1.851 7.717 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.813 -3.296 5.991 1.00 0.00 N ATOM 0 H ASN A 137 12.146 -5.360 9.108 1.00 0.00 H new ATOM 0 HA ASN A 137 12.698 -2.558 9.531 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.467 -4.132 9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 137 13.564 -4.827 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.348 -2.651 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 137 14.536 -4.205 5.621 1.00 0.00 H new ATOM 2075 N TYR A 138 12.048 -1.556 7.399 1.00 0.00 N ATOM 2076 CA TYR A 138 11.356 -0.728 6.461 1.00 0.00 C ATOM 2077 C TYR A 138 11.141 -1.446 5.174 1.00 0.00 C ATOM 2078 O TYR A 138 10.034 -1.364 4.643 1.00 0.00 O ATOM 2079 CB TYR A 138 12.217 0.541 6.339 1.00 0.00 C ATOM 2080 CG TYR A 138 11.468 1.617 5.632 1.00 0.00 C ATOM 2081 CD1 TYR A 138 11.474 1.670 4.258 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.662 2.460 6.360 1.00 0.00 C ATOM 2083 CE1 TYR A 138 10.672 2.602 3.642 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.875 3.407 5.746 1.00 0.00 C ATOM 2085 CZ TYR A 138 9.912 3.484 4.373 1.00 0.00 C ATOM 2086 OH TYR A 138 9.102 4.380 3.646 1.00 0.00 O ATOM 0 H TYR A 138 12.954 -1.184 7.684 1.00 0.00 H new ATOM 0 HA TYR A 138 10.349 -0.463 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 138 12.509 0.885 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 138 13.135 0.313 5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 138 12.091 0.999 3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 138 10.646 2.377 7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 138 10.639 2.642 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 138 9.248 4.069 6.324 1.00 0.00 H new ATOM 0 HH TYR A 138 9.029 4.076 2.717 1.00 0.00 H new ATOM 2096 N GLU A 139 12.165 -2.125 4.627 1.00 0.00 N ATOM 2097 CA GLU A 139 11.975 -2.898 3.440 1.00 0.00 C ATOM 2098 C GLU A 139 11.166 -4.138 3.610 1.00 0.00 C ATOM 2099 O GLU A 139 10.446 -4.621 2.739 1.00 0.00 O ATOM 2100 CB GLU A 139 13.292 -3.349 2.787 1.00 0.00 C ATOM 2101 CG GLU A 139 14.220 -2.244 2.280 1.00 0.00 C ATOM 2102 CD GLU A 139 14.808 -1.283 3.304 1.00 0.00 C ATOM 2103 OE1 GLU A 139 15.811 -1.592 4.000 1.00 0.00 O ATOM 2104 OE2 GLU A 139 14.214 -0.180 3.437 1.00 0.00 O ATOM 0 H GLU A 139 13.114 -2.139 5.001 1.00 0.00 H new ATOM 0 HA GLU A 139 11.435 -2.191 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.842 -3.950 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.050 -4.002 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 139 15.048 -2.718 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.670 -1.655 1.546 1.00 0.00 H new ATOM 2111 N GLU A 140 11.046 -4.671 4.840 1.00 0.00 N ATOM 2112 CA GLU A 140 10.224 -5.826 5.027 1.00 0.00 C ATOM 2113 C GLU A 140 8.757 -5.573 4.968 1.00 0.00 C ATOM 2114 O GLU A 140 7.898 -6.293 4.460 1.00 0.00 O ATOM 2115 CB GLU A 140 10.654 -6.657 6.248 1.00 0.00 C ATOM 2116 CG GLU A 140 12.157 -6.942 6.275 1.00 0.00 C ATOM 2117 CD GLU A 140 12.473 -7.671 7.573 1.00 0.00 C ATOM 2118 OE1 GLU A 140 12.304 -7.114 8.691 1.00 0.00 O ATOM 2119 OE2 GLU A 140 13.005 -8.812 7.518 1.00 0.00 O ATOM 0 H GLU A 140 11.502 -4.316 5.680 1.00 0.00 H new ATOM 0 HA GLU A 140 10.408 -6.443 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 140 10.373 -6.128 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 140 10.110 -7.602 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.445 -7.549 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.723 -6.012 6.212 1.00 0.00 H new ATOM 2126 N PHE A 141 8.358 -4.409 5.509 1.00 0.00 N ATOM 2127 CA PHE A 141 7.097 -3.737 5.451 1.00 0.00 C ATOM 2128 C PHE A 141 6.786 -3.309 4.058 1.00 0.00 C ATOM 2129 O PHE A 141 5.768 -3.697 3.487 1.00 0.00 O ATOM 2130 CB PHE A 141 7.189 -2.547 6.422 1.00 0.00 C ATOM 2131 CG PHE A 141 5.944 -1.786 6.721 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.140 -2.178 7.765 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.584 -0.665 6.011 1.00 0.00 C ATOM 2134 CE1 PHE A 141 4.014 -1.488 8.150 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.497 0.075 6.413 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.715 -0.333 7.468 1.00 0.00 C ATOM 0 H PHE A 141 9.018 -3.866 6.065 1.00 0.00 H new ATOM 0 HA PHE A 141 6.280 -4.396 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.588 -2.918 7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.920 -1.845 6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.406 -3.072 8.310 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.152 -0.367 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.389 -1.840 8.957 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.254 0.990 5.893 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.860 0.258 7.762 1.00 0.00 H new ATOM 2146 N VAL A 142 7.649 -2.507 3.409 1.00 0.00 N ATOM 2147 CA VAL A 142 7.432 -2.050 2.072 1.00 0.00 C ATOM 2148 C VAL A 142 7.282 -3.161 1.090 1.00 0.00 C ATOM 2149 O VAL A 142 6.370 -3.098 0.267 1.00 0.00 O ATOM 2150 CB VAL A 142 8.577 -1.169 1.668 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.594 -0.851 0.163 1.00 0.00 C ATOM 2152 CG2 VAL A 142 8.420 0.154 2.436 1.00 0.00 C ATOM 0 H VAL A 142 8.517 -2.169 3.823 1.00 0.00 H new ATOM 0 HA VAL A 142 6.492 -1.498 2.064 1.00 0.00 H new ATOM 0 HB VAL A 142 9.506 -1.691 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 142 9.446 -0.210 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.676 -1.778 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.672 -0.339 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.235 0.827 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.468 0.616 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 142 8.445 -0.042 3.508 1.00 0.00 H new ATOM 2162 N GLN A 143 8.009 -4.289 1.183 1.00 0.00 N ATOM 2163 CA GLN A 143 7.938 -5.335 0.212 1.00 0.00 C ATOM 2164 C GLN A 143 6.675 -6.111 0.363 1.00 0.00 C ATOM 2165 O GLN A 143 6.059 -6.339 -0.677 1.00 0.00 O ATOM 2166 CB GLN A 143 9.126 -6.312 0.259 1.00 0.00 C ATOM 2167 CG GLN A 143 10.416 -5.741 -0.332 1.00 0.00 C ATOM 2168 CD GLN A 143 11.462 -6.795 0.000 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.984 -7.490 -0.871 1.00 0.00 O ATOM 2170 NE2 GLN A 143 11.852 -6.890 1.299 1.00 0.00 N ATOM 0 H GLN A 143 8.658 -4.477 1.947 1.00 0.00 H new ATOM 0 HA GLN A 143 7.969 -4.831 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.308 -6.600 1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.860 -7.220 -0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 143 10.330 -5.587 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.666 -4.776 0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.409 -6.306 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.588 -7.545 1.564 1.00 0.00 H new ATOM 2179 N MET A 144 6.238 -6.323 1.618 1.00 0.00 N ATOM 2180 CA MET A 144 4.949 -6.808 1.999 1.00 0.00 C ATOM 2181 C MET A 144 3.763 -6.162 1.370 1.00 0.00 C ATOM 2182 O MET A 144 3.030 -6.808 0.623 1.00 0.00 O ATOM 2183 CB MET A 144 4.828 -6.927 3.528 1.00 0.00 C ATOM 2184 CG MET A 144 3.422 -6.909 4.132 1.00 0.00 C ATOM 2185 SD MET A 144 3.450 -6.882 5.950 1.00 0.00 S ATOM 2186 CE MET A 144 3.085 -5.107 6.069 1.00 0.00 C ATOM 0 H MET A 144 6.833 -6.141 2.426 1.00 0.00 H new ATOM 0 HA MET A 144 4.910 -7.806 1.562 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.312 -7.855 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.396 -6.110 3.974 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.883 -6.035 3.766 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.872 -7.787 3.793 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.044 -4.814 7.118 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.867 -4.540 5.564 1.00 0.00 H new ATOM 0 HE3 MET A 144 2.125 -4.901 5.596 1.00 0.00 H new ATOM 2196 N MET A 145 3.665 -4.827 1.504 1.00 0.00 N ATOM 2197 CA MET A 145 2.640 -3.991 0.961 1.00 0.00 C ATOM 2198 C MET A 145 2.635 -3.884 -0.525 1.00 0.00 C ATOM 2199 O MET A 145 1.625 -3.643 -1.185 1.00 0.00 O ATOM 2200 CB MET A 145 2.756 -2.592 1.588 1.00 0.00 C ATOM 2201 CG MET A 145 2.270 -2.631 3.039 1.00 0.00 C ATOM 2202 SD MET A 145 2.433 -0.937 3.679 1.00 0.00 S ATOM 2203 CE MET A 145 1.418 -1.298 5.141 1.00 0.00 C ATOM 0 H MET A 145 4.355 -4.293 2.032 1.00 0.00 H new ATOM 0 HA MET A 145 1.693 -4.468 1.213 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.791 -2.252 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.164 -1.877 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.235 -2.969 3.093 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.864 -3.328 3.629 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.334 -0.402 5.756 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.424 -1.615 4.825 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.885 -2.094 5.721 1.00 0.00 H new