USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 12 SER OG : rot -74:sc= 1.19 USER MOD Set 1.2: A 15 HIS :FLIP no HE2:sc= -3.2! C(o=-2.9!,f=-2!) USER MOD Single : A 3 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0685) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.9 USER MOD Single : A 34 ASN : amide:sc= -0.553 K(o=-0.55,f=-2.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= -2.95! USER MOD Single : A 38 ASN : amide:sc=-0.000878 X(o=-0.00088,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -89:sc= 1.04 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.0841 (180deg=-0.328) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 10:sc= 0.916! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 75 ASN : amide:sc= -5.98 K(o=-6,f=-21!) USER MOD Single : A 80 THR OG1 : rot 90:sc= 0.607 USER MOD Single : A 81 MET CE :methyl -119:sc= -0.167 (180deg=-1.27) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -40:sc= 0.0717 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.434 -0.453 8.484 1.00 0.00 N ATOM 12 CA GLN A 3 7.002 -0.151 8.122 1.00 0.00 C ATOM 13 C GLN A 3 6.757 1.367 8.020 1.00 0.00 C ATOM 14 O GLN A 3 7.685 2.148 7.932 1.00 0.00 O ATOM 15 CB GLN A 3 6.059 -0.784 9.163 1.00 0.00 C ATOM 16 CG GLN A 3 6.235 -0.120 10.532 1.00 0.00 C ATOM 17 CD GLN A 3 5.103 -0.559 11.463 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.029 -0.907 11.011 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.297 -0.560 12.752 1.00 0.00 N ATOM 0 HA GLN A 3 6.796 -0.582 7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.025 -0.680 8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.263 -1.852 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.199 -0.395 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.232 0.965 10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.197 -0.268 13.132 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.548 -0.852 13.380 1.00 0.00 H new ATOM 28 N LYS A 4 5.514 1.783 8.029 1.00 0.00 N ATOM 29 CA LYS A 4 5.198 3.241 7.935 1.00 0.00 C ATOM 30 C LYS A 4 3.679 3.424 7.918 1.00 0.00 C ATOM 31 O LYS A 4 2.931 2.466 7.865 1.00 0.00 O ATOM 32 CB LYS A 4 5.804 3.822 6.645 1.00 0.00 C ATOM 33 CG LYS A 4 6.569 5.118 6.958 1.00 0.00 C ATOM 34 CD LYS A 4 5.794 6.324 6.419 1.00 0.00 C ATOM 35 CE LYS A 4 6.778 7.422 6.011 1.00 0.00 C ATOM 36 NZ LYS A 4 7.162 8.218 7.211 1.00 0.00 N ATOM 0 H LYS A 4 4.701 1.171 8.098 1.00 0.00 H new ATOM 0 HA LYS A 4 5.621 3.763 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.476 3.095 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.014 4.023 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.710 5.217 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.562 5.082 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.188 6.027 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.109 6.699 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.664 6.980 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.325 8.071 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.831 8.964 6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.313 8.651 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.611 7.595 7.912 1.00 0.00 H new ATOM 50 N THR A 5 3.222 4.648 7.957 1.00 0.00 N ATOM 51 CA THR A 5 1.753 4.907 7.940 1.00 0.00 C ATOM 52 C THR A 5 1.454 6.051 6.971 1.00 0.00 C ATOM 53 O THR A 5 1.742 7.200 7.247 1.00 0.00 O ATOM 54 CB THR A 5 1.282 5.290 9.344 1.00 0.00 C ATOM 55 OG1 THR A 5 1.772 4.342 10.281 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.246 5.308 9.385 1.00 0.00 C ATOM 0 H THR A 5 3.806 5.483 8.000 1.00 0.00 H new ATOM 0 HA THR A 5 1.228 4.007 7.618 1.00 0.00 H new ATOM 0 HB THR A 5 1.661 6.280 9.597 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.472 4.587 11.181 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.580 5.581 10.386 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.621 6.037 8.666 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.628 4.319 9.132 1.00 0.00 H new ATOM 64 N PHE A 6 0.880 5.742 5.836 1.00 0.00 N ATOM 65 CA PHE A 6 0.562 6.805 4.839 1.00 0.00 C ATOM 66 C PHE A 6 -0.872 7.292 5.048 1.00 0.00 C ATOM 67 O PHE A 6 -1.694 6.602 5.620 1.00 0.00 O ATOM 68 CB PHE A 6 0.704 6.236 3.426 1.00 0.00 C ATOM 69 CG PHE A 6 2.144 5.853 3.180 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.654 4.666 3.719 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.968 6.684 2.414 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.988 4.311 3.493 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.302 6.329 2.186 1.00 0.00 C ATOM 74 CZ PHE A 6 4.813 5.143 2.727 1.00 0.00 C ATOM 0 H PHE A 6 0.618 4.796 5.558 1.00 0.00 H new ATOM 0 HA PHE A 6 1.251 7.640 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.059 5.365 3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.382 6.974 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.017 4.024 4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.574 7.600 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.381 3.395 3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.938 6.970 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.843 4.870 2.553 1.00 0.00 H new ATOM 84 N LYS A 7 -1.175 8.477 4.582 1.00 0.00 N ATOM 85 CA LYS A 7 -2.555 9.020 4.742 1.00 0.00 C ATOM 86 C LYS A 7 -3.240 9.063 3.376 1.00 0.00 C ATOM 87 O LYS A 7 -2.936 9.901 2.547 1.00 0.00 O ATOM 88 CB LYS A 7 -2.486 10.434 5.326 1.00 0.00 C ATOM 89 CG LYS A 7 -2.268 10.361 6.844 1.00 0.00 C ATOM 90 CD LYS A 7 -3.188 11.365 7.551 1.00 0.00 C ATOM 91 CE LYS A 7 -2.824 12.796 7.137 1.00 0.00 C ATOM 92 NZ LYS A 7 -2.433 13.577 8.343 1.00 0.00 N ATOM 0 H LYS A 7 -0.523 9.093 4.096 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.124 8.380 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.673 10.991 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.408 10.973 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.473 9.352 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.227 10.578 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.228 11.158 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.096 11.256 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.004 12.781 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.672 13.270 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.186 14.548 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.228 13.602 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.612 13.128 8.796 1.00 0.00 H new ATOM 106 N VAL A 8 -4.161 8.165 3.138 1.00 0.00 N ATOM 107 CA VAL A 8 -4.872 8.143 1.827 1.00 0.00 C ATOM 108 C VAL A 8 -5.756 9.385 1.706 1.00 0.00 C ATOM 109 O VAL A 8 -6.653 9.600 2.499 1.00 0.00 O ATOM 110 CB VAL A 8 -5.738 6.883 1.737 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.374 6.795 0.348 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.867 5.648 1.975 1.00 0.00 C ATOM 0 H VAL A 8 -4.451 7.444 3.798 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.143 8.138 1.017 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.522 6.929 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.990 5.898 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.995 7.674 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.591 6.750 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.483 4.751 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.083 5.605 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.414 5.707 2.965 1.00 0.00 H new ATOM 122 N THR A 9 -5.506 10.202 0.715 1.00 0.00 N ATOM 123 CA THR A 9 -6.323 11.436 0.527 1.00 0.00 C ATOM 124 C THR A 9 -7.080 11.375 -0.808 1.00 0.00 C ATOM 125 O THR A 9 -7.976 12.161 -1.049 1.00 0.00 O ATOM 126 CB THR A 9 -5.403 12.658 0.531 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.481 12.550 1.606 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.238 13.928 0.697 1.00 0.00 C ATOM 0 H THR A 9 -4.767 10.066 0.025 1.00 0.00 H new ATOM 0 HA THR A 9 -7.044 11.511 1.341 1.00 0.00 H new ATOM 0 HB THR A 9 -4.858 12.706 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.889 13.331 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.581 14.798 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.944 14.009 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.785 13.883 1.639 1.00 0.00 H new ATOM 136 N ALA A 10 -6.732 10.452 -1.678 1.00 0.00 N ATOM 137 CA ALA A 10 -7.434 10.350 -2.994 1.00 0.00 C ATOM 138 C ALA A 10 -8.931 10.110 -2.766 1.00 0.00 C ATOM 139 O ALA A 10 -9.324 9.415 -1.848 1.00 0.00 O ATOM 140 CB ALA A 10 -6.850 9.185 -3.794 1.00 0.00 C ATOM 0 H ALA A 10 -5.991 9.766 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.297 11.279 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.361 9.110 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.787 9.356 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.985 8.258 -3.237 1.00 0.00 H new ATOM 146 N ASP A 11 -9.761 10.688 -3.595 1.00 0.00 N ATOM 147 CA ASP A 11 -11.234 10.511 -3.438 1.00 0.00 C ATOM 148 C ASP A 11 -11.609 9.047 -3.686 1.00 0.00 C ATOM 149 O ASP A 11 -10.821 8.273 -4.194 1.00 0.00 O ATOM 150 CB ASP A 11 -11.969 11.412 -4.440 1.00 0.00 C ATOM 151 CG ASP A 11 -11.565 11.060 -5.880 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.542 10.415 -6.056 1.00 0.00 O ATOM 153 OD2 ASP A 11 -12.288 11.446 -6.784 1.00 0.00 O ATOM 0 H ASP A 11 -9.479 11.278 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.525 10.787 -2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.046 11.296 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.736 12.457 -4.236 1.00 0.00 H new ATOM 158 N SER A 12 -12.810 8.672 -3.326 1.00 0.00 N ATOM 159 CA SER A 12 -13.269 7.265 -3.527 1.00 0.00 C ATOM 160 C SER A 12 -12.361 6.281 -2.770 1.00 0.00 C ATOM 161 O SER A 12 -12.376 5.094 -3.037 1.00 0.00 O ATOM 162 CB SER A 12 -13.274 6.933 -5.027 1.00 0.00 C ATOM 163 OG SER A 12 -11.985 6.491 -5.436 1.00 0.00 O ATOM 0 H SER A 12 -13.500 9.288 -2.896 1.00 0.00 H new ATOM 0 HA SER A 12 -14.280 7.168 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.014 6.160 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.564 7.813 -5.601 1.00 0.00 H new ATOM 0 HG SER A 12 -11.376 7.258 -5.485 1.00 0.00 H new ATOM 169 N GLY A 13 -11.578 6.756 -1.825 1.00 0.00 N ATOM 170 CA GLY A 13 -10.686 5.840 -1.056 1.00 0.00 C ATOM 171 C GLY A 13 -9.705 5.152 -2.004 1.00 0.00 C ATOM 172 O GLY A 13 -8.957 5.798 -2.713 1.00 0.00 O ATOM 0 H GLY A 13 -11.522 7.739 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.140 6.402 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.282 5.094 -0.531 1.00 0.00 H new ATOM 176 N ILE A 14 -9.703 3.844 -2.015 1.00 0.00 N ATOM 177 CA ILE A 14 -8.770 3.102 -2.909 1.00 0.00 C ATOM 178 C ILE A 14 -9.522 1.959 -3.597 1.00 0.00 C ATOM 179 O ILE A 14 -10.197 1.174 -2.958 1.00 0.00 O ATOM 180 CB ILE A 14 -7.614 2.542 -2.077 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.972 3.681 -1.278 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.570 1.916 -3.004 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.003 3.103 -0.246 1.00 0.00 C ATOM 0 H ILE A 14 -10.310 3.258 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.374 3.775 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.990 1.781 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.443 4.356 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.743 4.268 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.748 1.518 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.028 1.109 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.189 2.675 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.548 3.915 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.545 2.445 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.224 2.536 -0.756 1.00 0.00 H new ATOM 195 N HIS A 15 -9.411 1.870 -4.897 1.00 0.00 N ATOM 196 CA HIS A 15 -10.120 0.789 -5.649 1.00 0.00 C ATOM 197 C HIS A 15 -9.091 -0.049 -6.429 1.00 0.00 C ATOM 198 O HIS A 15 -7.906 0.020 -6.165 1.00 0.00 O ATOM 199 CB HIS A 15 -11.173 1.403 -6.605 1.00 0.00 C ATOM 200 CG HIS A 15 -10.699 2.715 -7.182 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.474 3.943 -6.607 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -10.417 2.871 -8.529 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -10.061 4.847 -7.580 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -10.044 4.150 -8.720 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.857 2.503 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.643 0.139 -4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.383 0.703 -7.414 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.108 1.558 -6.067 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.592 4.159 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.484 2.106 -9.288 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.808 5.888 -7.444 1.00 0.00 H new ATOM 212 N ALA A 16 -9.533 -0.862 -7.358 1.00 0.00 N ATOM 213 CA ALA A 16 -8.588 -1.729 -8.129 1.00 0.00 C ATOM 214 C ALA A 16 -7.603 -0.890 -8.958 1.00 0.00 C ATOM 215 O ALA A 16 -6.513 -1.340 -9.257 1.00 0.00 O ATOM 216 CB ALA A 16 -9.389 -2.632 -9.068 1.00 0.00 C ATOM 0 H ALA A 16 -10.515 -0.962 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.015 -2.325 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.706 -3.266 -9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.065 -3.256 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.968 -2.018 -9.758 1.00 0.00 H new ATOM 222 N ARG A 17 -7.970 0.308 -9.351 1.00 0.00 N ATOM 223 CA ARG A 17 -7.039 1.141 -10.181 1.00 0.00 C ATOM 224 C ARG A 17 -5.731 1.407 -9.400 1.00 0.00 C ATOM 225 O ARG A 17 -4.673 1.003 -9.848 1.00 0.00 O ATOM 226 CB ARG A 17 -7.715 2.467 -10.558 1.00 0.00 C ATOM 227 CG ARG A 17 -7.998 2.502 -12.063 1.00 0.00 C ATOM 228 CD ARG A 17 -9.271 3.309 -12.323 1.00 0.00 C ATOM 229 NE ARG A 17 -9.048 4.729 -11.930 1.00 0.00 N ATOM 230 CZ ARG A 17 -9.908 5.646 -12.282 1.00 0.00 C ATOM 231 NH1 ARG A 17 -11.139 5.586 -11.852 1.00 0.00 N ATOM 232 NH2 ARG A 17 -9.538 6.623 -13.064 1.00 0.00 N ATOM 0 H ARG A 17 -8.867 0.743 -9.135 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.797 0.600 -11.096 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.646 2.581 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.073 3.303 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.156 2.949 -12.592 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.113 1.488 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.542 3.251 -13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.102 2.890 -11.756 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.224 4.984 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.429 4.823 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.811 6.303 -12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.576 6.671 -13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.210 7.339 -13.339 1.00 0.00 H new ATOM 246 N PRO A 18 -5.817 2.063 -8.254 1.00 0.00 N ATOM 247 CA PRO A 18 -4.618 2.348 -7.440 1.00 0.00 C ATOM 248 C PRO A 18 -4.090 1.064 -6.788 1.00 0.00 C ATOM 249 O PRO A 18 -2.947 0.995 -6.385 1.00 0.00 O ATOM 250 CB PRO A 18 -5.113 3.341 -6.386 1.00 0.00 C ATOM 251 CG PRO A 18 -6.641 3.150 -6.297 1.00 0.00 C ATOM 252 CD PRO A 18 -7.079 2.568 -7.653 1.00 0.00 C ATOM 0 HA PRO A 18 -3.791 2.746 -8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.641 3.153 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.865 4.364 -6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.902 2.476 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.141 4.098 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.809 1.768 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.544 3.327 -8.281 1.00 0.00 H new ATOM 260 N ALA A 19 -4.912 0.046 -6.691 1.00 0.00 N ATOM 261 CA ALA A 19 -4.454 -1.235 -6.078 1.00 0.00 C ATOM 262 C ALA A 19 -3.561 -1.986 -7.074 1.00 0.00 C ATOM 263 O ALA A 19 -2.738 -2.796 -6.689 1.00 0.00 O ATOM 264 CB ALA A 19 -5.671 -2.094 -5.726 1.00 0.00 C ATOM 0 H ALA A 19 -5.880 0.050 -7.011 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.886 -1.025 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.338 -3.030 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.303 -1.557 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.240 -2.307 -6.631 1.00 0.00 H new ATOM 270 N THR A 20 -3.718 -1.724 -8.350 1.00 0.00 N ATOM 271 CA THR A 20 -2.880 -2.418 -9.371 1.00 0.00 C ATOM 272 C THR A 20 -1.539 -1.692 -9.502 1.00 0.00 C ATOM 273 O THR A 20 -0.512 -2.306 -9.722 1.00 0.00 O ATOM 274 CB THR A 20 -3.603 -2.406 -10.721 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.912 -2.931 -10.558 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.829 -3.261 -11.725 1.00 0.00 C ATOM 0 H THR A 20 -4.393 -1.058 -8.726 1.00 0.00 H new ATOM 0 HA THR A 20 -2.708 -3.449 -9.063 1.00 0.00 H new ATOM 0 HB THR A 20 -3.664 -1.383 -11.092 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.538 -2.199 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.345 -3.251 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.824 -2.857 -11.849 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.765 -4.285 -11.358 1.00 0.00 H new ATOM 284 N VAL A 21 -1.543 -0.390 -9.362 1.00 0.00 N ATOM 285 CA VAL A 21 -0.268 0.380 -9.470 1.00 0.00 C ATOM 286 C VAL A 21 0.553 0.170 -8.194 1.00 0.00 C ATOM 287 O VAL A 21 1.770 0.171 -8.220 1.00 0.00 O ATOM 288 CB VAL A 21 -0.582 1.869 -9.641 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.719 2.645 -9.858 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.496 2.066 -10.854 1.00 0.00 C ATOM 0 H VAL A 21 -2.374 0.172 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 21 0.300 0.033 -10.333 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.082 2.236 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.495 3.705 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.372 2.509 -8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.218 2.275 -10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.718 3.126 -10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.997 1.696 -11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.425 1.516 -10.703 1.00 0.00 H new ATOM 300 N LEU A 22 -0.109 -0.011 -7.080 1.00 0.00 N ATOM 301 CA LEU A 22 0.617 -0.223 -5.794 1.00 0.00 C ATOM 302 C LEU A 22 1.164 -1.651 -5.743 1.00 0.00 C ATOM 303 O LEU A 22 2.298 -1.875 -5.366 1.00 0.00 O ATOM 304 CB LEU A 22 -0.344 -0.004 -4.624 1.00 0.00 C ATOM 305 CG LEU A 22 -0.553 1.496 -4.407 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.709 1.714 -3.430 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.724 2.109 -3.827 1.00 0.00 C ATOM 0 H LEU A 22 -1.126 -0.021 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 22 1.443 0.484 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.299 -0.489 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.058 -0.460 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.787 1.972 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.858 2.783 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.619 1.276 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.475 1.239 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.577 3.178 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.956 1.633 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.550 1.954 -4.521 1.00 0.00 H new ATOM 319 N VAL A 23 0.363 -2.618 -6.118 1.00 0.00 N ATOM 320 CA VAL A 23 0.830 -4.037 -6.095 1.00 0.00 C ATOM 321 C VAL A 23 2.011 -4.197 -7.061 1.00 0.00 C ATOM 322 O VAL A 23 2.889 -5.011 -6.850 1.00 0.00 O ATOM 323 CB VAL A 23 -0.326 -4.963 -6.507 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.781 -4.633 -7.929 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.132 -6.423 -6.441 1.00 0.00 C ATOM 0 H VAL A 23 -0.596 -2.484 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 23 1.155 -4.305 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.160 -4.813 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.600 -5.294 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.119 -3.598 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.052 -4.771 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.690 -7.076 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.972 -6.572 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.440 -6.662 -5.423 1.00 0.00 H new ATOM 335 N GLN A 24 2.032 -3.421 -8.115 1.00 0.00 N ATOM 336 CA GLN A 24 3.149 -3.515 -9.100 1.00 0.00 C ATOM 337 C GLN A 24 4.452 -3.071 -8.431 1.00 0.00 C ATOM 338 O GLN A 24 5.479 -3.708 -8.570 1.00 0.00 O ATOM 339 CB GLN A 24 2.855 -2.605 -10.294 1.00 0.00 C ATOM 340 CG GLN A 24 2.029 -3.369 -11.330 1.00 0.00 C ATOM 341 CD GLN A 24 1.900 -2.529 -12.602 1.00 0.00 C ATOM 342 OE1 GLN A 24 2.712 -2.635 -13.499 1.00 0.00 O ATOM 343 NE2 GLN A 24 0.907 -1.690 -12.716 1.00 0.00 N ATOM 0 H GLN A 24 1.320 -2.724 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 24 3.246 -4.545 -9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.313 -1.719 -9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.788 -2.261 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.505 -4.323 -11.558 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.041 -3.594 -10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.225 -1.601 -11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.813 -1.123 -13.559 1.00 0.00 H new ATOM 352 N THR A 25 4.414 -1.980 -7.708 1.00 0.00 N ATOM 353 CA THR A 25 5.646 -1.483 -7.022 1.00 0.00 C ATOM 354 C THR A 25 6.150 -2.538 -6.034 1.00 0.00 C ATOM 355 O THR A 25 7.325 -2.855 -5.997 1.00 0.00 O ATOM 356 CB THR A 25 5.319 -0.193 -6.265 1.00 0.00 C ATOM 357 OG1 THR A 25 4.610 0.692 -7.123 1.00 0.00 O ATOM 358 CG2 THR A 25 6.616 0.473 -5.802 1.00 0.00 C ATOM 0 H THR A 25 3.580 -1.410 -7.563 1.00 0.00 H new ATOM 0 HA THR A 25 6.419 -1.288 -7.765 1.00 0.00 H new ATOM 0 HB THR A 25 4.704 -0.428 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.399 1.517 -6.639 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.381 1.391 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.158 -0.205 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.234 0.709 -6.669 1.00 0.00 H new ATOM 366 N ALA A 26 5.268 -3.081 -5.233 1.00 0.00 N ATOM 367 CA ALA A 26 5.683 -4.117 -4.240 1.00 0.00 C ATOM 368 C ALA A 26 6.131 -5.392 -4.964 1.00 0.00 C ATOM 369 O ALA A 26 6.863 -6.196 -4.416 1.00 0.00 O ATOM 370 CB ALA A 26 4.500 -4.441 -3.325 1.00 0.00 C ATOM 0 H ALA A 26 4.275 -2.850 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 26 6.515 -3.733 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.798 -5.197 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.187 -3.538 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.671 -4.820 -3.923 1.00 0.00 H new ATOM 376 N SER A 27 5.698 -5.587 -6.187 1.00 0.00 N ATOM 377 CA SER A 27 6.098 -6.812 -6.941 1.00 0.00 C ATOM 378 C SER A 27 7.604 -6.781 -7.207 1.00 0.00 C ATOM 379 O SER A 27 8.254 -7.809 -7.257 1.00 0.00 O ATOM 380 CB SER A 27 5.346 -6.857 -8.272 1.00 0.00 C ATOM 381 OG SER A 27 5.315 -8.196 -8.748 1.00 0.00 O ATOM 0 H SER A 27 5.085 -4.949 -6.694 1.00 0.00 H new ATOM 0 HA SER A 27 5.853 -7.697 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.331 -6.481 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.835 -6.211 -9.001 1.00 0.00 H new ATOM 0 HG SER A 27 4.832 -8.229 -9.600 1.00 0.00 H new ATOM 387 N LYS A 28 8.162 -5.610 -7.377 1.00 0.00 N ATOM 388 CA LYS A 28 9.627 -5.501 -7.639 1.00 0.00 C ATOM 389 C LYS A 28 10.414 -5.993 -6.419 1.00 0.00 C ATOM 390 O LYS A 28 11.559 -6.387 -6.533 1.00 0.00 O ATOM 391 CB LYS A 28 9.989 -4.039 -7.916 1.00 0.00 C ATOM 392 CG LYS A 28 9.797 -3.737 -9.404 1.00 0.00 C ATOM 393 CD LYS A 28 8.398 -3.161 -9.631 1.00 0.00 C ATOM 394 CE LYS A 28 8.283 -2.658 -11.071 1.00 0.00 C ATOM 395 NZ LYS A 28 8.259 -3.821 -12.002 1.00 0.00 N ATOM 0 H LYS A 28 7.663 -4.721 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 28 9.881 -6.114 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.362 -3.379 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.022 -3.848 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.553 -3.029 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.927 -4.647 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.643 -3.924 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.211 -2.345 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.376 -2.065 -11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.124 -2.006 -11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.062 -3.489 -12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.182 -4.301 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.516 -4.487 -11.707 1.00 0.00 H new ATOM 409 N TYR A 29 9.814 -5.963 -5.254 1.00 0.00 N ATOM 410 CA TYR A 29 10.533 -6.418 -4.026 1.00 0.00 C ATOM 411 C TYR A 29 9.960 -7.756 -3.558 1.00 0.00 C ATOM 412 O TYR A 29 8.760 -7.946 -3.517 1.00 0.00 O ATOM 413 CB TYR A 29 10.368 -5.369 -2.923 1.00 0.00 C ATOM 414 CG TYR A 29 10.795 -4.023 -3.458 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.905 -3.261 -4.223 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.087 -3.548 -3.207 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.305 -2.021 -4.735 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.487 -2.307 -3.717 1.00 0.00 C ATOM 419 CZ TYR A 29 11.596 -1.544 -4.482 1.00 0.00 C ATOM 420 OH TYR A 29 11.993 -0.324 -4.989 1.00 0.00 O ATOM 0 H TYR A 29 8.858 -5.643 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 29 11.592 -6.544 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.330 -5.331 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.970 -5.637 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.909 -3.630 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.775 -4.138 -2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.618 -1.433 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.483 -1.938 -3.520 1.00 0.00 H new ATOM 0 HH TYR A 29 12.918 -0.143 -4.719 1.00 0.00 H new ATOM 430 N ASP A 30 10.816 -8.682 -3.207 1.00 0.00 N ATOM 431 CA ASP A 30 10.336 -10.015 -2.741 1.00 0.00 C ATOM 432 C ASP A 30 10.059 -9.992 -1.230 1.00 0.00 C ATOM 433 O ASP A 30 9.662 -10.990 -0.658 1.00 0.00 O ATOM 434 CB ASP A 30 11.403 -11.070 -3.044 1.00 0.00 C ATOM 435 CG ASP A 30 11.477 -11.302 -4.554 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.702 -10.340 -5.270 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.309 -12.436 -4.969 1.00 0.00 O ATOM 0 H ASP A 30 11.830 -8.570 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 30 9.410 -10.257 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.372 -10.741 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.163 -12.003 -2.533 1.00 0.00 H new ATOM 442 N ALA A 31 10.257 -8.867 -0.575 1.00 0.00 N ATOM 443 CA ALA A 31 9.996 -8.798 0.894 1.00 0.00 C ATOM 444 C ALA A 31 8.515 -9.077 1.160 1.00 0.00 C ATOM 445 O ALA A 31 7.752 -9.328 0.246 1.00 0.00 O ATOM 446 CB ALA A 31 10.355 -7.403 1.412 1.00 0.00 C ATOM 0 H ALA A 31 10.587 -7.999 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 31 10.605 -9.542 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.164 -7.353 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.410 -7.204 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.747 -6.657 0.900 1.00 0.00 H new ATOM 452 N ASP A 32 8.105 -9.035 2.401 1.00 0.00 N ATOM 453 CA ASP A 32 6.673 -9.299 2.727 1.00 0.00 C ATOM 454 C ASP A 32 5.938 -7.974 2.924 1.00 0.00 C ATOM 455 O ASP A 32 5.938 -7.406 4.001 1.00 0.00 O ATOM 456 CB ASP A 32 6.579 -10.122 4.011 1.00 0.00 C ATOM 457 CG ASP A 32 7.090 -11.539 3.748 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.194 -11.666 3.244 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.370 -12.474 4.057 1.00 0.00 O ATOM 0 H ASP A 32 8.701 -8.829 3.203 1.00 0.00 H new ATOM 0 HA ASP A 32 6.217 -9.852 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.167 -9.653 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.547 -10.155 4.359 1.00 0.00 H new ATOM 464 N VAL A 33 5.307 -7.484 1.891 1.00 0.00 N ATOM 465 CA VAL A 33 4.560 -6.197 2.003 1.00 0.00 C ATOM 466 C VAL A 33 3.098 -6.489 2.347 1.00 0.00 C ATOM 467 O VAL A 33 2.354 -7.008 1.536 1.00 0.00 O ATOM 468 CB VAL A 33 4.630 -5.446 0.671 1.00 0.00 C ATOM 469 CG1 VAL A 33 4.012 -4.057 0.836 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.091 -5.304 0.241 1.00 0.00 C ATOM 0 H VAL A 33 5.276 -7.921 0.970 1.00 0.00 H new ATOM 0 HA VAL A 33 5.005 -5.585 2.787 1.00 0.00 H new ATOM 0 HB VAL A 33 4.080 -6.002 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.062 -3.522 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.971 -4.156 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.563 -3.502 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.141 -4.769 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.641 -4.748 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.533 -6.293 0.123 1.00 0.00 H new ATOM 480 N ASN A 34 2.685 -6.167 3.548 1.00 0.00 N ATOM 481 CA ASN A 34 1.273 -6.430 3.954 1.00 0.00 C ATOM 482 C ASN A 34 0.559 -5.106 4.236 1.00 0.00 C ATOM 483 O ASN A 34 1.148 -4.168 4.737 1.00 0.00 O ATOM 484 CB ASN A 34 1.258 -7.292 5.218 1.00 0.00 C ATOM 485 CG ASN A 34 2.056 -8.575 4.972 1.00 0.00 C ATOM 486 OD1 ASN A 34 3.233 -8.524 4.676 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.460 -9.729 5.084 1.00 0.00 N ATOM 0 H ASN A 34 3.267 -5.733 4.264 1.00 0.00 H new ATOM 0 HA ASN A 34 0.760 -6.952 3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.688 -6.739 6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.232 -7.537 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.982 -10.590 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.472 -9.771 5.333 1.00 0.00 H new ATOM 494 N LEU A 35 -0.710 -5.033 3.922 1.00 0.00 N ATOM 495 CA LEU A 35 -1.479 -3.779 4.173 1.00 0.00 C ATOM 496 C LEU A 35 -2.302 -3.945 5.451 1.00 0.00 C ATOM 497 O LEU A 35 -3.111 -4.847 5.564 1.00 0.00 O ATOM 498 CB LEU A 35 -2.415 -3.509 2.993 1.00 0.00 C ATOM 499 CG LEU A 35 -3.058 -2.131 3.158 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.065 -1.049 2.731 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.311 -2.047 2.282 1.00 0.00 C ATOM 0 H LEU A 35 -1.247 -5.791 3.501 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.791 -2.941 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.859 -3.553 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.186 -4.278 2.943 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.332 -1.980 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.524 -0.067 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.172 -1.109 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.791 -1.198 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.771 -1.066 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.036 -2.198 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.019 -2.818 2.585 1.00 0.00 H new ATOM 513 N GLU A 36 -2.098 -3.083 6.414 1.00 0.00 N ATOM 514 CA GLU A 36 -2.861 -3.186 7.692 1.00 0.00 C ATOM 515 C GLU A 36 -3.871 -2.041 7.780 1.00 0.00 C ATOM 516 O GLU A 36 -3.504 -0.889 7.922 1.00 0.00 O ATOM 517 CB GLU A 36 -1.891 -3.104 8.872 1.00 0.00 C ATOM 518 CG GLU A 36 -2.610 -3.519 10.157 1.00 0.00 C ATOM 519 CD GLU A 36 -3.135 -2.274 10.876 1.00 0.00 C ATOM 520 OE1 GLU A 36 -4.197 -1.803 10.502 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.467 -1.814 11.787 1.00 0.00 O ATOM 0 H GLU A 36 -1.434 -2.310 6.369 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.391 -4.138 7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.034 -3.754 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.507 -2.089 8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.435 -4.191 9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.927 -4.066 10.807 1.00 0.00 H new ATOM 528 N TYR A 37 -5.139 -2.352 7.698 1.00 0.00 N ATOM 529 CA TYR A 37 -6.182 -1.286 7.777 1.00 0.00 C ATOM 530 C TYR A 37 -7.367 -1.779 8.610 1.00 0.00 C ATOM 531 O TYR A 37 -7.792 -2.912 8.495 1.00 0.00 O ATOM 532 CB TYR A 37 -6.666 -0.937 6.369 1.00 0.00 C ATOM 533 CG TYR A 37 -7.490 0.325 6.432 1.00 0.00 C ATOM 534 CD1 TYR A 37 -6.861 1.556 6.646 1.00 0.00 C ATOM 535 CD2 TYR A 37 -8.881 0.264 6.282 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.623 2.728 6.710 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.642 1.437 6.345 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.013 2.669 6.560 1.00 0.00 C ATOM 539 OH TYR A 37 -9.764 3.825 6.623 1.00 0.00 O ATOM 0 H TYR A 37 -5.497 -3.300 7.580 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.752 -0.401 8.247 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.815 -0.798 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.260 -1.755 5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.788 1.602 6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.366 -0.687 6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.138 3.679 6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.715 1.392 6.228 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.711 3.607 6.498 1.00 0.00 H new ATOM 549 N ASN A 38 -7.908 -0.925 9.445 1.00 0.00 N ATOM 550 CA ASN A 38 -9.075 -1.319 10.292 1.00 0.00 C ATOM 551 C ASN A 38 -8.695 -2.503 11.188 1.00 0.00 C ATOM 552 O ASN A 38 -9.493 -3.389 11.427 1.00 0.00 O ATOM 553 CB ASN A 38 -10.253 -1.711 9.392 1.00 0.00 C ATOM 554 CG ASN A 38 -11.557 -1.177 9.989 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.392 -1.939 10.434 1.00 0.00 O ATOM 556 ND2 ASN A 38 -11.767 0.111 10.017 1.00 0.00 N ATOM 0 H ASN A 38 -7.588 0.035 9.576 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.362 -0.475 10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.108 -1.307 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.304 -2.795 9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.632 0.478 10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.066 0.750 9.643 1.00 0.00 H new ATOM 563 N GLY A 39 -7.484 -2.518 11.687 1.00 0.00 N ATOM 564 CA GLY A 39 -7.043 -3.638 12.573 1.00 0.00 C ATOM 565 C GLY A 39 -7.129 -4.964 11.820 1.00 0.00 C ATOM 566 O GLY A 39 -7.359 -6.006 12.404 1.00 0.00 O ATOM 0 H GLY A 39 -6.780 -1.800 11.518 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.020 -3.466 12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.669 -3.675 13.465 1.00 0.00 H new ATOM 570 N LYS A 40 -6.937 -4.928 10.529 1.00 0.00 N ATOM 571 CA LYS A 40 -6.992 -6.180 9.726 1.00 0.00 C ATOM 572 C LYS A 40 -5.709 -6.306 8.913 1.00 0.00 C ATOM 573 O LYS A 40 -5.162 -5.327 8.441 1.00 0.00 O ATOM 574 CB LYS A 40 -8.191 -6.139 8.780 1.00 0.00 C ATOM 575 CG LYS A 40 -9.483 -6.015 9.592 1.00 0.00 C ATOM 576 CD LYS A 40 -10.598 -6.807 8.904 1.00 0.00 C ATOM 577 CE LYS A 40 -11.037 -6.075 7.636 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.151 -6.824 6.990 1.00 0.00 N ATOM 0 H LYS A 40 -6.744 -4.081 9.995 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.094 -7.035 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.098 -5.296 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.218 -7.043 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.327 -6.391 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.769 -4.967 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.247 -7.808 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.445 -6.925 9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.359 -5.063 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.198 -5.984 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.450 -6.326 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.828 -7.781 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.954 -6.888 7.648 1.00 0.00 H new ATOM 592 N THR A 41 -5.224 -7.504 8.750 1.00 0.00 N ATOM 593 CA THR A 41 -3.970 -7.710 7.971 1.00 0.00 C ATOM 594 C THR A 41 -4.291 -8.431 6.659 1.00 0.00 C ATOM 595 O THR A 41 -5.061 -9.373 6.631 1.00 0.00 O ATOM 596 CB THR A 41 -2.991 -8.554 8.792 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.065 -8.166 10.157 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.568 -8.338 8.274 1.00 0.00 C ATOM 0 H THR A 41 -5.644 -8.355 9.125 1.00 0.00 H new ATOM 0 HA THR A 41 -3.519 -6.742 7.750 1.00 0.00 H new ATOM 0 HB THR A 41 -3.252 -9.608 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.440 -8.706 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.872 -8.939 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.513 -8.636 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.303 -7.285 8.366 1.00 0.00 H new ATOM 606 N VAL A 42 -3.701 -7.994 5.575 1.00 0.00 N ATOM 607 CA VAL A 42 -3.960 -8.647 4.258 1.00 0.00 C ATOM 608 C VAL A 42 -2.667 -8.663 3.437 1.00 0.00 C ATOM 609 O VAL A 42 -1.657 -8.122 3.847 1.00 0.00 O ATOM 610 CB VAL A 42 -5.036 -7.865 3.498 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.374 -7.999 4.226 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.643 -6.387 3.427 1.00 0.00 C ATOM 0 H VAL A 42 -3.049 -7.210 5.547 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.304 -9.668 4.421 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.128 -8.266 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.140 -7.443 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.657 -9.050 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.280 -7.600 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.410 -5.832 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.550 -5.986 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.690 -6.289 2.908 1.00 0.00 H new ATOM 622 N ASN A 43 -2.693 -9.283 2.284 1.00 0.00 N ATOM 623 CA ASN A 43 -1.468 -9.341 1.431 1.00 0.00 C ATOM 624 C ASN A 43 -1.523 -8.223 0.386 1.00 0.00 C ATOM 625 O ASN A 43 -2.538 -8.005 -0.248 1.00 0.00 O ATOM 626 CB ASN A 43 -1.403 -10.697 0.724 1.00 0.00 C ATOM 627 CG ASN A 43 0.056 -11.052 0.433 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.952 -10.608 1.123 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.336 -11.841 -0.569 1.00 0.00 N ATOM 0 H ASN A 43 -3.512 -9.752 1.896 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.583 -9.214 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.858 -11.466 1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.972 -10.662 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.306 -12.084 -0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.415 -12.215 -1.149 1.00 0.00 H new ATOM 636 N LEU A 44 -0.436 -7.513 0.206 1.00 0.00 N ATOM 637 CA LEU A 44 -0.416 -6.407 -0.796 1.00 0.00 C ATOM 638 C LEU A 44 -0.385 -6.973 -2.224 1.00 0.00 C ATOM 639 O LEU A 44 -0.509 -6.237 -3.185 1.00 0.00 O ATOM 640 CB LEU A 44 0.823 -5.537 -0.573 1.00 0.00 C ATOM 641 CG LEU A 44 0.635 -4.194 -1.280 1.00 0.00 C ATOM 642 CD1 LEU A 44 -0.467 -3.398 -0.580 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.944 -3.403 -1.230 1.00 0.00 C ATOM 0 H LEU A 44 0.439 -7.654 0.712 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.319 -5.809 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.983 -5.380 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.709 -6.042 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 44 0.354 -4.368 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.601 -2.441 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.400 -3.960 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.187 -3.225 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.810 -2.446 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.225 -3.230 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.730 -3.969 -1.729 1.00 0.00 H new ATOM 655 N LYS A 45 -0.223 -8.269 -2.377 1.00 0.00 N ATOM 656 CA LYS A 45 -0.187 -8.864 -3.746 1.00 0.00 C ATOM 657 C LYS A 45 -1.582 -9.373 -4.129 1.00 0.00 C ATOM 658 O LYS A 45 -1.719 -10.265 -4.946 1.00 0.00 O ATOM 659 CB LYS A 45 0.805 -10.032 -3.764 1.00 0.00 C ATOM 660 CG LYS A 45 2.229 -9.499 -3.973 1.00 0.00 C ATOM 661 CD LYS A 45 3.189 -10.187 -2.996 1.00 0.00 C ATOM 662 CE LYS A 45 4.317 -9.224 -2.615 1.00 0.00 C ATOM 663 NZ LYS A 45 5.529 -9.534 -3.425 1.00 0.00 N ATOM 0 H LYS A 45 -0.115 -8.935 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 45 0.126 -8.104 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.747 -10.585 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.547 -10.729 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.548 -9.680 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.250 -8.420 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.650 -10.502 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.604 -11.086 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.004 -8.194 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.544 -9.314 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.296 -8.880 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.830 -10.512 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.308 -9.426 -4.436 1.00 0.00 H new ATOM 677 N SER A 46 -2.617 -8.815 -3.547 1.00 0.00 N ATOM 678 CA SER A 46 -4.000 -9.264 -3.876 1.00 0.00 C ATOM 679 C SER A 46 -4.845 -8.055 -4.280 1.00 0.00 C ATOM 680 O SER A 46 -4.899 -7.063 -3.579 1.00 0.00 O ATOM 681 CB SER A 46 -4.621 -9.922 -2.647 1.00 0.00 C ATOM 682 OG SER A 46 -5.592 -10.873 -3.063 1.00 0.00 O ATOM 0 H SER A 46 -2.559 -8.066 -2.857 1.00 0.00 H new ATOM 0 HA SER A 46 -3.966 -9.978 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.849 -10.410 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.084 -9.167 -2.011 1.00 0.00 H new ATOM 0 HG SER A 46 -5.991 -11.299 -2.276 1.00 0.00 H new ATOM 688 N ILE A 47 -5.509 -8.137 -5.404 1.00 0.00 N ATOM 689 CA ILE A 47 -6.364 -7.002 -5.861 1.00 0.00 C ATOM 690 C ILE A 47 -7.781 -7.207 -5.326 1.00 0.00 C ATOM 691 O ILE A 47 -8.446 -6.269 -4.926 1.00 0.00 O ATOM 692 CB ILE A 47 -6.390 -6.962 -7.391 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.952 -6.893 -7.929 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.170 -5.729 -7.856 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.498 -8.285 -8.374 1.00 0.00 C ATOM 0 H ILE A 47 -5.495 -8.945 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.961 -6.060 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.874 -7.862 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.901 -6.198 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.283 -6.512 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.189 -5.700 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.191 -5.780 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.687 -4.828 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.478 -8.231 -8.755 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.533 -8.968 -7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.160 -8.650 -9.160 1.00 0.00 H new ATOM 707 N MET A 48 -8.240 -8.431 -5.310 1.00 0.00 N ATOM 708 CA MET A 48 -9.609 -8.719 -4.796 1.00 0.00 C ATOM 709 C MET A 48 -9.584 -8.707 -3.266 1.00 0.00 C ATOM 710 O MET A 48 -10.566 -8.389 -2.622 1.00 0.00 O ATOM 711 CB MET A 48 -10.059 -10.098 -5.290 1.00 0.00 C ATOM 712 CG MET A 48 -11.509 -10.346 -4.869 1.00 0.00 C ATOM 713 SD MET A 48 -12.610 -9.302 -5.856 1.00 0.00 S ATOM 714 CE MET A 48 -14.118 -9.596 -4.900 1.00 0.00 C ATOM 0 H MET A 48 -7.721 -9.247 -5.633 1.00 0.00 H new ATOM 0 HA MET A 48 -10.304 -7.961 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.970 -10.154 -6.375 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.412 -10.872 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.765 -11.396 -5.008 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.634 -10.125 -3.809 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.943 -9.037 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.354 -10.660 -4.911 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.966 -9.268 -3.871 1.00 0.00 H new ATOM 724 N GLY A 49 -8.465 -9.055 -2.681 1.00 0.00 N ATOM 725 CA GLY A 49 -8.359 -9.070 -1.194 1.00 0.00 C ATOM 726 C GLY A 49 -8.593 -7.661 -0.640 1.00 0.00 C ATOM 727 O GLY A 49 -9.032 -7.495 0.483 1.00 0.00 O ATOM 0 H GLY A 49 -7.616 -9.331 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.091 -9.761 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.374 -9.429 -0.895 1.00 0.00 H new ATOM 731 N VAL A 50 -8.302 -6.647 -1.416 1.00 0.00 N ATOM 732 CA VAL A 50 -8.503 -5.246 -0.936 1.00 0.00 C ATOM 733 C VAL A 50 -9.990 -4.881 -1.007 1.00 0.00 C ATOM 734 O VAL A 50 -10.464 -4.048 -0.259 1.00 0.00 O ATOM 735 CB VAL A 50 -7.700 -4.284 -1.815 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.776 -2.872 -1.231 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.239 -4.736 -1.859 1.00 0.00 C ATOM 0 H VAL A 50 -7.933 -6.730 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.162 -5.168 0.096 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.114 -4.283 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.204 -2.188 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.816 -2.548 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.362 -2.873 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.665 -4.052 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.828 -4.736 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.182 -5.742 -2.274 1.00 0.00 H new ATOM 747 N VAL A 51 -10.724 -5.496 -1.901 1.00 0.00 N ATOM 748 CA VAL A 51 -12.182 -5.184 -2.025 1.00 0.00 C ATOM 749 C VAL A 51 -12.895 -5.511 -0.710 1.00 0.00 C ATOM 750 O VAL A 51 -13.892 -4.901 -0.369 1.00 0.00 O ATOM 751 CB VAL A 51 -12.787 -6.022 -3.156 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.239 -5.598 -3.386 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.986 -5.801 -4.441 1.00 0.00 C ATOM 0 H VAL A 51 -10.376 -6.201 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.307 -4.124 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.754 -7.076 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.669 -6.194 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.813 -5.754 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.271 -4.543 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.417 -6.397 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.019 -4.746 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.951 -6.102 -4.281 1.00 0.00 H new ATOM 763 N SER A 52 -12.393 -6.469 0.028 1.00 0.00 N ATOM 764 CA SER A 52 -13.037 -6.841 1.322 1.00 0.00 C ATOM 765 C SER A 52 -12.867 -5.697 2.325 1.00 0.00 C ATOM 766 O SER A 52 -13.731 -5.450 3.147 1.00 0.00 O ATOM 767 CB SER A 52 -12.379 -8.105 1.877 1.00 0.00 C ATOM 768 OG SER A 52 -10.977 -7.897 1.983 1.00 0.00 O ATOM 0 H SER A 52 -11.562 -7.010 -0.212 1.00 0.00 H new ATOM 0 HA SER A 52 -14.098 -7.026 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.797 -8.348 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.584 -8.953 1.223 1.00 0.00 H new ATOM 0 HG SER A 52 -10.544 -8.154 1.143 1.00 0.00 H new ATOM 774 N LEU A 53 -11.761 -5.000 2.263 1.00 0.00 N ATOM 775 CA LEU A 53 -11.526 -3.870 3.209 1.00 0.00 C ATOM 776 C LEU A 53 -12.443 -2.700 2.848 1.00 0.00 C ATOM 777 O LEU A 53 -13.214 -2.231 3.664 1.00 0.00 O ATOM 778 CB LEU A 53 -10.067 -3.421 3.115 1.00 0.00 C ATOM 779 CG LEU A 53 -9.199 -4.309 4.006 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.728 -4.130 3.630 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.402 -3.914 5.471 1.00 0.00 C ATOM 0 H LEU A 53 -11.008 -5.166 1.595 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.741 -4.199 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.724 -3.479 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.976 -2.379 3.423 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.484 -5.352 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.110 -4.764 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.582 -4.411 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.441 -3.088 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.783 -4.547 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.117 -2.871 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.450 -4.043 5.741 1.00 0.00 H new ATOM 793 N GLY A 54 -12.360 -2.225 1.631 1.00 0.00 N ATOM 794 CA GLY A 54 -13.221 -1.081 1.208 1.00 0.00 C ATOM 795 C GLY A 54 -12.741 0.200 1.892 1.00 0.00 C ATOM 796 O GLY A 54 -13.473 0.830 2.632 1.00 0.00 O ATOM 0 H GLY A 54 -11.731 -2.582 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.182 -0.964 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.260 -1.278 1.470 1.00 0.00 H new ATOM 800 N ILE A 55 -11.515 0.587 1.647 1.00 0.00 N ATOM 801 CA ILE A 55 -10.974 1.823 2.274 1.00 0.00 C ATOM 802 C ILE A 55 -11.593 3.046 1.602 1.00 0.00 C ATOM 803 O ILE A 55 -11.809 3.070 0.405 1.00 0.00 O ATOM 804 CB ILE A 55 -9.455 1.865 2.102 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.846 0.567 2.637 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.884 3.052 2.880 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.401 0.443 2.152 1.00 0.00 C ATOM 0 H ILE A 55 -10.864 0.094 1.035 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.218 1.825 3.336 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.213 1.974 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.877 0.561 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.430 -0.288 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.801 3.081 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.317 3.978 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.126 2.944 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.967 -0.482 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.383 0.430 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.821 1.292 2.514 1.00 0.00 H new ATOM 819 N ALA A 56 -11.872 4.061 2.371 1.00 0.00 N ATOM 820 CA ALA A 56 -12.476 5.301 1.802 1.00 0.00 C ATOM 821 C ALA A 56 -11.446 6.433 1.849 1.00 0.00 C ATOM 822 O ALA A 56 -10.346 6.258 2.339 1.00 0.00 O ATOM 823 CB ALA A 56 -13.706 5.695 2.622 1.00 0.00 C ATOM 0 H ALA A 56 -11.707 4.086 3.377 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.774 5.120 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.146 6.601 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.438 4.888 2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.411 5.877 3.655 1.00 0.00 H new ATOM 829 N LYS A 57 -11.795 7.589 1.343 1.00 0.00 N ATOM 830 CA LYS A 57 -10.839 8.735 1.355 1.00 0.00 C ATOM 831 C LYS A 57 -10.635 9.218 2.792 1.00 0.00 C ATOM 832 O LYS A 57 -11.472 9.007 3.651 1.00 0.00 O ATOM 833 CB LYS A 57 -11.403 9.880 0.509 1.00 0.00 C ATOM 834 CG LYS A 57 -10.316 10.935 0.286 1.00 0.00 C ATOM 835 CD LYS A 57 -10.430 12.025 1.356 1.00 0.00 C ATOM 836 CE LYS A 57 -11.217 13.212 0.799 1.00 0.00 C ATOM 837 NZ LYS A 57 -12.676 12.916 0.867 1.00 0.00 N ATOM 0 H LYS A 57 -12.702 7.788 0.922 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.883 8.412 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.756 9.498 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.261 10.327 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.331 10.471 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.419 11.374 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.928 11.629 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.437 12.348 1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.991 14.112 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.922 13.406 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.216 13.789 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.922 12.213 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.910 12.539 1.807 1.00 0.00 H new ATOM 851 N GLY A 58 -9.529 9.866 3.057 1.00 0.00 N ATOM 852 CA GLY A 58 -9.260 10.369 4.436 1.00 0.00 C ATOM 853 C GLY A 58 -9.081 9.186 5.388 1.00 0.00 C ATOM 854 O GLY A 58 -9.702 9.121 6.433 1.00 0.00 O ATOM 0 H GLY A 58 -8.799 10.068 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.364 10.990 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.085 10.998 4.772 1.00 0.00 H new ATOM 858 N ALA A 59 -8.236 8.251 5.035 1.00 0.00 N ATOM 859 CA ALA A 59 -8.010 7.066 5.913 1.00 0.00 C ATOM 860 C ALA A 59 -6.515 6.934 6.217 1.00 0.00 C ATOM 861 O ALA A 59 -5.693 7.617 5.636 1.00 0.00 O ATOM 862 CB ALA A 59 -8.500 5.805 5.201 1.00 0.00 C ATOM 0 H ALA A 59 -7.691 8.259 4.173 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.560 7.193 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.335 4.938 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.564 5.900 4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.950 5.677 4.269 1.00 0.00 H new ATOM 868 N GLU A 60 -6.162 6.059 7.125 1.00 0.00 N ATOM 869 CA GLU A 60 -4.722 5.874 7.475 1.00 0.00 C ATOM 870 C GLU A 60 -4.348 4.398 7.332 1.00 0.00 C ATOM 871 O GLU A 60 -4.893 3.543 8.006 1.00 0.00 O ATOM 872 CB GLU A 60 -4.487 6.323 8.920 1.00 0.00 C ATOM 873 CG GLU A 60 -4.985 7.758 9.099 1.00 0.00 C ATOM 874 CD GLU A 60 -6.445 7.738 9.558 1.00 0.00 C ATOM 875 OE1 GLU A 60 -6.678 7.410 10.709 1.00 0.00 O ATOM 876 OE2 GLU A 60 -7.303 8.052 8.751 1.00 0.00 O ATOM 0 H GLU A 60 -6.811 5.464 7.640 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.105 6.471 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.009 5.658 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.426 6.263 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.369 8.279 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.895 8.305 8.161 1.00 0.00 H new ATOM 883 N ILE A 61 -3.421 4.094 6.460 1.00 0.00 N ATOM 884 CA ILE A 61 -3.003 2.674 6.266 1.00 0.00 C ATOM 885 C ILE A 61 -1.609 2.465 6.862 1.00 0.00 C ATOM 886 O ILE A 61 -0.862 3.407 7.058 1.00 0.00 O ATOM 887 CB ILE A 61 -2.975 2.348 4.771 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.081 3.356 4.043 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.394 2.426 4.205 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.721 2.817 2.655 1.00 0.00 C ATOM 0 H ILE A 61 -2.934 4.771 5.872 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.713 2.016 6.767 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.580 1.342 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.595 4.313 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.174 3.536 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.374 2.194 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.032 1.708 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.789 3.432 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.085 3.536 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.189 1.871 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.632 2.660 2.078 1.00 0.00 H new ATOM 902 N THR A 62 -1.257 1.238 7.151 1.00 0.00 N ATOM 903 CA THR A 62 0.087 0.957 7.735 1.00 0.00 C ATOM 904 C THR A 62 0.782 -0.134 6.917 1.00 0.00 C ATOM 905 O THR A 62 0.410 -1.291 6.967 1.00 0.00 O ATOM 906 CB THR A 62 -0.074 0.484 9.182 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.228 1.090 9.749 1.00 0.00 O ATOM 908 CG2 THR A 62 1.161 0.879 9.991 1.00 0.00 C ATOM 0 H THR A 62 -1.845 0.417 7.007 1.00 0.00 H new ATOM 0 HA THR A 62 0.689 1.866 7.714 1.00 0.00 H new ATOM 0 HB THR A 62 -0.185 -0.600 9.201 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.335 0.788 10.675 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.045 0.541 11.021 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.045 0.415 9.555 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.275 1.963 9.975 1.00 0.00 H new ATOM 916 N ILE A 63 1.788 0.231 6.163 1.00 0.00 N ATOM 917 CA ILE A 63 2.516 -0.776 5.334 1.00 0.00 C ATOM 918 C ILE A 63 3.720 -1.307 6.119 1.00 0.00 C ATOM 919 O ILE A 63 4.499 -0.548 6.662 1.00 0.00 O ATOM 920 CB ILE A 63 2.991 -0.110 4.038 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.781 0.441 3.280 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.716 -1.136 3.159 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.249 1.448 2.229 1.00 0.00 C ATOM 0 H ILE A 63 2.137 1.186 6.086 1.00 0.00 H new ATOM 0 HA ILE A 63 1.853 -1.607 5.092 1.00 0.00 H new ATOM 0 HB ILE A 63 3.676 0.702 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.237 -0.373 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.091 0.920 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.051 -0.656 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.578 -1.531 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.035 -1.952 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.386 1.839 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.773 2.268 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.922 0.955 1.527 1.00 0.00 H new ATOM 935 N SER A 64 3.873 -2.606 6.177 1.00 0.00 N ATOM 936 CA SER A 64 5.024 -3.197 6.921 1.00 0.00 C ATOM 937 C SER A 64 5.761 -4.190 6.020 1.00 0.00 C ATOM 938 O SER A 64 5.208 -5.191 5.605 1.00 0.00 O ATOM 939 CB SER A 64 4.508 -3.924 8.164 1.00 0.00 C ATOM 940 OG SER A 64 3.820 -5.102 7.766 1.00 0.00 O ATOM 0 H SER A 64 3.248 -3.283 5.740 1.00 0.00 H new ATOM 0 HA SER A 64 5.708 -2.403 7.221 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.339 -4.179 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.841 -3.273 8.730 1.00 0.00 H new ATOM 0 HG SER A 64 3.966 -5.259 6.810 1.00 0.00 H new ATOM 946 N ALA A 65 7.005 -3.917 5.715 1.00 0.00 N ATOM 947 CA ALA A 65 7.786 -4.839 4.838 1.00 0.00 C ATOM 948 C ALA A 65 8.789 -5.624 5.686 1.00 0.00 C ATOM 949 O ALA A 65 9.512 -5.062 6.488 1.00 0.00 O ATOM 950 CB ALA A 65 8.539 -4.026 3.784 1.00 0.00 C ATOM 0 H ALA A 65 7.513 -3.093 6.037 1.00 0.00 H new ATOM 0 HA ALA A 65 7.105 -5.532 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.109 -4.699 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.826 -3.466 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.219 -3.332 4.277 1.00 0.00 H new ATOM 956 N SER A 66 8.837 -6.921 5.512 1.00 0.00 N ATOM 957 CA SER A 66 9.791 -7.755 6.301 1.00 0.00 C ATOM 958 C SER A 66 10.355 -8.863 5.411 1.00 0.00 C ATOM 959 O SER A 66 9.664 -9.803 5.065 1.00 0.00 O ATOM 960 CB SER A 66 9.059 -8.380 7.489 1.00 0.00 C ATOM 961 OG SER A 66 8.848 -7.390 8.487 1.00 0.00 O ATOM 0 H SER A 66 8.254 -7.439 4.855 1.00 0.00 H new ATOM 0 HA SER A 66 10.606 -7.129 6.664 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.105 -8.795 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.643 -9.205 7.897 1.00 0.00 H new ATOM 0 HG SER A 66 8.377 -7.788 9.249 1.00 0.00 H new ATOM 967 N GLY A 67 11.606 -8.758 5.039 1.00 0.00 N ATOM 968 CA GLY A 67 12.224 -9.803 4.170 1.00 0.00 C ATOM 969 C GLY A 67 13.684 -9.440 3.892 1.00 0.00 C ATOM 970 O GLY A 67 14.480 -9.301 4.802 1.00 0.00 O ATOM 0 H GLY A 67 12.226 -7.992 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.167 -10.776 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.674 -9.883 3.233 1.00 0.00 H new ATOM 974 N ALA A 68 14.038 -9.286 2.642 1.00 0.00 N ATOM 975 CA ALA A 68 15.445 -8.932 2.294 1.00 0.00 C ATOM 976 C ALA A 68 15.530 -7.437 1.978 1.00 0.00 C ATOM 977 O ALA A 68 16.202 -6.688 2.663 1.00 0.00 O ATOM 978 CB ALA A 68 15.886 -9.739 1.071 1.00 0.00 C ATOM 0 H ALA A 68 13.410 -9.391 1.845 1.00 0.00 H new ATOM 0 HA ALA A 68 16.098 -9.163 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.914 -9.481 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.824 -10.804 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.234 -9.508 0.228 1.00 0.00 H new ATOM 984 N ASP A 69 14.850 -7.000 0.949 1.00 0.00 N ATOM 985 CA ASP A 69 14.881 -5.551 0.585 1.00 0.00 C ATOM 986 C ASP A 69 13.650 -4.855 1.173 1.00 0.00 C ATOM 987 O ASP A 69 12.992 -4.071 0.515 1.00 0.00 O ATOM 988 CB ASP A 69 14.882 -5.400 -0.943 1.00 0.00 C ATOM 989 CG ASP A 69 13.747 -6.228 -1.555 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.734 -6.392 -0.895 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.911 -6.682 -2.675 1.00 0.00 O ATOM 0 H ASP A 69 14.274 -7.585 0.344 1.00 0.00 H new ATOM 0 HA ASP A 69 15.785 -5.094 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.763 -4.351 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.840 -5.727 -1.348 1.00 0.00 H new ATOM 996 N GLU A 70 13.337 -5.142 2.411 1.00 0.00 N ATOM 997 CA GLU A 70 12.149 -4.510 3.059 1.00 0.00 C ATOM 998 C GLU A 70 12.341 -2.992 3.123 1.00 0.00 C ATOM 999 O GLU A 70 11.390 -2.236 3.054 1.00 0.00 O ATOM 1000 CB GLU A 70 11.982 -5.068 4.477 1.00 0.00 C ATOM 1001 CG GLU A 70 13.263 -4.834 5.283 1.00 0.00 C ATOM 1002 CD GLU A 70 13.040 -5.273 6.732 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.556 -4.465 7.507 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.359 -6.409 7.041 1.00 0.00 O ATOM 0 H GLU A 70 13.856 -5.790 3.003 1.00 0.00 H new ATOM 0 HA GLU A 70 11.257 -4.734 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.138 -4.585 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.759 -6.134 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.089 -5.394 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.539 -3.780 5.249 1.00 0.00 H new ATOM 1011 N ASN A 71 13.563 -2.544 3.256 1.00 0.00 N ATOM 1012 CA ASN A 71 13.827 -1.075 3.327 1.00 0.00 C ATOM 1013 C ASN A 71 13.606 -0.442 1.952 1.00 0.00 C ATOM 1014 O ASN A 71 13.047 0.630 1.838 1.00 0.00 O ATOM 1015 CB ASN A 71 15.271 -0.835 3.770 1.00 0.00 C ATOM 1016 CG ASN A 71 15.329 -0.725 5.294 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.122 -1.697 5.995 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.603 0.428 5.842 1.00 0.00 N ATOM 0 H ASN A 71 14.392 -3.134 3.319 1.00 0.00 H new ATOM 0 HA ASN A 71 13.144 -0.623 4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.907 -1.652 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.655 0.078 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.643 0.513 6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.777 1.243 5.254 1.00 0.00 H new ATOM 1025 N ASP A 72 14.048 -1.098 0.910 1.00 0.00 N ATOM 1026 CA ASP A 72 13.875 -0.538 -0.465 1.00 0.00 C ATOM 1027 C ASP A 72 12.406 -0.631 -0.899 1.00 0.00 C ATOM 1028 O ASP A 72 11.981 0.059 -1.807 1.00 0.00 O ATOM 1029 CB ASP A 72 14.744 -1.328 -1.447 1.00 0.00 C ATOM 1030 CG ASP A 72 16.185 -1.374 -0.936 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.712 -0.322 -0.614 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.739 -2.460 -0.876 1.00 0.00 O ATOM 0 H ASP A 72 14.523 -2.000 0.952 1.00 0.00 H new ATOM 0 HA ASP A 72 14.177 0.509 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.355 -2.340 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.712 -0.863 -2.432 1.00 0.00 H new ATOM 1037 N ALA A 73 11.633 -1.486 -0.274 1.00 0.00 N ATOM 1038 CA ALA A 73 10.200 -1.631 -0.665 1.00 0.00 C ATOM 1039 C ALA A 73 9.354 -0.517 -0.038 1.00 0.00 C ATOM 1040 O ALA A 73 8.490 0.047 -0.685 1.00 0.00 O ATOM 1041 CB ALA A 73 9.682 -2.988 -0.187 1.00 0.00 C ATOM 0 H ALA A 73 11.935 -2.089 0.491 1.00 0.00 H new ATOM 0 HA ALA A 73 10.123 -1.561 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.635 -3.098 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.268 -3.784 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.773 -3.051 0.897 1.00 0.00 H new ATOM 1047 N LEU A 74 9.576 -0.209 1.217 1.00 0.00 N ATOM 1048 CA LEU A 74 8.760 0.854 1.882 1.00 0.00 C ATOM 1049 C LEU A 74 9.106 2.238 1.319 1.00 0.00 C ATOM 1050 O LEU A 74 8.225 3.046 1.085 1.00 0.00 O ATOM 1051 CB LEU A 74 8.999 0.832 3.398 1.00 0.00 C ATOM 1052 CG LEU A 74 10.482 1.052 3.707 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.748 2.546 3.933 1.00 0.00 C ATOM 1054 CD2 LEU A 74 10.853 0.272 4.971 1.00 0.00 C ATOM 0 H LEU A 74 10.284 -0.646 1.807 1.00 0.00 H new ATOM 0 HA LEU A 74 7.708 0.652 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.402 1.607 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.673 -0.123 3.810 1.00 0.00 H new ATOM 0 HG LEU A 74 11.084 0.703 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.805 2.698 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.480 3.103 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.148 2.899 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.908 0.425 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.249 0.625 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.666 -0.790 4.811 1.00 0.00 H new ATOM 1066 N ASN A 75 10.367 2.526 1.103 1.00 0.00 N ATOM 1067 CA ASN A 75 10.738 3.873 0.558 1.00 0.00 C ATOM 1068 C ASN A 75 10.384 3.947 -0.929 1.00 0.00 C ATOM 1069 O ASN A 75 10.117 5.010 -1.456 1.00 0.00 O ATOM 1070 CB ASN A 75 12.236 4.149 0.746 1.00 0.00 C ATOM 1071 CG ASN A 75 13.076 2.933 0.349 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.685 2.155 -0.497 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.229 2.743 0.932 1.00 0.00 N ATOM 0 H ASN A 75 11.149 1.895 1.278 1.00 0.00 H new ATOM 0 HA ASN A 75 10.177 4.629 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.529 5.009 0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.433 4.407 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.803 1.940 0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.555 3.398 1.642 1.00 0.00 H new ATOM 1080 N ALA A 76 10.368 2.827 -1.605 1.00 0.00 N ATOM 1081 CA ALA A 76 10.020 2.829 -3.057 1.00 0.00 C ATOM 1082 C ALA A 76 8.512 3.047 -3.215 1.00 0.00 C ATOM 1083 O ALA A 76 8.055 3.587 -4.206 1.00 0.00 O ATOM 1084 CB ALA A 76 10.410 1.486 -3.676 1.00 0.00 C ATOM 0 H ALA A 76 10.581 1.910 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 76 10.560 3.630 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.156 1.487 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.482 1.329 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.870 0.683 -3.174 1.00 0.00 H new ATOM 1090 N LEU A 77 7.740 2.639 -2.239 1.00 0.00 N ATOM 1091 CA LEU A 77 6.263 2.827 -2.316 1.00 0.00 C ATOM 1092 C LEU A 77 5.909 4.251 -1.881 1.00 0.00 C ATOM 1093 O LEU A 77 4.881 4.784 -2.254 1.00 0.00 O ATOM 1094 CB LEU A 77 5.575 1.822 -1.390 1.00 0.00 C ATOM 1095 CG LEU A 77 5.643 0.426 -2.013 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.703 -0.626 -0.904 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.400 0.191 -2.872 1.00 0.00 C ATOM 0 H LEU A 77 8.073 2.182 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 77 5.926 2.667 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.059 1.820 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.536 2.110 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 77 6.535 0.349 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.751 -1.620 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.589 -0.459 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.812 -0.550 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.447 -0.803 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.508 0.268 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.357 0.940 -3.663 1.00 0.00 H new ATOM 1109 N GLU A 78 6.755 4.870 -1.095 1.00 0.00 N ATOM 1110 CA GLU A 78 6.485 6.257 -0.631 1.00 0.00 C ATOM 1111 C GLU A 78 6.729 7.236 -1.787 1.00 0.00 C ATOM 1112 O GLU A 78 5.947 8.139 -2.021 1.00 0.00 O ATOM 1113 CB GLU A 78 7.427 6.573 0.537 1.00 0.00 C ATOM 1114 CG GLU A 78 7.195 8.004 1.035 1.00 0.00 C ATOM 1115 CD GLU A 78 8.196 8.947 0.365 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.361 8.897 0.723 1.00 0.00 O ATOM 1117 OE2 GLU A 78 7.780 9.704 -0.497 1.00 0.00 O ATOM 0 H GLU A 78 7.628 4.466 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 78 5.450 6.353 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.260 5.866 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.463 6.454 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.176 8.318 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.309 8.046 2.118 1.00 0.00 H new ATOM 1124 N GLU A 79 7.810 7.064 -2.506 1.00 0.00 N ATOM 1125 CA GLU A 79 8.115 7.983 -3.644 1.00 0.00 C ATOM 1126 C GLU A 79 7.060 7.819 -4.745 1.00 0.00 C ATOM 1127 O GLU A 79 6.662 8.777 -5.380 1.00 0.00 O ATOM 1128 CB GLU A 79 9.508 7.665 -4.207 1.00 0.00 C ATOM 1129 CG GLU A 79 9.561 6.216 -4.706 1.00 0.00 C ATOM 1130 CD GLU A 79 11.020 5.784 -4.868 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.798 6.049 -3.966 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.334 5.196 -5.889 1.00 0.00 O ATOM 0 H GLU A 79 8.496 6.325 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 79 8.098 9.012 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.742 8.347 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.263 7.820 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.052 5.559 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.037 6.129 -5.658 1.00 0.00 H new ATOM 1139 N THR A 80 6.609 6.612 -4.975 1.00 0.00 N ATOM 1140 CA THR A 80 5.582 6.376 -6.036 1.00 0.00 C ATOM 1141 C THR A 80 4.201 6.811 -5.531 1.00 0.00 C ATOM 1142 O THR A 80 3.325 7.140 -6.308 1.00 0.00 O ATOM 1143 CB THR A 80 5.547 4.885 -6.383 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.851 4.454 -6.750 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.585 4.648 -7.549 1.00 0.00 C ATOM 0 H THR A 80 6.909 5.777 -4.472 1.00 0.00 H new ATOM 0 HA THR A 80 5.840 6.956 -6.922 1.00 0.00 H new ATOM 0 HB THR A 80 5.206 4.321 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.330 4.146 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.563 3.586 -7.793 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.584 4.976 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.921 5.213 -8.419 1.00 0.00 H new ATOM 1153 N MET A 81 3.998 6.800 -4.238 1.00 0.00 N ATOM 1154 CA MET A 81 2.673 7.195 -3.676 1.00 0.00 C ATOM 1155 C MET A 81 2.457 8.703 -3.837 1.00 0.00 C ATOM 1156 O MET A 81 1.402 9.143 -4.257 1.00 0.00 O ATOM 1157 CB MET A 81 2.624 6.830 -2.188 1.00 0.00 C ATOM 1158 CG MET A 81 1.934 5.466 -2.006 1.00 0.00 C ATOM 1159 SD MET A 81 0.598 5.599 -0.785 1.00 0.00 S ATOM 1160 CE MET A 81 0.493 3.841 -0.370 1.00 0.00 C ATOM 0 H MET A 81 4.697 6.533 -3.545 1.00 0.00 H new ATOM 0 HA MET A 81 1.887 6.665 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.634 6.794 -1.780 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.084 7.598 -1.634 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.533 5.123 -2.960 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.662 4.722 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.501 3.468 -0.615 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.239 3.287 -0.940 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.678 3.707 0.696 1.00 0.00 H new ATOM 1170 N LYS A 82 3.439 9.498 -3.494 1.00 0.00 N ATOM 1171 CA LYS A 82 3.286 10.979 -3.608 1.00 0.00 C ATOM 1172 C LYS A 82 3.426 11.414 -5.070 1.00 0.00 C ATOM 1173 O LYS A 82 2.766 12.335 -5.512 1.00 0.00 O ATOM 1174 CB LYS A 82 4.362 11.668 -2.766 1.00 0.00 C ATOM 1175 CG LYS A 82 3.988 11.574 -1.287 1.00 0.00 C ATOM 1176 CD LYS A 82 5.165 12.044 -0.430 1.00 0.00 C ATOM 1177 CE LYS A 82 4.635 12.732 0.830 1.00 0.00 C ATOM 1178 NZ LYS A 82 5.670 13.667 1.357 1.00 0.00 N ATOM 0 H LYS A 82 4.342 9.184 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 82 2.298 11.263 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.330 11.198 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.458 12.713 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.110 12.186 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.726 10.547 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.792 11.195 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.790 12.733 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.719 13.277 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.383 11.988 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.311 14.135 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.533 13.135 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.889 14.384 0.636 1.00 0.00 H new ATOM 1192 N SER A 83 4.279 10.763 -5.820 1.00 0.00 N ATOM 1193 CA SER A 83 4.464 11.142 -7.254 1.00 0.00 C ATOM 1194 C SER A 83 3.142 10.976 -8.009 1.00 0.00 C ATOM 1195 O SER A 83 2.885 11.661 -8.982 1.00 0.00 O ATOM 1196 CB SER A 83 5.530 10.244 -7.888 1.00 0.00 C ATOM 1197 OG SER A 83 4.985 8.952 -8.112 1.00 0.00 O ATOM 0 H SER A 83 4.856 9.985 -5.501 1.00 0.00 H new ATOM 0 HA SER A 83 4.783 12.183 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.872 10.675 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.400 10.176 -7.234 1.00 0.00 H new ATOM 0 HG SER A 83 4.423 8.697 -7.350 1.00 0.00 H new ATOM 1203 N GLU A 84 2.303 10.073 -7.567 1.00 0.00 N ATOM 1204 CA GLU A 84 0.995 9.857 -8.252 1.00 0.00 C ATOM 1205 C GLU A 84 -0.074 10.745 -7.609 1.00 0.00 C ATOM 1206 O GLU A 84 -1.026 11.147 -8.252 1.00 0.00 O ATOM 1207 CB GLU A 84 0.587 8.387 -8.114 1.00 0.00 C ATOM 1208 CG GLU A 84 1.518 7.508 -8.959 1.00 0.00 C ATOM 1209 CD GLU A 84 0.804 7.084 -10.245 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -0.039 6.207 -10.169 1.00 0.00 O ATOM 1211 OE2 GLU A 84 1.115 7.644 -11.285 1.00 0.00 O ATOM 0 H GLU A 84 2.470 9.475 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 84 1.091 10.113 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.635 8.083 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.446 8.255 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.429 8.055 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.817 6.627 -8.391 1.00 0.00 H new ATOM 1218 N GLY A 85 0.078 11.053 -6.344 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.925 11.914 -5.652 1.00 0.00 C ATOM 1220 C GLY A 85 -2.026 11.034 -5.061 1.00 0.00 C ATOM 1221 O GLY A 85 -3.173 11.431 -4.976 1.00 0.00 O ATOM 0 H GLY A 85 0.856 10.743 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.443 12.491 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.353 12.629 -6.354 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.682 9.839 -4.657 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.697 8.915 -4.073 1.00 0.00 C ATOM 1227 C LEU A 86 -2.708 9.062 -2.550 1.00 0.00 C ATOM 1228 O LEU A 86 -3.741 8.951 -1.915 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.339 7.475 -4.443 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.268 7.344 -5.967 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.517 6.063 -6.334 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.686 7.286 -6.541 1.00 0.00 C ATOM 0 H LEU A 86 -0.736 9.462 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.683 9.161 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.382 7.201 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.085 6.789 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.743 8.205 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.466 5.969 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.507 6.104 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.042 5.202 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.636 7.193 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.211 6.425 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.222 8.198 -6.280 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.566 9.310 -1.959 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.501 9.464 -0.476 1.00 0.00 C ATOM 1246 C GLY A 87 -0.143 10.044 -0.080 1.00 0.00 C ATOM 1247 O GLY A 87 0.647 10.425 -0.923 1.00 0.00 O ATOM 0 H GLY A 87 -0.674 9.413 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.302 10.119 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.650 8.498 0.007 1.00 0.00 H new ATOM 1251 N GLU A 88 0.132 10.113 1.198 1.00 0.00 N ATOM 1252 CA GLU A 88 1.438 10.668 1.660 1.00 0.00 C ATOM 1253 C GLU A 88 1.623 10.365 3.149 1.00 0.00 C ATOM 1254 O GLU A 88 2.576 9.678 3.478 1.00 0.00 O ATOM 1255 CB GLU A 88 1.458 12.183 1.440 1.00 0.00 C ATOM 1256 CG GLU A 88 0.239 12.817 2.116 1.00 0.00 C ATOM 1257 CD GLU A 88 0.002 14.212 1.535 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -0.616 14.354 0.500 1.00 0.00 O ATOM 1259 OE2 GLU A 88 0.471 15.254 2.165 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.809 10.824 3.932 1.00 0.00 O ATOM 0 H GLU A 88 -0.495 9.808 1.943 1.00 0.00 H new ATOM 0 HA GLU A 88 2.248 10.209 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.375 12.608 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.451 12.406 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.641 12.193 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.399 12.882 3.192 1.00 0.00 H new