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 109 MET CE :methyl -178:sc= 0 (180deg=-0.0324) USER MOD Set 1.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 MET CE :methyl -166:sc= -0.771 (180deg=-1.15) USER MOD Set 3.1: A 60 ASN : amide:sc= -0.217 K(o=-0.22,f=-3.5!) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 8 GLN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.21) USER MOD Single : A 26 THR OG1 : rot -33:sc= 0.0975 USER MOD Single : A 28 THR OG1 : rot -94:sc= 0.631 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 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 79:sc= 0.0275 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.972 USER MOD Single : A 49 GLN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1) USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.874 USER MOD Single : A 72 MET CE :methyl -160:sc= -0.146 (180deg=-0.834) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc=-0.00136 (180deg=-0.202) USER MOD Single : A 97 ASN : amide:sc= 0.235 K(o=0.23,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 107 HIS : no HD1:sc=-0.00436 X(o=-0.0044,f=0) USER MOD Single : A 110 THR OG1 : rot 99:sc= 1.34 USER MOD Single : A 111 ASN : amide:sc= 1.12 K(o=1.1,f=-0.1) USER MOD Single : A 115 LYS NZ :NH3+ -124:sc= 0.0793 (180deg=-0.298) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 135 GLN : amide:sc=-0.00554 K(o=-0.0055,f=-0.76) USER MOD Single : A 137 ASN : amide:sc= -0.187 K(o=-0.19,f=-10!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 145 MET CE :methyl -122:sc=-0.00127 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.217 15.997 0.870 1.00 0.00 N ATOM 59 CA THR A 5 -12.863 17.168 0.365 1.00 0.00 C ATOM 60 C THR A 5 -14.188 16.752 -0.174 1.00 0.00 C ATOM 61 O THR A 5 -14.385 15.577 -0.479 1.00 0.00 O ATOM 62 CB THR A 5 -12.078 17.854 -0.714 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.028 17.092 -1.911 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.664 18.224 -0.236 1.00 0.00 C ATOM 0 HA THR A 5 -12.959 17.886 1.180 1.00 0.00 H new ATOM 0 HB THR A 5 -12.608 18.779 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.509 17.577 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.125 18.719 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.733 18.896 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.130 17.320 0.056 1.00 0.00 H new ATOM 72 N GLU A 6 -15.129 17.674 -0.443 1.00 0.00 N ATOM 73 CA GLU A 6 -16.470 17.379 -0.842 1.00 0.00 C ATOM 74 C GLU A 6 -16.528 16.902 -2.253 1.00 0.00 C ATOM 75 O GLU A 6 -17.495 16.219 -2.583 1.00 0.00 O ATOM 76 CB GLU A 6 -17.397 18.592 -0.660 1.00 0.00 C ATOM 77 CG GLU A 6 -17.220 19.149 0.754 1.00 0.00 C ATOM 78 CD GLU A 6 -18.513 19.775 1.257 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.999 20.815 0.736 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.032 19.174 2.235 1.00 0.00 O ATOM 0 H GLU A 6 -14.945 18.675 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.821 16.578 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.162 19.359 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.435 18.300 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.912 18.350 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.425 19.894 0.759 1.00 0.00 H new ATOM 87 N GLU A 7 -15.577 17.227 -3.148 1.00 0.00 N ATOM 88 CA GLU A 7 -15.497 16.612 -4.436 1.00 0.00 C ATOM 89 C GLU A 7 -15.219 15.149 -4.387 1.00 0.00 C ATOM 90 O GLU A 7 -15.798 14.335 -5.105 1.00 0.00 O ATOM 91 CB GLU A 7 -14.388 17.316 -5.236 1.00 0.00 C ATOM 92 CG GLU A 7 -14.795 18.701 -5.744 1.00 0.00 C ATOM 93 CD GLU A 7 -14.870 19.775 -4.669 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.158 19.638 -3.639 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.551 20.804 -4.925 1.00 0.00 O ATOM 0 H GLU A 7 -14.854 17.926 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.473 16.720 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.502 17.413 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.110 16.692 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.083 19.018 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.768 18.624 -6.230 1.00 0.00 H new ATOM 102 N GLN A 8 -14.275 14.732 -3.524 1.00 0.00 N ATOM 103 CA GLN A 8 -13.907 13.374 -3.267 1.00 0.00 C ATOM 104 C GLN A 8 -15.043 12.552 -2.764 1.00 0.00 C ATOM 105 O GLN A 8 -15.310 11.469 -3.281 1.00 0.00 O ATOM 106 CB GLN A 8 -12.781 13.342 -2.220 1.00 0.00 C ATOM 107 CG GLN A 8 -11.452 13.797 -2.826 1.00 0.00 C ATOM 108 CD GLN A 8 -10.276 13.673 -1.868 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.212 14.400 -0.878 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.260 12.813 -2.147 1.00 0.00 N ATOM 0 H GLN A 8 -13.731 15.391 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.582 12.948 -4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.042 13.988 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.677 12.332 -1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.247 13.206 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.543 14.835 -3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.313 12.210 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.445 12.771 -1.535 1.00 0.00 H new ATOM 119 N ILE A 9 -15.772 13.115 -1.783 1.00 0.00 N ATOM 120 CA ILE A 9 -16.986 12.537 -1.296 1.00 0.00 C ATOM 121 C ILE A 9 -18.064 12.291 -2.295 1.00 0.00 C ATOM 122 O ILE A 9 -18.672 11.223 -2.359 1.00 0.00 O ATOM 123 CB ILE A 9 -17.595 13.340 -0.185 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.584 13.465 0.967 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.878 12.654 0.315 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.060 14.366 2.105 1.00 0.00 C ATOM 0 H ILE A 9 -15.514 13.987 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.633 11.563 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.848 14.334 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.375 12.472 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.645 13.856 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.315 13.243 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.592 12.576 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.638 11.657 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.296 14.406 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.242 15.370 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.983 13.965 2.525 1.00 0.00 H new ATOM 138 N ALA A 10 -18.288 13.192 -3.267 1.00 0.00 N ATOM 139 CA ALA A 10 -19.328 13.102 -4.245 1.00 0.00 C ATOM 140 C ALA A 10 -18.961 12.052 -5.237 1.00 0.00 C ATOM 141 O ALA A 10 -19.834 11.331 -5.718 1.00 0.00 O ATOM 142 CB ALA A 10 -19.550 14.465 -4.920 1.00 0.00 C ATOM 0 H ALA A 10 -17.713 14.028 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.268 12.824 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.344 14.379 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.834 15.201 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.630 14.783 -5.410 1.00 0.00 H new ATOM 148 N GLU A 11 -17.673 11.853 -5.568 1.00 0.00 N ATOM 149 CA GLU A 11 -17.196 10.743 -6.332 1.00 0.00 C ATOM 150 C GLU A 11 -17.444 9.387 -5.766 1.00 0.00 C ATOM 151 O GLU A 11 -17.987 8.497 -6.419 1.00 0.00 O ATOM 152 CB GLU A 11 -15.701 10.854 -6.678 1.00 0.00 C ATOM 153 CG GLU A 11 -15.417 12.111 -7.503 1.00 0.00 C ATOM 154 CD GLU A 11 -14.052 12.129 -8.175 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.075 11.389 -7.883 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.987 12.855 -9.203 1.00 0.00 O ATOM 0 H GLU A 11 -16.931 12.495 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.810 10.823 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.113 10.877 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.387 9.971 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.186 12.209 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.500 12.983 -6.854 1.00 0.00 H new ATOM 163 N PHE A 12 -17.096 9.305 -4.469 1.00 0.00 N ATOM 164 CA PHE A 12 -17.337 8.122 -3.703 1.00 0.00 C ATOM 165 C PHE A 12 -18.782 7.772 -3.595 1.00 0.00 C ATOM 166 O PHE A 12 -19.193 6.617 -3.502 1.00 0.00 O ATOM 167 CB PHE A 12 -16.671 8.244 -2.322 1.00 0.00 C ATOM 168 CG PHE A 12 -15.187 8.367 -2.369 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.487 7.469 -3.140 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.438 9.192 -1.564 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.115 7.470 -3.233 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.066 9.192 -1.666 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.376 8.423 -2.573 1.00 0.00 C ATOM 0 H PHE A 12 -16.647 10.060 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.882 7.290 -4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.081 9.114 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.933 7.370 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.040 6.729 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.927 9.840 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.616 6.719 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.502 9.828 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.320 8.559 -2.755 1.00 0.00 H new ATOM 183 N LYS A 13 -19.681 8.771 -3.565 1.00 0.00 N ATOM 184 CA LYS A 13 -21.095 8.628 -3.407 1.00 0.00 C ATOM 185 C LYS A 13 -21.578 8.128 -4.725 1.00 0.00 C ATOM 186 O LYS A 13 -22.287 7.124 -4.768 1.00 0.00 O ATOM 187 CB LYS A 13 -21.866 9.895 -3.000 1.00 0.00 C ATOM 188 CG LYS A 13 -23.289 9.542 -2.561 1.00 0.00 C ATOM 189 CD LYS A 13 -24.072 10.636 -1.832 1.00 0.00 C ATOM 190 CE LYS A 13 -24.025 12.001 -2.523 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.994 12.110 -3.637 1.00 0.00 N ATOM 0 H LYS A 13 -19.399 9.747 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.282 7.954 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.344 10.400 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.900 10.591 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.855 9.249 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.238 8.669 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -25.112 10.323 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.678 10.738 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.230 12.782 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.019 12.177 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.921 13.053 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.785 11.384 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.958 11.970 -3.273 1.00 0.00 H new ATOM 205 N GLU A 14 -21.073 8.519 -5.908 1.00 0.00 N ATOM 206 CA GLU A 14 -21.450 7.887 -7.134 1.00 0.00 C ATOM 207 C GLU A 14 -21.015 6.469 -7.280 1.00 0.00 C ATOM 208 O GLU A 14 -21.729 5.597 -7.772 1.00 0.00 O ATOM 209 CB GLU A 14 -21.015 8.597 -8.428 1.00 0.00 C ATOM 210 CG GLU A 14 -21.680 9.957 -8.646 1.00 0.00 C ATOM 211 CD GLU A 14 -23.200 9.926 -8.722 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.654 9.320 -9.729 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.948 10.419 -7.836 1.00 0.00 O ATOM 0 H GLU A 14 -20.400 9.277 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.533 7.949 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.934 8.732 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.242 7.953 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.385 10.623 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.294 10.389 -9.569 1.00 0.00 H new ATOM 220 N ALA A 15 -19.805 6.166 -6.777 1.00 0.00 N ATOM 221 CA ALA A 15 -19.153 4.901 -6.909 1.00 0.00 C ATOM 222 C ALA A 15 -19.912 3.922 -6.081 1.00 0.00 C ATOM 223 O ALA A 15 -20.234 2.818 -6.519 1.00 0.00 O ATOM 224 CB ALA A 15 -17.682 4.998 -6.469 1.00 0.00 C ATOM 0 H ALA A 15 -19.252 6.841 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.142 4.577 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.205 4.024 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.163 5.728 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.634 5.311 -5.426 1.00 0.00 H new ATOM 230 N PHE A 16 -20.349 4.282 -4.861 1.00 0.00 N ATOM 231 CA PHE A 16 -21.154 3.505 -3.970 1.00 0.00 C ATOM 232 C PHE A 16 -22.398 2.981 -4.601 1.00 0.00 C ATOM 233 O PHE A 16 -22.727 1.796 -4.610 1.00 0.00 O ATOM 234 CB PHE A 16 -21.421 4.419 -2.763 1.00 0.00 C ATOM 235 CG PHE A 16 -21.959 3.544 -1.684 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.986 3.098 -0.821 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.311 3.546 -1.434 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.424 2.519 0.347 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.733 2.900 -0.296 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.778 2.416 0.566 1.00 0.00 C ATOM 0 H PHE A 16 -20.119 5.194 -4.466 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.638 2.594 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.505 4.914 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.134 5.203 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.935 3.197 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.009 4.032 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.719 2.152 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.785 2.776 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.111 1.926 1.469 1.00 0.00 H new ATOM 250 N SER A 17 -23.196 3.923 -5.133 1.00 0.00 N ATOM 251 CA SER A 17 -24.366 3.568 -5.875 1.00 0.00 C ATOM 252 C SER A 17 -24.212 2.802 -7.144 1.00 0.00 C ATOM 253 O SER A 17 -25.072 2.023 -7.551 1.00 0.00 O ATOM 254 CB SER A 17 -25.072 4.868 -6.295 1.00 0.00 C ATOM 255 OG SER A 17 -25.311 5.743 -5.202 1.00 0.00 O ATOM 0 H SER A 17 -23.033 4.926 -5.050 1.00 0.00 H new ATOM 0 HA SER A 17 -24.892 2.908 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.464 5.382 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.021 4.623 -6.772 1.00 0.00 H new ATOM 0 HG SER A 17 -25.759 6.553 -5.523 1.00 0.00 H new ATOM 261 N LEU A 18 -23.058 3.001 -7.806 1.00 0.00 N ATOM 262 CA LEU A 18 -22.753 2.180 -8.937 1.00 0.00 C ATOM 263 C LEU A 18 -22.278 0.818 -8.561 1.00 0.00 C ATOM 264 O LEU A 18 -22.299 -0.162 -9.305 1.00 0.00 O ATOM 265 CB LEU A 18 -21.630 2.740 -9.825 1.00 0.00 C ATOM 266 CG LEU A 18 -22.073 3.999 -10.590 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.942 4.861 -11.174 1.00 0.00 C ATOM 268 CD2 LEU A 18 -22.950 3.594 -11.787 1.00 0.00 C ATOM 0 H LEU A 18 -22.358 3.704 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.705 2.152 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.764 2.977 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.315 1.976 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.590 4.593 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.369 5.720 -11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.295 5.207 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.359 4.267 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.263 4.487 -12.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -22.379 2.947 -12.454 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.830 3.060 -11.429 1.00 0.00 H new ATOM 280 N PHE A 19 -21.884 0.675 -7.283 1.00 0.00 N ATOM 281 CA PHE A 19 -21.539 -0.575 -6.681 1.00 0.00 C ATOM 282 C PHE A 19 -22.754 -1.354 -6.311 1.00 0.00 C ATOM 283 O PHE A 19 -22.912 -2.516 -6.682 1.00 0.00 O ATOM 284 CB PHE A 19 -20.621 -0.563 -5.447 1.00 0.00 C ATOM 285 CG PHE A 19 -19.249 -0.092 -5.783 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.619 -0.470 -6.946 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.602 0.724 -4.885 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.285 -0.165 -7.088 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.348 1.211 -5.171 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.624 0.641 -6.192 1.00 0.00 C ATOM 0 H PHE A 19 -21.802 1.464 -6.642 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.955 -1.031 -7.480 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.050 0.083 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.568 -1.566 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.156 -0.991 -7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -19.080 0.983 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.741 -0.571 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.937 2.031 -4.601 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.564 0.822 -6.287 1.00 0.00 H new ATOM 300 N ASP A 20 -23.730 -0.715 -5.641 1.00 0.00 N ATOM 301 CA ASP A 20 -24.908 -1.335 -5.120 1.00 0.00 C ATOM 302 C ASP A 20 -25.770 -1.975 -6.153 1.00 0.00 C ATOM 303 O ASP A 20 -26.338 -1.313 -7.020 1.00 0.00 O ATOM 304 CB ASP A 20 -25.722 -0.414 -4.195 1.00 0.00 C ATOM 305 CG ASP A 20 -26.700 -1.118 -3.265 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.515 -1.937 -3.768 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.678 -0.920 -2.020 1.00 0.00 O ATOM 0 H ASP A 20 -23.695 0.287 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.525 -2.149 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.028 0.169 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.278 0.292 -4.812 1.00 0.00 H new ATOM 312 N LYS A 21 -26.011 -3.296 -6.065 1.00 0.00 N ATOM 313 CA LYS A 21 -26.705 -4.200 -6.929 1.00 0.00 C ATOM 314 C LYS A 21 -28.165 -3.903 -6.903 1.00 0.00 C ATOM 315 O LYS A 21 -28.766 -3.712 -7.959 1.00 0.00 O ATOM 316 CB LYS A 21 -26.427 -5.698 -6.720 1.00 0.00 C ATOM 317 CG LYS A 21 -27.097 -6.548 -7.801 1.00 0.00 C ATOM 318 CD LYS A 21 -28.431 -7.147 -7.350 1.00 0.00 C ATOM 319 CE LYS A 21 -28.390 -8.186 -6.227 1.00 0.00 C ATOM 320 NZ LYS A 21 -29.677 -8.916 -6.200 1.00 0.00 N ATOM 0 H LYS A 21 -25.659 -3.804 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.294 -4.013 -7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.351 -5.875 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.790 -6.003 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.261 -5.935 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.423 -7.354 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -29.077 -6.329 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.905 -7.606 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.566 -8.881 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.214 -7.698 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -29.652 -9.636 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -30.451 -8.248 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.833 -9.378 -7.119 1.00 0.00 H new ATOM 334 N ASP A 22 -28.812 -3.879 -5.724 1.00 0.00 N ATOM 335 CA ASP A 22 -30.227 -3.721 -5.594 1.00 0.00 C ATOM 336 C ASP A 22 -30.658 -2.314 -5.360 1.00 0.00 C ATOM 337 O ASP A 22 -31.843 -2.086 -5.600 1.00 0.00 O ATOM 338 CB ASP A 22 -30.908 -4.599 -4.531 1.00 0.00 C ATOM 339 CG ASP A 22 -30.628 -6.089 -4.661 1.00 0.00 C ATOM 340 OD1 ASP A 22 -31.235 -6.800 -5.506 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.846 -6.629 -3.833 1.00 0.00 O ATOM 0 H ASP A 22 -28.332 -3.973 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.560 -4.061 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.585 -4.267 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.985 -4.440 -4.584 1.00 0.00 H new ATOM 346 N GLY A 23 -29.767 -1.342 -5.094 1.00 0.00 N ATOM 347 CA GLY A 23 -30.080 0.001 -4.716 1.00 0.00 C ATOM 348 C GLY A 23 -30.748 0.033 -3.385 1.00 0.00 C ATOM 349 O GLY A 23 -31.845 0.564 -3.215 1.00 0.00 O ATOM 0 H GLY A 23 -28.762 -1.506 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.168 0.597 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.730 0.453 -5.465 1.00 0.00 H new ATOM 353 N ASP A 24 -30.078 -0.500 -2.347 1.00 0.00 N ATOM 354 CA ASP A 24 -30.500 -0.404 -0.984 1.00 0.00 C ATOM 355 C ASP A 24 -29.698 0.528 -0.143 1.00 0.00 C ATOM 356 O ASP A 24 -30.213 1.230 0.726 1.00 0.00 O ATOM 357 CB ASP A 24 -30.716 -1.783 -0.338 1.00 0.00 C ATOM 358 CG ASP A 24 -29.438 -2.584 -0.547 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.373 -2.212 0.015 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.405 -3.518 -1.391 1.00 0.00 O ATOM 0 H ASP A 24 -29.207 -1.019 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.479 0.073 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.936 -1.680 0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.567 -2.291 -0.792 1.00 0.00 H new ATOM 365 N GLY A 25 -28.389 0.635 -0.433 1.00 0.00 N ATOM 366 CA GLY A 25 -27.577 1.593 0.250 1.00 0.00 C ATOM 367 C GLY A 25 -26.560 0.987 1.155 1.00 0.00 C ATOM 368 O GLY A 25 -25.897 1.755 1.851 1.00 0.00 O ATOM 0 H GLY A 25 -27.900 0.070 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.069 2.215 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.221 2.251 0.833 1.00 0.00 H new ATOM 372 N THR A 26 -26.363 -0.340 1.056 1.00 0.00 N ATOM 373 CA THR A 26 -25.221 -0.966 1.647 1.00 0.00 C ATOM 374 C THR A 26 -24.496 -1.841 0.684 1.00 0.00 C ATOM 375 O THR A 26 -25.093 -2.514 -0.156 1.00 0.00 O ATOM 376 CB THR A 26 -25.661 -1.825 2.795 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.487 -2.943 2.504 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.303 -0.942 3.878 1.00 0.00 C ATOM 0 H THR A 26 -26.992 -0.978 0.568 1.00 0.00 H new ATOM 0 HA THR A 26 -24.553 -0.168 1.972 1.00 0.00 H new ATOM 0 HB THR A 26 -24.740 -2.294 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.070 -2.731 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.623 -1.565 4.713 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.575 -0.210 4.229 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.166 -0.424 3.460 1.00 0.00 H new ATOM 386 N ILE A 27 -23.152 -1.846 0.729 1.00 0.00 N ATOM 387 CA ILE A 27 -22.305 -2.753 0.017 1.00 0.00 C ATOM 388 C ILE A 27 -22.238 -3.920 0.942 1.00 0.00 C ATOM 389 O ILE A 27 -21.905 -3.864 2.125 1.00 0.00 O ATOM 390 CB ILE A 27 -20.930 -2.287 -0.356 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.789 -0.765 -0.531 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.557 -3.029 -1.650 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.481 -0.190 -1.072 1.00 0.00 C ATOM 0 H ILE A 27 -22.627 -1.179 1.294 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.726 -2.937 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.252 -2.515 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.590 -0.436 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.971 -0.306 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.560 -2.726 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.569 -4.104 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.277 -2.784 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.557 0.896 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.662 -0.461 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.290 -0.594 -2.066 1.00 0.00 H new ATOM 405 N THR A 28 -22.593 -5.099 0.401 1.00 0.00 N ATOM 406 CA THR A 28 -22.611 -6.364 1.068 1.00 0.00 C ATOM 407 C THR A 28 -21.386 -7.147 0.738 1.00 0.00 C ATOM 408 O THR A 28 -20.474 -6.723 0.029 1.00 0.00 O ATOM 409 CB THR A 28 -23.840 -7.129 0.673 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.867 -7.333 -0.732 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.037 -6.281 1.136 1.00 0.00 C ATOM 0 H THR A 28 -22.888 -5.172 -0.573 1.00 0.00 H new ATOM 0 HA THR A 28 -22.628 -6.194 2.144 1.00 0.00 H new ATOM 0 HB THR A 28 -23.864 -8.118 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.384 -6.617 -1.157 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.965 -6.789 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.990 -6.144 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.005 -5.308 0.645 1.00 0.00 H new ATOM 419 N THR A 29 -21.266 -8.403 1.205 1.00 0.00 N ATOM 420 CA THR A 29 -20.149 -9.265 0.977 1.00 0.00 C ATOM 421 C THR A 29 -20.117 -9.775 -0.423 1.00 0.00 C ATOM 422 O THR A 29 -19.090 -9.951 -1.078 1.00 0.00 O ATOM 423 CB THR A 29 -20.027 -10.546 1.748 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.280 -10.298 3.123 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.697 -11.313 1.834 1.00 0.00 C ATOM 0 H THR A 29 -21.991 -8.841 1.774 1.00 0.00 H new ATOM 0 HA THR A 29 -19.362 -8.577 1.285 1.00 0.00 H new ATOM 0 HB THR A 29 -20.720 -11.152 1.164 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.202 -11.135 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.832 -12.209 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.375 -11.597 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.939 -10.677 2.292 1.00 0.00 H new ATOM 433 N LYS A 30 -21.290 -9.797 -1.081 1.00 0.00 N ATOM 434 CA LYS A 30 -21.652 -10.212 -2.400 1.00 0.00 C ATOM 435 C LYS A 30 -21.186 -9.131 -3.315 1.00 0.00 C ATOM 436 O LYS A 30 -20.506 -9.411 -4.301 1.00 0.00 O ATOM 437 CB LYS A 30 -23.169 -10.449 -2.480 1.00 0.00 C ATOM 438 CG LYS A 30 -23.715 -11.403 -1.416 1.00 0.00 C ATOM 439 CD LYS A 30 -25.213 -11.607 -1.653 1.00 0.00 C ATOM 440 CE LYS A 30 -25.839 -12.091 -0.344 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.603 -13.537 -0.129 1.00 0.00 N ATOM 0 H LYS A 30 -22.123 -9.464 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.190 -11.158 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.680 -9.491 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.411 -10.846 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.193 -12.359 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.543 -10.995 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.678 -10.675 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.377 -12.336 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.423 -11.526 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.911 -11.895 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.041 -13.831 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.022 -14.077 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.580 -13.720 -0.091 1.00 0.00 H new ATOM 455 N GLU A 31 -21.573 -7.880 -3.007 1.00 0.00 N ATOM 456 CA GLU A 31 -21.387 -6.680 -3.762 1.00 0.00 C ATOM 457 C GLU A 31 -19.962 -6.246 -3.730 1.00 0.00 C ATOM 458 O GLU A 31 -19.365 -5.739 -4.679 1.00 0.00 O ATOM 459 CB GLU A 31 -22.320 -5.575 -3.240 1.00 0.00 C ATOM 460 CG GLU A 31 -23.780 -5.908 -3.555 1.00 0.00 C ATOM 461 CD GLU A 31 -24.685 -4.928 -2.823 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.986 -5.003 -1.602 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.267 -4.107 -3.582 1.00 0.00 O ATOM 0 H GLU A 31 -22.069 -7.693 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.644 -6.880 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.191 -5.462 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.053 -4.621 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.955 -5.851 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.007 -6.929 -3.249 1.00 0.00 H new ATOM 470 N LEU A 32 -19.234 -6.456 -2.618 1.00 0.00 N ATOM 471 CA LEU A 32 -17.831 -6.181 -2.600 1.00 0.00 C ATOM 472 C LEU A 32 -17.049 -7.275 -3.241 1.00 0.00 C ATOM 473 O LEU A 32 -15.870 -7.084 -3.535 1.00 0.00 O ATOM 474 CB LEU A 32 -17.521 -5.852 -1.130 1.00 0.00 C ATOM 475 CG LEU A 32 -16.176 -5.139 -0.906 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.269 -3.663 -1.328 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.684 -5.295 0.543 1.00 0.00 C ATOM 0 H LEU A 32 -19.612 -6.812 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.527 -5.331 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.320 -5.225 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.527 -6.778 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.430 -5.618 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.308 -3.176 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.529 -3.602 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.036 -3.163 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.732 -4.778 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.418 -4.865 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.553 -6.353 0.771 1.00 0.00 H new ATOM 489 N GLY A 33 -17.646 -8.469 -3.405 1.00 0.00 N ATOM 490 CA GLY A 33 -17.075 -9.418 -4.311 1.00 0.00 C ATOM 491 C GLY A 33 -17.157 -8.990 -5.736 1.00 0.00 C ATOM 492 O GLY A 33 -16.175 -9.094 -6.469 1.00 0.00 O ATOM 0 H GLY A 33 -18.496 -8.772 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.030 -9.580 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.585 -10.374 -4.195 1.00 0.00 H new ATOM 496 N THR A 34 -18.344 -8.512 -6.149 1.00 0.00 N ATOM 497 CA THR A 34 -18.485 -7.818 -7.392 1.00 0.00 C ATOM 498 C THR A 34 -17.504 -6.766 -7.781 1.00 0.00 C ATOM 499 O THR A 34 -16.868 -6.839 -8.831 1.00 0.00 O ATOM 500 CB THR A 34 -19.894 -7.380 -7.661 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.725 -8.531 -7.655 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.180 -6.741 -9.031 1.00 0.00 C ATOM 0 H THR A 34 -19.211 -8.607 -5.619 1.00 0.00 H new ATOM 0 HA THR A 34 -18.198 -8.625 -8.066 1.00 0.00 H new ATOM 0 HB THR A 34 -20.077 -6.631 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.652 -8.266 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.234 -6.471 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.569 -5.846 -9.150 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.940 -7.452 -9.821 1.00 0.00 H new ATOM 510 N VAL A 35 -17.129 -5.846 -6.874 1.00 0.00 N ATOM 511 CA VAL A 35 -16.057 -4.900 -6.878 1.00 0.00 C ATOM 512 C VAL A 35 -14.743 -5.478 -7.276 1.00 0.00 C ATOM 513 O VAL A 35 -14.079 -5.003 -8.196 1.00 0.00 O ATOM 514 CB VAL A 35 -15.959 -4.191 -5.559 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.645 -3.400 -5.441 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.198 -3.284 -5.475 1.00 0.00 C ATOM 0 H VAL A 35 -17.664 -5.759 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.306 -4.173 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.940 -4.894 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.607 -2.899 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.800 -4.083 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.595 -2.657 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.185 -2.737 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.188 -2.577 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.100 -3.894 -5.529 1.00 0.00 H new ATOM 526 N MET A 36 -14.299 -6.548 -6.592 1.00 0.00 N ATOM 527 CA MET A 36 -13.068 -7.260 -6.745 1.00 0.00 C ATOM 528 C MET A 36 -13.024 -8.094 -7.979 1.00 0.00 C ATOM 529 O MET A 36 -11.983 -8.185 -8.628 1.00 0.00 O ATOM 530 CB MET A 36 -12.516 -7.967 -5.496 1.00 0.00 C ATOM 531 CG MET A 36 -12.356 -7.108 -4.239 1.00 0.00 C ATOM 532 SD MET A 36 -11.371 -5.615 -4.565 1.00 0.00 S ATOM 533 CE MET A 36 -11.412 -5.098 -2.824 1.00 0.00 C ATOM 0 H MET A 36 -14.868 -6.957 -5.851 1.00 0.00 H new ATOM 0 HA MET A 36 -12.343 -6.459 -6.885 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.175 -8.802 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.543 -8.391 -5.746 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.339 -6.821 -3.867 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.878 -7.695 -3.455 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.862 -4.164 -2.709 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.446 -4.951 -2.512 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.953 -5.869 -2.205 1.00 0.00 H new ATOM 543 N ARG A 37 -14.135 -8.747 -8.364 1.00 0.00 N ATOM 544 CA ARG A 37 -14.263 -9.660 -9.458 1.00 0.00 C ATOM 545 C ARG A 37 -14.104 -8.892 -10.725 1.00 0.00 C ATOM 546 O ARG A 37 -13.538 -9.487 -11.640 1.00 0.00 O ATOM 547 CB ARG A 37 -15.654 -10.314 -9.513 1.00 0.00 C ATOM 548 CG ARG A 37 -16.092 -11.542 -8.714 1.00 0.00 C ATOM 549 CD ARG A 37 -15.255 -12.778 -9.048 1.00 0.00 C ATOM 550 NE ARG A 37 -15.713 -13.856 -8.127 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.534 -15.195 -8.326 1.00 0.00 C ATOM 552 NH1 ARG A 37 -14.783 -15.692 -9.352 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.073 -16.138 -7.500 1.00 0.00 N ATOM 0 H ARG A 37 -15.017 -8.625 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.508 -10.436 -9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.362 -9.526 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.822 -10.566 -10.560 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.011 -11.328 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.142 -11.751 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.393 -13.071 -10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.193 -12.576 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.200 -13.570 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.329 -15.055 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.676 -16.700 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.634 -15.852 -6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.915 -17.129 -7.685 1.00 0.00 H new ATOM 567 N SER A 38 -14.482 -7.603 -10.804 1.00 0.00 N ATOM 568 CA SER A 38 -14.285 -6.729 -11.919 1.00 0.00 C ATOM 569 C SER A 38 -12.848 -6.390 -12.120 1.00 0.00 C ATOM 570 O SER A 38 -12.383 -6.323 -13.256 1.00 0.00 O ATOM 571 CB SER A 38 -15.199 -5.493 -11.867 1.00 0.00 C ATOM 572 OG SER A 38 -16.566 -5.870 -11.926 1.00 0.00 O ATOM 0 H SER A 38 -14.960 -7.139 -10.031 1.00 0.00 H new ATOM 0 HA SER A 38 -14.590 -7.280 -12.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.011 -4.935 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.965 -4.828 -12.698 1.00 0.00 H new ATOM 0 HG SER A 38 -16.856 -6.189 -11.046 1.00 0.00 H new ATOM 578 N LEU A 39 -11.971 -6.239 -11.111 1.00 0.00 N ATOM 579 CA LEU A 39 -10.583 -5.910 -11.213 1.00 0.00 C ATOM 580 C LEU A 39 -9.797 -7.107 -11.624 1.00 0.00 C ATOM 581 O LEU A 39 -8.592 -6.988 -11.837 1.00 0.00 O ATOM 582 CB LEU A 39 -10.112 -5.309 -9.878 1.00 0.00 C ATOM 583 CG LEU A 39 -10.964 -4.078 -9.527 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.811 -3.717 -8.039 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.433 -2.897 -10.358 1.00 0.00 C ATOM 0 H LEU A 39 -12.261 -6.358 -10.140 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.423 -5.160 -11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.191 -6.054 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.061 -5.027 -9.947 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.013 -4.290 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.422 -2.843 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.137 -4.557 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.766 -3.495 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.016 -2.003 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.387 -2.719 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.520 -3.131 -11.419 1.00 0.00 H new ATOM 597 N GLY A 40 -10.432 -8.286 -11.753 1.00 0.00 N ATOM 598 CA GLY A 40 -9.724 -9.491 -12.056 1.00 0.00 C ATOM 599 C GLY A 40 -9.144 -10.190 -10.875 1.00 0.00 C ATOM 600 O GLY A 40 -8.366 -11.109 -11.123 1.00 0.00 O ATOM 0 H GLY A 40 -11.440 -8.405 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.401 -10.174 -12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.919 -9.257 -12.753 1.00 0.00 H new ATOM 604 N GLN A 41 -9.634 -9.881 -9.661 1.00 0.00 N ATOM 605 CA GLN A 41 -9.420 -10.702 -8.510 1.00 0.00 C ATOM 606 C GLN A 41 -10.431 -11.794 -8.425 1.00 0.00 C ATOM 607 O GLN A 41 -11.578 -11.753 -8.869 1.00 0.00 O ATOM 608 CB GLN A 41 -9.319 -9.951 -7.171 1.00 0.00 C ATOM 609 CG GLN A 41 -8.118 -9.003 -7.192 1.00 0.00 C ATOM 610 CD GLN A 41 -8.033 -8.014 -6.038 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.823 -8.092 -5.099 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.967 -7.172 -5.980 1.00 0.00 N ATOM 0 H GLN A 41 -10.189 -9.046 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.430 -11.130 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.234 -9.387 -6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.216 -10.663 -6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.207 -9.602 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.139 -8.441 -8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.318 -7.116 -6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.816 -6.597 -5.151 1.00 0.00 H new ATOM 621 N ASN A 42 -10.162 -12.956 -7.804 1.00 0.00 N ATOM 622 CA ASN A 42 -11.094 -14.004 -7.525 1.00 0.00 C ATOM 623 C ASN A 42 -11.205 -14.272 -6.064 1.00 0.00 C ATOM 624 O ASN A 42 -10.513 -15.191 -5.628 1.00 0.00 O ATOM 625 CB ASN A 42 -10.732 -15.326 -8.222 1.00 0.00 C ATOM 626 CG ASN A 42 -10.724 -15.070 -9.722 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.779 -14.853 -10.315 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.550 -15.155 -10.405 1.00 0.00 N ATOM 0 H ASN A 42 -9.223 -13.178 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.046 -13.645 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.756 -15.679 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.455 -16.102 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.540 -15.038 -11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.680 -15.335 -9.904 1.00 0.00 H new ATOM 635 N PRO A 43 -11.844 -13.499 -5.237 1.00 0.00 N ATOM 636 CA PRO A 43 -11.821 -13.729 -3.821 1.00 0.00 C ATOM 637 C PRO A 43 -12.420 -14.968 -3.249 1.00 0.00 C ATOM 638 O PRO A 43 -13.043 -15.813 -3.890 1.00 0.00 O ATOM 639 CB PRO A 43 -12.540 -12.471 -3.338 1.00 0.00 C ATOM 640 CG PRO A 43 -13.587 -12.161 -4.420 1.00 0.00 C ATOM 641 CD PRO A 43 -12.742 -12.441 -5.674 1.00 0.00 C ATOM 0 HA PRO A 43 -10.797 -13.905 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.012 -12.635 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.843 -11.642 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.463 -12.805 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.944 -11.132 -4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.360 -12.758 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.195 -11.556 -5.997 1.00 0.00 H new ATOM 649 N THR A 44 -12.322 -15.120 -1.917 1.00 0.00 N ATOM 650 CA THR A 44 -13.201 -15.945 -1.148 1.00 0.00 C ATOM 651 C THR A 44 -14.024 -15.061 -0.276 1.00 0.00 C ATOM 652 O THR A 44 -14.012 -13.835 -0.377 1.00 0.00 O ATOM 653 CB THR A 44 -12.397 -16.975 -0.409 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.480 -16.366 0.487 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.680 -17.865 -1.438 1.00 0.00 C ATOM 0 H THR A 44 -11.608 -14.654 -1.357 1.00 0.00 H new ATOM 0 HA THR A 44 -13.894 -16.507 -1.774 1.00 0.00 H new ATOM 0 HB THR A 44 -13.059 -17.591 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.747 -15.959 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.090 -18.620 -0.918 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.418 -18.355 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.022 -17.252 -2.054 1.00 0.00 H new ATOM 663 N GLU A 45 -14.768 -15.652 0.675 1.00 0.00 N ATOM 664 CA GLU A 45 -15.724 -14.857 1.381 1.00 0.00 C ATOM 665 C GLU A 45 -15.154 -14.481 2.706 1.00 0.00 C ATOM 666 O GLU A 45 -15.413 -13.380 3.188 1.00 0.00 O ATOM 667 CB GLU A 45 -16.942 -15.756 1.651 1.00 0.00 C ATOM 668 CG GLU A 45 -17.652 -16.127 0.348 1.00 0.00 C ATOM 669 CD GLU A 45 -18.599 -17.306 0.520 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.748 -17.141 1.010 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.130 -18.451 0.281 1.00 0.00 O ATOM 0 H GLU A 45 -14.715 -16.634 0.947 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.984 -13.966 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.622 -16.662 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.638 -15.242 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.211 -15.265 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.909 -16.369 -0.412 1.00 0.00 H new ATOM 678 N ALA A 46 -14.462 -15.305 3.513 1.00 0.00 N ATOM 679 CA ALA A 46 -13.799 -14.880 4.707 1.00 0.00 C ATOM 680 C ALA A 46 -12.898 -13.711 4.507 1.00 0.00 C ATOM 681 O ALA A 46 -12.709 -12.929 5.438 1.00 0.00 O ATOM 682 CB ALA A 46 -13.110 -16.072 5.394 1.00 0.00 C ATOM 0 H ALA A 46 -14.360 -16.303 3.328 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.565 -14.507 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.611 -15.730 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.856 -16.824 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.375 -16.507 4.717 1.00 0.00 H new ATOM 688 N GLU A 47 -12.149 -13.580 3.397 1.00 0.00 N ATOM 689 CA GLU A 47 -11.205 -12.546 3.104 1.00 0.00 C ATOM 690 C GLU A 47 -11.945 -11.259 2.976 1.00 0.00 C ATOM 691 O GLU A 47 -11.425 -10.194 3.303 1.00 0.00 O ATOM 692 CB GLU A 47 -10.303 -12.779 1.880 1.00 0.00 C ATOM 693 CG GLU A 47 -11.032 -13.203 0.603 1.00 0.00 C ATOM 694 CD GLU A 47 -10.006 -13.621 -0.441 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.557 -14.796 -0.519 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.739 -12.741 -1.302 1.00 0.00 O ATOM 0 H GLU A 47 -12.211 -14.259 2.639 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.503 -12.533 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.751 -11.862 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.568 -13.544 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.711 -14.029 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.639 -12.380 0.225 1.00 0.00 H new ATOM 703 N LEU A 48 -13.173 -11.253 2.426 1.00 0.00 N ATOM 704 CA LEU A 48 -13.966 -10.074 2.266 1.00 0.00 C ATOM 705 C LEU A 48 -14.641 -9.743 3.552 1.00 0.00 C ATOM 706 O LEU A 48 -14.702 -8.563 3.892 1.00 0.00 O ATOM 707 CB LEU A 48 -15.031 -10.300 1.179 1.00 0.00 C ATOM 708 CG LEU A 48 -14.584 -10.309 -0.292 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.643 -11.014 -1.158 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.344 -8.891 -0.835 1.00 0.00 C ATOM 0 H LEU A 48 -13.629 -12.098 2.081 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.316 -9.250 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.517 -11.254 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.789 -9.525 1.291 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.639 -10.849 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.319 -11.016 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.769 -12.041 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.592 -10.485 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.030 -8.949 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.266 -8.314 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.566 -8.404 -0.248 1.00 0.00 H new ATOM 722 N GLN A 49 -15.133 -10.739 4.310 1.00 0.00 N ATOM 723 CA GLN A 49 -15.890 -10.615 5.517 1.00 0.00 C ATOM 724 C GLN A 49 -15.097 -9.907 6.562 1.00 0.00 C ATOM 725 O GLN A 49 -15.567 -8.976 7.215 1.00 0.00 O ATOM 726 CB GLN A 49 -16.325 -11.985 6.063 1.00 0.00 C ATOM 727 CG GLN A 49 -17.105 -12.010 7.379 1.00 0.00 C ATOM 728 CD GLN A 49 -17.166 -13.485 7.748 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.206 -14.136 7.658 1.00 0.00 O ATOM 730 NE2 GLN A 49 -16.052 -14.093 8.238 1.00 0.00 N ATOM 0 H GLN A 49 -14.987 -11.716 4.054 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.783 -10.039 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.935 -12.471 5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.430 -12.594 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.603 -11.427 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.103 -11.588 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.180 -13.570 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.089 -15.072 8.523 1.00 0.00 H new ATOM 739 N ASP A 50 -13.816 -10.283 6.723 1.00 0.00 N ATOM 740 CA ASP A 50 -12.853 -9.617 7.544 1.00 0.00 C ATOM 741 C ASP A 50 -12.703 -8.155 7.299 1.00 0.00 C ATOM 742 O ASP A 50 -12.910 -7.314 8.172 1.00 0.00 O ATOM 743 CB ASP A 50 -11.471 -10.262 7.343 1.00 0.00 C ATOM 744 CG ASP A 50 -10.556 -9.945 8.517 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.657 -10.690 9.528 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.753 -8.977 8.441 1.00 0.00 O ATOM 0 H ASP A 50 -13.430 -11.101 6.252 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.233 -9.729 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.579 -11.342 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.024 -9.897 6.418 1.00 0.00 H new ATOM 751 N MET A 51 -12.473 -7.764 6.033 1.00 0.00 N ATOM 752 CA MET A 51 -12.277 -6.401 5.647 1.00 0.00 C ATOM 753 C MET A 51 -13.456 -5.505 5.814 1.00 0.00 C ATOM 754 O MET A 51 -13.336 -4.311 6.083 1.00 0.00 O ATOM 755 CB MET A 51 -11.840 -6.299 4.176 1.00 0.00 C ATOM 756 CG MET A 51 -11.750 -4.920 3.519 1.00 0.00 C ATOM 757 SD MET A 51 -11.174 -5.100 1.804 1.00 0.00 S ATOM 758 CE MET A 51 -11.275 -3.344 1.351 1.00 0.00 C ATOM 0 H MET A 51 -12.422 -8.418 5.252 1.00 0.00 H new ATOM 0 HA MET A 51 -11.505 -6.059 6.336 1.00 0.00 H new ATOM 0 HB2 MET A 51 -10.859 -6.767 4.092 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.532 -6.899 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.725 -4.433 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.065 -4.283 4.079 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.960 -3.217 0.315 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.302 -2.998 1.463 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.623 -2.762 2.002 1.00 0.00 H new ATOM 768 N ILE A 52 -14.649 -6.077 5.574 1.00 0.00 N ATOM 769 CA ILE A 52 -15.901 -5.425 5.807 1.00 0.00 C ATOM 770 C ILE A 52 -16.153 -5.223 7.262 1.00 0.00 C ATOM 771 O ILE A 52 -16.456 -4.135 7.749 1.00 0.00 O ATOM 772 CB ILE A 52 -17.032 -6.276 5.312 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.913 -6.302 3.779 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.438 -5.964 5.852 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.726 -7.423 3.134 1.00 0.00 C ATOM 0 H ILE A 52 -14.746 -7.023 5.206 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.849 -4.469 5.286 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.923 -7.276 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.245 -5.344 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.865 -6.417 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.158 -6.654 5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.444 -6.076 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.709 -4.941 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.600 -7.387 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.379 -8.386 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.780 -7.296 3.381 1.00 0.00 H new ATOM 787 N ASN A 53 -15.842 -6.175 8.160 1.00 0.00 N ATOM 788 CA ASN A 53 -15.906 -6.118 9.588 1.00 0.00 C ATOM 789 C ASN A 53 -15.062 -5.085 10.251 1.00 0.00 C ATOM 790 O ASN A 53 -15.451 -4.430 11.217 1.00 0.00 O ATOM 791 CB ASN A 53 -15.601 -7.423 10.341 1.00 0.00 C ATOM 792 CG ASN A 53 -16.745 -8.420 10.223 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.851 -8.162 9.750 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.478 -9.580 10.882 1.00 0.00 N ATOM 0 H ASN A 53 -15.508 -7.086 7.846 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.963 -5.863 9.671 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.688 -7.867 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.417 -7.202 11.392 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.211 -10.279 11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.545 -9.750 11.257 1.00 0.00 H new ATOM 801 N GLU A 54 -13.847 -4.849 9.724 1.00 0.00 N ATOM 802 CA GLU A 54 -12.886 -3.861 10.105 1.00 0.00 C ATOM 803 C GLU A 54 -13.415 -2.469 10.073 1.00 0.00 C ATOM 804 O GLU A 54 -13.416 -1.763 11.081 1.00 0.00 O ATOM 805 CB GLU A 54 -11.656 -4.051 9.201 1.00 0.00 C ATOM 806 CG GLU A 54 -10.576 -3.023 9.545 1.00 0.00 C ATOM 807 CD GLU A 54 -9.371 -3.260 8.645 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.943 -4.444 8.685 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.916 -2.392 7.853 1.00 0.00 O ATOM 0 H GLU A 54 -13.504 -5.414 8.947 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.614 -4.004 11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.259 -5.059 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.946 -3.947 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.959 -2.012 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.289 -3.113 10.593 1.00 0.00 H new ATOM 816 N VAL A 55 -14.002 -2.082 8.927 1.00 0.00 N ATOM 817 CA VAL A 55 -14.643 -0.817 8.739 1.00 0.00 C ATOM 818 C VAL A 55 -16.045 -0.686 9.227 1.00 0.00 C ATOM 819 O VAL A 55 -16.523 0.413 9.504 1.00 0.00 O ATOM 820 CB VAL A 55 -14.528 -0.200 7.376 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.094 0.268 7.078 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.054 -1.194 6.327 1.00 0.00 C ATOM 0 H VAL A 55 -14.032 -2.674 8.097 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.016 -0.237 9.416 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.142 0.700 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.055 0.708 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.793 1.012 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.416 -0.584 7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.973 -0.752 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.464 -2.110 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.098 -1.426 6.537 1.00 0.00 H new ATOM 832 N ASP A 56 -16.766 -1.808 9.402 1.00 0.00 N ATOM 833 CA ASP A 56 -18.084 -1.875 9.953 1.00 0.00 C ATOM 834 C ASP A 56 -18.083 -1.407 11.368 1.00 0.00 C ATOM 835 O ASP A 56 -17.611 -2.107 12.263 1.00 0.00 O ATOM 836 CB ASP A 56 -18.686 -3.281 9.799 1.00 0.00 C ATOM 837 CG ASP A 56 -20.111 -3.349 10.332 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.967 -2.526 9.913 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.328 -4.198 11.238 1.00 0.00 O ATOM 0 H ASP A 56 -16.405 -2.726 9.142 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.729 -1.202 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.678 -3.566 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.065 -4.002 10.330 1.00 0.00 H new ATOM 844 N ALA A 57 -18.728 -0.263 11.659 1.00 0.00 N ATOM 845 CA ALA A 57 -18.731 0.214 13.007 1.00 0.00 C ATOM 846 C ALA A 57 -20.029 0.006 13.707 1.00 0.00 C ATOM 847 O ALA A 57 -20.093 -0.181 14.921 1.00 0.00 O ATOM 848 CB ALA A 57 -18.466 1.728 13.059 1.00 0.00 C ATOM 0 H ALA A 57 -19.232 0.315 10.986 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.947 -0.361 13.500 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.474 2.063 14.096 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.494 1.943 12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.242 2.253 12.502 1.00 0.00 H new ATOM 854 N ASP A 58 -21.197 0.038 13.040 1.00 0.00 N ATOM 855 CA ASP A 58 -22.491 -0.160 13.616 1.00 0.00 C ATOM 856 C ASP A 58 -22.903 -1.534 14.017 1.00 0.00 C ATOM 857 O ASP A 58 -23.702 -1.758 14.926 1.00 0.00 O ATOM 858 CB ASP A 58 -23.501 0.604 12.743 1.00 0.00 C ATOM 859 CG ASP A 58 -23.482 0.136 11.295 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.558 -1.086 10.996 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.200 0.959 10.383 1.00 0.00 O ATOM 0 H ASP A 58 -21.239 0.213 12.036 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.450 0.253 14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.503 0.474 13.152 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.278 1.670 12.781 1.00 0.00 H new ATOM 866 N GLY A 59 -22.322 -2.580 13.403 1.00 0.00 N ATOM 867 CA GLY A 59 -22.664 -3.947 13.647 1.00 0.00 C ATOM 868 C GLY A 59 -23.569 -4.538 12.621 1.00 0.00 C ATOM 869 O GLY A 59 -24.065 -5.650 12.794 1.00 0.00 O ATOM 0 H GLY A 59 -21.584 -2.469 12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.749 -4.537 13.693 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.141 -4.023 14.624 1.00 0.00 H new ATOM 873 N ASN A 60 -23.966 -3.919 11.495 1.00 0.00 N ATOM 874 CA ASN A 60 -24.785 -4.487 10.469 1.00 0.00 C ATOM 875 C ASN A 60 -24.141 -5.522 9.611 1.00 0.00 C ATOM 876 O ASN A 60 -24.751 -6.426 9.043 1.00 0.00 O ATOM 877 CB ASN A 60 -25.690 -3.498 9.715 1.00 0.00 C ATOM 878 CG ASN A 60 -24.935 -2.498 8.851 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.738 -2.546 8.572 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.730 -1.436 8.555 1.00 0.00 N ATOM 0 H ASN A 60 -23.696 -2.957 11.288 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.490 -5.073 11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.378 -4.061 9.084 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.295 -2.952 10.439 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.339 -0.624 8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.717 -1.451 8.811 1.00 0.00 H new ATOM 887 N GLY A 61 -22.800 -5.478 9.695 1.00 0.00 N ATOM 888 CA GLY A 61 -21.952 -6.426 9.042 1.00 0.00 C ATOM 889 C GLY A 61 -21.686 -6.104 7.612 1.00 0.00 C ATOM 890 O GLY A 61 -21.124 -6.845 6.807 1.00 0.00 O ATOM 0 H GLY A 61 -22.294 -4.770 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.003 -6.480 9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.410 -7.413 9.104 1.00 0.00 H new ATOM 894 N THR A 62 -22.203 -4.937 7.187 1.00 0.00 N ATOM 895 CA THR A 62 -22.159 -4.408 5.859 1.00 0.00 C ATOM 896 C THR A 62 -21.543 -3.051 5.836 1.00 0.00 C ATOM 897 O THR A 62 -21.547 -2.292 6.803 1.00 0.00 O ATOM 898 CB THR A 62 -23.466 -4.421 5.123 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.539 -3.894 5.890 1.00 0.00 O ATOM 900 CG2 THR A 62 -23.939 -5.863 4.874 1.00 0.00 C ATOM 0 H THR A 62 -22.693 -4.312 7.828 1.00 0.00 H new ATOM 0 HA THR A 62 -21.522 -5.101 5.309 1.00 0.00 H new ATOM 0 HB THR A 62 -23.267 -3.842 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.364 -3.925 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.889 -5.847 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.195 -6.392 4.278 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.069 -6.373 5.828 1.00 0.00 H new ATOM 908 N ILE A 63 -21.080 -2.597 4.658 1.00 0.00 N ATOM 909 CA ILE A 63 -20.512 -1.292 4.521 1.00 0.00 C ATOM 910 C ILE A 63 -21.540 -0.292 4.116 1.00 0.00 C ATOM 911 O ILE A 63 -22.093 -0.282 3.017 1.00 0.00 O ATOM 912 CB ILE A 63 -19.363 -1.370 3.560 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.314 -2.471 3.790 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.737 0.031 3.660 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.315 -2.507 2.635 1.00 0.00 C ATOM 0 H ILE A 63 -21.100 -3.139 3.794 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.134 -0.946 5.483 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.735 -1.655 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.788 -2.291 4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.808 -3.438 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.877 0.094 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.475 0.780 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.415 0.213 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.580 -3.292 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.843 -2.710 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.808 -1.545 2.562 1.00 0.00 H new ATOM 927 N ASP A 64 -21.919 0.585 5.062 1.00 0.00 N ATOM 928 CA ASP A 64 -22.590 1.804 4.732 1.00 0.00 C ATOM 929 C ASP A 64 -21.679 2.889 4.272 1.00 0.00 C ATOM 930 O ASP A 64 -20.451 2.829 4.328 1.00 0.00 O ATOM 931 CB ASP A 64 -23.441 2.299 5.913 1.00 0.00 C ATOM 932 CG ASP A 64 -24.179 1.207 6.674 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.521 0.388 7.370 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.417 1.406 6.798 1.00 0.00 O ATOM 0 H ASP A 64 -21.760 0.449 6.060 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.235 1.562 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.794 2.833 6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.170 3.018 5.540 1.00 0.00 H new ATOM 939 N PHE A 65 -22.276 3.995 3.793 1.00 0.00 N ATOM 940 CA PHE A 65 -21.607 5.146 3.270 1.00 0.00 C ATOM 941 C PHE A 65 -20.560 5.688 4.181 1.00 0.00 C ATOM 942 O PHE A 65 -19.429 5.770 3.706 1.00 0.00 O ATOM 943 CB PHE A 65 -22.576 6.139 2.607 1.00 0.00 C ATOM 944 CG PHE A 65 -21.847 7.111 1.744 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.046 6.725 0.695 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.010 8.457 1.976 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.373 7.636 -0.085 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.319 9.397 1.248 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.553 8.972 0.188 1.00 0.00 C ATOM 0 H PHE A 65 -23.291 4.091 3.770 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.996 4.829 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.306 5.594 2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.132 6.677 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.942 5.672 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.695 8.782 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.724 7.313 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.377 10.445 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.080 9.707 -0.447 1.00 0.00 H new ATOM 959 N PRO A 66 -20.614 6.088 5.417 1.00 0.00 N ATOM 960 CA PRO A 66 -19.477 6.542 6.163 1.00 0.00 C ATOM 961 C PRO A 66 -18.352 5.616 6.473 1.00 0.00 C ATOM 962 O PRO A 66 -17.190 5.987 6.635 1.00 0.00 O ATOM 963 CB PRO A 66 -20.102 7.008 7.476 1.00 0.00 C ATOM 964 CG PRO A 66 -21.579 7.274 7.142 1.00 0.00 C ATOM 965 CD PRO A 66 -21.862 6.123 6.164 1.00 0.00 C ATOM 0 HA PRO A 66 -18.963 7.269 5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.003 6.248 8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.613 7.908 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.217 7.233 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.730 8.252 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.062 5.183 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.721 6.326 5.524 1.00 0.00 H new ATOM 973 N GLU A 67 -18.652 4.305 6.505 1.00 0.00 N ATOM 974 CA GLU A 67 -17.617 3.320 6.474 1.00 0.00 C ATOM 975 C GLU A 67 -16.851 3.109 5.213 1.00 0.00 C ATOM 976 O GLU A 67 -15.674 2.768 5.315 1.00 0.00 O ATOM 977 CB GLU A 67 -18.211 1.984 6.951 1.00 0.00 C ATOM 978 CG GLU A 67 -18.988 2.200 8.251 1.00 0.00 C ATOM 979 CD GLU A 67 -19.979 1.067 8.475 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.521 0.494 7.492 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.244 0.711 9.654 1.00 0.00 O ATOM 0 H GLU A 67 -19.600 3.931 6.552 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.852 3.731 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.870 1.574 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.415 1.257 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.295 2.256 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.518 3.152 8.211 1.00 0.00 H new ATOM 988 N PHE A 68 -17.464 3.432 4.060 1.00 0.00 N ATOM 989 CA PHE A 68 -16.807 3.480 2.791 1.00 0.00 C ATOM 990 C PHE A 68 -15.980 4.719 2.765 1.00 0.00 C ATOM 991 O PHE A 68 -14.883 4.700 2.209 1.00 0.00 O ATOM 992 CB PHE A 68 -17.830 3.430 1.643 1.00 0.00 C ATOM 993 CG PHE A 68 -17.130 3.429 0.328 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.477 2.289 -0.076 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.997 4.546 -0.464 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.737 2.220 -1.232 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.290 4.494 -1.642 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.689 3.326 -2.048 1.00 0.00 C ATOM 0 H PHE A 68 -18.455 3.669 4.010 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.162 2.613 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.447 2.536 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.500 4.288 1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.549 1.407 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.454 5.475 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.205 1.317 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.206 5.379 -2.255 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.183 3.277 -3.001 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.461 5.858 3.295 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.686 7.059 3.346 1.00 0.00 C ATOM 1010 C LEU A 69 -14.540 6.863 4.277 1.00 0.00 C ATOM 1011 O LEU A 69 -13.425 7.341 4.076 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.445 8.308 3.827 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.501 8.778 2.812 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.182 10.047 3.351 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.940 9.077 1.412 1.00 0.00 C ATOM 0 H LEU A 69 -17.396 5.947 3.692 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.382 7.241 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.930 8.091 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.735 9.115 4.008 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.204 7.953 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.933 10.388 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.661 9.826 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.435 10.828 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.749 9.402 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.190 9.865 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.483 8.176 1.003 1.00 0.00 H new ATOM 1027 N THR A 70 -14.746 6.084 5.354 1.00 0.00 N ATOM 1028 CA THR A 70 -13.650 5.648 6.164 1.00 0.00 C ATOM 1029 C THR A 70 -12.661 4.777 5.469 1.00 0.00 C ATOM 1030 O THR A 70 -11.472 5.092 5.504 1.00 0.00 O ATOM 1031 CB THR A 70 -14.105 4.960 7.417 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.829 5.899 8.198 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.943 4.529 8.326 1.00 0.00 C ATOM 0 H THR A 70 -15.662 5.758 5.662 1.00 0.00 H new ATOM 0 HA THR A 70 -13.139 6.578 6.413 1.00 0.00 H new ATOM 0 HB THR A 70 -14.676 4.088 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.705 6.058 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.339 4.038 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.296 3.837 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.368 5.406 8.622 1.00 0.00 H new ATOM 1041 N MET A 71 -13.125 3.849 4.613 1.00 0.00 N ATOM 1042 CA MET A 71 -12.242 2.974 3.906 1.00 0.00 C ATOM 1043 C MET A 71 -11.333 3.735 3.004 1.00 0.00 C ATOM 1044 O MET A 71 -10.131 3.473 3.024 1.00 0.00 O ATOM 1045 CB MET A 71 -13.104 1.980 3.109 1.00 0.00 C ATOM 1046 CG MET A 71 -12.325 0.955 2.282 1.00 0.00 C ATOM 1047 SD MET A 71 -13.289 0.043 1.039 1.00 0.00 S ATOM 1048 CE MET A 71 -14.293 -0.939 2.191 1.00 0.00 C ATOM 0 H MET A 71 -14.114 3.704 4.410 1.00 0.00 H new ATOM 0 HA MET A 71 -11.606 2.440 4.611 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.750 1.445 3.805 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.754 2.544 2.440 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.509 1.470 1.775 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.873 0.235 2.964 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.782 -1.748 1.649 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.652 -1.358 2.967 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.048 -0.301 2.650 1.00 0.00 H new ATOM 1058 N MET A 72 -11.843 4.755 2.289 1.00 0.00 N ATOM 1059 CA MET A 72 -11.046 5.494 1.360 1.00 0.00 C ATOM 1060 C MET A 72 -10.035 6.379 2.005 1.00 0.00 C ATOM 1061 O MET A 72 -8.880 6.457 1.589 1.00 0.00 O ATOM 1062 CB MET A 72 -12.029 6.161 0.384 1.00 0.00 C ATOM 1063 CG MET A 72 -12.637 5.160 -0.600 1.00 0.00 C ATOM 1064 SD MET A 72 -11.464 4.343 -1.723 1.00 0.00 S ATOM 1065 CE MET A 72 -12.070 2.639 -1.559 1.00 0.00 C ATOM 0 H MET A 72 -12.811 5.068 2.355 1.00 0.00 H new ATOM 0 HA MET A 72 -10.385 4.842 0.789 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.827 6.643 0.948 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.512 6.944 -0.170 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.161 4.392 -0.031 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.385 5.678 -1.200 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.292 1.944 -1.874 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.331 2.444 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.952 2.505 -2.186 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.436 7.175 3.012 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.539 7.983 3.778 1.00 0.00 C ATOM 1077 C ALA A 73 -8.436 7.321 4.529 1.00 0.00 C ATOM 1078 O ALA A 73 -7.367 7.856 4.819 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.422 8.917 4.624 1.00 0.00 C ATOM 0 H ALA A 73 -11.410 7.259 3.301 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.913 8.530 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.789 9.562 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.038 9.530 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.065 8.322 5.272 1.00 0.00 H new ATOM 1234 N GLU A 83 2.775 -2.647 6.390 1.00 0.00 N ATOM 1235 CA GLU A 83 4.078 -2.069 6.502 1.00 0.00 C ATOM 1236 C GLU A 83 5.023 -2.710 7.459 1.00 0.00 C ATOM 1237 O GLU A 83 6.210 -2.922 7.216 1.00 0.00 O ATOM 1238 CB GLU A 83 4.212 -0.558 6.752 1.00 0.00 C ATOM 1239 CG GLU A 83 3.916 0.440 5.631 1.00 0.00 C ATOM 1240 CD GLU A 83 4.998 0.565 4.568 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.773 1.551 4.695 1.00 0.00 O ATOM 1242 OE2 GLU A 83 4.820 -0.065 3.492 1.00 0.00 O ATOM 0 HA GLU A 83 4.348 -2.280 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.556 -0.310 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.234 -0.376 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.985 0.150 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.751 1.422 6.075 1.00 0.00 H new ATOM 1249 N GLU A 84 4.483 -3.205 8.587 1.00 0.00 N ATOM 1250 CA GLU A 84 5.201 -4.060 9.481 1.00 0.00 C ATOM 1251 C GLU A 84 5.767 -5.304 8.886 1.00 0.00 C ATOM 1252 O GLU A 84 6.985 -5.457 8.959 1.00 0.00 O ATOM 1253 CB GLU A 84 4.411 -4.384 10.760 1.00 0.00 C ATOM 1254 CG GLU A 84 4.875 -3.803 12.097 1.00 0.00 C ATOM 1255 CD GLU A 84 6.172 -4.429 12.590 1.00 0.00 C ATOM 1256 OE1 GLU A 84 6.033 -5.550 13.149 1.00 0.00 O ATOM 1257 OE2 GLU A 84 7.285 -3.846 12.490 1.00 0.00 O ATOM 0 H GLU A 84 3.528 -3.007 8.884 1.00 0.00 H new ATOM 0 HA GLU A 84 6.066 -3.451 9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.383 -4.058 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.389 -5.469 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.012 -2.727 11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.096 -3.954 12.844 1.00 0.00 H new ATOM 1264 N ILE A 85 4.932 -6.179 8.297 1.00 0.00 N ATOM 1265 CA ILE A 85 5.268 -7.299 7.473 1.00 0.00 C ATOM 1266 C ILE A 85 6.120 -6.970 6.296 1.00 0.00 C ATOM 1267 O ILE A 85 7.108 -7.654 6.033 1.00 0.00 O ATOM 1268 CB ILE A 85 4.118 -8.208 7.156 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.128 -7.784 6.058 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.409 -8.445 8.501 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.749 -8.436 6.137 1.00 0.00 C ATOM 0 H ILE A 85 3.922 -6.091 8.411 1.00 0.00 H new ATOM 0 HA ILE A 85 5.915 -7.898 8.114 1.00 0.00 H new ATOM 0 HB ILE A 85 4.534 -9.105 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.003 -6.702 6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.566 -8.015 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.553 -9.103 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.104 -8.908 9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.067 -7.492 8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.127 -8.071 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.853 -9.518 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.282 -8.184 7.089 1.00 0.00 H new ATOM 1283 N ARG A 86 5.938 -5.864 5.552 1.00 0.00 N ATOM 1284 CA ARG A 86 6.735 -5.445 4.442 1.00 0.00 C ATOM 1285 C ARG A 86 8.130 -4.996 4.709 1.00 0.00 C ATOM 1286 O ARG A 86 9.027 -5.396 3.967 1.00 0.00 O ATOM 1287 CB ARG A 86 6.064 -4.249 3.744 1.00 0.00 C ATOM 1288 CG ARG A 86 6.415 -4.247 2.255 1.00 0.00 C ATOM 1289 CD ARG A 86 5.687 -3.288 1.311 1.00 0.00 C ATOM 1290 NE ARG A 86 6.093 -3.775 -0.037 1.00 0.00 N ATOM 1291 CZ ARG A 86 5.255 -3.911 -1.106 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.951 -3.509 -1.123 1.00 0.00 N ATOM 1293 NH2 ARG A 86 5.769 -4.474 -2.238 1.00 0.00 N ATOM 0 H ARG A 86 5.175 -5.215 5.743 1.00 0.00 H new ATOM 0 HA ARG A 86 6.802 -6.362 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.983 -4.303 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.393 -3.317 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.482 -4.041 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.255 -5.258 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.606 -3.330 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.989 -2.253 1.475 1.00 0.00 H new ATOM 0 HE ARG A 86 7.072 -4.026 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.541 -3.073 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.386 -3.645 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.744 -4.774 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.178 -4.595 -3.061 1.00 0.00 H new ATOM 1307 N GLU A 87 8.297 -4.189 5.772 1.00 0.00 N ATOM 1308 CA GLU A 87 9.552 -4.081 6.450 1.00 0.00 C ATOM 1309 C GLU A 87 10.236 -5.330 6.888 1.00 0.00 C ATOM 1310 O GLU A 87 11.379 -5.693 6.619 1.00 0.00 O ATOM 1311 CB GLU A 87 9.571 -2.887 7.419 1.00 0.00 C ATOM 1312 CG GLU A 87 10.939 -2.433 7.932 1.00 0.00 C ATOM 1313 CD GLU A 87 11.765 -1.729 6.865 1.00 0.00 C ATOM 1314 OE1 GLU A 87 11.355 -0.575 6.571 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.674 -2.359 6.259 1.00 0.00 O ATOM 0 H GLU A 87 7.557 -3.607 6.164 1.00 0.00 H new ATOM 0 HA GLU A 87 10.264 -3.840 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.097 -2.040 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.952 -3.139 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.800 -1.761 8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.490 -3.299 8.299 1.00 0.00 H new ATOM 1322 N ALA A 88 9.371 -6.154 7.506 1.00 0.00 N ATOM 1323 CA ALA A 88 9.973 -7.369 7.961 1.00 0.00 C ATOM 1324 C ALA A 88 10.307 -8.337 6.878 1.00 0.00 C ATOM 1325 O ALA A 88 11.245 -9.125 6.989 1.00 0.00 O ATOM 1326 CB ALA A 88 9.052 -8.117 8.939 1.00 0.00 C ATOM 0 H ALA A 88 8.376 -6.012 7.678 1.00 0.00 H new ATOM 0 HA ALA A 88 10.896 -7.037 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.538 -9.036 9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.850 -7.485 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.114 -8.361 8.441 1.00 0.00 H new ATOM 1332 N PHE A 89 9.668 -8.256 5.697 1.00 0.00 N ATOM 1333 CA PHE A 89 9.973 -9.131 4.608 1.00 0.00 C ATOM 1334 C PHE A 89 11.364 -8.954 4.105 1.00 0.00 C ATOM 1335 O PHE A 89 12.117 -9.879 3.805 1.00 0.00 O ATOM 1336 CB PHE A 89 8.927 -8.854 3.515 1.00 0.00 C ATOM 1337 CG PHE A 89 9.082 -9.581 2.224 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.737 -10.911 2.287 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.355 -9.012 1.003 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.910 -11.737 1.201 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.633 -9.848 -0.052 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.437 -11.205 0.048 1.00 0.00 C ATOM 0 H PHE A 89 8.933 -7.578 5.496 1.00 0.00 H new ATOM 0 HA PHE A 89 9.927 -10.170 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.944 -9.092 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.935 -7.785 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.325 -11.312 3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.351 -7.939 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.638 -12.781 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 89 10.011 -9.432 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.696 -11.852 -0.777 1.00 0.00 H new ATOM 1352 N ARG A 90 11.746 -7.666 4.159 1.00 0.00 N ATOM 1353 CA ARG A 90 12.972 -7.314 3.513 1.00 0.00 C ATOM 1354 C ARG A 90 14.050 -7.255 4.541 1.00 0.00 C ATOM 1355 O ARG A 90 15.233 -7.348 4.218 1.00 0.00 O ATOM 1356 CB ARG A 90 12.889 -5.958 2.792 1.00 0.00 C ATOM 1357 CG ARG A 90 12.573 -4.715 3.627 1.00 0.00 C ATOM 1358 CD ARG A 90 12.313 -3.513 2.716 1.00 0.00 C ATOM 1359 NE ARG A 90 12.112 -2.356 3.632 1.00 0.00 N ATOM 1360 CZ ARG A 90 11.742 -1.136 3.142 1.00 0.00 C ATOM 1361 NH1 ARG A 90 11.405 -0.998 1.827 1.00 0.00 N ATOM 1362 NH2 ARG A 90 11.624 -0.071 3.987 1.00 0.00 N ATOM 0 H ARG A 90 11.242 -6.908 4.620 1.00 0.00 H new ATOM 0 HA ARG A 90 13.183 -8.071 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.841 -5.789 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.129 -6.040 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.700 -4.901 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.405 -4.498 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.154 -3.340 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.435 -3.676 2.092 1.00 0.00 H new ATOM 0 HE ARG A 90 12.252 -2.476 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.429 -1.807 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.129 -0.085 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.812 -0.187 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.348 0.841 3.623 1.00 0.00 H new ATOM 1376 N VAL A 91 13.761 -7.221 5.854 1.00 0.00 N ATOM 1377 CA VAL A 91 14.697 -7.432 6.914 1.00 0.00 C ATOM 1378 C VAL A 91 15.039 -8.882 6.903 1.00 0.00 C ATOM 1379 O VAL A 91 16.200 -9.252 7.067 1.00 0.00 O ATOM 1380 CB VAL A 91 14.260 -6.901 8.247 1.00 0.00 C ATOM 1381 CG1 VAL A 91 15.182 -7.308 9.409 1.00 0.00 C ATOM 1382 CG2 VAL A 91 14.164 -5.366 8.247 1.00 0.00 C ATOM 0 H VAL A 91 12.818 -7.035 6.195 1.00 0.00 H new ATOM 0 HA VAL A 91 15.596 -6.840 6.738 1.00 0.00 H new ATOM 0 HB VAL A 91 13.279 -7.350 8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.802 -6.887 10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.211 -8.395 9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.188 -6.931 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.844 -5.021 9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.140 -4.940 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.440 -5.047 7.498 1.00 0.00 H new ATOM 1392 N PHE A 92 14.081 -9.815 6.763 1.00 0.00 N ATOM 1393 CA PHE A 92 14.252 -11.235 6.771 1.00 0.00 C ATOM 1394 C PHE A 92 14.977 -11.704 5.556 1.00 0.00 C ATOM 1395 O PHE A 92 15.733 -12.667 5.677 1.00 0.00 O ATOM 1396 CB PHE A 92 12.894 -11.925 6.982 1.00 0.00 C ATOM 1397 CG PHE A 92 12.280 -11.863 8.338 1.00 0.00 C ATOM 1398 CD1 PHE A 92 12.943 -11.242 9.370 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.162 -12.619 8.600 1.00 0.00 C ATOM 1400 CE1 PHE A 92 12.458 -11.192 10.656 1.00 0.00 C ATOM 1401 CE2 PHE A 92 10.608 -12.526 9.855 1.00 0.00 C ATOM 1402 CZ PHE A 92 11.247 -11.817 10.844 1.00 0.00 C ATOM 0 H PHE A 92 13.104 -9.552 6.633 1.00 0.00 H new ATOM 0 HA PHE A 92 14.887 -11.517 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.186 -11.492 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.008 -12.976 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 92 13.892 -10.770 9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.734 -13.263 7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.988 -10.699 11.458 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.667 -13.012 10.065 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.777 -11.747 11.814 1.00 0.00 H new ATOM 1412 N ASP A 93 14.925 -10.995 4.414 1.00 0.00 N ATOM 1413 CA ASP A 93 15.569 -11.357 3.189 1.00 0.00 C ATOM 1414 C ASP A 93 16.978 -10.874 3.235 1.00 0.00 C ATOM 1415 O ASP A 93 17.175 -9.675 3.043 1.00 0.00 O ATOM 1416 CB ASP A 93 14.762 -10.865 1.976 1.00 0.00 C ATOM 1417 CG ASP A 93 15.285 -11.286 0.610 1.00 0.00 C ATOM 1418 OD1 ASP A 93 16.092 -12.238 0.437 1.00 0.00 O ATOM 1419 OD2 ASP A 93 14.738 -10.637 -0.321 1.00 0.00 O ATOM 0 H ASP A 93 14.405 -10.121 4.342 1.00 0.00 H new ATOM 0 HA ASP A 93 15.605 -12.440 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.738 -11.224 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.723 -9.776 2.008 1.00 0.00 H new ATOM 1424 N LYS A 94 17.966 -11.720 3.577 1.00 0.00 N ATOM 1425 CA LYS A 94 19.297 -11.310 3.903 1.00 0.00 C ATOM 1426 C LYS A 94 20.154 -10.881 2.763 1.00 0.00 C ATOM 1427 O LYS A 94 20.842 -9.862 2.760 1.00 0.00 O ATOM 1428 CB LYS A 94 20.015 -12.443 4.655 1.00 0.00 C ATOM 1429 CG LYS A 94 21.152 -11.822 5.468 1.00 0.00 C ATOM 1430 CD LYS A 94 21.478 -12.544 6.777 1.00 0.00 C ATOM 1431 CE LYS A 94 22.582 -11.834 7.562 1.00 0.00 C ATOM 1432 NZ LYS A 94 21.905 -10.686 8.204 1.00 0.00 N ATOM 0 H LYS A 94 17.832 -12.730 3.629 1.00 0.00 H new ATOM 0 HA LYS A 94 19.161 -10.418 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.319 -12.966 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.406 -13.179 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.050 -11.798 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.894 -10.788 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.579 -12.606 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.787 -13.566 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.029 -12.496 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.386 -11.503 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.426 -9.812 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.934 -10.608 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.879 -10.830 9.234 1.00 0.00 H new ATOM 1446 N ASP A 95 20.007 -11.678 1.690 1.00 0.00 N ATOM 1447 CA ASP A 95 20.704 -11.577 0.445 1.00 0.00 C ATOM 1448 C ASP A 95 20.128 -10.506 -0.417 1.00 0.00 C ATOM 1449 O ASP A 95 20.873 -9.971 -1.236 1.00 0.00 O ATOM 1450 CB ASP A 95 20.671 -12.933 -0.280 1.00 0.00 C ATOM 1451 CG ASP A 95 19.306 -13.605 -0.310 1.00 0.00 C ATOM 1452 OD1 ASP A 95 18.692 -13.916 0.745 1.00 0.00 O ATOM 1453 OD2 ASP A 95 18.752 -13.802 -1.424 1.00 0.00 O ATOM 0 H ASP A 95 19.347 -12.456 1.695 1.00 0.00 H new ATOM 0 HA ASP A 95 21.739 -11.307 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.013 -12.790 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 95 21.381 -13.605 0.202 1.00 0.00 H new ATOM 1458 N GLY A 96 18.853 -10.140 -0.194 1.00 0.00 N ATOM 1459 CA GLY A 96 18.099 -9.123 -0.857 1.00 0.00 C ATOM 1460 C GLY A 96 17.678 -9.426 -2.254 1.00 0.00 C ATOM 1461 O GLY A 96 17.604 -8.593 -3.156 1.00 0.00 O ATOM 0 H GLY A 96 18.297 -10.605 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.206 -8.917 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.692 -8.208 -0.868 1.00 0.00 H new ATOM 1465 N ASN A 97 17.270 -10.686 -2.491 1.00 0.00 N ATOM 1466 CA ASN A 97 16.852 -11.083 -3.799 1.00 0.00 C ATOM 1467 C ASN A 97 15.425 -10.786 -4.108 1.00 0.00 C ATOM 1468 O ASN A 97 15.018 -10.593 -5.252 1.00 0.00 O ATOM 1469 CB ASN A 97 17.336 -12.458 -4.288 1.00 0.00 C ATOM 1470 CG ASN A 97 16.571 -13.648 -3.727 1.00 0.00 C ATOM 1471 OD1 ASN A 97 15.961 -13.584 -2.661 1.00 0.00 O ATOM 1472 ND2 ASN A 97 16.675 -14.878 -4.297 1.00 0.00 N ATOM 0 H ASN A 97 17.230 -11.422 -1.786 1.00 0.00 H new ATOM 0 HA ASN A 97 17.422 -10.404 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.270 -12.483 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.389 -12.568 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.258 -15.689 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.170 -14.990 -5.182 1.00 0.00 H new ATOM 1479 N GLY A 98 14.527 -10.688 -3.111 1.00 0.00 N ATOM 1480 CA GLY A 98 13.121 -10.473 -3.256 1.00 0.00 C ATOM 1481 C GLY A 98 12.296 -11.680 -2.969 1.00 0.00 C ATOM 1482 O GLY A 98 11.072 -11.632 -3.081 1.00 0.00 O ATOM 0 H GLY A 98 14.806 -10.765 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.815 -9.668 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.917 -10.138 -4.273 1.00 0.00 H new ATOM 1486 N TYR A 99 12.953 -12.797 -2.611 1.00 0.00 N ATOM 1487 CA TYR A 99 12.368 -14.026 -2.175 1.00 0.00 C ATOM 1488 C TYR A 99 12.999 -14.550 -0.932 1.00 0.00 C ATOM 1489 O TYR A 99 14.180 -14.331 -0.666 1.00 0.00 O ATOM 1490 CB TYR A 99 12.566 -15.171 -3.184 1.00 0.00 C ATOM 1491 CG TYR A 99 11.953 -14.921 -4.519 1.00 0.00 C ATOM 1492 CD1 TYR A 99 10.595 -14.739 -4.631 1.00 0.00 C ATOM 1493 CD2 TYR A 99 12.741 -14.750 -5.633 1.00 0.00 C ATOM 1494 CE1 TYR A 99 10.015 -14.379 -5.825 1.00 0.00 C ATOM 1495 CE2 TYR A 99 12.157 -14.406 -6.829 1.00 0.00 C ATOM 1496 CZ TYR A 99 10.792 -14.296 -6.956 1.00 0.00 C ATOM 1497 OH TYR A 99 10.322 -13.945 -8.239 1.00 0.00 O ATOM 0 H TYR A 99 13.972 -12.843 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 99 11.318 -13.768 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.634 -15.345 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.142 -16.085 -2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.970 -14.882 -3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.811 -14.885 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.958 -14.163 -5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.784 -14.218 -7.688 1.00 0.00 H new ATOM 0 HH TYR A 99 11.068 -13.956 -8.875 1.00 0.00 H new ATOM 1507 N ILE A 100 12.232 -15.316 -0.137 1.00 0.00 N ATOM 1508 CA ILE A 100 12.781 -15.956 1.019 1.00 0.00 C ATOM 1509 C ILE A 100 12.787 -17.398 0.645 1.00 0.00 C ATOM 1510 O ILE A 100 11.778 -17.974 0.240 1.00 0.00 O ATOM 1511 CB ILE A 100 12.006 -15.851 2.299 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.773 -14.386 2.706 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.964 -16.392 3.374 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.721 -14.213 3.800 1.00 0.00 C ATOM 0 H ILE A 100 11.239 -15.492 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 100 13.735 -15.476 1.238 1.00 0.00 H new ATOM 0 HB ILE A 100 11.050 -16.364 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.715 -13.959 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.467 -13.818 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.477 -16.352 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 100 13.227 -17.424 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.868 -15.784 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.611 -13.154 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.767 -14.609 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.034 -14.752 4.694 1.00 0.00 H new ATOM 1526 N SER A 101 13.920 -18.123 0.657 1.00 0.00 N ATOM 1527 CA SER A 101 13.892 -19.505 0.291 1.00 0.00 C ATOM 1528 C SER A 101 13.422 -20.339 1.433 1.00 0.00 C ATOM 1529 O SER A 101 13.486 -19.895 2.578 1.00 0.00 O ATOM 1530 CB SER A 101 15.278 -19.933 -0.223 1.00 0.00 C ATOM 1531 OG SER A 101 16.257 -19.978 0.805 1.00 0.00 O ATOM 0 H SER A 101 14.838 -17.762 0.915 1.00 0.00 H new ATOM 0 HA SER A 101 13.180 -19.657 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.200 -20.916 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.603 -19.239 -0.998 1.00 0.00 H new ATOM 0 HG SER A 101 17.117 -20.256 0.426 1.00 0.00 H new ATOM 1537 N ALA A 102 12.950 -21.586 1.256 1.00 0.00 N ATOM 1538 CA ALA A 102 12.631 -22.497 2.311 1.00 0.00 C ATOM 1539 C ALA A 102 13.699 -22.737 3.322 1.00 0.00 C ATOM 1540 O ALA A 102 13.490 -22.947 4.515 1.00 0.00 O ATOM 1541 CB ALA A 102 12.032 -23.802 1.759 1.00 0.00 C ATOM 0 H ALA A 102 12.782 -21.978 0.330 1.00 0.00 H new ATOM 0 HA ALA A 102 11.867 -21.980 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.800 -24.474 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.120 -23.578 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.751 -24.280 1.094 1.00 0.00 H new ATOM 1547 N ALA A 103 14.951 -22.528 2.877 1.00 0.00 N ATOM 1548 CA ALA A 103 16.090 -22.676 3.729 1.00 0.00 C ATOM 1549 C ALA A 103 16.258 -21.528 4.664 1.00 0.00 C ATOM 1550 O ALA A 103 16.366 -21.736 5.872 1.00 0.00 O ATOM 1551 CB ALA A 103 17.382 -22.974 2.950 1.00 0.00 C ATOM 0 H ALA A 103 15.175 -22.255 1.920 1.00 0.00 H new ATOM 0 HA ALA A 103 15.888 -23.554 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 103 18.213 -23.076 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 103 17.263 -23.901 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 103 17.587 -22.156 2.259 1.00 0.00 H new ATOM 1557 N GLU A 104 16.186 -20.314 4.089 1.00 0.00 N ATOM 1558 CA GLU A 104 16.110 -19.062 4.775 1.00 0.00 C ATOM 1559 C GLU A 104 14.930 -18.980 5.682 1.00 0.00 C ATOM 1560 O GLU A 104 15.103 -18.666 6.859 1.00 0.00 O ATOM 1561 CB GLU A 104 16.015 -17.930 3.738 1.00 0.00 C ATOM 1562 CG GLU A 104 17.204 -17.475 2.890 1.00 0.00 C ATOM 1563 CD GLU A 104 16.796 -16.549 1.753 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.379 -15.388 2.009 1.00 0.00 O ATOM 1565 OE2 GLU A 104 16.997 -16.878 0.553 1.00 0.00 O ATOM 0 H GLU A 104 16.181 -20.201 3.075 1.00 0.00 H new ATOM 0 HA GLU A 104 17.007 -18.967 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.228 -18.215 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.662 -17.049 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.925 -16.964 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.707 -18.350 2.478 1.00 0.00 H new ATOM 1572 N LEU A 105 13.743 -19.433 5.242 1.00 0.00 N ATOM 1573 CA LEU A 105 12.613 -19.579 6.107 1.00 0.00 C ATOM 1574 C LEU A 105 12.762 -20.448 7.308 1.00 0.00 C ATOM 1575 O LEU A 105 12.320 -20.181 8.424 1.00 0.00 O ATOM 1576 CB LEU A 105 11.373 -20.230 5.471 1.00 0.00 C ATOM 1577 CG LEU A 105 10.741 -19.412 4.332 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.688 -20.150 3.487 1.00 0.00 C ATOM 1579 CD2 LEU A 105 9.959 -18.200 4.865 1.00 0.00 C ATOM 0 H LEU A 105 13.564 -19.701 4.274 1.00 0.00 H new ATOM 0 HA LEU A 105 12.515 -18.522 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.650 -21.212 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.624 -20.390 6.246 1.00 0.00 H new ATOM 0 HG LEU A 105 11.615 -19.162 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.308 -19.482 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.143 -21.023 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.866 -20.468 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.528 -17.649 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.161 -18.543 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.633 -17.548 5.421 1.00 0.00 H new ATOM 1591 N ARG A 106 13.436 -21.592 7.091 1.00 0.00 N ATOM 1592 CA ARG A 106 13.778 -22.559 8.087 1.00 0.00 C ATOM 1593 C ARG A 106 14.698 -21.932 9.077 1.00 0.00 C ATOM 1594 O ARG A 106 14.488 -21.991 10.288 1.00 0.00 O ATOM 1595 CB ARG A 106 14.348 -23.862 7.503 1.00 0.00 C ATOM 1596 CG ARG A 106 14.860 -24.892 8.511 1.00 0.00 C ATOM 1597 CD ARG A 106 15.422 -26.161 7.868 1.00 0.00 C ATOM 1598 NE ARG A 106 14.944 -27.334 8.653 1.00 0.00 N ATOM 1599 CZ ARG A 106 13.787 -27.998 8.366 1.00 0.00 C ATOM 1600 NH1 ARG A 106 13.017 -27.787 7.259 1.00 0.00 N ATOM 1601 NH2 ARG A 106 13.361 -28.936 9.262 1.00 0.00 N ATOM 0 H ARG A 106 13.762 -21.857 6.162 1.00 0.00 H new ATOM 0 HA ARG A 106 12.861 -22.865 8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.573 -24.332 6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.167 -23.606 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.636 -24.432 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.045 -25.166 9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.094 -26.239 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.512 -26.130 7.856 1.00 0.00 H new ATOM 0 HE ARG A 106 15.507 -27.655 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.295 -27.088 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.164 -28.329 7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.903 -29.117 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.501 -29.456 9.086 1.00 0.00 H new ATOM 1615 N HIS A 107 15.762 -21.237 8.638 1.00 0.00 N ATOM 1616 CA HIS A 107 16.714 -20.535 9.442 1.00 0.00 C ATOM 1617 C HIS A 107 16.199 -19.415 10.280 1.00 0.00 C ATOM 1618 O HIS A 107 16.437 -19.373 11.486 1.00 0.00 O ATOM 1619 CB HIS A 107 17.905 -20.025 8.613 1.00 0.00 C ATOM 1620 CG HIS A 107 19.079 -19.377 9.286 1.00 0.00 C ATOM 1621 ND1 HIS A 107 20.112 -20.002 9.955 1.00 0.00 N ATOM 1622 CD2 HIS A 107 19.381 -18.053 9.220 1.00 0.00 C ATOM 1623 CE1 HIS A 107 20.930 -18.992 10.357 1.00 0.00 C ATOM 1624 NE2 HIS A 107 20.496 -17.800 9.992 1.00 0.00 N ATOM 0 H HIS A 107 15.972 -21.161 7.643 1.00 0.00 H new ATOM 0 HA HIS A 107 17.023 -21.308 10.146 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.288 -20.873 8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.512 -19.309 7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.834 -17.315 8.652 1.00 0.00 H new ATOM 0 HE1 HIS A 107 21.840 -19.149 10.917 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.897 -16.892 10.229 1.00 0.00 H new ATOM 1632 N VAL A 108 15.471 -18.450 9.690 1.00 0.00 N ATOM 1633 CA VAL A 108 14.860 -17.281 10.243 1.00 0.00 C ATOM 1634 C VAL A 108 13.856 -17.653 11.278 1.00 0.00 C ATOM 1635 O VAL A 108 13.898 -17.193 12.418 1.00 0.00 O ATOM 1636 CB VAL A 108 14.268 -16.308 9.266 1.00 0.00 C ATOM 1637 CG1 VAL A 108 13.546 -15.150 9.976 1.00 0.00 C ATOM 1638 CG2 VAL A 108 15.414 -15.868 8.339 1.00 0.00 C ATOM 0 H VAL A 108 15.289 -18.502 8.688 1.00 0.00 H new ATOM 0 HA VAL A 108 15.693 -16.737 10.688 1.00 0.00 H new ATOM 0 HB VAL A 108 13.481 -16.766 8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.132 -14.469 9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.740 -15.547 10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.254 -14.612 10.607 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.036 -15.156 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 108 16.200 -15.397 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.820 -16.739 7.824 1.00 0.00 H new ATOM 1648 N MET A 109 12.919 -18.526 10.867 1.00 0.00 N ATOM 1649 CA MET A 109 11.841 -18.823 11.759 1.00 0.00 C ATOM 1650 C MET A 109 12.356 -19.631 12.900 1.00 0.00 C ATOM 1651 O MET A 109 11.707 -19.723 13.941 1.00 0.00 O ATOM 1652 CB MET A 109 10.618 -19.394 11.022 1.00 0.00 C ATOM 1653 CG MET A 109 9.724 -18.363 10.329 1.00 0.00 C ATOM 1654 SD MET A 109 10.369 -17.677 8.773 1.00 0.00 S ATOM 1655 CE MET A 109 9.588 -16.064 9.065 1.00 0.00 C ATOM 0 H MET A 109 12.902 -19.004 9.966 1.00 0.00 H new ATOM 0 HA MET A 109 11.446 -17.906 12.197 1.00 0.00 H new ATOM 0 HB2 MET A 109 10.966 -20.107 10.275 1.00 0.00 H new ATOM 0 HB3 MET A 109 10.013 -19.951 11.737 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.757 -18.825 10.128 1.00 0.00 H new ATOM 0 HG3 MET A 109 9.546 -17.540 11.021 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.786 -15.405 8.219 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.512 -16.196 9.178 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.996 -15.621 9.973 1.00 0.00 H new ATOM 1665 N THR A 110 13.495 -20.331 12.748 1.00 0.00 N ATOM 1666 CA THR A 110 13.978 -21.056 13.881 1.00 0.00 C ATOM 1667 C THR A 110 14.679 -20.138 14.822 1.00 0.00 C ATOM 1668 O THR A 110 14.381 -20.149 16.015 1.00 0.00 O ATOM 1669 CB THR A 110 14.930 -22.150 13.499 1.00 0.00 C ATOM 1670 OG1 THR A 110 14.273 -23.106 12.680 1.00 0.00 O ATOM 1671 CG2 THR A 110 15.620 -22.864 14.674 1.00 0.00 C ATOM 0 H THR A 110 14.052 -20.396 11.896 1.00 0.00 H new ATOM 0 HA THR A 110 13.105 -21.504 14.354 1.00 0.00 H new ATOM 0 HB THR A 110 15.730 -21.647 12.955 1.00 0.00 H new ATOM 0 HG1 THR A 110 14.486 -22.933 11.739 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.286 -23.636 14.290 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.197 -22.141 15.251 1.00 0.00 H new ATOM 0 HG23 THR A 110 14.866 -23.321 15.315 1.00 0.00 H new ATOM 1679 N ASN A 111 15.570 -19.239 14.367 1.00 0.00 N ATOM 1680 CA ASN A 111 16.438 -18.365 15.092 1.00 0.00 C ATOM 1681 C ASN A 111 15.797 -17.055 15.401 1.00 0.00 C ATOM 1682 O ASN A 111 16.469 -16.029 15.302 1.00 0.00 O ATOM 1683 CB ASN A 111 17.755 -18.176 14.321 1.00 0.00 C ATOM 1684 CG ASN A 111 18.489 -19.510 14.299 1.00 0.00 C ATOM 1685 OD1 ASN A 111 19.027 -19.958 15.310 1.00 0.00 O ATOM 1686 ND2 ASN A 111 18.377 -20.237 13.155 1.00 0.00 N ATOM 0 H ASN A 111 15.693 -19.113 13.362 1.00 0.00 H new ATOM 0 HA ASN A 111 16.655 -18.833 16.052 1.00 0.00 H new ATOM 0 HB2 ASN A 111 17.555 -17.835 13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 111 18.369 -17.412 14.798 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.746 -21.187 13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.924 -19.832 12.336 1.00 0.00 H new ATOM 1693 N LEU A 112 14.499 -17.001 15.747 1.00 0.00 N ATOM 1694 CA LEU A 112 13.854 -15.797 16.170 1.00 0.00 C ATOM 1695 C LEU A 112 13.452 -15.729 17.603 1.00 0.00 C ATOM 1696 O LEU A 112 13.989 -15.079 18.499 1.00 0.00 O ATOM 1697 CB LEU A 112 12.653 -15.460 15.269 1.00 0.00 C ATOM 1698 CG LEU A 112 12.170 -14.008 15.423 1.00 0.00 C ATOM 1699 CD1 LEU A 112 13.199 -12.866 15.453 1.00 0.00 C ATOM 1700 CD2 LEU A 112 11.176 -13.683 14.296 1.00 0.00 C ATOM 0 H LEU A 112 13.883 -17.814 15.733 1.00 0.00 H new ATOM 0 HA LEU A 112 14.635 -15.044 16.065 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.926 -15.637 14.229 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.831 -16.136 15.502 1.00 0.00 H new ATOM 0 HG LEU A 112 11.753 -14.020 16.430 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.682 -11.913 15.567 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.880 -13.012 16.291 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.766 -12.862 14.522 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.831 -12.654 14.401 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.668 -13.804 13.331 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.324 -14.360 14.356 1.00 0.00 H new ATOM 1712 N GLY A 113 12.469 -16.500 18.100 1.00 0.00 N ATOM 1713 CA GLY A 113 11.979 -16.438 19.442 1.00 0.00 C ATOM 1714 C GLY A 113 11.128 -17.552 19.948 1.00 0.00 C ATOM 1715 O GLY A 113 11.371 -18.164 20.987 1.00 0.00 O ATOM 0 H GLY A 113 11.991 -17.203 17.536 1.00 0.00 H new ATOM 0 HA2 GLY A 113 12.841 -16.354 20.104 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.408 -15.515 19.543 1.00 0.00 H new ATOM 1719 N GLU A 114 9.993 -17.784 19.267 1.00 0.00 N ATOM 1720 CA GLU A 114 9.067 -18.812 19.630 1.00 0.00 C ATOM 1721 C GLU A 114 9.546 -20.117 19.092 1.00 0.00 C ATOM 1722 O GLU A 114 9.985 -20.217 17.947 1.00 0.00 O ATOM 1723 CB GLU A 114 7.633 -18.679 19.092 1.00 0.00 C ATOM 1724 CG GLU A 114 7.062 -17.411 19.731 1.00 0.00 C ATOM 1725 CD GLU A 114 5.597 -17.203 19.372 1.00 0.00 C ATOM 1726 OE1 GLU A 114 5.286 -16.746 18.240 1.00 0.00 O ATOM 1727 OE2 GLU A 114 4.679 -17.408 20.210 1.00 0.00 O ATOM 0 H GLU A 114 9.712 -17.247 18.447 1.00 0.00 H new ATOM 0 HA GLU A 114 9.027 -18.733 20.716 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.629 -18.604 18.005 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.035 -19.552 19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.165 -17.473 20.814 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.642 -16.548 19.405 1.00 0.00 H new ATOM 1734 N LYS A 115 9.602 -21.206 19.879 1.00 0.00 N ATOM 1735 CA LYS A 115 10.380 -22.342 19.494 1.00 0.00 C ATOM 1736 C LYS A 115 9.635 -23.270 18.599 1.00 0.00 C ATOM 1737 O LYS A 115 8.629 -23.927 18.864 1.00 0.00 O ATOM 1738 CB LYS A 115 10.978 -23.059 20.716 1.00 0.00 C ATOM 1739 CG LYS A 115 12.049 -22.335 21.534 1.00 0.00 C ATOM 1740 CD LYS A 115 13.311 -22.157 20.687 1.00 0.00 C ATOM 1741 CE LYS A 115 14.348 -21.214 21.300 1.00 0.00 C ATOM 1742 NZ LYS A 115 13.792 -19.844 21.349 1.00 0.00 N ATOM 0 H LYS A 115 9.116 -21.300 20.771 1.00 0.00 H new ATOM 0 HA LYS A 115 11.216 -21.966 18.904 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.158 -23.307 21.389 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.404 -24.001 20.372 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.677 -21.363 21.859 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.280 -22.905 22.434 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.771 -23.133 20.530 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.026 -21.778 19.706 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.612 -21.548 22.303 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.263 -21.227 20.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.429 -19.193 20.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.857 -19.833 20.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.699 -19.542 22.340 1.00 0.00 H new ATOM 1756 N LEU A 116 10.134 -23.492 17.370 1.00 0.00 N ATOM 1757 CA LEU A 116 9.502 -24.318 16.389 1.00 0.00 C ATOM 1758 C LEU A 116 10.455 -25.458 16.278 1.00 0.00 C ATOM 1759 O LEU A 116 11.631 -25.188 16.041 1.00 0.00 O ATOM 1760 CB LEU A 116 9.389 -23.540 15.067 1.00 0.00 C ATOM 1761 CG LEU A 116 8.634 -22.204 15.166 1.00 0.00 C ATOM 1762 CD1 LEU A 116 8.731 -21.493 13.805 1.00 0.00 C ATOM 1763 CD2 LEU A 116 7.175 -22.364 15.625 1.00 0.00 C ATOM 0 H LEU A 116 11.010 -23.081 17.048 1.00 0.00 H new ATOM 0 HA LEU A 116 8.490 -24.638 16.638 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.393 -23.346 14.689 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.888 -24.171 14.333 1.00 0.00 H new ATOM 0 HG LEU A 116 9.103 -21.597 15.940 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.201 -20.542 13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.778 -21.313 13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.282 -22.120 13.034 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.699 -21.384 15.674 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.637 -22.993 14.916 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.153 -22.828 16.611 1.00 0.00 H new ATOM 1775 N THR A 117 10.033 -26.729 16.399 1.00 0.00 N ATOM 1776 CA THR A 117 10.838 -27.870 16.090 1.00 0.00 C ATOM 1777 C THR A 117 11.048 -27.922 14.616 1.00 0.00 C ATOM 1778 O THR A 117 10.637 -27.016 13.893 1.00 0.00 O ATOM 1779 CB THR A 117 10.170 -29.091 16.648 1.00 0.00 C ATOM 1780 OG1 THR A 117 8.876 -29.349 16.123 1.00 0.00 O ATOM 1781 CG2 THR A 117 9.936 -28.989 18.164 1.00 0.00 C ATOM 0 H THR A 117 9.097 -26.971 16.724 1.00 0.00 H new ATOM 0 HA THR A 117 11.826 -27.811 16.547 1.00 0.00 H new ATOM 0 HB THR A 117 10.868 -29.881 16.372 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.511 -30.160 16.535 1.00 0.00 H new ATOM 0 HG21 THR A 117 9.450 -29.898 18.519 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.892 -28.867 18.672 1.00 0.00 H new ATOM 0 HG23 THR A 117 9.299 -28.130 18.377 1.00 0.00 H new ATOM 1789 N ASP A 118 11.687 -28.987 14.099 1.00 0.00 N ATOM 1790 CA ASP A 118 11.963 -29.324 12.737 1.00 0.00 C ATOM 1791 C ASP A 118 10.613 -29.575 12.158 1.00 0.00 C ATOM 1792 O ASP A 118 10.315 -29.066 11.079 1.00 0.00 O ATOM 1793 CB ASP A 118 12.822 -30.589 12.569 1.00 0.00 C ATOM 1794 CG ASP A 118 14.230 -30.020 12.670 1.00 0.00 C ATOM 1795 OD1 ASP A 118 14.725 -29.488 11.641 1.00 0.00 O ATOM 1796 OD2 ASP A 118 14.891 -30.103 13.739 1.00 0.00 O ATOM 0 H ASP A 118 12.057 -29.704 14.724 1.00 0.00 H new ATOM 0 HA ASP A 118 12.533 -28.528 12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.622 -31.326 13.346 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.646 -31.079 11.612 1.00 0.00 H new ATOM 1801 N GLU A 119 9.732 -30.380 12.779 1.00 0.00 N ATOM 1802 CA GLU A 119 8.495 -30.826 12.219 1.00 0.00 C ATOM 1803 C GLU A 119 7.485 -29.732 12.173 1.00 0.00 C ATOM 1804 O GLU A 119 6.681 -29.634 11.247 1.00 0.00 O ATOM 1805 CB GLU A 119 7.817 -32.093 12.768 1.00 0.00 C ATOM 1806 CG GLU A 119 8.676 -33.334 12.518 1.00 0.00 C ATOM 1807 CD GLU A 119 7.853 -34.607 12.657 1.00 0.00 C ATOM 1808 OE1 GLU A 119 6.734 -34.691 12.083 1.00 0.00 O ATOM 1809 OE2 GLU A 119 8.232 -35.464 13.499 1.00 0.00 O ATOM 0 H GLU A 119 9.892 -30.738 13.721 1.00 0.00 H new ATOM 0 HA GLU A 119 8.843 -31.132 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.640 -31.979 13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.843 -32.221 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.110 -33.285 11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.505 -33.354 13.225 1.00 0.00 H new ATOM 1816 N GLU A 120 7.504 -28.834 13.174 1.00 0.00 N ATOM 1817 CA GLU A 120 6.736 -27.628 13.183 1.00 0.00 C ATOM 1818 C GLU A 120 7.248 -26.711 12.126 1.00 0.00 C ATOM 1819 O GLU A 120 6.404 -26.276 11.345 1.00 0.00 O ATOM 1820 CB GLU A 120 6.715 -26.925 14.551 1.00 0.00 C ATOM 1821 CG GLU A 120 5.483 -26.049 14.789 1.00 0.00 C ATOM 1822 CD GLU A 120 5.448 -25.581 16.237 1.00 0.00 C ATOM 1823 OE1 GLU A 120 6.350 -25.862 17.071 1.00 0.00 O ATOM 1824 OE2 GLU A 120 4.544 -24.754 16.531 1.00 0.00 O ATOM 0 H GLU A 120 8.077 -28.953 14.010 1.00 0.00 H new ATOM 0 HA GLU A 120 5.701 -27.901 12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.767 -27.680 15.335 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.609 -26.308 14.643 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.504 -25.188 14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.578 -26.610 14.558 1.00 0.00 H new ATOM 1831 N VAL A 121 8.561 -26.485 11.943 1.00 0.00 N ATOM 1832 CA VAL A 121 9.031 -25.538 10.980 1.00 0.00 C ATOM 1833 C VAL A 121 8.808 -25.981 9.575 1.00 0.00 C ATOM 1834 O VAL A 121 8.447 -25.205 8.692 1.00 0.00 O ATOM 1835 CB VAL A 121 10.443 -25.090 11.220 1.00 0.00 C ATOM 1836 CG1 VAL A 121 11.477 -25.915 10.436 1.00 0.00 C ATOM 1837 CG2 VAL A 121 10.295 -23.585 10.939 1.00 0.00 C ATOM 0 H VAL A 121 9.299 -26.959 12.463 1.00 0.00 H new ATOM 0 HA VAL A 121 8.412 -24.653 11.127 1.00 0.00 H new ATOM 0 HB VAL A 121 10.867 -25.257 12.210 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.479 -25.543 10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.407 -26.962 10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.279 -25.826 9.368 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.259 -23.093 11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.951 -23.438 9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.570 -23.155 11.630 1.00 0.00 H new ATOM 1847 N ASP A 122 8.886 -27.271 9.201 1.00 0.00 N ATOM 1848 CA ASP A 122 8.541 -27.849 7.939 1.00 0.00 C ATOM 1849 C ASP A 122 7.086 -27.721 7.646 1.00 0.00 C ATOM 1850 O ASP A 122 6.590 -27.416 6.562 1.00 0.00 O ATOM 1851 CB ASP A 122 8.930 -29.332 7.820 1.00 0.00 C ATOM 1852 CG ASP A 122 10.404 -29.550 7.510 1.00 0.00 C ATOM 1853 OD1 ASP A 122 10.857 -29.170 6.397 1.00 0.00 O ATOM 1854 OD2 ASP A 122 11.143 -30.098 8.370 1.00 0.00 O ATOM 0 H ASP A 122 9.226 -27.979 9.851 1.00 0.00 H new ATOM 0 HA ASP A 122 9.119 -27.281 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.684 -29.840 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 122 8.330 -29.795 7.037 1.00 0.00 H new ATOM 1859 N GLU A 123 6.258 -27.909 8.689 1.00 0.00 N ATOM 1860 CA GLU A 123 4.846 -27.772 8.509 1.00 0.00 C ATOM 1861 C GLU A 123 4.347 -26.399 8.217 1.00 0.00 C ATOM 1862 O GLU A 123 3.556 -26.167 7.304 1.00 0.00 O ATOM 1863 CB GLU A 123 4.079 -28.339 9.715 1.00 0.00 C ATOM 1864 CG GLU A 123 2.575 -28.484 9.478 1.00 0.00 C ATOM 1865 CD GLU A 123 1.885 -28.965 10.746 1.00 0.00 C ATOM 1866 OE1 GLU A 123 2.417 -29.928 11.361 1.00 0.00 O ATOM 1867 OE2 GLU A 123 0.823 -28.477 11.216 1.00 0.00 O ATOM 0 H GLU A 123 6.556 -28.150 9.634 1.00 0.00 H new ATOM 0 HA GLU A 123 4.652 -28.350 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.493 -29.315 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 123 4.241 -27.689 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.155 -27.527 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.394 -29.190 8.667 1.00 0.00 H new ATOM 1874 N MET A 124 5.048 -25.455 8.870 1.00 0.00 N ATOM 1875 CA MET A 124 4.899 -24.057 8.610 1.00 0.00 C ATOM 1876 C MET A 124 5.367 -23.618 7.265 1.00 0.00 C ATOM 1877 O MET A 124 4.652 -22.958 6.512 1.00 0.00 O ATOM 1878 CB MET A 124 5.501 -23.251 9.773 1.00 0.00 C ATOM 1879 CG MET A 124 5.184 -21.757 9.862 1.00 0.00 C ATOM 1880 SD MET A 124 6.155 -20.779 11.048 1.00 0.00 S ATOM 1881 CE MET A 124 5.414 -19.144 10.773 1.00 0.00 C ATOM 0 H MET A 124 5.733 -25.668 9.595 1.00 0.00 H new ATOM 0 HA MET A 124 3.830 -23.847 8.563 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.175 -23.716 10.703 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.585 -23.358 9.726 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.320 -21.322 8.872 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.130 -21.649 10.116 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.893 -18.413 11.424 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.555 -18.851 9.733 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.348 -19.185 10.997 1.00 0.00 H new ATOM 1891 N ILE A 125 6.581 -24.046 6.876 1.00 0.00 N ATOM 1892 CA ILE A 125 7.210 -23.803 5.615 1.00 0.00 C ATOM 1893 C ILE A 125 6.421 -24.313 4.459 1.00 0.00 C ATOM 1894 O ILE A 125 6.297 -23.687 3.407 1.00 0.00 O ATOM 1895 CB ILE A 125 8.657 -24.193 5.682 1.00 0.00 C ATOM 1896 CG1 ILE A 125 9.427 -23.357 6.718 1.00 0.00 C ATOM 1897 CG2 ILE A 125 9.300 -24.263 4.287 1.00 0.00 C ATOM 1898 CD1 ILE A 125 10.798 -23.949 7.040 1.00 0.00 C ATOM 0 H ILE A 125 7.168 -24.606 7.494 1.00 0.00 H new ATOM 0 HA ILE A 125 7.217 -22.733 5.407 1.00 0.00 H new ATOM 0 HB ILE A 125 8.719 -25.215 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.552 -22.342 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.840 -23.287 7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.347 -24.549 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.776 -25.003 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.233 -23.287 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.301 -23.322 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 125 10.675 -24.954 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 125 11.398 -23.994 6.131 1.00 0.00 H new ATOM 1910 N ARG A 126 5.928 -25.559 4.574 1.00 0.00 N ATOM 1911 CA ARG A 126 5.105 -26.156 3.569 1.00 0.00 C ATOM 1912 C ARG A 126 3.829 -25.425 3.328 1.00 0.00 C ATOM 1913 O ARG A 126 3.462 -25.173 2.181 1.00 0.00 O ATOM 1914 CB ARG A 126 4.870 -27.629 3.946 1.00 0.00 C ATOM 1915 CG ARG A 126 3.918 -28.301 2.955 1.00 0.00 C ATOM 1916 CD ARG A 126 3.860 -29.825 3.086 1.00 0.00 C ATOM 1917 NE ARG A 126 2.801 -30.309 2.156 1.00 0.00 N ATOM 1918 CZ ARG A 126 2.151 -31.501 2.290 1.00 0.00 C ATOM 1919 NH1 ARG A 126 2.584 -32.581 3.004 1.00 0.00 N ATOM 1920 NH2 ARG A 126 0.905 -31.513 1.733 1.00 0.00 N ATOM 0 H ARG A 126 6.104 -26.162 5.378 1.00 0.00 H new ATOM 0 HA ARG A 126 5.630 -26.096 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.821 -28.161 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.456 -27.689 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.916 -27.896 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.225 -28.045 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.823 -30.269 2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.632 -30.114 4.112 1.00 0.00 H new ATOM 0 HE ARG A 126 2.546 -29.711 1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.473 -32.540 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.018 -33.429 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.545 -30.678 1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.334 -32.357 1.778 1.00 0.00 H new ATOM 1934 N GLU A 127 3.191 -24.804 4.336 1.00 0.00 N ATOM 1935 CA GLU A 127 2.003 -24.029 4.156 1.00 0.00 C ATOM 1936 C GLU A 127 2.210 -22.624 3.705 1.00 0.00 C ATOM 1937 O GLU A 127 1.438 -22.064 2.928 1.00 0.00 O ATOM 1938 CB GLU A 127 1.223 -23.989 5.481 1.00 0.00 C ATOM 1939 CG GLU A 127 -0.255 -23.621 5.328 1.00 0.00 C ATOM 1940 CD GLU A 127 -1.060 -24.575 4.458 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -1.334 -25.737 4.860 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -1.546 -24.112 3.392 1.00 0.00 O ATOM 0 H GLU A 127 3.511 -24.842 5.304 1.00 0.00 H new ATOM 0 HA GLU A 127 1.461 -24.529 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.295 -24.965 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.698 -23.269 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.710 -23.581 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.324 -22.619 4.905 1.00 0.00 H new ATOM 1949 N ALA A 128 3.416 -22.111 4.008 1.00 0.00 N ATOM 1950 CA ALA A 128 3.867 -20.909 3.378 1.00 0.00 C ATOM 1951 C ALA A 128 4.109 -20.760 1.915 1.00 0.00 C ATOM 1952 O ALA A 128 3.858 -19.689 1.364 1.00 0.00 O ATOM 1953 CB ALA A 128 5.247 -20.686 4.018 1.00 0.00 C ATOM 0 H ALA A 128 4.069 -22.520 4.677 1.00 0.00 H new ATOM 0 HA ALA A 128 3.023 -20.234 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.696 -19.781 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.135 -20.579 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.890 -21.540 3.803 1.00 0.00 H new ATOM 1959 N ASP A 129 4.573 -21.765 1.151 1.00 0.00 N ATOM 1960 CA ASP A 129 4.796 -21.743 -0.261 1.00 0.00 C ATOM 1961 C ASP A 129 3.498 -22.109 -0.894 1.00 0.00 C ATOM 1962 O ASP A 129 3.129 -23.280 -0.813 1.00 0.00 O ATOM 1963 CB ASP A 129 6.036 -22.586 -0.602 1.00 0.00 C ATOM 1964 CG ASP A 129 6.385 -22.319 -2.059 1.00 0.00 C ATOM 1965 OD1 ASP A 129 5.847 -21.463 -2.812 1.00 0.00 O ATOM 1966 OD2 ASP A 129 7.246 -23.135 -2.484 1.00 0.00 O ATOM 0 H ASP A 129 4.812 -22.669 1.558 1.00 0.00 H new ATOM 0 HA ASP A 129 5.062 -20.769 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.870 -22.320 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.834 -23.645 -0.444 1.00 0.00 H new ATOM 1971 N ILE A 130 2.801 -21.171 -1.560 1.00 0.00 N ATOM 1972 CA ILE A 130 1.611 -21.310 -2.342 1.00 0.00 C ATOM 1973 C ILE A 130 1.842 -22.006 -3.639 1.00 0.00 C ATOM 1974 O ILE A 130 1.127 -22.800 -4.247 1.00 0.00 O ATOM 1975 CB ILE A 130 0.828 -20.038 -2.478 1.00 0.00 C ATOM 1976 CG1 ILE A 130 0.664 -19.354 -1.110 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -0.526 -20.387 -3.117 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -0.293 -19.900 -0.051 1.00 0.00 C ATOM 0 H ILE A 130 3.112 -20.200 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 130 0.966 -21.974 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 130 1.353 -19.326 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.653 -19.318 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.365 -18.324 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.120 -19.480 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.361 -20.836 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.058 -21.093 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -0.253 -19.268 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.308 -19.907 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.001 -20.916 0.215 1.00 0.00 H new ATOM 1990 N ASP A 131 3.049 -21.751 -4.174 1.00 0.00 N ATOM 1991 CA ASP A 131 3.406 -22.338 -5.429 1.00 0.00 C ATOM 1992 C ASP A 131 3.761 -23.781 -5.321 1.00 0.00 C ATOM 1993 O ASP A 131 3.137 -24.582 -6.016 1.00 0.00 O ATOM 1994 CB ASP A 131 4.546 -21.531 -6.073 1.00 0.00 C ATOM 1995 CG ASP A 131 3.991 -20.124 -6.242 1.00 0.00 C ATOM 1996 OD1 ASP A 131 2.937 -19.906 -6.899 1.00 0.00 O ATOM 1997 OD2 ASP A 131 4.568 -19.286 -5.500 1.00 0.00 O ATOM 0 H ASP A 131 3.761 -21.155 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 131 2.525 -22.298 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.434 -21.531 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.837 -21.958 -7.033 1.00 0.00 H new ATOM 2002 N GLY A 132 4.779 -24.064 -4.489 1.00 0.00 N ATOM 2003 CA GLY A 132 5.491 -25.304 -4.495 1.00 0.00 C ATOM 2004 C GLY A 132 6.847 -25.107 -5.082 1.00 0.00 C ATOM 2005 O GLY A 132 7.616 -26.059 -5.200 1.00 0.00 O ATOM 0 H GLY A 132 5.118 -23.406 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.577 -25.689 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 132 4.940 -26.047 -5.071 1.00 0.00 H new ATOM 2009 N ASP A 133 7.263 -23.883 -5.452 1.00 0.00 N ATOM 2010 CA ASP A 133 8.563 -23.669 -6.008 1.00 0.00 C ATOM 2011 C ASP A 133 9.730 -23.802 -5.091 1.00 0.00 C ATOM 2012 O ASP A 133 10.856 -24.079 -5.500 1.00 0.00 O ATOM 2013 CB ASP A 133 8.521 -22.372 -6.834 1.00 0.00 C ATOM 2014 CG ASP A 133 8.038 -21.072 -6.207 1.00 0.00 C ATOM 2015 OD1 ASP A 133 7.597 -21.011 -5.028 1.00 0.00 O ATOM 2016 OD2 ASP A 133 8.012 -20.063 -6.961 1.00 0.00 O ATOM 0 H ASP A 133 6.697 -23.039 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 133 8.777 -24.514 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 133 9.530 -22.194 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.891 -22.564 -7.702 1.00 0.00 H new ATOM 2021 N GLY A 134 9.504 -23.700 -3.769 1.00 0.00 N ATOM 2022 CA GLY A 134 10.582 -23.830 -2.839 1.00 0.00 C ATOM 2023 C GLY A 134 10.811 -22.570 -2.077 1.00 0.00 C ATOM 2024 O GLY A 134 11.598 -22.537 -1.132 1.00 0.00 O ATOM 0 H GLY A 134 8.590 -23.530 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.366 -24.641 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 134 11.492 -24.102 -3.373 1.00 0.00 H new ATOM 2028 N GLN A 135 10.162 -21.466 -2.486 1.00 0.00 N ATOM 2029 CA GLN A 135 10.442 -20.134 -2.046 1.00 0.00 C ATOM 2030 C GLN A 135 9.274 -19.282 -1.686 1.00 0.00 C ATOM 2031 O GLN A 135 8.208 -19.530 -2.247 1.00 0.00 O ATOM 2032 CB GLN A 135 11.239 -19.303 -3.066 1.00 0.00 C ATOM 2033 CG GLN A 135 10.562 -19.128 -4.427 1.00 0.00 C ATOM 2034 CD GLN A 135 11.534 -18.493 -5.411 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.756 -18.428 -5.285 1.00 0.00 O ATOM 2036 NE2 GLN A 135 10.936 -17.859 -6.455 1.00 0.00 N ATOM 0 H GLN A 135 9.399 -21.505 -3.162 1.00 0.00 H new ATOM 0 HA GLN A 135 11.013 -20.358 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.427 -18.317 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.210 -19.775 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 135 10.229 -20.095 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 135 9.675 -18.503 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.923 -17.907 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 135 11.500 -17.336 -7.125 1.00 0.00 H new ATOM 2045 N VAL A 136 9.417 -18.179 -0.930 1.00 0.00 N ATOM 2046 CA VAL A 136 8.353 -17.315 -0.521 1.00 0.00 C ATOM 2047 C VAL A 136 8.520 -15.970 -1.142 1.00 0.00 C ATOM 2048 O VAL A 136 9.622 -15.428 -1.210 1.00 0.00 O ATOM 2049 CB VAL A 136 8.298 -17.148 0.968 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.988 -15.777 1.592 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.229 -18.160 1.414 1.00 0.00 C ATOM 0 H VAL A 136 10.327 -17.873 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 136 7.424 -17.780 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 136 9.319 -17.293 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.994 -15.862 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.744 -15.056 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 136 7.006 -15.440 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.114 -18.114 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.279 -17.919 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.536 -19.165 1.124 1.00 0.00 H new ATOM 2061 N ASN A 137 7.433 -15.377 -1.667 1.00 0.00 N ATOM 2062 CA ASN A 137 7.452 -14.046 -2.191 1.00 0.00 C ATOM 2063 C ASN A 137 6.779 -13.107 -1.250 1.00 0.00 C ATOM 2064 O ASN A 137 6.488 -13.468 -0.111 1.00 0.00 O ATOM 2065 CB ASN A 137 7.033 -13.950 -3.668 1.00 0.00 C ATOM 2066 CG ASN A 137 5.559 -14.264 -3.879 1.00 0.00 C ATOM 2067 OD1 ASN A 137 4.767 -14.125 -2.948 1.00 0.00 O ATOM 2068 ND2 ASN A 137 5.183 -14.826 -5.059 1.00 0.00 N ATOM 0 H ASN A 137 6.522 -15.831 -1.729 1.00 0.00 H new ATOM 0 HA ASN A 137 8.488 -13.712 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 137 7.243 -12.946 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 137 7.636 -14.640 -4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 137 4.223 -15.145 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 137 5.861 -14.929 -5.814 1.00 0.00 H new ATOM 2075 N TYR A 138 6.514 -11.850 -1.650 1.00 0.00 N ATOM 2076 CA TYR A 138 5.946 -10.885 -0.761 1.00 0.00 C ATOM 2077 C TYR A 138 4.498 -11.179 -0.568 1.00 0.00 C ATOM 2078 O TYR A 138 4.002 -11.186 0.558 1.00 0.00 O ATOM 2079 CB TYR A 138 6.203 -9.437 -1.213 1.00 0.00 C ATOM 2080 CG TYR A 138 5.587 -8.499 -0.233 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.886 -8.593 1.105 1.00 0.00 C ATOM 2082 CD2 TYR A 138 4.572 -7.661 -0.631 1.00 0.00 C ATOM 2083 CE1 TYR A 138 5.154 -7.947 2.073 1.00 0.00 C ATOM 2084 CE2 TYR A 138 3.968 -6.829 0.281 1.00 0.00 C ATOM 2085 CZ TYR A 138 4.185 -7.086 1.615 1.00 0.00 C ATOM 2086 OH TYR A 138 3.361 -6.528 2.616 1.00 0.00 O ATOM 0 H TYR A 138 6.694 -11.502 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 138 6.446 -10.970 0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 138 7.275 -9.252 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 138 5.782 -9.273 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.728 -9.197 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.249 -7.657 -1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.329 -8.106 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 138 3.347 -6.005 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 138 2.704 -5.930 2.203 1.00 0.00 H new ATOM 2096 N GLU A 139 3.725 -11.590 -1.589 1.00 0.00 N ATOM 2097 CA GLU A 139 2.330 -11.876 -1.463 1.00 0.00 C ATOM 2098 C GLU A 139 2.111 -13.093 -0.631 1.00 0.00 C ATOM 2099 O GLU A 139 1.168 -13.192 0.152 1.00 0.00 O ATOM 2100 CB GLU A 139 1.744 -12.038 -2.876 1.00 0.00 C ATOM 2101 CG GLU A 139 0.256 -12.329 -3.076 1.00 0.00 C ATOM 2102 CD GLU A 139 -0.097 -12.206 -4.552 1.00 0.00 C ATOM 2103 OE1 GLU A 139 0.305 -11.218 -5.222 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -0.764 -13.143 -5.067 1.00 0.00 O ATOM 0 H GLU A 139 4.083 -11.728 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 139 1.822 -11.057 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.968 -11.122 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 139 2.296 -12.842 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 139 0.020 -13.331 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.343 -11.632 -2.490 1.00 0.00 H new ATOM 2111 N GLU A 140 2.989 -14.097 -0.807 1.00 0.00 N ATOM 2112 CA GLU A 140 2.973 -15.224 0.073 1.00 0.00 C ATOM 2113 C GLU A 140 3.345 -14.891 1.477 1.00 0.00 C ATOM 2114 O GLU A 140 2.731 -15.454 2.382 1.00 0.00 O ATOM 2115 CB GLU A 140 3.985 -16.266 -0.434 1.00 0.00 C ATOM 2116 CG GLU A 140 3.638 -16.850 -1.804 1.00 0.00 C ATOM 2117 CD GLU A 140 4.676 -17.855 -2.283 1.00 0.00 C ATOM 2118 OE1 GLU A 140 5.827 -17.479 -2.630 1.00 0.00 O ATOM 2119 OE2 GLU A 140 4.308 -19.028 -2.559 1.00 0.00 O ATOM 0 H GLU A 140 3.696 -14.130 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 140 1.949 -15.597 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 140 4.971 -15.805 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.050 -17.078 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 140 2.663 -17.334 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.555 -16.042 -2.531 1.00 0.00 H new ATOM 2126 N PHE A 141 4.350 -14.066 1.819 1.00 0.00 N ATOM 2127 CA PHE A 141 4.676 -13.547 3.111 1.00 0.00 C ATOM 2128 C PHE A 141 3.493 -12.884 3.729 1.00 0.00 C ATOM 2129 O PHE A 141 3.292 -13.144 4.914 1.00 0.00 O ATOM 2130 CB PHE A 141 6.007 -12.775 3.080 1.00 0.00 C ATOM 2131 CG PHE A 141 6.519 -12.476 4.447 1.00 0.00 C ATOM 2132 CD1 PHE A 141 7.088 -13.547 5.093 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.600 -11.229 5.020 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.789 -13.406 6.268 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.374 -11.047 6.142 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.947 -12.132 6.761 1.00 0.00 C ATOM 0 H PHE A 141 5.003 -13.728 1.112 1.00 0.00 H new ATOM 0 HA PHE A 141 4.892 -14.352 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.750 -13.358 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.871 -11.842 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.981 -14.532 4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.059 -10.398 4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.199 -14.262 6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.531 -10.054 6.536 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.534 -11.981 7.655 1.00 0.00 H new ATOM 2146 N VAL A 142 2.702 -12.086 2.990 1.00 0.00 N ATOM 2147 CA VAL A 142 1.566 -11.440 3.571 1.00 0.00 C ATOM 2148 C VAL A 142 0.549 -12.397 4.093 1.00 0.00 C ATOM 2149 O VAL A 142 0.268 -12.353 5.290 1.00 0.00 O ATOM 2150 CB VAL A 142 0.899 -10.465 2.648 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -0.345 -9.848 3.309 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.785 -9.239 2.369 1.00 0.00 C ATOM 0 H VAL A 142 2.846 -11.889 2.000 1.00 0.00 H new ATOM 0 HA VAL A 142 1.982 -10.885 4.412 1.00 0.00 H new ATOM 0 HB VAL A 142 0.678 -11.037 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.812 -9.144 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.055 -10.637 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.052 -9.325 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.263 -8.559 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.003 -8.727 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.718 -9.562 1.907 1.00 0.00 H new ATOM 2162 N GLN A 143 0.000 -13.286 3.247 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.900 -14.321 3.654 1.00 0.00 C ATOM 2164 C GLN A 143 -0.321 -15.096 4.787 1.00 0.00 C ATOM 2165 O GLN A 143 -1.005 -15.302 5.789 1.00 0.00 O ATOM 2166 CB GLN A 143 -1.280 -15.160 2.422 1.00 0.00 C ATOM 2167 CG GLN A 143 -2.186 -16.328 2.817 1.00 0.00 C ATOM 2168 CD GLN A 143 -2.805 -17.041 1.623 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -2.864 -16.499 0.520 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -3.433 -18.215 1.898 1.00 0.00 N ATOM 0 H GLN A 143 0.189 -13.285 2.245 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.830 -13.908 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -1.788 -14.531 1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -0.378 -15.540 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -1.609 -17.045 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.982 -15.959 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.357 -18.629 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.980 -18.682 1.175 1.00 0.00 H new ATOM 2179 N MET A 144 0.934 -15.569 4.690 1.00 0.00 N ATOM 2180 CA MET A 144 1.723 -16.339 5.601 1.00 0.00 C ATOM 2181 C MET A 144 1.766 -15.732 6.961 1.00 0.00 C ATOM 2182 O MET A 144 1.540 -16.406 7.965 1.00 0.00 O ATOM 2183 CB MET A 144 3.167 -16.609 5.146 1.00 0.00 C ATOM 2184 CG MET A 144 4.130 -17.264 6.139 1.00 0.00 C ATOM 2185 SD MET A 144 5.853 -17.107 5.581 1.00 0.00 S ATOM 2186 CE MET A 144 6.559 -17.680 7.153 1.00 0.00 C ATOM 0 H MET A 144 1.470 -15.379 3.843 1.00 0.00 H new ATOM 0 HA MET A 144 1.205 -17.298 5.626 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.123 -17.241 4.259 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.602 -15.658 4.839 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.018 -16.800 7.119 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.877 -18.318 6.255 1.00 0.00 H new ATOM 0 HE1 MET A 144 7.647 -17.681 7.084 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.247 -17.013 7.957 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.208 -18.690 7.363 1.00 0.00 H new ATOM 2196 N MET A 145 2.034 -14.417 7.047 1.00 0.00 N ATOM 2197 CA MET A 145 2.248 -13.757 8.298 1.00 0.00 C ATOM 2198 C MET A 145 0.967 -13.240 8.856 1.00 0.00 C ATOM 2199 O MET A 145 0.926 -12.900 10.038 1.00 0.00 O ATOM 2200 CB MET A 145 3.093 -12.482 8.144 1.00 0.00 C ATOM 2201 CG MET A 145 4.561 -12.784 7.837 1.00 0.00 C ATOM 2202 SD MET A 145 5.457 -13.283 9.339 1.00 0.00 S ATOM 2203 CE MET A 145 5.720 -11.633 10.050 1.00 0.00 C ATOM 0 H MET A 145 2.103 -13.802 6.236 1.00 0.00 H new ATOM 0 HA MET A 145 2.730 -14.506 8.927 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.677 -11.869 7.345 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.030 -11.896 9.061 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.624 -13.577 7.092 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.034 -11.902 7.404 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.788 -11.462 10.186 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.314 -10.878 9.377 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.216 -11.568 11.014 1.00 0.00 H new