USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0702 (180deg=-0.135) USER MOD Single : A 14 ASN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.136) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.032 (180deg=-0.584) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 0.992 (180deg=0.272) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 24:sc= 1.21 USER MOD Single : A 47 MET CE :methyl 175:sc= -0.988 (180deg=-1.07) USER MOD Single : A 53 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -0.0557 (180deg=-0.188) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 43:sc= 1.49 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 76 MET CE :methyl -159:sc= -2.29 (180deg=-3.46!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -163:sc= -0.172 (180deg=-0.987) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 89 THR OG1 : rot 76:sc= 0.974 USER MOD Single : A 90 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 91 GLN : amide:sc= 0.365 X(o=0.37,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.751 15.772 -0.477 1.00 1.00 N ATOM 2 CA MET A 1 -6.056 14.723 0.519 1.00 1.00 C ATOM 3 C MET A 1 -7.308 13.991 0.071 1.00 1.00 C ATOM 4 O MET A 1 -7.490 13.766 -1.126 1.00 1.00 O ATOM 5 CB MET A 1 -6.113 15.302 1.945 1.00 1.00 C ATOM 6 CG MET A 1 -4.805 15.996 2.339 1.00 1.00 C ATOM 7 SD MET A 1 -3.295 15.202 1.706 1.00 1.00 S ATOM 8 CE MET A 1 -2.075 16.447 2.193 1.00 1.00 C ATOM 0 H1 MET A 1 -4.727 15.792 -0.658 1.00 1.00 H new ATOM 0 H2 MET A 1 -6.255 15.567 -1.363 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.056 16.697 -0.112 1.00 1.00 H new ATOM 0 HA MET A 1 -5.255 13.986 0.572 1.00 1.00 H new ATOM 0 HB2 MET A 1 -6.935 16.014 2.014 1.00 1.00 H new ATOM 0 HB3 MET A 1 -6.325 14.501 2.653 1.00 1.00 H new ATOM 0 HG2 MET A 1 -4.834 17.025 1.981 1.00 1.00 H new ATOM 0 HG3 MET A 1 -4.747 16.039 3.427 1.00 1.00 H new ATOM 0 HE1 MET A 1 -1.081 16.124 1.882 1.00 1.00 H new ATOM 0 HE2 MET A 1 -2.314 17.397 1.715 1.00 1.00 H new ATOM 0 HE3 MET A 1 -2.094 16.571 3.276 1.00 1.00 H new ATOM 20 N GLY A 2 -8.145 13.574 1.008 1.00 1.00 N ATOM 21 CA GLY A 2 -9.500 13.131 0.735 1.00 1.00 C ATOM 22 C GLY A 2 -9.560 11.627 0.517 1.00 1.00 C ATOM 23 O GLY A 2 -8.705 10.889 1.020 1.00 1.00 O ATOM 0 H GLY A 2 -7.896 13.534 1.996 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -10.148 13.406 1.567 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -9.881 13.643 -0.148 1.00 1.00 H new ATOM 27 N ARG A 3 -10.544 11.183 -0.274 1.00 1.00 N ATOM 28 CA ARG A 3 -10.848 9.774 -0.527 1.00 1.00 C ATOM 29 C ARG A 3 -9.644 8.942 -0.923 1.00 1.00 C ATOM 30 O ARG A 3 -9.667 7.754 -0.654 1.00 1.00 O ATOM 31 CB ARG A 3 -11.990 9.606 -1.534 1.00 1.00 C ATOM 32 CG ARG A 3 -13.348 9.884 -0.877 1.00 1.00 C ATOM 33 CD ARG A 3 -14.518 9.463 -1.777 1.00 1.00 C ATOM 34 NE ARG A 3 -14.926 10.547 -2.680 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.716 11.574 -2.348 1.00 1.00 C ATOM 36 NH1 ARG A 3 -16.257 11.658 -1.136 1.00 1.00 N ATOM 37 NH2 ARG A 3 -15.962 12.527 -3.236 1.00 1.00 N ATOM 0 H ARG A 3 -11.170 11.817 -0.771 1.00 1.00 H new ATOM 0 HA ARG A 3 -11.179 9.382 0.435 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.842 10.285 -2.373 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.978 8.594 -1.938 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.409 9.349 0.071 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.430 10.947 -0.649 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.231 8.590 -2.363 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -15.365 9.167 -1.158 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.579 10.514 -3.638 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -16.072 10.933 -0.443 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.857 12.448 -0.899 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -15.550 12.475 -4.167 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -16.564 13.312 -2.988 1.00 1.00 H new ATOM 51 N ALA A 4 -8.602 9.523 -1.516 1.00 1.00 N ATOM 52 CA ALA A 4 -7.374 8.797 -1.808 1.00 1.00 C ATOM 53 C ALA A 4 -6.858 8.141 -0.519 1.00 1.00 C ATOM 54 O ALA A 4 -6.700 6.922 -0.408 1.00 1.00 O ATOM 55 CB ALA A 4 -6.330 9.777 -2.360 1.00 1.00 C ATOM 0 H ALA A 4 -8.588 10.501 -1.804 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.563 8.022 -2.551 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.408 9.240 -2.581 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.709 10.237 -3.272 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -6.130 10.551 -1.619 1.00 1.00 H new ATOM 61 N ARG A 5 -6.615 8.986 0.485 1.00 1.00 N ATOM 62 CA ARG A 5 -6.099 8.556 1.767 1.00 1.00 C ATOM 63 C ARG A 5 -7.143 7.710 2.463 1.00 1.00 C ATOM 64 O ARG A 5 -6.795 6.674 3.003 1.00 1.00 O ATOM 65 CB ARG A 5 -5.747 9.737 2.677 1.00 1.00 C ATOM 66 CG ARG A 5 -5.091 10.946 1.992 1.00 1.00 C ATOM 67 CD ARG A 5 -4.322 11.794 3.020 1.00 1.00 C ATOM 68 NE ARG A 5 -5.117 12.028 4.242 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.839 11.584 5.477 1.00 1.00 C ATOM 70 NH1 ARG A 5 -3.641 11.073 5.761 1.00 1.00 N ATOM 71 NH2 ARG A 5 -5.791 11.629 6.399 1.00 1.00 N ATOM 0 H ARG A 5 -6.775 9.991 0.422 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.188 7.988 1.579 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.659 10.075 3.169 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.076 9.380 3.459 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.411 10.605 1.211 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.854 11.555 1.507 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.391 11.291 3.283 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -4.052 12.751 2.573 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.965 12.585 4.136 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.926 11.017 5.036 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -3.440 10.738 6.703 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -6.713 11.996 6.163 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -5.601 11.297 7.344 1.00 1.00 H new ATOM 85 N ASP A 6 -8.404 8.136 2.440 1.00 1.00 N ATOM 86 CA ASP A 6 -9.469 7.461 3.171 1.00 1.00 C ATOM 87 C ASP A 6 -9.699 6.050 2.619 1.00 1.00 C ATOM 88 O ASP A 6 -10.117 5.150 3.348 1.00 1.00 O ATOM 89 CB ASP A 6 -10.773 8.273 3.115 1.00 1.00 C ATOM 90 CG ASP A 6 -10.646 9.778 3.402 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.728 10.216 4.139 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.481 10.527 2.844 1.00 1.00 O ATOM 0 H ASP A 6 -8.713 8.955 1.916 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.159 7.379 4.213 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -11.212 8.148 2.125 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.474 7.845 3.831 1.00 1.00 H new ATOM 97 N ALA A 7 -9.441 5.831 1.327 1.00 1.00 N ATOM 98 CA ALA A 7 -9.516 4.532 0.683 1.00 1.00 C ATOM 99 C ALA A 7 -8.311 3.686 1.069 1.00 1.00 C ATOM 100 O ALA A 7 -8.500 2.507 1.354 1.00 1.00 O ATOM 101 CB ALA A 7 -9.602 4.704 -0.834 1.00 1.00 C ATOM 0 H ALA A 7 -9.167 6.578 0.689 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.415 4.016 1.020 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.658 3.724 -1.309 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.493 5.280 -1.085 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.717 5.230 -1.191 1.00 1.00 H new ATOM 107 N ILE A 8 -7.093 4.252 1.073 1.00 1.00 N ATOM 108 CA ILE A 8 -5.916 3.511 1.547 1.00 1.00 C ATOM 109 C ILE A 8 -6.173 3.108 3.010 1.00 1.00 C ATOM 110 O ILE A 8 -6.004 1.944 3.351 1.00 1.00 O ATOM 111 CB ILE A 8 -4.612 4.329 1.351 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.359 4.646 -0.144 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.370 3.617 1.917 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.522 5.916 -0.332 1.00 1.00 C ATOM 0 H ILE A 8 -6.900 5.203 0.759 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.766 2.607 0.957 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.765 5.254 1.906 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.848 3.804 -0.611 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.314 4.763 -0.656 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.488 4.236 1.751 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.501 3.452 2.986 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.240 2.658 1.415 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.371 6.098 -1.396 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -4.044 6.765 0.110 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.555 5.790 0.156 1.00 1.00 H new ATOM 126 N LEU A 9 -6.644 4.030 3.851 1.00 1.00 N ATOM 127 CA LEU A 9 -6.931 3.801 5.263 1.00 1.00 C ATOM 128 C LEU A 9 -7.907 2.636 5.405 1.00 1.00 C ATOM 129 O LEU A 9 -7.592 1.652 6.073 1.00 1.00 O ATOM 130 CB LEU A 9 -7.459 5.108 5.891 1.00 1.00 C ATOM 131 CG LEU A 9 -7.397 5.223 7.425 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.300 4.222 8.137 1.00 1.00 C ATOM 133 CD2 LEU A 9 -5.977 5.110 7.987 1.00 1.00 C ATOM 0 H LEU A 9 -6.842 4.986 3.556 1.00 1.00 H new ATOM 0 HA LEU A 9 -6.026 3.523 5.803 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.896 5.939 5.466 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.497 5.236 5.584 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.765 6.229 7.628 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.211 4.354 9.215 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.334 4.387 7.835 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.001 3.208 7.870 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.007 5.200 9.073 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.554 4.143 7.714 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.358 5.907 7.574 1.00 1.00 H new ATOM 145 N ASP A 10 -9.069 2.723 4.749 1.00 1.00 N ATOM 146 CA ASP A 10 -10.095 1.682 4.801 1.00 1.00 C ATOM 147 C ASP A 10 -9.584 0.351 4.274 1.00 1.00 C ATOM 148 O ASP A 10 -9.959 -0.691 4.811 1.00 1.00 O ATOM 149 CB ASP A 10 -11.342 2.075 3.998 1.00 1.00 C ATOM 150 CG ASP A 10 -12.294 3.003 4.743 1.00 1.00 C ATOM 151 OD1 ASP A 10 -11.961 3.550 5.817 1.00 1.00 O ATOM 152 OD2 ASP A 10 -13.417 3.221 4.232 1.00 1.00 O ATOM 0 H ASP A 10 -9.323 3.521 4.166 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.357 1.575 5.854 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -11.028 2.560 3.074 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.880 1.170 3.716 1.00 1.00 H new ATOM 157 N ALA A 11 -8.755 0.371 3.228 1.00 1.00 N ATOM 158 CA ALA A 11 -8.129 -0.820 2.690 1.00 1.00 C ATOM 159 C ALA A 11 -7.270 -1.465 3.769 1.00 1.00 C ATOM 160 O ALA A 11 -7.562 -2.586 4.172 1.00 1.00 O ATOM 161 CB ALA A 11 -7.331 -0.491 1.423 1.00 1.00 C ATOM 0 H ALA A 11 -8.503 1.226 2.732 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.894 -1.538 2.393 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.870 -1.400 1.037 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.000 -0.075 0.669 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.555 0.237 1.660 1.00 1.00 H new ATOM 167 N LEU A 12 -6.243 -0.762 4.252 1.00 1.00 N ATOM 168 CA LEU A 12 -5.330 -1.247 5.283 1.00 1.00 C ATOM 169 C LEU A 12 -6.074 -1.768 6.520 1.00 1.00 C ATOM 170 O LEU A 12 -5.715 -2.815 7.050 1.00 1.00 O ATOM 171 CB LEU A 12 -4.300 -0.188 5.684 1.00 1.00 C ATOM 172 CG LEU A 12 -3.057 0.006 4.826 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.078 -1.161 5.006 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.349 0.181 3.354 1.00 1.00 C ATOM 0 H LEU A 12 -6.020 0.180 3.929 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.794 -2.086 4.839 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.817 0.770 5.732 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.967 -0.422 6.695 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.610 0.935 5.179 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.199 -0.998 4.382 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.775 -1.224 6.051 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.563 -2.092 4.712 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.413 0.314 2.811 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.865 -0.702 2.978 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.980 1.058 3.210 1.00 1.00 H new ATOM 186 N GLU A 13 -7.104 -1.057 6.973 1.00 1.00 N ATOM 187 CA GLU A 13 -7.970 -1.460 8.079 1.00 1.00 C ATOM 188 C GLU A 13 -8.638 -2.806 7.796 1.00 1.00 C ATOM 189 O GLU A 13 -8.684 -3.671 8.676 1.00 1.00 O ATOM 190 CB GLU A 13 -9.058 -0.397 8.303 1.00 1.00 C ATOM 191 CG GLU A 13 -8.581 0.825 9.092 1.00 1.00 C ATOM 192 CD GLU A 13 -8.822 0.694 10.593 1.00 1.00 C ATOM 193 OE1 GLU A 13 -9.939 1.048 11.043 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.893 0.307 11.341 1.00 1.00 O ATOM 0 H GLU A 13 -7.367 -0.158 6.569 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.352 -1.557 8.971 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.434 -0.067 7.335 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.895 -0.854 8.831 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.516 0.975 8.912 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.095 1.713 8.723 1.00 1.00 H new ATOM 201 N ASN A 14 -9.222 -2.962 6.604 1.00 1.00 N ATOM 202 CA ASN A 14 -9.914 -4.168 6.185 1.00 1.00 C ATOM 203 C ASN A 14 -8.969 -5.302 5.801 1.00 1.00 C ATOM 204 O ASN A 14 -9.448 -6.418 5.589 1.00 1.00 O ATOM 205 CB ASN A 14 -10.903 -3.844 5.062 1.00 1.00 C ATOM 206 CG ASN A 14 -12.185 -3.274 5.648 1.00 1.00 C ATOM 207 OD1 ASN A 14 -13.002 -4.014 6.193 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.366 -1.969 5.614 1.00 1.00 N ATOM 0 H ASN A 14 -9.222 -2.231 5.892 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.471 -4.537 7.046 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.459 -3.128 4.371 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -11.124 -4.745 4.489 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.194 -1.558 6.044 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.678 -1.370 5.158 1.00 1.00 H new ATOM 215 N LEU A 15 -7.655 -5.079 5.730 1.00 1.00 N ATOM 216 CA LEU A 15 -6.706 -6.143 5.484 1.00 1.00 C ATOM 217 C LEU A 15 -6.444 -6.788 6.838 1.00 1.00 C ATOM 218 O LEU A 15 -6.487 -6.129 7.882 1.00 1.00 O ATOM 219 CB LEU A 15 -5.383 -5.576 4.940 1.00 1.00 C ATOM 220 CG LEU A 15 -5.386 -5.077 3.485 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.982 -4.660 3.045 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.924 -6.132 2.517 1.00 1.00 C ATOM 0 H LEU A 15 -7.230 -4.158 5.842 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.096 -6.849 4.751 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.079 -4.749 5.582 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.619 -6.348 5.032 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.049 -4.212 3.455 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.013 -4.311 2.013 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.622 -3.857 3.689 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.309 -5.514 3.120 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.908 -5.736 1.502 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.301 -7.025 2.569 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.948 -6.388 2.790 1.00 1.00 H new ATOM 234 N THR A 16 -6.123 -8.077 6.811 1.00 1.00 N ATOM 235 CA THR A 16 -5.887 -8.837 8.025 1.00 1.00 C ATOM 236 C THR A 16 -4.392 -8.802 8.320 1.00 1.00 C ATOM 237 O THR A 16 -3.601 -8.400 7.467 1.00 1.00 O ATOM 238 CB THR A 16 -6.431 -10.271 7.867 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.810 -10.972 6.803 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.939 -10.272 7.597 1.00 1.00 C ATOM 0 H THR A 16 -6.021 -8.618 5.952 1.00 1.00 H new ATOM 0 HA THR A 16 -6.416 -8.401 8.872 1.00 1.00 H new ATOM 0 HB THR A 16 -6.210 -10.769 8.811 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.186 -11.875 6.743 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.289 -11.299 7.491 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.458 -9.796 8.429 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.145 -9.722 6.679 1.00 1.00 H new ATOM 248 N ALA A 17 -3.971 -9.223 9.513 1.00 1.00 N ATOM 249 CA ALA A 17 -2.570 -9.120 9.889 1.00 1.00 C ATOM 250 C ALA A 17 -1.658 -9.889 8.923 1.00 1.00 C ATOM 251 O ALA A 17 -0.538 -9.446 8.682 1.00 1.00 O ATOM 252 CB ALA A 17 -2.377 -9.569 11.336 1.00 1.00 C ATOM 0 H ALA A 17 -4.576 -9.633 10.225 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.276 -8.073 9.817 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.324 -9.487 11.605 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.970 -8.936 11.996 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.699 -10.605 11.441 1.00 1.00 H new ATOM 258 N GLU A 18 -2.131 -10.995 8.336 1.00 1.00 N ATOM 259 CA GLU A 18 -1.392 -11.782 7.352 1.00 1.00 C ATOM 260 C GLU A 18 -1.283 -11.032 6.027 1.00 1.00 C ATOM 261 O GLU A 18 -0.205 -10.992 5.428 1.00 1.00 O ATOM 262 CB GLU A 18 -2.079 -13.140 7.126 1.00 1.00 C ATOM 263 CG GLU A 18 -1.185 -14.137 6.372 1.00 1.00 C ATOM 264 CD GLU A 18 0.051 -14.588 7.162 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.193 -14.258 8.363 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.874 -15.350 6.596 1.00 1.00 O ATOM 0 H GLU A 18 -3.057 -11.372 8.538 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.388 -11.950 7.741 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.359 -13.566 8.089 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.001 -12.988 6.564 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.777 -15.014 6.111 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.860 -13.682 5.436 1.00 1.00 H new ATOM 273 N GLU A 19 -2.385 -10.426 5.573 1.00 1.00 N ATOM 274 CA GLU A 19 -2.387 -9.595 4.379 1.00 1.00 C ATOM 275 C GLU A 19 -1.397 -8.460 4.599 1.00 1.00 C ATOM 276 O GLU A 19 -0.549 -8.212 3.753 1.00 1.00 O ATOM 277 CB GLU A 19 -3.772 -8.994 4.115 1.00 1.00 C ATOM 278 CG GLU A 19 -4.832 -9.979 3.630 1.00 1.00 C ATOM 279 CD GLU A 19 -4.672 -10.291 2.147 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.910 -11.223 1.811 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.294 -9.604 1.300 1.00 1.00 O ATOM 0 H GLU A 19 -3.296 -10.502 6.026 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.114 -10.208 3.520 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.128 -8.527 5.033 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.670 -8.202 3.373 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.763 -10.902 4.206 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.824 -9.565 3.810 1.00 1.00 H new ATOM 288 N LEU A 20 -1.470 -7.787 5.745 1.00 1.00 N ATOM 289 CA LEU A 20 -0.591 -6.685 6.076 1.00 1.00 C ATOM 290 C LEU A 20 0.858 -7.141 6.125 1.00 1.00 C ATOM 291 O LEU A 20 1.715 -6.454 5.584 1.00 1.00 O ATOM 292 CB LEU A 20 -1.035 -6.019 7.388 1.00 1.00 C ATOM 293 CG LEU A 20 -2.372 -5.262 7.262 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.729 -4.576 8.572 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.272 -4.168 6.202 1.00 1.00 C ATOM 0 H LEU A 20 -2.152 -8.000 6.474 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.660 -5.934 5.289 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.128 -6.781 8.162 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.261 -5.325 7.716 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.130 -5.997 6.992 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.676 -4.048 8.460 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.821 -5.323 9.361 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.946 -3.865 8.835 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.225 -3.645 6.128 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.491 -3.461 6.482 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.028 -4.616 5.239 1.00 1.00 H new ATOM 307 N LYS A 21 1.156 -8.309 6.689 1.00 1.00 N ATOM 308 CA LYS A 21 2.504 -8.862 6.721 1.00 1.00 C ATOM 309 C LYS A 21 3.043 -8.998 5.301 1.00 1.00 C ATOM 310 O LYS A 21 4.108 -8.466 4.964 1.00 1.00 O ATOM 311 CB LYS A 21 2.419 -10.218 7.424 1.00 1.00 C ATOM 312 CG LYS A 21 3.797 -10.706 7.883 1.00 1.00 C ATOM 313 CD LYS A 21 3.681 -11.892 8.853 1.00 1.00 C ATOM 314 CE LYS A 21 4.935 -11.923 9.732 1.00 1.00 C ATOM 315 NZ LYS A 21 5.005 -13.115 10.594 1.00 1.00 N ATOM 0 H LYS A 21 0.460 -8.903 7.141 1.00 1.00 H new ATOM 0 HA LYS A 21 3.190 -8.210 7.261 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.755 -10.140 8.285 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.980 -10.952 6.748 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.387 -11.001 7.015 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.330 -9.889 8.368 1.00 1.00 H new ATOM 0 HD2 LYS A 21 2.788 -11.791 9.470 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.583 -12.826 8.300 1.00 1.00 H new ATOM 0 HE2 LYS A 21 5.819 -11.890 9.095 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.957 -11.029 10.355 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 5.874 -13.080 11.165 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 4.178 -13.137 11.224 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 5.013 -13.971 10.003 1.00 1.00 H new ATOM 329 N LYS A 22 2.283 -9.706 4.461 1.00 1.00 N ATOM 330 CA LYS A 22 2.579 -9.868 3.050 1.00 1.00 C ATOM 331 C LYS A 22 2.737 -8.502 2.398 1.00 1.00 C ATOM 332 O LYS A 22 3.700 -8.332 1.670 1.00 1.00 O ATOM 333 CB LYS A 22 1.493 -10.725 2.378 1.00 1.00 C ATOM 334 CG LYS A 22 1.692 -12.232 2.586 1.00 1.00 C ATOM 335 CD LYS A 22 2.453 -12.847 1.403 1.00 1.00 C ATOM 336 CE LYS A 22 1.528 -13.019 0.189 1.00 1.00 C ATOM 337 NZ LYS A 22 2.268 -13.291 -1.059 1.00 1.00 N ATOM 0 H LYS A 22 1.433 -10.187 4.755 1.00 1.00 H new ATOM 0 HA LYS A 22 3.523 -10.397 2.924 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.518 -10.437 2.771 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.481 -10.511 1.309 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.243 -12.407 3.510 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.724 -12.720 2.695 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.296 -12.209 1.136 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.864 -13.814 1.693 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.833 -13.837 0.380 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.930 -12.116 0.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.625 -13.197 -1.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.049 -12.611 -1.155 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.652 -14.257 -1.031 1.00 1.00 H new ATOM 351 N PHE A 23 1.866 -7.527 2.655 1.00 1.00 N ATOM 352 CA PHE A 23 1.904 -6.208 2.039 1.00 1.00 C ATOM 353 C PHE A 23 3.215 -5.532 2.384 1.00 1.00 C ATOM 354 O PHE A 23 3.957 -5.134 1.496 1.00 1.00 O ATOM 355 CB PHE A 23 0.706 -5.373 2.513 1.00 1.00 C ATOM 356 CG PHE A 23 0.556 -4.000 1.882 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.519 -3.846 0.480 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.392 -2.868 2.707 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.292 -2.579 -0.089 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.161 -1.609 2.130 1.00 1.00 C ATOM 361 CZ PHE A 23 0.115 -1.461 0.740 1.00 1.00 C ATOM 0 H PHE A 23 1.096 -7.639 3.315 1.00 1.00 H new ATOM 0 HA PHE A 23 1.837 -6.303 0.955 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.205 -5.940 2.321 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.781 -5.248 3.593 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.666 -4.704 -0.159 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.444 -2.969 3.781 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.254 -2.467 -1.163 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.018 -0.747 2.765 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.057 -0.487 0.305 1.00 1.00 H new ATOM 371 N LYS A 24 3.536 -5.449 3.671 1.00 1.00 N ATOM 372 CA LYS A 24 4.743 -4.832 4.189 1.00 1.00 C ATOM 373 C LYS A 24 5.997 -5.457 3.565 1.00 1.00 C ATOM 374 O LYS A 24 6.960 -4.739 3.303 1.00 1.00 O ATOM 375 CB LYS A 24 4.684 -4.915 5.721 1.00 1.00 C ATOM 376 CG LYS A 24 3.525 -4.099 6.352 1.00 1.00 C ATOM 377 CD LYS A 24 3.204 -4.570 7.776 1.00 1.00 C ATOM 378 CE LYS A 24 2.142 -3.666 8.412 1.00 1.00 C ATOM 379 NZ LYS A 24 1.436 -4.347 9.513 1.00 1.00 N ATOM 0 H LYS A 24 2.937 -5.825 4.406 1.00 1.00 H new ATOM 0 HA LYS A 24 4.805 -3.780 3.911 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.581 -5.960 6.015 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.630 -4.560 6.131 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.793 -3.043 6.371 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.635 -4.191 5.730 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.848 -5.600 7.753 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.110 -4.559 8.382 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.614 -2.759 8.788 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.423 -3.359 7.653 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 0.530 -3.869 9.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 1.258 -5.338 9.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.021 -4.315 10.372 1.00 1.00 H new ATOM 393 N LEU A 25 6.007 -6.768 3.309 1.00 1.00 N ATOM 394 CA LEU A 25 7.103 -7.437 2.610 1.00 1.00 C ATOM 395 C LEU A 25 7.057 -7.125 1.116 1.00 1.00 C ATOM 396 O LEU A 25 8.085 -6.750 0.555 1.00 1.00 O ATOM 397 CB LEU A 25 6.985 -8.964 2.802 1.00 1.00 C ATOM 398 CG LEU A 25 7.417 -9.500 4.179 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.675 -10.804 4.493 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.926 -9.775 4.224 1.00 1.00 C ATOM 0 H LEU A 25 5.251 -7.396 3.583 1.00 1.00 H new ATOM 0 HA LEU A 25 8.045 -7.077 3.024 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.949 -9.254 2.629 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.586 -9.455 2.037 1.00 1.00 H new ATOM 0 HG LEU A 25 7.172 -8.737 4.918 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.988 -11.175 5.469 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.601 -10.618 4.503 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.908 -11.548 3.731 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.198 -10.152 5.210 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.183 -10.517 3.468 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.470 -8.852 4.026 1.00 1.00 H new ATOM 412 N LYS A 26 5.916 -7.301 0.443 1.00 1.00 N ATOM 413 CA LYS A 26 5.789 -7.127 -1.003 1.00 1.00 C ATOM 414 C LYS A 26 6.094 -5.689 -1.400 1.00 1.00 C ATOM 415 O LYS A 26 6.724 -5.486 -2.437 1.00 1.00 O ATOM 416 CB LYS A 26 4.427 -7.608 -1.532 1.00 1.00 C ATOM 417 CG LYS A 26 4.223 -9.127 -1.329 1.00 1.00 C ATOM 418 CD LYS A 26 3.772 -9.871 -2.590 1.00 1.00 C ATOM 419 CE LYS A 26 4.955 -10.203 -3.499 1.00 1.00 C ATOM 420 NZ LYS A 26 4.498 -10.906 -4.708 1.00 1.00 N ATOM 0 H LYS A 26 5.043 -7.572 0.896 1.00 1.00 H new ATOM 0 HA LYS A 26 6.533 -7.764 -1.481 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.630 -7.065 -1.024 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.347 -7.371 -2.593 1.00 1.00 H new ATOM 0 HG2 LYS A 26 5.157 -9.564 -0.976 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.482 -9.282 -0.544 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.260 -10.791 -2.307 1.00 1.00 H new ATOM 0 HD3 LYS A 26 3.053 -9.261 -3.136 1.00 1.00 H new ATOM 0 HE2 LYS A 26 5.474 -9.286 -3.779 1.00 1.00 H new ATOM 0 HE3 LYS A 26 5.672 -10.823 -2.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 5.253 -11.534 -5.051 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 3.654 -11.471 -4.483 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 4.263 -10.211 -5.446 1.00 1.00 H new ATOM 434 N LEU A 27 5.758 -4.713 -0.548 1.00 1.00 N ATOM 435 CA LEU A 27 6.080 -3.299 -0.715 1.00 1.00 C ATOM 436 C LEU A 27 7.579 -3.094 -0.890 1.00 1.00 C ATOM 437 O LEU A 27 7.978 -2.055 -1.418 1.00 1.00 O ATOM 438 CB LEU A 27 5.627 -2.488 0.518 1.00 1.00 C ATOM 439 CG LEU A 27 4.140 -2.098 0.557 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.717 -1.617 1.945 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.897 -0.930 -0.394 1.00 1.00 C ATOM 0 H LEU A 27 5.235 -4.898 0.308 1.00 1.00 H new ATOM 0 HA LEU A 27 5.555 -2.954 -1.606 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.854 -3.067 1.413 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.223 -1.577 0.568 1.00 1.00 H new ATOM 0 HG LEU A 27 3.570 -2.985 0.279 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.660 -1.351 1.931 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.882 -2.413 2.672 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.307 -0.744 2.223 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.843 -0.652 -0.367 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.504 -0.079 -0.087 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.169 -1.223 -1.408 1.00 1.00 H new ATOM 453 N LEU A 28 8.407 -4.045 -0.452 1.00 1.00 N ATOM 454 CA LEU A 28 9.851 -3.957 -0.525 1.00 1.00 C ATOM 455 C LEU A 28 10.402 -5.270 -1.116 1.00 1.00 C ATOM 456 O LEU A 28 11.527 -5.674 -0.818 1.00 1.00 O ATOM 457 CB LEU A 28 10.365 -3.620 0.886 1.00 1.00 C ATOM 458 CG LEU A 28 11.777 -2.964 0.941 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.701 -3.567 1.990 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.584 -2.760 -0.354 1.00 1.00 C ATOM 0 H LEU A 28 8.077 -4.912 -0.029 1.00 1.00 H new ATOM 0 HA LEU A 28 10.199 -3.167 -1.190 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.652 -2.949 1.364 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.385 -4.536 1.476 1.00 1.00 H new ATOM 0 HG LEU A 28 11.448 -1.962 1.215 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.663 -3.056 1.964 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.255 -3.451 2.978 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.847 -4.627 1.780 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.539 -2.291 -0.118 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.762 -3.725 -0.828 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.024 -2.119 -1.035 1.00 1.00 H new ATOM 472 N SER A 29 9.604 -5.968 -1.933 1.00 1.00 N ATOM 473 CA SER A 29 9.985 -7.170 -2.666 1.00 1.00 C ATOM 474 C SER A 29 10.152 -6.730 -4.115 1.00 1.00 C ATOM 475 O SER A 29 11.290 -6.631 -4.584 1.00 1.00 O ATOM 476 CB SER A 29 8.941 -8.279 -2.474 1.00 1.00 C ATOM 477 OG SER A 29 9.321 -9.480 -3.112 1.00 1.00 O ATOM 0 H SER A 29 8.636 -5.695 -2.105 1.00 1.00 H new ATOM 0 HA SER A 29 10.916 -7.607 -2.304 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.800 -8.463 -1.409 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.982 -7.946 -2.870 1.00 1.00 H new ATOM 0 HG SER A 29 8.632 -10.161 -2.965 1.00 1.00 H new ATOM 483 N VAL A 30 9.045 -6.400 -4.791 1.00 1.00 N ATOM 484 CA VAL A 30 9.076 -5.862 -6.144 1.00 1.00 C ATOM 485 C VAL A 30 9.858 -4.541 -6.081 1.00 1.00 C ATOM 486 O VAL A 30 9.523 -3.691 -5.247 1.00 1.00 O ATOM 487 CB VAL A 30 7.648 -5.741 -6.734 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.577 -5.209 -5.765 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.624 -4.891 -8.012 1.00 1.00 C ATOM 0 H VAL A 30 8.105 -6.501 -4.409 1.00 1.00 H new ATOM 0 HA VAL A 30 9.586 -6.531 -6.837 1.00 1.00 H new ATOM 0 HB VAL A 30 7.384 -6.775 -6.958 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.615 -5.163 -6.276 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.500 -5.876 -4.906 1.00 1.00 H new ATOM 0 HG13 VAL A 30 6.856 -4.211 -5.426 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.604 -4.833 -8.391 1.00 1.00 H new ATOM 0 HG22 VAL A 30 7.986 -3.887 -7.788 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.266 -5.348 -8.765 1.00 1.00 H new ATOM 499 N PRO A 31 10.908 -4.351 -6.900 1.00 1.00 N ATOM 500 CA PRO A 31 11.633 -3.097 -6.917 1.00 1.00 C ATOM 501 C PRO A 31 10.707 -2.020 -7.467 1.00 1.00 C ATOM 502 O PRO A 31 10.134 -2.191 -8.548 1.00 1.00 O ATOM 503 CB PRO A 31 12.861 -3.325 -7.804 1.00 1.00 C ATOM 504 CG PRO A 31 12.450 -4.476 -8.722 1.00 1.00 C ATOM 505 CD PRO A 31 11.442 -5.273 -7.894 1.00 1.00 C ATOM 0 HA PRO A 31 11.959 -2.770 -5.930 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.112 -2.431 -8.374 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.739 -3.582 -7.211 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.004 -4.109 -9.646 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.308 -5.088 -9.002 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.646 -5.668 -8.525 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.921 -6.127 -7.415 1.00 1.00 H new ATOM 513 N LEU A 32 10.595 -0.892 -6.769 1.00 1.00 N ATOM 514 CA LEU A 32 9.682 0.173 -7.178 1.00 1.00 C ATOM 515 C LEU A 32 10.388 1.021 -8.241 1.00 1.00 C ATOM 516 O LEU A 32 11.604 0.894 -8.437 1.00 1.00 O ATOM 517 CB LEU A 32 9.308 1.006 -5.939 1.00 1.00 C ATOM 518 CG LEU A 32 8.141 1.997 -6.119 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.818 1.298 -6.456 1.00 1.00 C ATOM 520 CD2 LEU A 32 7.964 2.778 -4.818 1.00 1.00 C ATOM 0 H LEU A 32 11.123 -0.692 -5.920 1.00 1.00 H new ATOM 0 HA LEU A 32 8.762 -0.226 -7.605 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.056 0.322 -5.128 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.188 1.565 -5.622 1.00 1.00 H new ATOM 0 HG LEU A 32 8.388 2.652 -6.954 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.032 2.044 -6.572 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.928 0.740 -7.386 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.553 0.613 -5.651 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.142 3.485 -4.927 1.00 1.00 H new ATOM 0 HD22 LEU A 32 7.742 2.086 -4.005 1.00 1.00 H new ATOM 0 HD23 LEU A 32 8.882 3.321 -4.592 1.00 1.00 H new ATOM 532 N ARG A 33 9.639 1.852 -8.962 1.00 1.00 N ATOM 533 CA ARG A 33 10.192 2.685 -10.023 1.00 1.00 C ATOM 534 C ARG A 33 10.982 3.824 -9.385 1.00 1.00 C ATOM 535 O ARG A 33 10.681 4.243 -8.266 1.00 1.00 O ATOM 536 CB ARG A 33 9.057 3.206 -10.916 1.00 1.00 C ATOM 537 CG ARG A 33 8.226 2.050 -11.504 1.00 1.00 C ATOM 538 CD ARG A 33 7.299 2.553 -12.610 1.00 1.00 C ATOM 539 NE ARG A 33 6.508 1.471 -13.220 1.00 1.00 N ATOM 540 CZ ARG A 33 6.919 0.621 -14.169 1.00 1.00 C ATOM 541 NH1 ARG A 33 8.156 0.670 -14.655 1.00 1.00 N ATOM 542 NH2 ARG A 33 6.089 -0.296 -14.646 1.00 1.00 N ATOM 0 H ARG A 33 8.634 1.966 -8.827 1.00 1.00 H new ATOM 0 HA ARG A 33 10.866 2.108 -10.656 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.409 3.863 -10.336 1.00 1.00 H new ATOM 0 HB3 ARG A 33 9.475 3.804 -11.726 1.00 1.00 H new ATOM 0 HG2 ARG A 33 8.892 1.284 -11.902 1.00 1.00 H new ATOM 0 HG3 ARG A 33 7.637 1.582 -10.715 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.625 3.305 -12.200 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.892 3.044 -13.381 1.00 1.00 H new ATOM 0 HE ARG A 33 5.551 1.358 -12.886 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.814 1.366 -14.305 1.00 1.00 H new ATOM 0 HH12 ARG A 33 8.446 0.012 -15.378 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.135 -0.355 -14.290 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.404 -0.943 -15.369 1.00 1.00 H new ATOM 556 N GLU A 34 11.998 4.322 -10.086 1.00 1.00 N ATOM 557 CA GLU A 34 12.891 5.333 -9.538 1.00 1.00 C ATOM 558 C GLU A 34 12.298 6.741 -9.704 1.00 1.00 C ATOM 559 O GLU A 34 11.335 6.949 -10.450 1.00 1.00 O ATOM 560 CB GLU A 34 14.294 5.146 -10.142 1.00 1.00 C ATOM 561 CG GLU A 34 15.425 5.892 -9.415 1.00 1.00 C ATOM 562 CD GLU A 34 15.309 5.788 -7.893 1.00 1.00 C ATOM 563 OE1 GLU A 34 15.535 4.698 -7.317 1.00 1.00 O ATOM 564 OE2 GLU A 34 14.880 6.776 -7.266 1.00 1.00 O ATOM 0 H GLU A 34 12.222 4.038 -11.040 1.00 1.00 H new ATOM 0 HA GLU A 34 12.999 5.210 -8.460 1.00 1.00 H new ATOM 0 HB2 GLU A 34 14.529 4.082 -10.151 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.272 5.476 -11.181 1.00 1.00 H new ATOM 0 HG2 GLU A 34 16.386 5.487 -9.732 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.410 6.942 -9.707 1.00 1.00 H new ATOM 571 N GLY A 35 12.877 7.709 -8.994 1.00 1.00 N ATOM 572 CA GLY A 35 12.435 9.093 -8.890 1.00 1.00 C ATOM 573 C GLY A 35 11.634 9.282 -7.597 1.00 1.00 C ATOM 574 O GLY A 35 11.236 10.404 -7.274 1.00 1.00 O ATOM 0 H GLY A 35 13.718 7.534 -8.444 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.296 9.762 -8.897 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.821 9.355 -9.752 1.00 1.00 H new ATOM 578 N TYR A 36 11.422 8.200 -6.844 1.00 1.00 N ATOM 579 CA TYR A 36 10.615 8.128 -5.645 1.00 1.00 C ATOM 580 C TYR A 36 11.381 7.379 -4.557 1.00 1.00 C ATOM 581 O TYR A 36 12.392 6.718 -4.832 1.00 1.00 O ATOM 582 CB TYR A 36 9.313 7.396 -5.975 1.00 1.00 C ATOM 583 CG TYR A 36 8.453 8.037 -7.045 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.569 9.076 -6.702 1.00 1.00 C ATOM 585 CD2 TYR A 36 8.518 7.575 -8.373 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.728 9.638 -7.677 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.701 8.151 -9.360 1.00 1.00 C ATOM 588 CZ TYR A 36 6.797 9.177 -9.012 1.00 1.00 C ATOM 589 OH TYR A 36 5.993 9.732 -9.961 1.00 1.00 O ATOM 0 H TYR A 36 11.840 7.300 -7.079 1.00 1.00 H new ATOM 0 HA TYR A 36 10.388 9.131 -5.283 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.558 6.382 -6.291 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.723 7.312 -5.062 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.537 9.443 -5.687 1.00 1.00 H new ATOM 0 HD2 TYR A 36 9.197 6.777 -8.634 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.032 10.419 -7.408 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.765 7.809 -10.383 1.00 1.00 H new ATOM 0 HH TYR A 36 6.164 9.304 -10.826 1.00 1.00 H new ATOM 599 N GLY A 37 10.900 7.466 -3.320 1.00 1.00 N ATOM 600 CA GLY A 37 11.573 6.893 -2.160 1.00 1.00 C ATOM 601 C GLY A 37 11.204 5.428 -1.951 1.00 1.00 C ATOM 602 O GLY A 37 10.286 4.896 -2.587 1.00 1.00 O ATOM 0 H GLY A 37 10.026 7.940 -3.094 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.652 6.980 -2.287 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.310 7.464 -1.270 1.00 1.00 H new ATOM 606 N ARG A 38 11.850 4.768 -0.984 1.00 1.00 N ATOM 607 CA ARG A 38 11.544 3.393 -0.604 1.00 1.00 C ATOM 608 C ARG A 38 11.391 3.275 0.905 1.00 1.00 C ATOM 609 O ARG A 38 12.330 3.551 1.652 1.00 1.00 O ATOM 610 CB ARG A 38 12.623 2.442 -1.160 1.00 1.00 C ATOM 611 CG ARG A 38 12.455 2.153 -2.665 1.00 1.00 C ATOM 612 CD ARG A 38 11.517 0.974 -2.967 1.00 1.00 C ATOM 613 NE ARG A 38 10.131 1.205 -2.508 1.00 1.00 N ATOM 614 CZ ARG A 38 9.589 0.744 -1.373 1.00 1.00 C ATOM 615 NH1 ARG A 38 10.273 -0.064 -0.568 1.00 1.00 N ATOM 616 NH2 ARG A 38 8.385 1.165 -0.993 1.00 1.00 N ATOM 0 H ARG A 38 12.607 5.182 -0.440 1.00 1.00 H new ATOM 0 HA ARG A 38 10.590 3.100 -1.042 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.607 2.878 -0.987 1.00 1.00 H new ATOM 0 HB3 ARG A 38 12.589 1.502 -0.609 1.00 1.00 H new ATOM 0 HG2 ARG A 38 12.071 3.047 -3.157 1.00 1.00 H new ATOM 0 HG3 ARG A 38 13.434 1.947 -3.098 1.00 1.00 H new ATOM 0 HD2 ARG A 38 11.512 0.787 -4.041 1.00 1.00 H new ATOM 0 HD3 ARG A 38 11.907 0.075 -2.489 1.00 1.00 H new ATOM 0 HE ARG A 38 9.532 1.768 -3.112 1.00 1.00 H new ATOM 0 HH11 ARG A 38 11.224 -0.341 -0.811 1.00 1.00 H new ATOM 0 HH12 ARG A 38 9.847 -0.407 0.293 1.00 1.00 H new ATOM 0 HH21 ARG A 38 7.876 1.838 -1.566 1.00 1.00 H new ATOM 0 HH22 ARG A 38 7.971 0.815 -0.129 1.00 1.00 H new ATOM 630 N ILE A 39 10.204 2.861 1.348 1.00 1.00 N ATOM 631 CA ILE A 39 9.921 2.590 2.753 1.00 1.00 C ATOM 632 C ILE A 39 10.423 1.148 2.971 1.00 1.00 C ATOM 633 O ILE A 39 9.962 0.256 2.242 1.00 1.00 O ATOM 634 CB ILE A 39 8.403 2.713 3.075 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.706 3.938 2.428 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.247 2.772 4.604 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.174 3.949 2.567 1.00 1.00 C ATOM 0 H ILE A 39 9.405 2.703 0.733 1.00 1.00 H new ATOM 0 HA ILE A 39 10.409 3.308 3.412 1.00 1.00 H new ATOM 0 HB ILE A 39 7.910 1.842 2.645 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.105 4.847 2.878 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.962 3.968 1.369 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.191 2.859 4.859 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.654 1.863 5.047 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.786 3.637 4.992 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.771 4.841 2.086 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.759 3.061 2.090 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.905 3.953 3.623 1.00 1.00 H new ATOM 649 N PRO A 40 11.396 0.898 3.868 1.00 1.00 N ATOM 650 CA PRO A 40 11.919 -0.441 4.102 1.00 1.00 C ATOM 651 C PRO A 40 10.911 -1.287 4.890 1.00 1.00 C ATOM 652 O PRO A 40 10.007 -0.777 5.555 1.00 1.00 O ATOM 653 CB PRO A 40 13.235 -0.242 4.854 1.00 1.00 C ATOM 654 CG PRO A 40 12.953 1.016 5.665 1.00 1.00 C ATOM 655 CD PRO A 40 12.083 1.853 4.724 1.00 1.00 C ATOM 0 HA PRO A 40 12.090 -0.988 3.175 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.472 -1.093 5.492 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.077 -0.108 4.174 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.434 0.787 6.596 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.872 1.537 5.933 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.371 2.459 5.285 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.692 2.539 4.135 1.00 1.00 H new ATOM 663 N ARG A 41 11.101 -2.605 4.867 1.00 1.00 N ATOM 664 CA ARG A 41 10.187 -3.568 5.466 1.00 1.00 C ATOM 665 C ARG A 41 10.118 -3.400 6.981 1.00 1.00 C ATOM 666 O ARG A 41 9.022 -3.420 7.524 1.00 1.00 O ATOM 667 CB ARG A 41 10.595 -4.974 5.012 1.00 1.00 C ATOM 668 CG ARG A 41 9.659 -6.092 5.476 1.00 1.00 C ATOM 669 CD ARG A 41 10.395 -7.002 6.462 1.00 1.00 C ATOM 670 NE ARG A 41 9.515 -8.054 6.991 1.00 1.00 N ATOM 671 CZ ARG A 41 9.376 -8.378 8.282 1.00 1.00 C ATOM 672 NH1 ARG A 41 10.174 -7.851 9.204 1.00 1.00 N ATOM 673 NH2 ARG A 41 8.424 -9.224 8.640 1.00 1.00 N ATOM 0 H ARG A 41 11.910 -3.039 4.423 1.00 1.00 H new ATOM 0 HA ARG A 41 9.167 -3.393 5.123 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.645 -4.989 3.923 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.599 -5.183 5.381 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.774 -5.666 5.949 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.315 -6.671 4.619 1.00 1.00 H new ATOM 0 HD2 ARG A 41 11.251 -7.459 5.966 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.785 -6.405 7.286 1.00 1.00 H new ATOM 0 HE ARG A 41 8.963 -8.583 6.316 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.903 -7.191 8.931 1.00 1.00 H new ATOM 0 HH12 ARG A 41 10.058 -8.106 10.185 1.00 1.00 H new ATOM 0 HH21 ARG A 41 7.804 -9.623 7.935 1.00 1.00 H new ATOM 0 HH22 ARG A 41 8.310 -9.478 9.621 1.00 1.00 H new ATOM 687 N GLY A 42 11.241 -3.203 7.676 1.00 1.00 N ATOM 688 CA GLY A 42 11.229 -3.006 9.126 1.00 1.00 C ATOM 689 C GLY A 42 10.371 -1.806 9.532 1.00 1.00 C ATOM 690 O GLY A 42 9.584 -1.900 10.479 1.00 1.00 O ATOM 0 H GLY A 42 12.170 -3.176 7.257 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.849 -3.905 9.611 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.249 -2.859 9.481 1.00 1.00 H new ATOM 694 N ALA A 43 10.486 -0.698 8.790 1.00 1.00 N ATOM 695 CA ALA A 43 9.651 0.476 9.004 1.00 1.00 C ATOM 696 C ALA A 43 8.190 0.078 8.844 1.00 1.00 C ATOM 697 O ALA A 43 7.388 0.303 9.749 1.00 1.00 O ATOM 698 CB ALA A 43 10.019 1.601 8.037 1.00 1.00 C ATOM 0 H ALA A 43 11.159 -0.596 8.030 1.00 1.00 H new ATOM 0 HA ALA A 43 9.817 0.854 10.013 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.378 2.463 8.221 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.061 1.884 8.188 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.881 1.259 7.011 1.00 1.00 H new ATOM 704 N LEU A 44 7.865 -0.573 7.726 1.00 1.00 N ATOM 705 CA LEU A 44 6.518 -1.029 7.424 1.00 1.00 C ATOM 706 C LEU A 44 5.952 -1.928 8.532 1.00 1.00 C ATOM 707 O LEU A 44 4.763 -1.823 8.820 1.00 1.00 O ATOM 708 CB LEU A 44 6.499 -1.669 6.029 1.00 1.00 C ATOM 709 CG LEU A 44 6.700 -0.665 4.881 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.922 -1.431 3.577 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.491 0.266 4.717 1.00 1.00 C ATOM 0 H LEU A 44 8.543 -0.799 6.998 1.00 1.00 H new ATOM 0 HA LEU A 44 5.842 -0.175 7.398 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.281 -2.427 5.977 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.548 -2.182 5.888 1.00 1.00 H new ATOM 0 HG LEU A 44 7.568 -0.051 5.121 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.065 -0.724 2.760 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.807 -2.061 3.671 1.00 1.00 H new ATOM 0 HD13 LEU A 44 6.053 -2.055 3.369 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.674 0.959 3.896 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.602 -0.327 4.500 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.337 0.828 5.638 1.00 1.00 H new ATOM 723 N LEU A 45 6.762 -2.781 9.174 1.00 1.00 N ATOM 724 CA LEU A 45 6.322 -3.583 10.324 1.00 1.00 C ATOM 725 C LEU A 45 6.088 -2.733 11.565 1.00 1.00 C ATOM 726 O LEU A 45 5.172 -3.060 12.317 1.00 1.00 O ATOM 727 CB LEU A 45 7.226 -4.787 10.672 1.00 1.00 C ATOM 728 CG LEU A 45 7.036 -6.087 9.866 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.707 -6.774 10.204 1.00 1.00 C ATOM 730 CD2 LEU A 45 7.140 -5.917 8.355 1.00 1.00 C ATOM 0 H LEU A 45 7.736 -2.934 8.913 1.00 1.00 H new ATOM 0 HA LEU A 45 5.374 -4.005 9.990 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.263 -4.471 10.558 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.079 -5.022 11.726 1.00 1.00 H new ATOM 0 HG LEU A 45 7.872 -6.715 10.173 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.609 -7.687 9.616 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.685 -7.022 11.265 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.881 -6.102 9.971 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.994 -6.882 7.869 1.00 1.00 H new ATOM 0 HD22 LEU A 45 6.375 -5.219 8.014 1.00 1.00 H new ATOM 0 HD23 LEU A 45 8.126 -5.528 8.100 1.00 1.00 H new ATOM 742 N SER A 46 6.894 -1.702 11.838 1.00 1.00 N ATOM 743 CA SER A 46 6.604 -0.821 12.958 1.00 1.00 C ATOM 744 C SER A 46 5.384 0.067 12.690 1.00 1.00 C ATOM 745 O SER A 46 4.784 0.599 13.623 1.00 1.00 O ATOM 746 CB SER A 46 7.833 0.024 13.270 1.00 1.00 C ATOM 747 OG SER A 46 8.470 0.614 12.147 1.00 1.00 O ATOM 0 H SER A 46 7.733 -1.465 11.308 1.00 1.00 H new ATOM 0 HA SER A 46 6.359 -1.438 13.823 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.542 0.817 13.959 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.559 -0.600 13.791 1.00 1.00 H new ATOM 0 HG SER A 46 7.827 0.696 11.412 1.00 1.00 H new ATOM 753 N MET A 47 5.059 0.304 11.420 1.00 1.00 N ATOM 754 CA MET A 47 3.910 1.078 10.996 1.00 1.00 C ATOM 755 C MET A 47 2.665 0.193 11.036 1.00 1.00 C ATOM 756 O MET A 47 2.738 -1.036 11.105 1.00 1.00 O ATOM 757 CB MET A 47 4.166 1.601 9.574 1.00 1.00 C ATOM 758 CG MET A 47 5.300 2.634 9.497 1.00 1.00 C ATOM 759 SD MET A 47 6.027 2.840 7.846 1.00 1.00 S ATOM 760 CE MET A 47 4.547 3.302 6.916 1.00 1.00 C ATOM 0 H MET A 47 5.610 -0.052 10.639 1.00 1.00 H new ATOM 0 HA MET A 47 3.751 1.926 11.662 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.406 0.760 8.924 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.250 2.049 9.190 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.919 3.598 9.834 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.087 2.342 10.192 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.824 3.554 5.893 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.847 2.466 6.907 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.076 4.164 7.387 1.00 1.00 H new ATOM 770 N ASP A 48 1.507 0.828 10.957 1.00 1.00 N ATOM 771 CA ASP A 48 0.187 0.223 10.867 1.00 1.00 C ATOM 772 C ASP A 48 -0.507 0.815 9.648 1.00 1.00 C ATOM 773 O ASP A 48 0.153 1.312 8.732 1.00 1.00 O ATOM 774 CB ASP A 48 -0.632 0.491 12.136 1.00 1.00 C ATOM 775 CG ASP A 48 -1.105 1.940 12.221 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.283 2.866 12.074 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.328 2.163 12.337 1.00 1.00 O ATOM 0 H ASP A 48 1.461 1.847 10.954 1.00 1.00 H new ATOM 0 HA ASP A 48 0.278 -0.859 10.769 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.496 -0.173 12.156 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.028 0.255 13.013 1.00 1.00 H new ATOM 782 N ALA A 49 -1.832 0.732 9.631 1.00 1.00 N ATOM 783 CA ALA A 49 -2.686 1.319 8.613 1.00 1.00 C ATOM 784 C ALA A 49 -2.632 2.848 8.607 1.00 1.00 C ATOM 785 O ALA A 49 -2.558 3.437 7.527 1.00 1.00 O ATOM 786 CB ALA A 49 -4.130 0.863 8.877 1.00 1.00 C ATOM 0 H ALA A 49 -2.357 0.236 10.352 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.331 0.984 7.638 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.791 1.292 8.124 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.183 -0.225 8.829 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.442 1.198 9.866 1.00 1.00 H new ATOM 792 N LEU A 50 -2.695 3.491 9.779 1.00 1.00 N ATOM 793 CA LEU A 50 -2.692 4.945 9.896 1.00 1.00 C ATOM 794 C LEU A 50 -1.331 5.482 9.488 1.00 1.00 C ATOM 795 O LEU A 50 -1.254 6.305 8.575 1.00 1.00 O ATOM 796 CB LEU A 50 -3.041 5.375 11.327 1.00 1.00 C ATOM 797 CG LEU A 50 -3.005 6.905 11.532 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.018 7.651 10.653 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.298 7.224 12.999 1.00 1.00 C ATOM 0 H LEU A 50 -2.750 3.009 10.676 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.451 5.358 9.231 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.035 5.005 11.578 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.343 4.906 12.020 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.009 7.242 11.243 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.945 8.722 10.842 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.804 7.453 9.603 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.026 7.309 10.889 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.274 8.303 13.149 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.284 6.843 13.264 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.545 6.753 13.631 1.00 1.00 H new ATOM 811 N ASP A 51 -0.267 5.004 10.147 1.00 1.00 N ATOM 812 CA ASP A 51 1.093 5.363 9.769 1.00 1.00 C ATOM 813 C ASP A 51 1.356 5.087 8.314 1.00 1.00 C ATOM 814 O ASP A 51 1.960 5.939 7.674 1.00 1.00 O ATOM 815 CB ASP A 51 2.217 4.754 10.616 1.00 1.00 C ATOM 816 CG ASP A 51 2.506 5.489 11.919 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.738 5.422 12.902 1.00 1.00 O ATOM 818 OD2 ASP A 51 3.568 6.158 11.958 1.00 1.00 O ATOM 0 H ASP A 51 -0.329 4.369 10.943 1.00 1.00 H new ATOM 0 HA ASP A 51 1.127 6.434 9.970 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.959 3.721 10.848 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.129 4.729 10.020 1.00 1.00 H new ATOM 823 N LEU A 52 0.926 3.943 7.767 1.00 1.00 N ATOM 824 CA LEU A 52 1.109 3.749 6.342 1.00 1.00 C ATOM 825 C LEU A 52 0.370 4.821 5.579 1.00 1.00 C ATOM 826 O LEU A 52 1.039 5.508 4.834 1.00 1.00 O ATOM 827 CB LEU A 52 0.706 2.354 5.857 1.00 1.00 C ATOM 828 CG LEU A 52 0.822 2.253 4.312 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.772 1.138 3.877 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.552 2.056 3.666 1.00 1.00 C ATOM 0 H LEU A 52 0.472 3.179 8.267 1.00 1.00 H new ATOM 0 HA LEU A 52 2.178 3.831 6.147 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.344 1.603 6.324 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.317 2.139 6.164 1.00 1.00 H new ATOM 0 HG LEU A 52 1.240 3.199 3.968 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.821 1.106 2.789 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.767 1.330 4.279 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.407 0.182 4.252 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.439 1.989 2.584 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.002 1.137 4.042 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.194 2.902 3.912 1.00 1.00 H new ATOM 842 N THR A 53 -0.941 4.970 5.704 1.00 1.00 N ATOM 843 CA THR A 53 -1.688 5.927 4.900 1.00 1.00 C ATOM 844 C THR A 53 -1.032 7.308 4.909 1.00 1.00 C ATOM 845 O THR A 53 -0.790 7.883 3.844 1.00 1.00 O ATOM 846 CB THR A 53 -3.132 5.970 5.414 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.690 4.674 5.359 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.994 6.932 4.596 1.00 1.00 C ATOM 0 H THR A 53 -1.513 4.437 6.359 1.00 1.00 H new ATOM 0 HA THR A 53 -1.688 5.607 3.858 1.00 1.00 H new ATOM 0 HB THR A 53 -3.112 6.328 6.443 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.447 4.179 6.169 1.00 1.00 H new ATOM 0 HG21 THR A 53 -5.010 6.935 4.990 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.577 7.937 4.659 1.00 1.00 H new ATOM 0 HG23 THR A 53 -4.010 6.610 3.555 1.00 1.00 H new ATOM 856 N ASP A 54 -0.702 7.814 6.094 1.00 1.00 N ATOM 857 CA ASP A 54 -0.064 9.112 6.255 1.00 1.00 C ATOM 858 C ASP A 54 1.277 9.127 5.524 1.00 1.00 C ATOM 859 O ASP A 54 1.546 10.033 4.720 1.00 1.00 O ATOM 860 CB ASP A 54 0.135 9.432 7.745 1.00 1.00 C ATOM 861 CG ASP A 54 -1.114 9.930 8.474 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.189 10.123 7.858 1.00 1.00 O ATOM 863 OD2 ASP A 54 -0.991 10.231 9.681 1.00 1.00 O ATOM 0 H ASP A 54 -0.872 7.329 6.975 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.710 9.877 5.823 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.497 8.535 8.248 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.916 10.187 7.837 1.00 1.00 H new ATOM 868 N LYS A 55 2.121 8.125 5.804 1.00 1.00 N ATOM 869 CA LYS A 55 3.454 8.024 5.239 1.00 1.00 C ATOM 870 C LYS A 55 3.342 7.873 3.735 1.00 1.00 C ATOM 871 O LYS A 55 3.767 8.762 3.026 1.00 1.00 O ATOM 872 CB LYS A 55 4.257 6.860 5.854 1.00 1.00 C ATOM 873 CG LYS A 55 5.755 7.109 5.640 1.00 1.00 C ATOM 874 CD LYS A 55 6.611 6.022 6.305 1.00 1.00 C ATOM 875 CE LYS A 55 8.078 6.432 6.464 1.00 1.00 C ATOM 876 NZ LYS A 55 8.649 6.974 5.219 1.00 1.00 N ATOM 0 H LYS A 55 1.886 7.360 6.436 1.00 1.00 H new ATOM 0 HA LYS A 55 4.002 8.936 5.476 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.039 6.775 6.919 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.964 5.917 5.393 1.00 1.00 H new ATOM 0 HG2 LYS A 55 5.970 7.139 4.572 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.024 8.084 6.047 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.196 5.789 7.286 1.00 1.00 H new ATOM 0 HD3 LYS A 55 6.556 5.110 5.711 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.160 7.179 7.253 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.661 5.568 6.782 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 9.673 7.110 5.337 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 8.476 6.308 4.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 8.202 7.887 5.001 1.00 1.00 H new ATOM 890 N LEU A 56 2.784 6.773 3.243 1.00 1.00 N ATOM 891 CA LEU A 56 2.654 6.360 1.854 1.00 1.00 C ATOM 892 C LEU A 56 2.084 7.504 1.011 1.00 1.00 C ATOM 893 O LEU A 56 2.600 7.731 -0.081 1.00 1.00 O ATOM 894 CB LEU A 56 1.847 5.037 1.876 1.00 1.00 C ATOM 895 CG LEU A 56 1.273 4.357 0.626 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.226 5.256 -0.018 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.288 3.809 -0.384 1.00 1.00 C ATOM 0 H LEU A 56 2.372 6.082 3.870 1.00 1.00 H new ATOM 0 HA LEU A 56 3.603 6.151 1.360 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.489 4.298 2.356 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.002 5.208 2.544 1.00 1.00 H new ATOM 0 HG LEU A 56 0.802 3.443 0.987 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -0.177 4.767 -0.905 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.580 5.442 0.692 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.685 6.203 -0.303 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.759 3.354 -1.221 1.00 1.00 H new ATOM 0 HD22 LEU A 56 2.913 4.623 -0.750 1.00 1.00 H new ATOM 0 HD23 LEU A 56 2.915 3.060 0.100 1.00 1.00 H new ATOM 909 N VAL A 57 1.088 8.263 1.481 1.00 1.00 N ATOM 910 CA VAL A 57 0.618 9.415 0.715 1.00 1.00 C ATOM 911 C VAL A 57 1.693 10.509 0.692 1.00 1.00 C ATOM 912 O VAL A 57 2.122 10.900 -0.396 1.00 1.00 O ATOM 913 CB VAL A 57 -0.747 9.887 1.256 1.00 1.00 C ATOM 914 CG1 VAL A 57 -1.196 11.212 0.626 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.824 8.824 0.963 1.00 1.00 C ATOM 0 H VAL A 57 0.604 8.104 2.365 1.00 1.00 H new ATOM 0 HA VAL A 57 0.452 9.136 -0.325 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.627 10.036 2.329 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.162 11.502 1.039 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.461 11.986 0.844 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.285 11.090 -0.453 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.785 9.164 1.348 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.899 8.669 -0.113 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.551 7.886 1.447 1.00 1.00 H new ATOM 925 N SER A 58 2.156 11.002 1.848 1.00 1.00 N ATOM 926 CA SER A 58 3.097 12.123 1.868 1.00 1.00 C ATOM 927 C SER A 58 4.455 11.782 1.237 1.00 1.00 C ATOM 928 O SER A 58 5.122 12.633 0.653 1.00 1.00 O ATOM 929 CB SER A 58 3.256 12.569 3.321 1.00 1.00 C ATOM 930 OG SER A 58 3.941 13.799 3.416 1.00 1.00 O ATOM 0 H SER A 58 1.897 10.646 2.768 1.00 1.00 H new ATOM 0 HA SER A 58 2.696 12.931 1.257 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.273 12.663 3.783 1.00 1.00 H new ATOM 0 HB3 SER A 58 3.799 11.806 3.879 1.00 1.00 H new ATOM 0 HG SER A 58 4.024 14.055 4.358 1.00 1.00 H new ATOM 936 N PHE A 59 4.883 10.534 1.362 1.00 1.00 N ATOM 937 CA PHE A 59 6.148 9.980 0.914 1.00 1.00 C ATOM 938 C PHE A 59 6.163 9.761 -0.593 1.00 1.00 C ATOM 939 O PHE A 59 7.248 9.631 -1.158 1.00 1.00 O ATOM 940 CB PHE A 59 6.352 8.650 1.641 1.00 1.00 C ATOM 941 CG PHE A 59 7.709 8.009 1.495 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.763 8.409 2.325 1.00 1.00 C ATOM 943 CD2 PHE A 59 7.908 6.980 0.568 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.018 7.787 2.223 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.148 6.331 0.488 1.00 1.00 C ATOM 946 CZ PHE A 59 10.210 6.735 1.315 1.00 1.00 C ATOM 0 H PHE A 59 4.305 9.827 1.817 1.00 1.00 H new ATOM 0 HA PHE A 59 6.953 10.679 1.141 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.161 8.808 2.702 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.601 7.946 1.283 1.00 1.00 H new ATOM 0 HD1 PHE A 59 8.611 9.198 3.046 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.103 6.685 -0.089 1.00 1.00 H new ATOM 0 HE1 PHE A 59 10.836 8.119 2.844 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.287 5.519 -0.210 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.167 6.239 1.252 1.00 1.00 H new ATOM 956 N TYR A 60 4.994 9.721 -1.236 1.00 1.00 N ATOM 957 CA TYR A 60 4.872 9.617 -2.680 1.00 1.00 C ATOM 958 C TYR A 60 4.036 10.789 -3.191 1.00 1.00 C ATOM 959 O TYR A 60 4.603 11.865 -3.377 1.00 1.00 O ATOM 960 CB TYR A 60 4.341 8.239 -3.091 1.00 1.00 C ATOM 961 CG TYR A 60 5.265 7.069 -2.783 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.446 6.896 -3.519 1.00 1.00 C ATOM 963 CD2 TYR A 60 4.944 6.140 -1.779 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.312 5.826 -3.232 1.00 1.00 C ATOM 965 CE2 TYR A 60 5.795 5.057 -1.487 1.00 1.00 C ATOM 966 CZ TYR A 60 7.001 4.911 -2.206 1.00 1.00 C ATOM 967 OH TYR A 60 7.890 3.928 -1.887 1.00 1.00 O ATOM 0 H TYR A 60 4.096 9.761 -0.755 1.00 1.00 H new ATOM 0 HA TYR A 60 5.851 9.690 -3.153 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.388 8.070 -2.589 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.140 8.250 -4.162 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.692 7.588 -4.311 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.027 6.259 -1.221 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.222 5.704 -3.802 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.528 4.345 -0.720 1.00 1.00 H new ATOM 0 HH TYR A 60 8.795 4.302 -1.860 1.00 1.00 H new ATOM 977 N LEU A 61 2.727 10.617 -3.401 1.00 1.00 N ATOM 978 CA LEU A 61 1.742 11.614 -3.813 1.00 1.00 C ATOM 979 C LEU A 61 0.355 11.100 -3.432 1.00 1.00 C ATOM 980 O LEU A 61 0.138 9.901 -3.249 1.00 1.00 O ATOM 981 CB LEU A 61 1.694 11.869 -5.336 1.00 1.00 C ATOM 982 CG LEU A 61 2.682 12.792 -6.062 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.004 14.055 -5.262 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.917 12.062 -6.585 1.00 1.00 C ATOM 0 H LEU A 61 2.297 9.701 -3.276 1.00 1.00 H new ATOM 0 HA LEU A 61 2.030 12.542 -3.319 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.773 10.893 -5.815 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.697 12.251 -5.554 1.00 1.00 H new ATOM 0 HG LEU A 61 2.167 13.140 -6.958 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.707 14.671 -5.822 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.087 14.618 -5.087 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.447 13.777 -4.306 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.574 12.772 -7.087 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.449 11.603 -5.751 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.611 11.289 -7.290 1.00 1.00 H new ATOM 996 N GLU A 62 -0.608 12.014 -3.468 1.00 1.00 N ATOM 997 CA GLU A 62 -2.035 11.839 -3.266 1.00 1.00 C ATOM 998 C GLU A 62 -2.709 10.943 -4.314 1.00 1.00 C ATOM 999 O GLU A 62 -3.865 10.573 -4.118 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.689 13.227 -3.281 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.413 14.066 -2.015 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.119 14.898 -2.039 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.193 14.647 -2.848 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -1.013 15.850 -1.231 1.00 1.00 O ATOM 0 H GLU A 62 -0.383 12.990 -3.658 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.170 11.332 -2.311 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.332 13.776 -4.153 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.766 13.108 -3.398 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.255 14.740 -1.857 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.377 13.395 -1.157 1.00 1.00 H new ATOM 1011 N THR A 63 -2.043 10.604 -5.419 1.00 1.00 N ATOM 1012 CA THR A 63 -2.578 9.664 -6.409 1.00 1.00 C ATOM 1013 C THR A 63 -1.625 8.465 -6.529 1.00 1.00 C ATOM 1014 O THR A 63 -2.075 7.333 -6.338 1.00 1.00 O ATOM 1015 CB THR A 63 -2.884 10.347 -7.757 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.428 11.648 -7.570 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.954 9.552 -8.510 1.00 1.00 C ATOM 0 H THR A 63 -1.121 10.971 -5.654 1.00 1.00 H new ATOM 0 HA THR A 63 -3.544 9.291 -6.069 1.00 1.00 H new ATOM 0 HB THR A 63 -1.943 10.398 -8.305 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.610 12.055 -8.443 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.167 10.039 -9.462 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.594 8.540 -8.693 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.865 9.511 -7.912 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.313 8.699 -6.700 1.00 1.00 N ATOM 1026 CA TYR A 64 0.697 7.639 -6.785 1.00 1.00 C ATOM 1027 C TYR A 64 0.607 6.713 -5.574 1.00 1.00 C ATOM 1028 O TYR A 64 0.788 5.511 -5.719 1.00 1.00 O ATOM 1029 CB TYR A 64 2.114 8.240 -6.876 1.00 1.00 C ATOM 1030 CG TYR A 64 3.257 7.246 -7.062 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.713 6.460 -5.982 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.917 7.144 -8.302 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.811 5.600 -6.133 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.996 6.258 -8.470 1.00 1.00 C ATOM 1035 CZ TYR A 64 5.452 5.486 -7.381 1.00 1.00 C ATOM 1036 OH TYR A 64 6.484 4.613 -7.524 1.00 1.00 O ATOM 0 H TYR A 64 0.076 9.638 -6.783 1.00 1.00 H new ATOM 0 HA TYR A 64 0.501 7.062 -7.689 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.134 8.945 -7.707 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.302 8.813 -5.968 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.211 6.521 -5.028 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.591 7.753 -9.133 1.00 1.00 H new ATOM 0 HE1 TYR A 64 5.165 5.025 -5.290 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.476 6.169 -9.433 1.00 1.00 H new ATOM 0 HH TYR A 64 6.819 4.651 -8.444 1.00 1.00 H new ATOM 1046 N GLY A 65 0.310 7.243 -4.385 1.00 1.00 N ATOM 1047 CA GLY A 65 0.151 6.449 -3.181 1.00 1.00 C ATOM 1048 C GLY A 65 -0.925 5.376 -3.341 1.00 1.00 C ATOM 1049 O GLY A 65 -0.678 4.201 -3.059 1.00 1.00 O ATOM 0 H GLY A 65 0.174 8.243 -4.238 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.101 5.976 -2.931 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.109 7.102 -2.348 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.123 5.755 -3.791 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.213 4.802 -3.976 1.00 1.00 C ATOM 1055 C ALA A 66 -2.901 3.847 -5.120 1.00 1.00 C ATOM 1056 O ALA A 66 -3.177 2.652 -5.013 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.518 5.537 -4.255 1.00 1.00 C ATOM 0 H ALA A 66 -2.360 6.717 -4.034 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.321 4.225 -3.058 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.321 4.813 -4.391 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.755 6.189 -3.414 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.412 6.136 -5.160 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.304 4.372 -6.190 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.887 3.598 -7.347 1.00 1.00 C ATOM 1065 C GLU A 67 -0.928 2.496 -6.887 1.00 1.00 C ATOM 1066 O GLU A 67 -1.164 1.328 -7.187 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.268 4.516 -8.413 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.148 3.776 -9.752 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.329 4.527 -10.804 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -0.281 5.778 -10.804 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.261 3.855 -11.683 1.00 1.00 O ATOM 0 H GLU A 67 -2.095 5.367 -6.273 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.748 3.121 -7.815 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.884 5.407 -8.537 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.284 4.851 -8.086 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.691 2.802 -9.578 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.148 3.594 -10.146 1.00 1.00 H new ATOM 1078 N LEU A 68 0.116 2.856 -6.130 1.00 1.00 N ATOM 1079 CA LEU A 68 1.080 1.956 -5.505 1.00 1.00 C ATOM 1080 C LEU A 68 0.328 0.936 -4.671 1.00 1.00 C ATOM 1081 O LEU A 68 0.550 -0.257 -4.841 1.00 1.00 O ATOM 1082 CB LEU A 68 2.097 2.749 -4.655 1.00 1.00 C ATOM 1083 CG LEU A 68 3.079 1.871 -3.846 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.239 2.724 -3.323 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.449 1.189 -2.625 1.00 1.00 C ATOM 0 H LEU A 68 0.317 3.836 -5.929 1.00 1.00 H new ATOM 0 HA LEU A 68 1.649 1.433 -6.273 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.671 3.402 -5.313 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.551 3.392 -3.965 1.00 1.00 H new ATOM 0 HG LEU A 68 3.407 1.099 -4.543 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.925 2.096 -2.754 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.769 3.172 -4.164 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.849 3.512 -2.678 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.203 0.592 -2.112 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.062 1.947 -1.944 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.634 0.542 -2.950 1.00 1.00 H new ATOM 1097 N THR A 69 -0.526 1.388 -3.759 1.00 1.00 N ATOM 1098 CA THR A 69 -1.224 0.512 -2.832 1.00 1.00 C ATOM 1099 C THR A 69 -1.963 -0.567 -3.636 1.00 1.00 C ATOM 1100 O THR A 69 -1.689 -1.747 -3.437 1.00 1.00 O ATOM 1101 CB THR A 69 -2.096 1.355 -1.886 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.282 2.299 -1.228 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.798 0.555 -0.788 1.00 1.00 C ATOM 0 H THR A 69 -0.753 2.376 -3.644 1.00 1.00 H new ATOM 0 HA THR A 69 -0.541 -0.026 -2.175 1.00 1.00 H new ATOM 0 HB THR A 69 -2.860 1.803 -2.521 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.166 3.086 -1.800 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.390 1.229 -0.169 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.452 -0.189 -1.242 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.053 0.055 -0.170 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.802 -0.195 -4.608 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.514 -1.154 -5.447 1.00 1.00 C ATOM 1113 C ALA A 70 -2.547 -2.016 -6.279 1.00 1.00 C ATOM 1114 O ALA A 70 -2.822 -3.195 -6.483 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.451 -0.384 -6.391 1.00 1.00 C ATOM 0 H ALA A 70 -3.004 0.779 -4.832 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.080 -1.823 -4.799 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.990 -1.089 -7.024 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.164 0.194 -5.804 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.865 0.290 -7.016 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.428 -1.457 -6.759 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.414 -2.153 -7.559 1.00 1.00 C ATOM 1123 C ASN A 71 0.170 -3.313 -6.776 1.00 1.00 C ATOM 1124 O ASN A 71 0.091 -4.464 -7.198 1.00 1.00 O ATOM 1125 CB ASN A 71 0.739 -1.213 -7.941 1.00 1.00 C ATOM 1126 CG ASN A 71 1.781 -1.908 -8.806 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.763 -2.454 -8.304 1.00 1.00 O ATOM 1128 ND2 ASN A 71 1.605 -1.902 -10.110 1.00 1.00 N ATOM 0 H ASN A 71 -1.197 -0.477 -6.595 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.908 -2.510 -8.462 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.341 -0.351 -8.476 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.214 -0.835 -7.035 1.00 1.00 H new ATOM 0 HD21 ASN A 71 2.287 -2.354 -10.719 1.00 1.00 H new ATOM 0 HD22 ASN A 71 0.786 -1.446 -10.512 1.00 1.00 H new ATOM 1135 N VAL A 72 0.773 -2.976 -5.643 1.00 1.00 N ATOM 1136 CA VAL A 72 1.420 -3.908 -4.731 1.00 1.00 C ATOM 1137 C VAL A 72 0.378 -4.909 -4.203 1.00 1.00 C ATOM 1138 O VAL A 72 0.669 -6.098 -4.089 1.00 1.00 O ATOM 1139 CB VAL A 72 2.136 -3.128 -3.607 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.880 -4.088 -2.667 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.163 -2.094 -4.120 1.00 1.00 C ATOM 0 H VAL A 72 0.826 -2.009 -5.323 1.00 1.00 H new ATOM 0 HA VAL A 72 2.187 -4.484 -5.249 1.00 1.00 H new ATOM 0 HB VAL A 72 1.341 -2.593 -3.087 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.377 -3.517 -1.883 1.00 1.00 H new ATOM 0 HG12 VAL A 72 2.169 -4.780 -2.216 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.623 -4.649 -3.234 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.624 -1.587 -3.272 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.933 -2.603 -4.700 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.658 -1.362 -4.750 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.852 -4.474 -3.925 1.00 1.00 N ATOM 1152 CA LEU A 73 -1.931 -5.370 -3.521 1.00 1.00 C ATOM 1153 C LEU A 73 -2.212 -6.383 -4.640 1.00 1.00 C ATOM 1154 O LEU A 73 -2.242 -7.591 -4.395 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.161 -4.536 -3.109 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.031 -3.920 -1.693 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.161 -2.912 -1.465 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.001 -4.914 -0.523 1.00 1.00 C ATOM 0 H LEU A 73 -1.126 -3.493 -3.974 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.645 -5.956 -2.647 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.310 -3.736 -3.834 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.049 -5.167 -3.144 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.049 -3.447 -1.689 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.068 -2.480 -0.469 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.098 -2.120 -2.211 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.123 -3.418 -1.553 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.908 -4.368 0.416 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -3.923 -5.495 -0.515 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.150 -5.586 -0.638 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.338 -5.933 -5.888 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.507 -6.833 -7.031 1.00 1.00 C ATOM 1172 C ARG A 74 -1.262 -7.685 -7.281 1.00 1.00 C ATOM 1173 O ARG A 74 -1.390 -8.767 -7.857 1.00 1.00 O ATOM 1174 CB ARG A 74 -3.018 -6.044 -8.250 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.702 -6.956 -9.283 1.00 1.00 C ATOM 1176 CD ARG A 74 -4.368 -6.154 -10.409 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.395 -5.749 -11.433 1.00 1.00 N ATOM 1178 CZ ARG A 74 -3.655 -5.059 -12.547 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -4.805 -4.416 -12.708 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -2.731 -5.019 -13.498 1.00 1.00 N ATOM 0 H ARG A 74 -2.326 -4.943 -6.135 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.279 -7.569 -6.805 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.722 -5.281 -7.918 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -2.183 -5.525 -8.721 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.965 -7.636 -9.710 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.451 -7.570 -8.784 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -5.153 -6.754 -10.869 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -4.848 -5.269 -9.991 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.425 -6.022 -11.278 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -5.511 -4.443 -11.973 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -4.982 -3.895 -13.567 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -1.845 -5.509 -13.370 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -2.906 -4.499 -14.358 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.078 -7.260 -6.837 1.00 1.00 N ATOM 1195 CA ASP A 75 1.163 -8.038 -6.908 1.00 1.00 C ATOM 1196 C ASP A 75 1.077 -9.185 -5.889 1.00 1.00 C ATOM 1197 O ASP A 75 1.563 -10.285 -6.147 1.00 1.00 O ATOM 1198 CB ASP A 75 2.385 -7.143 -6.678 1.00 1.00 C ATOM 1199 CG ASP A 75 3.703 -7.901 -6.793 1.00 1.00 C ATOM 1200 OD1 ASP A 75 4.285 -7.947 -7.900 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.212 -8.391 -5.765 1.00 1.00 O ATOM 0 H ASP A 75 0.049 -6.344 -6.408 1.00 1.00 H new ATOM 0 HA ASP A 75 1.284 -8.464 -7.904 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.375 -6.329 -7.403 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.317 -6.690 -5.689 1.00 1.00 H new ATOM 1206 N MET A 76 0.411 -8.967 -4.743 1.00 1.00 N ATOM 1207 CA MET A 76 0.156 -10.016 -3.750 1.00 1.00 C ATOM 1208 C MET A 76 -0.890 -11.006 -4.266 1.00 1.00 C ATOM 1209 O MET A 76 -0.859 -12.182 -3.894 1.00 1.00 O ATOM 1210 CB MET A 76 -0.355 -9.443 -2.416 1.00 1.00 C ATOM 1211 CG MET A 76 0.605 -8.498 -1.693 1.00 1.00 C ATOM 1212 SD MET A 76 -0.230 -7.411 -0.511 1.00 1.00 S ATOM 1213 CE MET A 76 -0.700 -8.571 0.801 1.00 1.00 C ATOM 0 H MET A 76 0.035 -8.056 -4.481 1.00 1.00 H new ATOM 0 HA MET A 76 1.110 -10.515 -3.583 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.288 -8.911 -2.603 1.00 1.00 H new ATOM 0 HB3 MET A 76 -0.589 -10.274 -1.750 1.00 1.00 H new ATOM 0 HG2 MET A 76 1.358 -9.086 -1.168 1.00 1.00 H new ATOM 0 HG3 MET A 76 1.131 -7.890 -2.429 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.515 -8.146 1.387 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.025 -9.511 0.356 1.00 1.00 H new ATOM 0 HE3 MET A 76 0.157 -8.753 1.449 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.812 -10.527 -5.098 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.868 -11.299 -5.749 1.00 1.00 C ATOM 1225 C GLY A 77 -4.270 -10.692 -5.621 1.00 1.00 C ATOM 1226 O GLY A 77 -5.211 -11.174 -6.257 1.00 1.00 O ATOM 0 H GLY A 77 -1.844 -9.539 -5.349 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.626 -11.402 -6.807 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.880 -12.303 -5.325 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.425 -9.667 -4.785 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.665 -8.995 -4.422 1.00 1.00 C ATOM 1232 C LEU A 78 -6.142 -8.111 -5.566 1.00 1.00 C ATOM 1233 O LEU A 78 -5.402 -7.255 -6.043 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.393 -8.200 -3.141 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.535 -7.320 -2.607 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.088 -6.785 -1.252 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.824 -6.099 -3.489 1.00 1.00 C ATOM 0 H LEU A 78 -3.623 -9.255 -4.309 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.467 -9.710 -4.238 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.115 -8.905 -2.358 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.527 -7.561 -3.317 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.437 -7.931 -2.572 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.871 -6.152 -0.834 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.896 -7.619 -0.577 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.176 -6.200 -1.374 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.640 -5.522 -3.055 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.932 -5.476 -3.551 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.106 -6.431 -4.488 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.384 -8.285 -5.999 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.976 -7.500 -7.076 1.00 1.00 C ATOM 1251 C GLN A 79 -9.243 -6.742 -6.662 1.00 1.00 C ATOM 1252 O GLN A 79 -9.442 -5.634 -7.173 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.172 -8.370 -8.325 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.724 -9.775 -8.056 1.00 1.00 C ATOM 1255 CD GLN A 79 -8.962 -10.518 -9.363 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -8.046 -10.723 -10.160 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.187 -10.933 -9.617 1.00 1.00 N ATOM 0 H GLN A 79 -8.016 -8.983 -5.608 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.268 -6.711 -7.328 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.849 -7.854 -9.006 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.215 -8.464 -8.838 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.023 -10.334 -7.436 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.657 -9.704 -7.497 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.935 -10.755 -8.947 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -10.387 -11.432 -10.484 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.082 -7.253 -5.749 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.342 -6.572 -5.415 1.00 1.00 C ATOM 1268 C GLU A 80 -11.091 -5.214 -4.733 1.00 1.00 C ATOM 1269 O GLU A 80 -11.520 -4.180 -5.254 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.365 -7.485 -4.708 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.907 -8.337 -3.514 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.437 -7.533 -2.310 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.217 -6.697 -1.803 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.249 -7.673 -1.932 1.00 1.00 O ATOM 0 H GLU A 80 -9.916 -8.119 -5.237 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.839 -6.331 -6.355 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.186 -6.855 -4.366 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.774 -8.163 -5.458 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -12.731 -8.981 -3.206 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.096 -8.989 -3.839 1.00 1.00 H new ATOM 1281 N MET A 81 -10.331 -5.187 -3.635 1.00 1.00 N ATOM 1282 CA MET A 81 -9.919 -3.976 -2.937 1.00 1.00 C ATOM 1283 C MET A 81 -9.066 -3.119 -3.859 1.00 1.00 C ATOM 1284 O MET A 81 -9.285 -1.925 -3.858 1.00 1.00 O ATOM 1285 CB MET A 81 -9.290 -4.359 -1.593 1.00 1.00 C ATOM 1286 CG MET A 81 -8.394 -3.282 -0.979 1.00 1.00 C ATOM 1287 SD MET A 81 -7.529 -3.811 0.523 1.00 1.00 S ATOM 1288 CE MET A 81 -8.907 -4.243 1.620 1.00 1.00 C ATOM 0 H MET A 81 -9.976 -6.037 -3.197 1.00 1.00 H new ATOM 0 HA MET A 81 -10.766 -3.340 -2.681 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.087 -4.595 -0.888 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.703 -5.268 -1.727 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.657 -2.971 -1.720 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.002 -2.407 -0.747 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.551 -4.291 2.649 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.687 -3.486 1.540 1.00 1.00 H new ATOM 0 HE3 MET A 81 -9.312 -5.213 1.331 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.188 -3.659 -4.708 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.425 -2.853 -5.662 1.00 1.00 C ATOM 1300 C ALA A 82 -8.366 -2.026 -6.552 1.00 1.00 C ATOM 1301 O ALA A 82 -8.127 -0.836 -6.760 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.498 -3.747 -6.497 1.00 1.00 C ATOM 0 H ALA A 82 -7.988 -4.658 -4.753 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.801 -2.152 -5.107 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.938 -3.132 -7.202 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.804 -4.268 -5.838 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.094 -4.477 -7.046 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.453 -2.641 -7.030 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.472 -1.965 -7.817 1.00 1.00 C ATOM 1310 C GLY A 83 -11.190 -0.885 -7.010 1.00 1.00 C ATOM 1311 O GLY A 83 -11.262 0.255 -7.471 1.00 1.00 O ATOM 0 H GLY A 83 -9.645 -3.631 -6.876 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.012 -1.515 -8.697 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.199 -2.695 -8.174 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.705 -1.227 -5.821 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.348 -0.280 -4.905 1.00 1.00 C ATOM 1317 C GLN A 84 -11.451 0.908 -4.583 1.00 1.00 C ATOM 1318 O GLN A 84 -11.882 2.050 -4.634 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.730 -0.977 -3.588 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.041 -1.766 -3.641 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.234 -0.810 -3.540 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.359 -0.053 -2.579 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.102 -0.781 -4.533 1.00 1.00 N ATOM 0 H GLN A 84 -11.685 -2.183 -5.465 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.241 0.086 -5.412 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -11.925 -1.655 -3.304 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -12.805 -0.225 -2.803 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.096 -2.333 -4.571 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.073 -2.488 -2.825 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -15.991 -1.412 -5.326 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.884 -0.127 -4.508 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.208 0.624 -4.234 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.180 1.535 -3.786 1.00 1.00 C ATOM 1334 C LEU A 85 -8.897 2.583 -4.852 1.00 1.00 C ATOM 1335 O LEU A 85 -8.971 3.793 -4.596 1.00 1.00 O ATOM 1336 CB LEU A 85 -7.961 0.648 -3.498 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.717 1.347 -2.980 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.010 1.881 -1.596 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.604 0.315 -2.826 1.00 1.00 C ATOM 0 H LEU A 85 -9.867 -0.337 -4.261 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.470 2.096 -2.898 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.255 -0.108 -2.770 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.699 0.122 -4.416 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.429 2.144 -3.666 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.127 2.387 -1.207 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -7.840 2.586 -1.646 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.275 1.055 -0.936 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.703 0.804 -2.454 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.917 -0.455 -2.120 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.396 -0.142 -3.793 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.563 2.112 -6.055 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.226 3.008 -7.140 1.00 1.00 C ATOM 1353 C GLN A 86 -9.469 3.802 -7.553 1.00 1.00 C ATOM 1354 O GLN A 86 -9.347 5.008 -7.740 1.00 1.00 O ATOM 1355 CB GLN A 86 -7.563 2.226 -8.283 1.00 1.00 C ATOM 1356 CG GLN A 86 -6.747 3.170 -9.184 1.00 1.00 C ATOM 1357 CD GLN A 86 -5.780 2.429 -10.110 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -5.021 1.551 -9.699 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -5.727 2.809 -11.375 1.00 1.00 N ATOM 0 H GLN A 86 -8.521 1.121 -6.292 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.487 3.744 -6.821 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -6.912 1.454 -7.873 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -8.326 1.719 -8.874 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -7.430 3.769 -9.786 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -6.183 3.862 -8.559 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -6.356 3.536 -11.716 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -5.057 2.375 -12.010 1.00 1.00 H new ATOM 1368 N ALA A 87 -10.656 3.178 -7.594 1.00 1.00 N ATOM 1369 CA ALA A 87 -11.915 3.859 -7.893 1.00 1.00 C ATOM 1370 C ALA A 87 -12.239 4.940 -6.871 1.00 1.00 C ATOM 1371 O ALA A 87 -12.548 6.069 -7.235 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.065 2.860 -7.967 1.00 1.00 C ATOM 0 H ALA A 87 -10.765 2.179 -7.419 1.00 1.00 H new ATOM 0 HA ALA A 87 -11.791 4.341 -8.863 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -13.992 3.388 -8.190 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -12.864 2.131 -8.752 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.162 2.345 -7.011 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.169 4.623 -5.582 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.411 5.586 -4.526 1.00 1.00 C ATOM 1380 C ALA A 88 -11.468 6.776 -4.688 1.00 1.00 C ATOM 1381 O ALA A 88 -11.892 7.922 -4.522 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.252 4.909 -3.166 1.00 1.00 C ATOM 0 H ALA A 88 -11.942 3.687 -5.245 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.432 5.963 -4.590 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.435 5.636 -2.374 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.968 4.092 -3.081 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.240 4.516 -3.071 1.00 1.00 H new ATOM 1388 N THR A 89 -10.216 6.520 -5.072 1.00 1.00 N ATOM 1389 CA THR A 89 -9.256 7.578 -5.334 1.00 1.00 C ATOM 1390 C THR A 89 -9.569 8.395 -6.592 1.00 1.00 C ATOM 1391 O THR A 89 -9.425 9.624 -6.582 1.00 1.00 O ATOM 1392 CB THR A 89 -7.839 6.985 -5.378 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.608 6.212 -4.216 1.00 1.00 O ATOM 1394 CG2 THR A 89 -6.803 8.115 -5.446 1.00 1.00 C ATOM 0 H THR A 89 -9.847 5.579 -5.208 1.00 1.00 H new ATOM 0 HA THR A 89 -9.326 8.291 -4.513 1.00 1.00 H new ATOM 0 HB THR A 89 -7.747 6.353 -6.262 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.081 5.357 -4.292 1.00 1.00 H new ATOM 0 HG21 THR A 89 -5.801 7.688 -5.477 1.00 1.00 H new ATOM 0 HG22 THR A 89 -6.972 8.710 -6.344 1.00 1.00 H new ATOM 0 HG23 THR A 89 -6.900 8.751 -4.566 1.00 1.00 H new ATOM 1402 N HIS A 90 -9.970 7.719 -7.657 1.00 1.00 N ATOM 1403 CA HIS A 90 -10.233 8.191 -9.004 1.00 1.00 C ATOM 1404 C HIS A 90 -11.273 7.272 -9.659 1.00 1.00 C ATOM 1405 O HIS A 90 -10.924 6.180 -10.116 1.00 1.00 O ATOM 1406 CB HIS A 90 -8.909 8.169 -9.786 1.00 1.00 C ATOM 1407 CG HIS A 90 -9.064 8.484 -11.251 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -9.074 9.739 -11.807 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -9.225 7.577 -12.264 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -9.231 9.600 -13.131 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -9.325 8.300 -13.459 1.00 1.00 N ATOM 0 H HIS A 90 -10.137 6.715 -7.588 1.00 1.00 H new ATOM 0 HA HIS A 90 -10.628 9.207 -8.996 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -8.222 8.888 -9.340 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -8.452 7.185 -9.682 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -9.267 6.503 -12.161 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -9.276 10.418 -13.835 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -9.446 7.915 -14.396 1.00 1.00 H new ATOM 1419 N GLN A 91 -12.541 7.696 -9.697 1.00 1.00 N ATOM 1420 CA GLN A 91 -13.631 6.867 -10.192 1.00 1.00 C ATOM 1421 C GLN A 91 -13.869 7.161 -11.662 1.00 1.00 C ATOM 1422 O GLN A 91 -13.131 6.637 -12.517 1.00 1.00 O ATOM 1423 CB GLN A 91 -14.875 7.054 -9.297 1.00 1.00 C ATOM 1424 CG GLN A 91 -15.878 5.894 -9.428 1.00 1.00 C ATOM 1425 CD GLN A 91 -17.202 6.343 -10.035 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.227 6.416 -9.360 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -17.215 6.704 -11.305 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.821 7.900 -11.994 1.00 1.00 O ATOM 0 H GLN A 91 -12.834 8.622 -9.385 1.00 1.00 H new ATOM 0 HA GLN A 91 -13.375 5.809 -10.134 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.560 7.141 -8.257 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.370 7.989 -9.560 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -15.444 5.109 -10.047 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.060 5.460 -8.445 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -16.362 6.642 -11.862 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -18.078 7.045 -11.729 1.00 1.00 H new TER 1437 GLN A 91