USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -6.19! C(o=-6.9!,f=-6.2!) USER MOD Single : A 10 HIS : no HD1:sc= -0.0055 X(o=-0.0055,f=-0.31) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.3 K(o=0.3,f=-0.95) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.52) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 28 THR OG1 : rot 160:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.335 K(o=-0.33,f=-3.6!) USER MOD Single : A 30 CYS SG : rot 180:sc=-0.000909 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.66 F(o=-1.3,f=-0.66) USER MOD Single : A 37 LYS NZ :NH3+ 156:sc=-0.00904 (180deg=-0.333) USER MOD Single : A 38 ASN : amide:sc= -0.787 X(o=-0.79,f=-1.2) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 92:sc= -2.62 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 55 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.34) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.1!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= -1.23 (180deg=-3.36!) USER MOD Single : A 74 SER OG : rot 110:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 83 GLN : amide:sc=-0.000169 X(o=-0.00017,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 27:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.509 2.062 19.939 1.00 0.00 N ATOM 2 CA GLY A 1 1.293 2.153 20.792 1.00 0.00 C ATOM 3 C GLY A 1 0.012 2.126 19.982 1.00 0.00 C ATOM 4 O GLY A 1 -0.118 2.842 18.988 1.00 0.00 O ATOM 0 H1 GLY A 1 3.357 2.085 20.540 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.490 1.172 19.401 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.531 2.865 19.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.288 1.325 21.501 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.331 3.073 21.376 1.00 0.00 H new ATOM 10 N SER A 2 -0.937 1.297 20.406 1.00 0.00 N ATOM 11 CA SER A 2 -2.214 1.179 19.712 1.00 0.00 C ATOM 12 C SER A 2 -2.991 2.490 19.776 1.00 0.00 C ATOM 13 O SER A 2 -2.897 3.233 20.753 1.00 0.00 O ATOM 14 CB SER A 2 -3.046 0.049 20.321 1.00 0.00 C ATOM 15 OG SER A 2 -3.523 0.404 21.608 1.00 0.00 O ATOM 0 H SER A 2 -0.846 0.698 21.226 1.00 0.00 H new ATOM 0 HA SER A 2 -2.011 0.949 18.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.888 -0.180 19.668 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.442 -0.855 20.390 1.00 0.00 H new ATOM 0 HG SER A 2 -4.053 -0.334 21.975 1.00 0.00 H new ATOM 21 N SER A 3 -3.761 2.767 18.729 1.00 0.00 N ATOM 22 CA SER A 3 -4.555 3.989 18.666 1.00 0.00 C ATOM 23 C SER A 3 -5.908 3.724 18.014 1.00 0.00 C ATOM 24 O SER A 3 -6.025 2.883 17.122 1.00 0.00 O ATOM 25 CB SER A 3 -3.804 5.070 17.888 1.00 0.00 C ATOM 26 OG SER A 3 -2.748 5.614 18.661 1.00 0.00 O ATOM 0 H SER A 3 -3.852 2.162 17.913 1.00 0.00 H new ATOM 0 HA SER A 3 -4.724 4.336 19.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.404 4.647 16.966 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.495 5.863 17.602 1.00 0.00 H new ATOM 0 HG SER A 3 -2.282 6.302 18.141 1.00 0.00 H new ATOM 32 N GLY A 4 -6.928 4.448 18.464 1.00 0.00 N ATOM 33 CA GLY A 4 -8.259 4.277 17.913 1.00 0.00 C ATOM 34 C GLY A 4 -8.579 5.300 16.842 1.00 0.00 C ATOM 35 O GLY A 4 -8.579 4.984 15.652 1.00 0.00 O ATOM 0 H GLY A 4 -6.856 5.150 19.200 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.349 3.275 17.493 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.993 4.353 18.715 1.00 0.00 H new ATOM 39 N SER A 5 -8.855 6.530 17.264 1.00 0.00 N ATOM 40 CA SER A 5 -9.179 7.604 16.332 1.00 0.00 C ATOM 41 C SER A 5 -8.145 8.722 16.410 1.00 0.00 C ATOM 42 O SER A 5 -7.700 9.097 17.496 1.00 0.00 O ATOM 43 CB SER A 5 -10.573 8.161 16.629 1.00 0.00 C ATOM 44 OG SER A 5 -11.028 8.985 15.570 1.00 0.00 O ATOM 0 H SER A 5 -8.861 6.808 18.245 1.00 0.00 H new ATOM 0 HA SER A 5 -9.167 7.192 15.323 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.272 7.339 16.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.549 8.734 17.556 1.00 0.00 H new ATOM 0 HG SER A 5 -11.921 9.327 15.783 1.00 0.00 H new ATOM 50 N SER A 6 -7.765 9.252 15.251 1.00 0.00 N ATOM 51 CA SER A 6 -6.783 10.328 15.188 1.00 0.00 C ATOM 52 C SER A 6 -7.221 11.408 14.205 1.00 0.00 C ATOM 53 O SER A 6 -7.170 12.600 14.512 1.00 0.00 O ATOM 54 CB SER A 6 -5.416 9.775 14.779 1.00 0.00 C ATOM 55 OG SER A 6 -4.842 9.009 15.825 1.00 0.00 O ATOM 0 H SER A 6 -8.122 8.954 14.343 1.00 0.00 H new ATOM 0 HA SER A 6 -6.706 10.774 16.180 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.522 9.157 13.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.750 10.598 14.519 1.00 0.00 H new ATOM 0 HG SER A 6 -3.970 8.665 15.538 1.00 0.00 H new ATOM 61 N GLY A 7 -7.651 10.985 13.021 1.00 0.00 N ATOM 62 CA GLY A 7 -8.092 11.928 12.010 1.00 0.00 C ATOM 63 C GLY A 7 -7.388 11.723 10.682 1.00 0.00 C ATOM 64 O GLY A 7 -6.582 12.555 10.264 1.00 0.00 O ATOM 0 H GLY A 7 -7.702 10.005 12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.168 11.827 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.911 12.944 12.361 1.00 0.00 H new ATOM 68 N HIS A 8 -7.690 10.611 10.020 1.00 0.00 N ATOM 69 CA HIS A 8 -7.081 10.296 8.734 1.00 0.00 C ATOM 70 C HIS A 8 -8.013 9.431 7.887 1.00 0.00 C ATOM 71 O HIS A 8 -8.150 8.232 8.133 1.00 0.00 O ATOM 72 CB HIS A 8 -5.750 9.573 8.944 1.00 0.00 C ATOM 73 CG HIS A 8 -4.721 10.406 9.645 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.189 11.608 9.305 1.00 0.00 N flip ATOM 75 CD2 HIS A 8 -4.117 10.043 10.827 1.00 0.00 C flip ATOM 76 CE1 HIS A 8 -3.262 11.986 10.272 1.00 0.00 C flip ATOM 77 NE2 HIS A 8 -3.257 11.015 11.164 1.00 0.00 N flip ATOM 0 H HIS A 8 -8.354 9.912 10.354 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.902 11.232 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.926 8.665 9.521 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.357 9.264 7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.303 9.137 11.384 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.669 12.889 10.288 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.675 11.005 12.001 1.00 0.00 H new ATOM 85 N PRO A 9 -8.671 10.025 6.874 1.00 0.00 N ATOM 86 CA PRO A 9 -9.593 9.292 5.998 1.00 0.00 C ATOM 87 C PRO A 9 -8.875 8.269 5.121 1.00 0.00 C ATOM 88 O PRO A 9 -9.500 7.352 4.587 1.00 0.00 O ATOM 89 CB PRO A 9 -10.218 10.391 5.134 1.00 0.00 C ATOM 90 CG PRO A 9 -9.226 11.502 5.152 1.00 0.00 C ATOM 91 CD PRO A 9 -8.572 11.449 6.504 1.00 0.00 C ATOM 0 HA PRO A 9 -10.321 8.715 6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.400 10.040 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.179 10.712 5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.490 11.381 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.714 12.464 4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.535 11.783 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.084 12.088 7.224 1.00 0.00 H new ATOM 99 N HIS A 10 -7.564 8.431 4.975 1.00 0.00 N ATOM 100 CA HIS A 10 -6.769 7.518 4.160 1.00 0.00 C ATOM 101 C HIS A 10 -6.062 6.481 5.030 1.00 0.00 C ATOM 102 O HIS A 10 -5.988 5.305 4.674 1.00 0.00 O ATOM 103 CB HIS A 10 -5.742 8.298 3.340 1.00 0.00 C ATOM 104 CG HIS A 10 -6.355 9.194 2.309 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.699 10.508 2.541 1.00 0.00 N ATOM 106 CD2 HIS A 10 -6.685 8.943 1.017 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.217 11.003 1.408 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.231 10.093 0.453 1.00 0.00 N ATOM 0 H HIS A 10 -7.030 9.184 5.409 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.444 6.995 3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.131 8.898 4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.073 7.594 2.846 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.546 8.001 0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.576 12.015 1.292 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.572 10.208 -0.502 1.00 0.00 H new ATOM 116 N ILE A 11 -5.544 6.926 6.170 1.00 0.00 N ATOM 117 CA ILE A 11 -4.842 6.036 7.088 1.00 0.00 C ATOM 118 C ILE A 11 -5.816 5.121 7.823 1.00 0.00 C ATOM 119 O ILE A 11 -5.541 3.937 8.019 1.00 0.00 O ATOM 120 CB ILE A 11 -4.020 6.829 8.122 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.174 7.896 7.425 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.138 5.890 8.930 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.345 8.728 8.379 1.00 0.00 C ATOM 0 H ILE A 11 -5.597 7.896 6.480 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.166 5.431 6.484 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.708 7.328 8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.511 7.412 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.831 8.555 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.564 6.465 9.656 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.762 5.165 9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.456 5.366 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.771 9.464 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.003 9.241 9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.663 8.080 8.929 1.00 0.00 H new ATOM 135 N GLN A 12 -6.954 5.676 8.228 1.00 0.00 N ATOM 136 CA GLN A 12 -7.967 4.907 8.943 1.00 0.00 C ATOM 137 C GLN A 12 -8.451 3.729 8.102 1.00 0.00 C ATOM 138 O GLN A 12 -8.814 2.681 8.635 1.00 0.00 O ATOM 139 CB GLN A 12 -9.150 5.803 9.315 1.00 0.00 C ATOM 140 CG GLN A 12 -8.869 6.724 10.493 1.00 0.00 C ATOM 141 CD GLN A 12 -9.821 6.498 11.651 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.667 7.342 11.949 1.00 0.00 O ATOM 143 NE2 GLN A 12 -9.687 5.354 12.313 1.00 0.00 N ATOM 0 H GLN A 12 -7.198 6.654 8.074 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.514 4.517 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.424 6.407 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.010 5.176 9.552 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.845 6.569 10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.942 7.761 10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.972 4.683 12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.299 5.147 13.102 1.00 0.00 H new ATOM 152 N LEU A 13 -8.453 3.910 6.785 1.00 0.00 N ATOM 153 CA LEU A 13 -8.892 2.863 5.871 1.00 0.00 C ATOM 154 C LEU A 13 -8.030 1.614 6.019 1.00 0.00 C ATOM 155 O LEU A 13 -8.500 0.495 5.817 1.00 0.00 O ATOM 156 CB LEU A 13 -8.837 3.364 4.426 1.00 0.00 C ATOM 157 CG LEU A 13 -9.940 4.350 4.040 1.00 0.00 C ATOM 158 CD1 LEU A 13 -9.668 4.942 2.665 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.300 3.669 4.070 1.00 0.00 C ATOM 0 H LEU A 13 -8.156 4.772 6.328 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.921 2.605 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.871 3.840 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.889 2.505 3.757 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.947 5.161 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.463 5.641 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.713 5.467 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.633 4.142 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.072 4.386 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.306 2.838 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.497 3.294 5.074 1.00 0.00 H new ATOM 171 N LEU A 14 -6.764 1.813 6.373 1.00 0.00 N ATOM 172 CA LEU A 14 -5.835 0.702 6.547 1.00 0.00 C ATOM 173 C LEU A 14 -6.010 0.055 7.917 1.00 0.00 C ATOM 174 O LEU A 14 -6.086 -1.169 8.031 1.00 0.00 O ATOM 175 CB LEU A 14 -4.393 1.185 6.378 1.00 0.00 C ATOM 176 CG LEU A 14 -4.099 1.894 5.055 1.00 0.00 C ATOM 177 CD1 LEU A 14 -2.788 2.660 5.140 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.059 0.891 3.912 1.00 0.00 C ATOM 0 H LEU A 14 -6.358 2.733 6.545 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.053 -0.044 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.155 1.864 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.726 0.328 6.470 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.900 2.607 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.595 3.158 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.852 3.405 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.975 1.967 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.849 1.412 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.277 0.155 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.022 0.386 3.837 1.00 0.00 H new ATOM 190 N LYS A 15 -6.074 0.884 8.953 1.00 0.00 N ATOM 191 CA LYS A 15 -6.240 0.391 10.315 1.00 0.00 C ATOM 192 C LYS A 15 -7.585 -0.308 10.481 1.00 0.00 C ATOM 193 O LYS A 15 -7.653 -1.443 10.953 1.00 0.00 O ATOM 194 CB LYS A 15 -6.126 1.544 11.315 1.00 0.00 C ATOM 195 CG LYS A 15 -4.796 2.277 11.251 1.00 0.00 C ATOM 196 CD LYS A 15 -4.540 3.077 12.518 1.00 0.00 C ATOM 197 CE LYS A 15 -3.744 4.339 12.229 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.679 5.239 13.413 1.00 0.00 N ATOM 0 H LYS A 15 -6.014 1.899 8.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.448 -0.332 10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.932 2.254 11.131 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.268 1.155 12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.990 1.558 11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.788 2.945 10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.491 3.343 12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.999 2.461 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.733 4.068 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.198 4.871 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.128 6.088 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.642 5.518 13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.222 4.741 14.203 1.00 0.00 H new ATOM 212 N SER A 16 -8.655 0.377 10.088 1.00 0.00 N ATOM 213 CA SER A 16 -9.999 -0.176 10.193 1.00 0.00 C ATOM 214 C SER A 16 -10.150 -1.416 9.317 1.00 0.00 C ATOM 215 O SER A 16 -10.563 -2.475 9.789 1.00 0.00 O ATOM 216 CB SER A 16 -11.038 0.873 9.795 1.00 0.00 C ATOM 217 OG SER A 16 -12.191 0.788 10.614 1.00 0.00 O ATOM 0 H SER A 16 -8.616 1.317 9.694 1.00 0.00 H new ATOM 0 HA SER A 16 -10.164 -0.465 11.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.603 1.869 9.877 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.319 0.733 8.751 1.00 0.00 H new ATOM 0 HG SER A 16 -12.838 1.471 10.339 1.00 0.00 H new ATOM 223 N ASN A 17 -9.814 -1.276 8.039 1.00 0.00 N ATOM 224 CA ASN A 17 -9.914 -2.385 7.097 1.00 0.00 C ATOM 225 C ASN A 17 -8.576 -3.103 6.955 1.00 0.00 C ATOM 226 O ASN A 17 -8.151 -3.436 5.848 1.00 0.00 O ATOM 227 CB ASN A 17 -10.384 -1.881 5.729 1.00 0.00 C ATOM 228 CG ASN A 17 -11.538 -0.903 5.836 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.691 -1.301 5.996 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.231 0.386 5.747 1.00 0.00 N ATOM 0 H ASN A 17 -9.470 -0.406 7.632 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.645 -3.093 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.551 -1.400 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.687 -2.730 5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.965 1.091 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.261 0.671 5.614 1.00 0.00 H new ATOM 237 N ARG A 18 -7.915 -3.341 8.084 1.00 0.00 N ATOM 238 CA ARG A 18 -6.625 -4.021 8.084 1.00 0.00 C ATOM 239 C ARG A 18 -6.801 -5.522 7.877 1.00 0.00 C ATOM 240 O ARG A 18 -6.289 -6.090 6.912 1.00 0.00 O ATOM 241 CB ARG A 18 -5.886 -3.759 9.398 1.00 0.00 C ATOM 242 CG ARG A 18 -4.372 -3.781 9.258 1.00 0.00 C ATOM 243 CD ARG A 18 -3.687 -3.760 10.614 1.00 0.00 C ATOM 244 NE ARG A 18 -4.064 -2.588 11.401 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.362 -2.132 12.437 1.00 0.00 C ATOM 246 NH1 ARG A 18 -2.250 -2.748 12.816 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.775 -1.058 13.094 1.00 0.00 N ATOM 0 H ARG A 18 -8.251 -3.073 9.009 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.034 -3.625 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.192 -2.790 9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.186 -4.509 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.069 -4.673 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.047 -2.921 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.946 -4.665 11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.606 -3.770 10.474 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.915 -2.090 11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.929 -3.575 12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.716 -2.394 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.630 -0.581 12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.238 -0.708 13.888 1.00 0.00 H new ATOM 261 N GLU A 19 -7.528 -6.158 8.790 1.00 0.00 N ATOM 262 CA GLU A 19 -7.771 -7.594 8.707 1.00 0.00 C ATOM 263 C GLU A 19 -8.531 -7.946 7.432 1.00 0.00 C ATOM 264 O GLU A 19 -8.359 -9.030 6.874 1.00 0.00 O ATOM 265 CB GLU A 19 -8.556 -8.070 9.932 1.00 0.00 C ATOM 266 CG GLU A 19 -7.673 -8.571 11.062 1.00 0.00 C ATOM 267 CD GLU A 19 -6.989 -9.883 10.729 1.00 0.00 C ATOM 268 OE1 GLU A 19 -7.631 -10.943 10.886 1.00 0.00 O ATOM 269 OE2 GLU A 19 -5.812 -9.850 10.313 1.00 0.00 O ATOM 0 H GLU A 19 -7.959 -5.703 9.595 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.806 -8.100 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.172 -7.250 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.235 -8.868 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.917 -7.819 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.276 -8.698 11.961 1.00 0.00 H new ATOM 276 N LEU A 20 -9.371 -7.023 6.975 1.00 0.00 N ATOM 277 CA LEU A 20 -10.158 -7.236 5.766 1.00 0.00 C ATOM 278 C LEU A 20 -9.267 -7.222 4.527 1.00 0.00 C ATOM 279 O LEU A 20 -9.393 -8.076 3.650 1.00 0.00 O ATOM 280 CB LEU A 20 -11.241 -6.163 5.642 1.00 0.00 C ATOM 281 CG LEU A 20 -12.285 -6.420 4.553 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.488 -7.151 5.128 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.714 -5.111 3.906 1.00 0.00 C ATOM 0 H LEU A 20 -9.524 -6.120 7.424 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.633 -8.215 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.752 -6.072 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.761 -5.205 5.445 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.834 -7.051 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.219 -7.325 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.169 -8.107 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.940 -6.546 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.457 -5.313 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.146 -4.456 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.847 -4.626 3.457 1.00 0.00 H new ATOM 295 N LEU A 21 -8.368 -6.246 4.463 1.00 0.00 N ATOM 296 CA LEU A 21 -7.456 -6.119 3.332 1.00 0.00 C ATOM 297 C LEU A 21 -6.517 -7.318 3.253 1.00 0.00 C ATOM 298 O LEU A 21 -6.099 -7.722 2.167 1.00 0.00 O ATOM 299 CB LEU A 21 -6.643 -4.827 3.447 1.00 0.00 C ATOM 300 CG LEU A 21 -7.347 -3.571 2.931 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.680 -2.321 3.483 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.349 -3.550 1.410 1.00 0.00 C ATOM 0 H LEU A 21 -8.251 -5.531 5.181 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.052 -6.085 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.380 -4.673 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.710 -4.953 2.899 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.381 -3.588 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.194 -1.437 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.730 -2.332 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.637 -2.296 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.854 -2.650 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.322 -3.556 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.873 -4.429 1.035 1.00 0.00 H new ATOM 314 N VAL A 22 -6.187 -7.883 4.410 1.00 0.00 N ATOM 315 CA VAL A 22 -5.296 -9.035 4.472 1.00 0.00 C ATOM 316 C VAL A 22 -5.921 -10.251 3.796 1.00 0.00 C ATOM 317 O VAL A 22 -5.216 -11.096 3.242 1.00 0.00 O ATOM 318 CB VAL A 22 -4.944 -9.394 5.927 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.875 -10.476 5.968 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.493 -8.157 6.691 1.00 0.00 C ATOM 0 H VAL A 22 -6.524 -7.561 5.317 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.384 -8.759 3.943 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.840 -9.783 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.640 -10.716 7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.242 -11.369 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.976 -10.119 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.249 -8.432 7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.612 -7.733 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.295 -7.419 6.694 1.00 0.00 H new ATOM 330 N THR A 23 -7.246 -10.335 3.845 1.00 0.00 N ATOM 331 CA THR A 23 -7.964 -11.449 3.237 1.00 0.00 C ATOM 332 C THR A 23 -8.254 -11.172 1.765 1.00 0.00 C ATOM 333 O THR A 23 -8.198 -12.075 0.930 1.00 0.00 O ATOM 334 CB THR A 23 -9.273 -11.709 3.985 1.00 0.00 C ATOM 335 OG1 THR A 23 -9.110 -11.476 5.373 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.790 -13.120 3.814 1.00 0.00 C ATOM 0 H THR A 23 -7.844 -9.645 4.299 1.00 0.00 H new ATOM 0 HA THR A 23 -7.332 -12.335 3.304 1.00 0.00 H new ATOM 0 HB THR A 23 -9.997 -11.020 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.958 -11.646 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.720 -13.237 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.972 -13.315 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.051 -13.827 4.191 1.00 0.00 H new ATOM 344 N HIS A 24 -8.564 -9.918 1.453 1.00 0.00 N ATOM 345 CA HIS A 24 -8.862 -9.523 0.082 1.00 0.00 C ATOM 346 C HIS A 24 -7.616 -9.612 -0.794 1.00 0.00 C ATOM 347 O HIS A 24 -7.597 -10.330 -1.793 1.00 0.00 O ATOM 348 CB HIS A 24 -9.421 -8.099 0.048 1.00 0.00 C ATOM 349 CG HIS A 24 -10.873 -8.017 0.404 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.782 -9.023 0.156 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.573 -7.020 1.003 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.978 -8.614 0.601 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.905 -7.406 1.124 1.00 0.00 N ATOM 0 H HIS A 24 -8.615 -9.158 2.131 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.611 -10.210 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.851 -7.477 0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.276 -7.684 -0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.162 -6.077 1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.884 -9.198 0.539 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.667 -6.866 1.533 1.00 0.00 H new ATOM 361 N ILE A 25 -6.576 -8.878 -0.411 1.00 0.00 N ATOM 362 CA ILE A 25 -5.326 -8.874 -1.159 1.00 0.00 C ATOM 363 C ILE A 25 -4.623 -10.223 -1.062 1.00 0.00 C ATOM 364 O ILE A 25 -4.540 -10.815 0.015 1.00 0.00 O ATOM 365 CB ILE A 25 -4.372 -7.772 -0.658 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.090 -6.421 -0.621 1.00 0.00 C ATOM 367 CG2 ILE A 25 -3.135 -7.695 -1.543 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.554 -5.481 0.438 1.00 0.00 C ATOM 0 H ILE A 25 -6.575 -8.278 0.414 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.582 -8.675 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.055 -8.023 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.001 -5.944 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.152 -6.588 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.472 -6.912 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.613 -8.652 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.433 -7.467 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.109 -4.543 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.668 -5.938 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.499 -5.284 0.249 1.00 0.00 H new ATOM 380 N ARG A 26 -4.117 -10.705 -2.193 1.00 0.00 N ATOM 381 CA ARG A 26 -3.420 -11.984 -2.235 1.00 0.00 C ATOM 382 C ARG A 26 -1.935 -11.784 -2.520 1.00 0.00 C ATOM 383 O ARG A 26 -1.089 -12.516 -2.005 1.00 0.00 O ATOM 384 CB ARG A 26 -4.037 -12.890 -3.302 1.00 0.00 C ATOM 385 CG ARG A 26 -3.917 -14.373 -2.984 1.00 0.00 C ATOM 386 CD ARG A 26 -5.269 -14.988 -2.654 1.00 0.00 C ATOM 387 NE ARG A 26 -5.219 -15.800 -1.441 1.00 0.00 N ATOM 388 CZ ARG A 26 -5.247 -15.296 -0.209 1.00 0.00 C ATOM 389 NH1 ARG A 26 -5.324 -13.985 -0.023 1.00 0.00 N ATOM 390 NH2 ARG A 26 -5.199 -16.107 0.840 1.00 0.00 N ATOM 0 H ARG A 26 -4.177 -10.228 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.525 -12.459 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.091 -12.636 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.554 -12.692 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.478 -14.894 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.239 -14.511 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.007 -14.196 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.601 -15.604 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.159 -16.813 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.362 -13.357 -0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.345 -13.605 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.141 -17.116 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.220 -15.721 1.784 1.00 0.00 H new ATOM 404 N ASN A 27 -1.624 -10.787 -3.343 1.00 0.00 N ATOM 405 CA ASN A 27 -0.241 -10.490 -3.696 1.00 0.00 C ATOM 406 C ASN A 27 0.216 -9.184 -3.054 1.00 0.00 C ATOM 407 O ASN A 27 -0.549 -8.222 -2.970 1.00 0.00 O ATOM 408 CB ASN A 27 -0.088 -10.409 -5.216 1.00 0.00 C ATOM 409 CG ASN A 27 1.179 -11.081 -5.706 1.00 0.00 C ATOM 410 OD1 ASN A 27 2.245 -10.467 -5.748 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.069 -12.349 -6.082 1.00 0.00 N ATOM 0 H ASN A 27 -2.312 -10.172 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 27 0.387 -11.297 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.951 -10.876 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.083 -9.363 -5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.888 -12.853 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.166 -12.820 -6.031 1.00 0.00 H new ATOM 418 N THR A 28 1.466 -9.156 -2.605 1.00 0.00 N ATOM 419 CA THR A 28 2.025 -7.967 -1.969 1.00 0.00 C ATOM 420 C THR A 28 3.134 -7.362 -2.823 1.00 0.00 C ATOM 421 O THR A 28 3.303 -6.143 -2.865 1.00 0.00 O ATOM 422 CB THR A 28 2.566 -8.314 -0.582 1.00 0.00 C ATOM 423 OG1 THR A 28 3.304 -9.523 -0.619 1.00 0.00 O ATOM 424 CG2 THR A 28 1.482 -8.470 0.462 1.00 0.00 C ATOM 0 H THR A 28 2.112 -9.943 -2.669 1.00 0.00 H new ATOM 0 HA THR A 28 1.228 -7.231 -1.868 1.00 0.00 H new ATOM 0 HB THR A 28 3.200 -7.473 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.896 -9.569 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.935 -8.716 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.926 -7.537 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.804 -9.270 0.165 1.00 0.00 H new ATOM 432 N GLN A 29 3.889 -8.220 -3.502 1.00 0.00 N ATOM 433 CA GLN A 29 4.985 -7.771 -4.354 1.00 0.00 C ATOM 434 C GLN A 29 4.491 -6.780 -5.405 1.00 0.00 C ATOM 435 O GLN A 29 5.233 -5.898 -5.837 1.00 0.00 O ATOM 436 CB GLN A 29 5.653 -8.969 -5.033 1.00 0.00 C ATOM 437 CG GLN A 29 7.062 -9.243 -4.534 1.00 0.00 C ATOM 438 CD GLN A 29 8.056 -8.194 -4.993 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.752 -7.001 -5.016 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.254 -8.635 -5.361 1.00 0.00 N ATOM 0 H GLN A 29 3.762 -9.232 -3.479 1.00 0.00 H new ATOM 0 HA GLN A 29 5.717 -7.265 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.040 -9.856 -4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.685 -8.795 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.057 -9.282 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.384 -10.223 -4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.463 -9.633 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.965 -7.976 -5.678 1.00 0.00 H new ATOM 449 N CYS A 30 3.235 -6.932 -5.812 1.00 0.00 N ATOM 450 CA CYS A 30 2.645 -6.051 -6.812 1.00 0.00 C ATOM 451 C CYS A 30 2.620 -4.608 -6.319 1.00 0.00 C ATOM 452 O CYS A 30 2.903 -3.679 -7.075 1.00 0.00 O ATOM 453 CB CYS A 30 1.225 -6.510 -7.152 1.00 0.00 C ATOM 454 SG CYS A 30 0.725 -6.160 -8.854 1.00 0.00 S ATOM 0 H CYS A 30 2.607 -7.657 -5.465 1.00 0.00 H new ATOM 0 HA CYS A 30 3.260 -6.099 -7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.149 -7.583 -6.976 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.525 -6.025 -6.472 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.488 -6.586 -9.046 1.00 0.00 H new ATOM 460 N LEU A 31 2.281 -4.427 -5.046 1.00 0.00 N ATOM 461 CA LEU A 31 2.220 -3.097 -4.453 1.00 0.00 C ATOM 462 C LEU A 31 3.617 -2.586 -4.114 1.00 0.00 C ATOM 463 O LEU A 31 3.962 -1.445 -4.420 1.00 0.00 O ATOM 464 CB LEU A 31 1.352 -3.117 -3.193 1.00 0.00 C ATOM 465 CG LEU A 31 -0.109 -3.509 -3.418 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.652 -4.260 -2.213 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.952 -2.275 -3.704 1.00 0.00 C ATOM 0 H LEU A 31 2.045 -5.185 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 31 1.774 -2.422 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.793 -3.812 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.380 -2.128 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.160 -4.169 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.693 -4.531 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.064 -5.164 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.589 -3.625 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.989 -2.571 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.895 -1.591 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.577 -1.777 -4.598 1.00 0.00 H new ATOM 479 N VAL A 32 4.415 -3.439 -3.482 1.00 0.00 N ATOM 480 CA VAL A 32 5.775 -3.075 -3.101 1.00 0.00 C ATOM 481 C VAL A 32 6.604 -2.691 -4.322 1.00 0.00 C ATOM 482 O VAL A 32 7.397 -1.749 -4.275 1.00 0.00 O ATOM 483 CB VAL A 32 6.479 -4.227 -2.360 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.817 -3.767 -1.803 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.589 -4.772 -1.252 1.00 0.00 C ATOM 0 H VAL A 32 4.144 -4.387 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 32 5.696 -2.217 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 32 6.667 -5.031 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.299 -4.595 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.455 -3.431 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.657 -2.945 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.103 -5.585 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.367 -3.977 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.659 -5.144 -1.682 1.00 0.00 H new ATOM 495 N ASP A 33 6.415 -3.423 -5.414 1.00 0.00 N ATOM 496 CA ASP A 33 7.146 -3.159 -6.648 1.00 0.00 C ATOM 497 C ASP A 33 6.838 -1.761 -7.175 1.00 0.00 C ATOM 498 O ASP A 33 7.745 -0.977 -7.452 1.00 0.00 O ATOM 499 CB ASP A 33 6.794 -4.205 -7.708 1.00 0.00 C ATOM 500 CG ASP A 33 7.757 -4.188 -8.879 1.00 0.00 C ATOM 501 OD1 ASP A 33 7.620 -3.301 -9.748 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.650 -5.061 -8.927 1.00 0.00 O ATOM 0 H ASP A 33 5.762 -4.204 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 33 8.212 -3.218 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.798 -5.195 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.782 -4.025 -8.071 1.00 0.00 H new ATOM 507 N ASN A 34 5.551 -1.455 -7.311 1.00 0.00 N ATOM 508 CA ASN A 34 5.123 -0.152 -7.806 1.00 0.00 C ATOM 509 C ASN A 34 5.524 0.956 -6.837 1.00 0.00 C ATOM 510 O ASN A 34 6.043 1.995 -7.247 1.00 0.00 O ATOM 511 CB ASN A 34 3.609 -0.136 -8.018 1.00 0.00 C ATOM 512 CG ASN A 34 3.158 -1.161 -9.041 1.00 0.00 C ATOM 513 OD1 ASN A 34 2.076 -1.866 -8.734 1.00 0.00 O flip ATOM 514 ND2 ASN A 34 3.774 -1.316 -10.095 1.00 0.00 N flip ATOM 0 H ASN A 34 4.787 -2.092 -7.085 1.00 0.00 H new ATOM 0 HA ASN A 34 5.618 0.027 -8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.110 -0.330 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.301 0.858 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.601 -0.752 -10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.457 -2.009 -10.774 1.00 0.00 H new ATOM 521 N LEU A 35 5.279 0.729 -5.551 1.00 0.00 N ATOM 522 CA LEU A 35 5.615 1.708 -4.524 1.00 0.00 C ATOM 523 C LEU A 35 7.113 1.997 -4.516 1.00 0.00 C ATOM 524 O LEU A 35 7.540 3.105 -4.192 1.00 0.00 O ATOM 525 CB LEU A 35 5.173 1.207 -3.147 1.00 0.00 C ATOM 526 CG LEU A 35 3.661 1.175 -2.925 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.278 0.013 -2.021 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.181 2.492 -2.334 1.00 0.00 C ATOM 0 H LEU A 35 4.849 -0.125 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 35 5.086 2.633 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.568 0.202 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.624 1.842 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 35 3.175 1.033 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.198 0.007 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.587 -0.925 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.774 0.123 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.102 2.451 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.675 2.663 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.421 3.306 -3.018 1.00 0.00 H new ATOM 540 N LEU A 36 7.906 0.993 -4.876 1.00 0.00 N ATOM 541 CA LEU A 36 9.357 1.140 -4.910 1.00 0.00 C ATOM 542 C LEU A 36 9.796 1.912 -6.150 1.00 0.00 C ATOM 543 O LEU A 36 10.752 2.687 -6.105 1.00 0.00 O ATOM 544 CB LEU A 36 10.030 -0.234 -4.886 1.00 0.00 C ATOM 545 CG LEU A 36 10.083 -0.904 -3.512 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.527 -2.352 -3.641 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.013 -0.140 -2.582 1.00 0.00 C ATOM 0 H LEU A 36 7.569 0.070 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 36 9.662 1.702 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.501 -0.893 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.048 -0.130 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 36 9.081 -0.890 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.559 -2.812 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.822 -2.894 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.519 -2.390 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.038 -0.631 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.017 -0.122 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.651 0.881 -2.464 1.00 0.00 H new ATOM 559 N LYS A 37 9.091 1.697 -7.256 1.00 0.00 N ATOM 560 CA LYS A 37 9.409 2.373 -8.509 1.00 0.00 C ATOM 561 C LYS A 37 9.084 3.861 -8.421 1.00 0.00 C ATOM 562 O LYS A 37 9.772 4.692 -9.012 1.00 0.00 O ATOM 563 CB LYS A 37 8.637 1.737 -9.666 1.00 0.00 C ATOM 564 CG LYS A 37 9.002 2.306 -11.027 1.00 0.00 C ATOM 565 CD LYS A 37 7.971 3.316 -11.505 1.00 0.00 C ATOM 566 CE LYS A 37 8.629 4.504 -12.188 1.00 0.00 C ATOM 567 NZ LYS A 37 9.609 4.076 -13.224 1.00 0.00 N ATOM 0 H LYS A 37 8.296 1.060 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 37 10.478 2.263 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.823 0.663 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.569 1.875 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.981 2.782 -10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.082 1.496 -11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.281 2.833 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.381 3.664 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.863 5.128 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.134 5.118 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.729 4.836 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.524 3.872 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.259 3.220 -13.700 1.00 0.00 H new ATOM 581 N ASN A 38 8.030 4.189 -7.680 1.00 0.00 N ATOM 582 CA ASN A 38 7.614 5.577 -7.515 1.00 0.00 C ATOM 583 C ASN A 38 8.426 6.276 -6.425 1.00 0.00 C ATOM 584 O ASN A 38 8.213 7.456 -6.145 1.00 0.00 O ATOM 585 CB ASN A 38 6.124 5.645 -7.176 1.00 0.00 C ATOM 586 CG ASN A 38 5.245 5.524 -8.406 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.458 6.421 -8.711 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.375 4.412 -9.120 1.00 0.00 N ATOM 0 H ASN A 38 7.449 3.513 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 38 7.795 6.093 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.877 4.847 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.911 6.588 -6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.810 4.275 -9.958 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.040 3.695 -8.830 1.00 0.00 H new ATOM 595 N ASP A 39 9.358 5.548 -5.812 1.00 0.00 N ATOM 596 CA ASP A 39 10.194 6.109 -4.757 1.00 0.00 C ATOM 597 C ASP A 39 9.354 6.495 -3.544 1.00 0.00 C ATOM 598 O ASP A 39 9.638 7.486 -2.870 1.00 0.00 O ATOM 599 CB ASP A 39 10.960 7.329 -5.274 1.00 0.00 C ATOM 600 CG ASP A 39 12.385 7.379 -4.759 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.594 7.088 -3.563 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.291 7.709 -5.553 1.00 0.00 O ATOM 0 H ASP A 39 9.552 4.570 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 39 10.909 5.345 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.971 7.312 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.436 8.237 -4.974 1.00 0.00 H new ATOM 607 N TYR A 40 8.318 5.708 -3.272 1.00 0.00 N ATOM 608 CA TYR A 40 7.436 5.968 -2.140 1.00 0.00 C ATOM 609 C TYR A 40 7.880 5.178 -0.913 1.00 0.00 C ATOM 610 O TYR A 40 8.029 5.734 0.175 1.00 0.00 O ATOM 611 CB TYR A 40 5.993 5.609 -2.497 1.00 0.00 C ATOM 612 CG TYR A 40 5.217 6.754 -3.108 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.612 7.322 -4.313 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.089 7.267 -2.478 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.905 8.369 -4.873 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.377 8.313 -3.034 1.00 0.00 C ATOM 617 CZ TYR A 40 3.789 8.861 -4.229 1.00 0.00 C ATOM 618 OH TYR A 40 3.082 9.903 -4.785 1.00 0.00 O ATOM 0 H TYR A 40 8.069 4.885 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 40 7.491 7.031 -1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.998 4.771 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.478 5.272 -1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.485 6.939 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.764 6.842 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.225 8.800 -5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.501 8.699 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 40 2.324 10.129 -4.207 1.00 0.00 H new ATOM 628 N PHE A 41 8.090 3.879 -1.097 1.00 0.00 N ATOM 629 CA PHE A 41 8.518 3.011 -0.006 1.00 0.00 C ATOM 630 C PHE A 41 10.031 3.070 0.174 1.00 0.00 C ATOM 631 O PHE A 41 10.788 2.836 -0.768 1.00 0.00 O ATOM 632 CB PHE A 41 8.079 1.569 -0.271 1.00 0.00 C ATOM 633 CG PHE A 41 6.760 1.219 0.355 1.00 0.00 C ATOM 634 CD1 PHE A 41 5.649 2.023 0.158 1.00 0.00 C ATOM 635 CD2 PHE A 41 6.631 0.084 1.141 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.434 1.702 0.733 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.418 -0.241 1.718 1.00 0.00 C ATOM 638 CZ PHE A 41 4.318 0.569 1.514 1.00 0.00 C ATOM 0 H PHE A 41 7.971 3.404 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 41 8.047 3.363 0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.015 1.409 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.843 0.890 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.733 2.910 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.488 -0.553 1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.575 2.337 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.330 -1.128 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.369 0.317 1.964 1.00 0.00 H new ATOM 648 N SER A 42 10.465 3.385 1.390 1.00 0.00 N ATOM 649 CA SER A 42 11.888 3.475 1.694 1.00 0.00 C ATOM 650 C SER A 42 12.548 2.101 1.619 1.00 0.00 C ATOM 651 O SER A 42 11.868 1.076 1.586 1.00 0.00 O ATOM 652 CB SER A 42 12.097 4.079 3.083 1.00 0.00 C ATOM 653 OG SER A 42 11.104 5.047 3.373 1.00 0.00 O ATOM 0 H SER A 42 9.852 3.582 2.181 1.00 0.00 H new ATOM 0 HA SER A 42 12.353 4.123 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.070 3.290 3.834 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.084 4.538 3.139 1.00 0.00 H new ATOM 0 HG SER A 42 11.259 5.417 4.267 1.00 0.00 H new ATOM 659 N ALA A 43 13.876 2.089 1.592 1.00 0.00 N ATOM 660 CA ALA A 43 14.628 0.843 1.520 1.00 0.00 C ATOM 661 C ALA A 43 14.541 0.072 2.833 1.00 0.00 C ATOM 662 O ALA A 43 14.578 -1.158 2.845 1.00 0.00 O ATOM 663 CB ALA A 43 16.081 1.123 1.167 1.00 0.00 C ATOM 0 H ALA A 43 14.454 2.929 1.619 1.00 0.00 H new ATOM 0 HA ALA A 43 14.187 0.227 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.631 0.183 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.130 1.625 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.524 1.762 1.931 1.00 0.00 H new ATOM 669 N GLU A 44 14.425 0.803 3.937 1.00 0.00 N ATOM 670 CA GLU A 44 14.333 0.188 5.255 1.00 0.00 C ATOM 671 C GLU A 44 12.955 -0.430 5.474 1.00 0.00 C ATOM 672 O GLU A 44 12.831 -1.495 6.078 1.00 0.00 O ATOM 673 CB GLU A 44 14.619 1.222 6.346 1.00 0.00 C ATOM 674 CG GLU A 44 15.937 1.955 6.158 1.00 0.00 C ATOM 675 CD GLU A 44 16.111 3.103 7.132 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.792 2.921 8.327 1.00 0.00 O ATOM 677 OE2 GLU A 44 16.564 4.184 6.702 1.00 0.00 O ATOM 0 H GLU A 44 14.393 1.822 3.944 1.00 0.00 H new ATOM 0 HA GLU A 44 15.080 -0.604 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.808 1.950 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.625 0.723 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.760 1.251 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.994 2.337 5.139 1.00 0.00 H new ATOM 684 N ASP A 45 11.924 0.246 4.978 1.00 0.00 N ATOM 685 CA ASP A 45 10.555 -0.238 5.121 1.00 0.00 C ATOM 686 C ASP A 45 10.330 -1.489 4.279 1.00 0.00 C ATOM 687 O ASP A 45 9.604 -2.397 4.681 1.00 0.00 O ATOM 688 CB ASP A 45 9.563 0.853 4.711 1.00 0.00 C ATOM 689 CG ASP A 45 9.266 1.818 5.843 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.225 2.392 6.400 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.074 1.999 6.172 1.00 0.00 O ATOM 0 H ASP A 45 12.010 1.129 4.474 1.00 0.00 H new ATOM 0 HA ASP A 45 10.392 -0.494 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.965 1.406 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.634 0.390 4.379 1.00 0.00 H new ATOM 696 N ALA A 46 10.959 -1.530 3.108 1.00 0.00 N ATOM 697 CA ALA A 46 10.828 -2.672 2.211 1.00 0.00 C ATOM 698 C ALA A 46 11.390 -3.938 2.846 1.00 0.00 C ATOM 699 O ALA A 46 10.913 -5.042 2.583 1.00 0.00 O ATOM 700 CB ALA A 46 11.527 -2.387 0.889 1.00 0.00 C ATOM 0 H ALA A 46 11.564 -0.786 2.759 1.00 0.00 H new ATOM 0 HA ALA A 46 9.767 -2.833 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.421 -3.248 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.076 -1.512 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.585 -2.196 1.070 1.00 0.00 H new ATOM 706 N GLU A 47 12.406 -3.771 3.686 1.00 0.00 N ATOM 707 CA GLU A 47 13.035 -4.899 4.362 1.00 0.00 C ATOM 708 C GLU A 47 12.116 -5.474 5.437 1.00 0.00 C ATOM 709 O GLU A 47 12.171 -6.665 5.743 1.00 0.00 O ATOM 710 CB GLU A 47 14.366 -4.469 4.985 1.00 0.00 C ATOM 711 CG GLU A 47 15.571 -5.189 4.401 1.00 0.00 C ATOM 712 CD GLU A 47 16.883 -4.677 4.961 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.966 -3.471 5.272 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.829 -5.484 5.090 1.00 0.00 O ATOM 0 H GLU A 47 12.812 -2.864 3.915 1.00 0.00 H new ATOM 0 HA GLU A 47 13.223 -5.676 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.492 -3.395 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.330 -4.650 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.485 -6.257 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.571 -5.070 3.318 1.00 0.00 H new ATOM 721 N ILE A 48 11.273 -4.619 6.008 1.00 0.00 N ATOM 722 CA ILE A 48 10.344 -5.041 7.048 1.00 0.00 C ATOM 723 C ILE A 48 9.230 -5.911 6.472 1.00 0.00 C ATOM 724 O ILE A 48 8.698 -6.788 7.153 1.00 0.00 O ATOM 725 CB ILE A 48 9.717 -3.831 7.768 1.00 0.00 C ATOM 726 CG1 ILE A 48 10.808 -2.862 8.227 1.00 0.00 C ATOM 727 CG2 ILE A 48 8.879 -4.292 8.951 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.305 -1.454 8.462 1.00 0.00 C ATOM 0 H ILE A 48 11.215 -3.630 5.767 1.00 0.00 H new ATOM 0 HA ILE A 48 10.920 -5.623 7.768 1.00 0.00 H new ATOM 0 HB ILE A 48 9.064 -3.310 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.253 -3.239 9.148 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.599 -2.836 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.444 -3.425 9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.082 -4.947 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.510 -4.835 9.655 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.132 -0.822 8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.886 -1.058 7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.535 -1.467 9.233 1.00 0.00 H new ATOM 740 N VAL A 49 8.883 -5.664 5.213 1.00 0.00 N ATOM 741 CA VAL A 49 7.833 -6.426 4.546 1.00 0.00 C ATOM 742 C VAL A 49 8.293 -7.849 4.251 1.00 0.00 C ATOM 743 O VAL A 49 7.621 -8.817 4.610 1.00 0.00 O ATOM 744 CB VAL A 49 7.399 -5.753 3.230 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.207 -6.477 2.624 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.077 -4.284 3.461 1.00 0.00 C ATOM 0 H VAL A 49 9.313 -4.943 4.634 1.00 0.00 H new ATOM 0 HA VAL A 49 6.981 -6.456 5.226 1.00 0.00 H new ATOM 0 HB VAL A 49 8.228 -5.814 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.917 -5.986 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.477 -7.513 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.372 -6.452 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.772 -3.826 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.267 -4.199 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.961 -3.774 3.844 1.00 0.00 H new ATOM 756 N CYS A 50 9.443 -7.969 3.595 1.00 0.00 N ATOM 757 CA CYS A 50 9.996 -9.275 3.252 1.00 0.00 C ATOM 758 C CYS A 50 10.244 -10.110 4.505 1.00 0.00 C ATOM 759 O CYS A 50 10.262 -11.340 4.448 1.00 0.00 O ATOM 760 CB CYS A 50 11.299 -9.109 2.469 1.00 0.00 C ATOM 761 SG CYS A 50 11.081 -9.059 0.674 1.00 0.00 S ATOM 0 H CYS A 50 10.010 -7.178 3.290 1.00 0.00 H new ATOM 0 HA CYS A 50 9.269 -9.797 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.789 -8.190 2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.969 -9.932 2.720 1.00 0.00 H new ATOM 0 HG CYS A 50 12.238 -8.914 0.100 1.00 0.00 H new ATOM 767 N ALA A 51 10.436 -9.436 5.635 1.00 0.00 N ATOM 768 CA ALA A 51 10.685 -10.118 6.901 1.00 0.00 C ATOM 769 C ALA A 51 9.580 -11.120 7.218 1.00 0.00 C ATOM 770 O ALA A 51 9.813 -12.123 7.892 1.00 0.00 O ATOM 771 CB ALA A 51 10.816 -9.103 8.027 1.00 0.00 C ATOM 0 H ALA A 51 10.424 -8.418 5.700 1.00 0.00 H new ATOM 0 HA ALA A 51 11.620 -10.670 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.002 -9.624 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.647 -8.430 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.894 -8.527 8.107 1.00 0.00 H new ATOM 777 N CYS A 52 8.375 -10.842 6.729 1.00 0.00 N ATOM 778 CA CYS A 52 7.235 -11.723 6.962 1.00 0.00 C ATOM 779 C CYS A 52 7.507 -13.122 6.413 1.00 0.00 C ATOM 780 O CYS A 52 8.059 -13.272 5.323 1.00 0.00 O ATOM 781 CB CYS A 52 5.976 -11.143 6.314 1.00 0.00 C ATOM 782 SG CYS A 52 5.267 -9.739 7.205 1.00 0.00 S ATOM 0 H CYS A 52 8.163 -10.016 6.170 1.00 0.00 H new ATOM 0 HA CYS A 52 7.079 -11.799 8.038 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.214 -10.831 5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.224 -11.929 6.239 1.00 0.00 H new ATOM 0 HG CYS A 52 5.755 -8.632 6.729 1.00 0.00 H new ATOM 788 N PRO A 53 7.123 -14.171 7.163 1.00 0.00 N ATOM 789 CA PRO A 53 7.330 -15.558 6.741 1.00 0.00 C ATOM 790 C PRO A 53 6.348 -15.990 5.658 1.00 0.00 C ATOM 791 O PRO A 53 6.720 -16.677 4.707 1.00 0.00 O ATOM 792 CB PRO A 53 7.093 -16.351 8.026 1.00 0.00 C ATOM 793 CG PRO A 53 6.133 -15.521 8.805 1.00 0.00 C ATOM 794 CD PRO A 53 6.458 -14.088 8.479 1.00 0.00 C ATOM 0 HA PRO A 53 8.316 -15.710 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.682 -17.338 7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.022 -16.504 8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.104 -15.758 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.233 -15.710 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.559 -13.473 8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.111 -13.644 9.231 1.00 0.00 H new ATOM 802 N THR A 54 5.091 -15.583 5.809 1.00 0.00 N ATOM 803 CA THR A 54 4.055 -15.928 4.844 1.00 0.00 C ATOM 804 C THR A 54 3.595 -14.694 4.073 1.00 0.00 C ATOM 805 O THR A 54 4.035 -13.579 4.349 1.00 0.00 O ATOM 806 CB THR A 54 2.863 -16.572 5.554 1.00 0.00 C ATOM 807 OG1 THR A 54 2.269 -15.664 6.464 1.00 0.00 O ATOM 808 CG2 THR A 54 3.229 -17.821 6.326 1.00 0.00 C ATOM 0 H THR A 54 4.766 -15.014 6.591 1.00 0.00 H new ATOM 0 HA THR A 54 4.477 -16.640 4.135 1.00 0.00 H new ATOM 0 HB THR A 54 2.169 -16.845 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.508 -16.095 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.338 -18.227 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.643 -18.563 5.643 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.970 -17.575 7.087 1.00 0.00 H new ATOM 816 N GLN A 55 2.709 -14.905 3.105 1.00 0.00 N ATOM 817 CA GLN A 55 2.188 -13.810 2.293 1.00 0.00 C ATOM 818 C GLN A 55 1.174 -12.982 3.078 1.00 0.00 C ATOM 819 O GLN A 55 1.295 -11.759 3.167 1.00 0.00 O ATOM 820 CB GLN A 55 1.546 -14.356 1.016 1.00 0.00 C ATOM 821 CG GLN A 55 2.005 -13.645 -0.247 1.00 0.00 C ATOM 822 CD GLN A 55 3.322 -14.180 -0.772 1.00 0.00 C ATOM 823 OE1 GLN A 55 3.514 -15.392 -0.879 1.00 0.00 O ATOM 824 NE2 GLN A 55 4.239 -13.278 -1.101 1.00 0.00 N ATOM 0 H GLN A 55 2.337 -15.823 2.863 1.00 0.00 H new ATOM 0 HA GLN A 55 3.022 -13.162 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.776 -15.418 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.463 -14.270 1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.241 -13.751 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.106 -12.579 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.037 -12.284 -0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.145 -13.579 -1.459 1.00 0.00 H new ATOM 833 N PRO A 56 0.154 -13.638 3.662 1.00 0.00 N ATOM 834 CA PRO A 56 -0.882 -12.952 4.441 1.00 0.00 C ATOM 835 C PRO A 56 -0.295 -12.015 5.492 1.00 0.00 C ATOM 836 O PRO A 56 -0.921 -11.027 5.874 1.00 0.00 O ATOM 837 CB PRO A 56 -1.638 -14.100 5.111 1.00 0.00 C ATOM 838 CG PRO A 56 -1.438 -15.264 4.204 1.00 0.00 C ATOM 839 CD PRO A 56 -0.067 -15.096 3.608 1.00 0.00 C ATOM 0 HA PRO A 56 -1.509 -12.317 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.247 -14.303 6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.696 -13.864 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.512 -16.203 4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.201 -15.288 3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.688 -15.638 4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.025 -15.471 2.585 1.00 0.00 H new ATOM 847 N ASP A 57 0.910 -12.333 5.955 1.00 0.00 N ATOM 848 CA ASP A 57 1.581 -11.519 6.961 1.00 0.00 C ATOM 849 C ASP A 57 2.177 -10.262 6.334 1.00 0.00 C ATOM 850 O ASP A 57 2.215 -9.202 6.958 1.00 0.00 O ATOM 851 CB ASP A 57 2.677 -12.331 7.656 1.00 0.00 C ATOM 852 CG ASP A 57 2.419 -12.500 9.140 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.701 -13.453 9.513 1.00 0.00 O ATOM 854 OD2 ASP A 57 2.934 -11.681 9.929 1.00 0.00 O ATOM 0 H ASP A 57 1.441 -13.148 5.649 1.00 0.00 H new ATOM 0 HA ASP A 57 0.841 -11.216 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.749 -13.313 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.638 -11.837 7.511 1.00 0.00 H new ATOM 859 N LYS A 58 2.642 -10.389 5.095 1.00 0.00 N ATOM 860 CA LYS A 58 3.236 -9.265 4.382 1.00 0.00 C ATOM 861 C LYS A 58 2.210 -8.160 4.157 1.00 0.00 C ATOM 862 O LYS A 58 2.545 -6.976 4.175 1.00 0.00 O ATOM 863 CB LYS A 58 3.806 -9.729 3.039 1.00 0.00 C ATOM 864 CG LYS A 58 4.926 -10.749 3.174 1.00 0.00 C ATOM 865 CD LYS A 58 5.020 -11.643 1.946 1.00 0.00 C ATOM 866 CE LYS A 58 6.342 -11.457 1.219 1.00 0.00 C ATOM 867 NZ LYS A 58 7.269 -12.598 1.453 1.00 0.00 N ATOM 0 H LYS A 58 2.619 -11.260 4.564 1.00 0.00 H new ATOM 0 HA LYS A 58 4.045 -8.866 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.003 -10.161 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.179 -8.862 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.874 -10.232 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.756 -11.362 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.912 -12.686 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.196 -11.419 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.157 -11.353 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.813 -10.532 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.159 -12.433 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.466 -12.682 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.831 -13.477 1.112 1.00 0.00 H new ATOM 881 N VAL A 59 0.959 -8.555 3.948 1.00 0.00 N ATOM 882 CA VAL A 59 -0.117 -7.598 3.721 1.00 0.00 C ATOM 883 C VAL A 59 -0.327 -6.710 4.943 1.00 0.00 C ATOM 884 O VAL A 59 -0.455 -5.491 4.822 1.00 0.00 O ATOM 885 CB VAL A 59 -1.442 -8.309 3.384 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.511 -7.297 3.000 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.236 -9.324 2.270 1.00 0.00 C ATOM 0 H VAL A 59 0.665 -9.532 3.931 1.00 0.00 H new ATOM 0 HA VAL A 59 0.181 -6.982 2.872 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.781 -8.842 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.439 -7.819 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.680 -6.613 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.182 -6.733 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.183 -9.816 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.871 -8.816 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.506 -10.069 2.587 1.00 0.00 H new ATOM 897 N ARG A 60 -0.362 -7.328 6.119 1.00 0.00 N ATOM 898 CA ARG A 60 -0.557 -6.594 7.363 1.00 0.00 C ATOM 899 C ARG A 60 0.629 -5.679 7.651 1.00 0.00 C ATOM 900 O ARG A 60 0.477 -4.631 8.279 1.00 0.00 O ATOM 901 CB ARG A 60 -0.759 -7.568 8.526 1.00 0.00 C ATOM 902 CG ARG A 60 -1.704 -7.049 9.597 1.00 0.00 C ATOM 903 CD ARG A 60 -1.357 -7.612 10.966 1.00 0.00 C ATOM 904 NE ARG A 60 -2.324 -7.210 11.984 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.086 -7.261 13.293 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.915 -7.694 13.745 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.020 -6.878 14.152 1.00 0.00 N ATOM 0 H ARG A 60 -0.258 -8.336 6.236 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.448 -5.976 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.146 -8.510 8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.208 -7.784 8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.658 -5.960 9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.729 -7.318 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.319 -8.700 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.363 -7.272 11.256 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.235 -6.870 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.193 -7.990 13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.738 -7.731 14.749 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.921 -6.544 13.810 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.838 -6.917 15.155 1.00 0.00 H new ATOM 921 N LYS A 61 1.809 -6.080 7.189 1.00 0.00 N ATOM 922 CA LYS A 61 3.019 -5.294 7.401 1.00 0.00 C ATOM 923 C LYS A 61 3.022 -4.049 6.518 1.00 0.00 C ATOM 924 O LYS A 61 3.301 -2.945 6.986 1.00 0.00 O ATOM 925 CB LYS A 61 4.261 -6.140 7.111 1.00 0.00 C ATOM 926 CG LYS A 61 5.565 -5.449 7.474 1.00 0.00 C ATOM 927 CD LYS A 61 5.726 -5.319 8.981 1.00 0.00 C ATOM 928 CE LYS A 61 6.272 -6.598 9.595 1.00 0.00 C ATOM 929 NZ LYS A 61 6.446 -6.475 11.069 1.00 0.00 N ATOM 0 H LYS A 61 1.953 -6.944 6.666 1.00 0.00 H new ATOM 0 HA LYS A 61 3.038 -4.979 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.190 -7.077 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.277 -6.395 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.403 -6.013 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.593 -4.460 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.398 -4.490 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.763 -5.080 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.595 -7.424 9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.230 -6.842 9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.820 -7.367 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.112 -5.704 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.528 -6.268 11.511 1.00 0.00 H new ATOM 943 N ILE A 62 2.710 -4.235 5.240 1.00 0.00 N ATOM 944 CA ILE A 62 2.676 -3.127 4.293 1.00 0.00 C ATOM 945 C ILE A 62 1.658 -2.073 4.718 1.00 0.00 C ATOM 946 O ILE A 62 1.917 -0.873 4.624 1.00 0.00 O ATOM 947 CB ILE A 62 2.337 -3.613 2.870 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.284 -4.739 2.453 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.412 -2.459 1.880 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.619 -5.809 1.613 1.00 0.00 C ATOM 0 H ILE A 62 2.477 -5.142 4.836 1.00 0.00 H new ATOM 0 HA ILE A 62 3.672 -2.684 4.287 1.00 0.00 H new ATOM 0 HB ILE A 62 1.318 -4.000 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.116 -4.314 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.704 -5.199 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.170 -2.821 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.700 -1.685 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.420 -2.044 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.350 -6.575 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.804 -6.261 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.223 -5.362 0.701 1.00 0.00 H new ATOM 962 N LEU A 63 0.501 -2.528 5.186 1.00 0.00 N ATOM 963 CA LEU A 63 -0.555 -1.623 5.625 1.00 0.00 C ATOM 964 C LEU A 63 -0.089 -0.773 6.803 1.00 0.00 C ATOM 965 O LEU A 63 -0.307 0.437 6.832 1.00 0.00 O ATOM 966 CB LEU A 63 -1.805 -2.415 6.016 1.00 0.00 C ATOM 967 CG LEU A 63 -2.427 -3.244 4.891 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.226 -4.404 5.462 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.307 -2.369 4.011 1.00 0.00 C ATOM 0 H LEU A 63 0.270 -3.518 5.271 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.798 -0.960 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.550 -3.082 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.555 -1.718 6.390 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.624 -3.652 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.661 -4.982 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.569 -5.044 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.022 -4.019 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.742 -2.974 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.104 -1.933 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.706 -1.572 3.573 1.00 0.00 H new ATOM 981 N ASP A 64 0.555 -1.416 7.772 1.00 0.00 N ATOM 982 CA ASP A 64 1.052 -0.719 8.952 1.00 0.00 C ATOM 983 C ASP A 64 2.114 0.307 8.571 1.00 0.00 C ATOM 984 O ASP A 64 2.124 1.425 9.087 1.00 0.00 O ATOM 985 CB ASP A 64 1.629 -1.719 9.956 1.00 0.00 C ATOM 986 CG ASP A 64 1.345 -1.326 11.392 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.228 -0.839 11.664 1.00 0.00 O ATOM 988 OD2 ASP A 64 2.239 -1.508 12.245 1.00 0.00 O ATOM 0 H ASP A 64 0.745 -2.418 7.763 1.00 0.00 H new ATOM 0 HA ASP A 64 0.215 -0.195 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.210 -2.706 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.706 -1.796 9.810 1.00 0.00 H new ATOM 993 N LEU A 65 3.006 -0.080 7.665 1.00 0.00 N ATOM 994 CA LEU A 65 4.072 0.807 7.216 1.00 0.00 C ATOM 995 C LEU A 65 3.499 2.067 6.576 1.00 0.00 C ATOM 996 O LEU A 65 3.970 3.175 6.833 1.00 0.00 O ATOM 997 CB LEU A 65 4.980 0.082 6.220 1.00 0.00 C ATOM 998 CG LEU A 65 5.881 -0.991 6.829 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.780 -1.600 5.765 1.00 0.00 C ATOM 1000 CD2 LEU A 65 6.711 -0.409 7.963 1.00 0.00 C ATOM 0 H LEU A 65 3.012 -1.002 7.228 1.00 0.00 H new ATOM 0 HA LEU A 65 4.659 1.099 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.357 -0.380 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.607 0.820 5.719 1.00 0.00 H new ATOM 0 HG LEU A 65 5.250 -1.781 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.415 -2.362 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.167 -2.054 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.404 -0.821 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.347 -1.187 8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.333 0.400 7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.049 -0.022 8.737 1.00 0.00 H new ATOM 1012 N VAL A 66 2.480 1.890 5.742 1.00 0.00 N ATOM 1013 CA VAL A 66 1.841 3.013 5.067 1.00 0.00 C ATOM 1014 C VAL A 66 1.267 4.004 6.073 1.00 0.00 C ATOM 1015 O VAL A 66 1.203 5.205 5.810 1.00 0.00 O ATOM 1016 CB VAL A 66 0.714 2.537 4.129 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.174 3.699 3.308 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.207 1.417 3.223 1.00 0.00 C ATOM 0 H VAL A 66 2.079 0.979 5.517 1.00 0.00 H new ATOM 0 HA VAL A 66 2.611 3.507 4.475 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.099 2.146 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.620 3.343 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.222 4.463 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.978 4.124 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.397 1.095 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.040 1.777 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.538 0.576 3.832 1.00 0.00 H new ATOM 1028 N GLN A 67 0.849 3.494 7.226 1.00 0.00 N ATOM 1029 CA GLN A 67 0.280 4.335 8.273 1.00 0.00 C ATOM 1030 C GLN A 67 1.358 5.188 8.934 1.00 0.00 C ATOM 1031 O GLN A 67 1.099 6.311 9.363 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.419 3.472 9.325 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.561 2.637 8.767 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.958 1.503 9.690 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.769 1.579 10.905 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -2.513 0.441 9.118 1.00 0.00 N ATOM 0 H GLN A 67 0.893 2.502 7.460 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.451 4.999 7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.314 2.809 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.804 4.117 10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.425 3.279 8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.269 2.228 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.651 0.420 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.801 -0.354 9.689 1.00 0.00 H new ATOM 1045 N SER A 68 2.569 4.645 9.012 1.00 0.00 N ATOM 1046 CA SER A 68 3.687 5.356 9.621 1.00 0.00 C ATOM 1047 C SER A 68 4.260 6.393 8.661 1.00 0.00 C ATOM 1048 O SER A 68 4.729 7.451 9.081 1.00 0.00 O ATOM 1049 CB SER A 68 4.780 4.370 10.036 1.00 0.00 C ATOM 1050 OG SER A 68 5.384 4.762 11.258 1.00 0.00 O ATOM 0 H SER A 68 2.801 3.716 8.661 1.00 0.00 H new ATOM 0 HA SER A 68 3.317 5.872 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.353 3.372 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.538 4.312 9.254 1.00 0.00 H new ATOM 0 HG SER A 68 6.078 4.115 11.502 1.00 0.00 H new ATOM 1056 N LYS A 69 4.220 6.083 7.369 1.00 0.00 N ATOM 1057 CA LYS A 69 4.735 6.988 6.349 1.00 0.00 C ATOM 1058 C LYS A 69 3.938 8.290 6.323 1.00 0.00 C ATOM 1059 O LYS A 69 4.511 9.379 6.319 1.00 0.00 O ATOM 1060 CB LYS A 69 4.690 6.321 4.975 1.00 0.00 C ATOM 1061 CG LYS A 69 5.599 5.108 4.857 1.00 0.00 C ATOM 1062 CD LYS A 69 5.312 4.316 3.592 1.00 0.00 C ATOM 1063 CE LYS A 69 6.057 2.991 3.582 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.500 3.168 3.257 1.00 0.00 N ATOM 0 H LYS A 69 3.836 5.211 7.004 1.00 0.00 H new ATOM 0 HA LYS A 69 5.770 7.222 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.665 6.019 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.972 7.051 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.640 5.431 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.465 4.466 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.241 4.133 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.601 4.903 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.960 2.513 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.600 2.323 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.837 2.348 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.625 4.032 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.047 3.248 4.138 1.00 0.00 H new ATOM 1078 N GLY A 70 2.615 8.167 6.306 1.00 0.00 N ATOM 1079 CA GLY A 70 1.762 9.341 6.280 1.00 0.00 C ATOM 1080 C GLY A 70 0.720 9.278 5.181 1.00 0.00 C ATOM 1081 O GLY A 70 0.705 8.340 4.385 1.00 0.00 O ATOM 0 H GLY A 70 2.118 7.276 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.263 9.445 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.377 10.230 6.142 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.153 10.280 5.139 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.204 10.337 4.130 1.00 0.00 C ATOM 1087 C GLU A 71 -0.612 10.469 2.729 1.00 0.00 C ATOM 1088 O GLU A 71 -1.218 10.043 1.747 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.145 11.509 4.410 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.314 11.149 5.312 1.00 0.00 C ATOM 1091 CD GLU A 71 -3.933 12.362 5.979 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -3.177 13.178 6.546 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.174 12.496 5.932 1.00 0.00 O ATOM 0 H GLU A 71 -0.153 11.063 5.792 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.768 9.406 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.577 12.318 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.531 11.889 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.075 10.634 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.975 10.451 6.078 1.00 0.00 H new ATOM 1100 N GLU A 72 0.576 11.061 2.645 1.00 0.00 N ATOM 1101 CA GLU A 72 1.249 11.251 1.365 1.00 0.00 C ATOM 1102 C GLU A 72 1.425 9.921 0.636 1.00 0.00 C ATOM 1103 O GLU A 72 1.441 9.874 -0.594 1.00 0.00 O ATOM 1104 CB GLU A 72 2.613 11.911 1.575 1.00 0.00 C ATOM 1105 CG GLU A 72 3.157 12.594 0.331 1.00 0.00 C ATOM 1106 CD GLU A 72 2.862 14.080 0.305 1.00 0.00 C ATOM 1107 OE1 GLU A 72 1.700 14.460 0.562 1.00 0.00 O ATOM 1108 OE2 GLU A 72 3.793 14.867 0.029 1.00 0.00 O ATOM 0 H GLU A 72 1.092 11.417 3.449 1.00 0.00 H new ATOM 0 HA GLU A 72 0.626 11.902 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.532 12.645 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.326 11.155 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.235 12.441 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.725 12.126 -0.554 1.00 0.00 H new ATOM 1115 N VAL A 73 1.554 8.843 1.403 1.00 0.00 N ATOM 1116 CA VAL A 73 1.727 7.514 0.829 1.00 0.00 C ATOM 1117 C VAL A 73 0.432 6.713 0.897 1.00 0.00 C ATOM 1118 O VAL A 73 0.166 5.868 0.042 1.00 0.00 O ATOM 1119 CB VAL A 73 2.840 6.731 1.549 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.143 5.434 0.814 1.00 0.00 C ATOM 1121 CG2 VAL A 73 4.094 7.582 1.680 1.00 0.00 C ATOM 0 H VAL A 73 1.542 8.864 2.423 1.00 0.00 H new ATOM 0 HA VAL A 73 2.010 7.655 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 73 2.492 6.481 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.932 4.895 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.245 4.818 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.470 5.659 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.869 7.011 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.447 7.865 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.866 8.480 2.254 1.00 0.00 H new ATOM 1131 N SER A 74 -0.373 6.982 1.920 1.00 0.00 N ATOM 1132 CA SER A 74 -1.641 6.286 2.101 1.00 0.00 C ATOM 1133 C SER A 74 -2.566 6.522 0.911 1.00 0.00 C ATOM 1134 O SER A 74 -3.263 5.611 0.464 1.00 0.00 O ATOM 1135 CB SER A 74 -2.321 6.745 3.391 1.00 0.00 C ATOM 1136 OG SER A 74 -3.153 5.728 3.920 1.00 0.00 O ATOM 0 H SER A 74 -0.169 7.678 2.637 1.00 0.00 H new ATOM 0 HA SER A 74 -1.433 5.218 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.565 7.019 4.126 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.914 7.638 3.195 1.00 0.00 H new ATOM 0 HG SER A 74 -2.755 5.375 4.743 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.569 7.750 0.405 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.410 8.106 -0.732 1.00 0.00 C ATOM 1144 C GLU A 75 -2.962 7.372 -1.992 1.00 0.00 C ATOM 1145 O GLU A 75 -3.786 6.860 -2.750 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.373 9.616 -0.969 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.257 10.074 -2.118 1.00 0.00 C ATOM 1148 CD GLU A 75 -3.889 11.456 -2.621 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -2.683 11.779 -2.643 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -4.808 12.216 -2.994 1.00 0.00 O ATOM 0 H GLU A 75 -1.999 8.516 0.764 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.432 7.806 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.684 10.126 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.345 9.919 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.179 9.360 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.297 10.075 -1.793 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.652 7.324 -2.208 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.094 6.653 -3.377 1.00 0.00 C ATOM 1159 C PHE A 76 -1.259 5.141 -3.268 1.00 0.00 C ATOM 1160 O PHE A 76 -1.575 4.469 -4.250 1.00 0.00 O ATOM 1161 CB PHE A 76 0.386 7.006 -3.535 1.00 0.00 C ATOM 1162 CG PHE A 76 1.006 6.446 -4.784 1.00 0.00 C ATOM 1163 CD1 PHE A 76 1.570 5.180 -4.786 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.025 7.187 -5.955 1.00 0.00 C ATOM 1165 CE1 PHE A 76 2.140 4.662 -5.933 1.00 0.00 C ATOM 1166 CE2 PHE A 76 1.593 6.674 -7.105 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.152 5.411 -7.094 1.00 0.00 C ATOM 0 H PHE A 76 -0.957 7.741 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.639 6.997 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.494 8.091 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.934 6.635 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.564 4.592 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.591 8.176 -5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.575 3.674 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.600 7.260 -8.012 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.598 5.009 -7.992 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.043 4.611 -2.068 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.167 3.178 -1.832 1.00 0.00 C ATOM 1179 C PHE A 77 -2.593 2.703 -2.092 1.00 0.00 C ATOM 1180 O PHE A 77 -2.817 1.766 -2.858 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.760 2.840 -0.396 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.780 1.368 -0.096 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.254 0.548 -0.517 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.833 0.806 0.609 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.238 -0.807 -0.242 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.853 -0.547 0.887 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.817 -1.355 0.460 1.00 0.00 C ATOM 0 H PHE A 77 -0.781 5.153 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.500 2.663 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.242 3.226 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.432 3.352 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.082 0.972 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.646 1.433 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.050 -1.436 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.678 -0.973 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.832 -2.413 0.675 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.555 3.357 -1.449 1.00 0.00 N ATOM 1198 CA LEU A 78 -4.961 3.004 -1.610 1.00 0.00 C ATOM 1199 C LEU A 78 -5.395 3.140 -3.066 1.00 0.00 C ATOM 1200 O LEU A 78 -6.273 2.413 -3.532 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.835 3.889 -0.719 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.049 3.364 0.704 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -5.880 4.484 1.719 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.425 2.728 0.835 1.00 0.00 C ATOM 0 H LEU A 78 -3.386 4.135 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.085 1.963 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.383 4.879 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.808 4.010 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.296 2.602 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.036 4.091 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.874 4.896 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.609 5.269 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.561 2.360 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.192 3.470 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.510 1.897 0.135 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.777 4.075 -3.779 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.101 4.306 -5.182 1.00 0.00 C ATOM 1218 C TYR A 79 -4.700 3.110 -6.038 1.00 0.00 C ATOM 1219 O TYR A 79 -5.395 2.752 -6.989 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.400 5.568 -5.688 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.186 6.316 -6.742 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -6.107 7.293 -6.385 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.005 6.047 -8.093 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.828 7.978 -7.344 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.721 6.729 -9.058 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.631 7.693 -8.678 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.345 8.374 -9.637 1.00 0.00 O ATOM 0 H TYR A 79 -4.049 4.685 -3.408 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.180 4.441 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.214 6.233 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.428 5.294 -6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.262 7.521 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.293 5.293 -8.394 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.542 8.733 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.569 6.508 -10.104 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.086 8.054 -10.526 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.573 2.494 -5.696 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.078 1.338 -6.433 1.00 0.00 C ATOM 1239 C LEU A 80 -4.092 0.198 -6.403 1.00 0.00 C ATOM 1240 O LEU A 80 -4.253 -0.528 -7.384 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.746 0.866 -5.848 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.553 1.779 -6.137 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.454 1.716 -4.998 1.00 0.00 C ATOM 1244 CD2 LEU A 80 0.105 1.395 -7.453 1.00 0.00 C ATOM 0 H LEU A 80 -2.985 2.777 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.926 1.638 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.855 0.767 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.527 -0.128 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.915 2.804 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.296 2.371 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.023 2.039 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.811 0.692 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.952 2.055 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.454 0.364 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.618 1.491 -8.263 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.771 0.047 -5.272 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.769 -1.005 -5.114 1.00 0.00 C ATOM 1258 C LEU A 81 -6.890 -0.851 -6.138 1.00 0.00 C ATOM 1259 O LEU A 81 -7.487 -1.836 -6.572 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.348 -0.979 -3.699 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.355 -1.312 -2.586 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.959 -1.011 -1.223 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -4.928 -2.770 -2.671 1.00 0.00 C ATOM 0 H LEU A 81 -4.649 0.639 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.279 -1.964 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.762 0.012 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.176 -1.686 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.472 -0.687 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.237 -1.254 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.214 0.047 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.859 -1.610 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.221 -2.989 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.803 -3.412 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.454 -2.955 -3.635 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.172 0.392 -6.518 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.222 0.674 -7.488 1.00 0.00 C ATOM 1277 C GLN A 82 -7.778 0.299 -8.898 1.00 0.00 C ATOM 1278 O GLN A 82 -8.529 -0.319 -9.653 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.606 2.154 -7.440 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.090 2.406 -7.657 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.361 3.310 -8.844 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -9.959 3.015 -9.969 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -11.048 4.420 -8.598 1.00 0.00 N ATOM 0 H GLN A 82 -6.688 1.219 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.092 0.070 -7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.314 2.565 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.040 2.692 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.598 1.454 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.514 2.855 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.362 4.626 -7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.261 5.067 -9.357 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.552 0.675 -9.248 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.008 0.376 -10.568 1.00 0.00 C ATOM 1294 C GLN A 83 -5.742 -1.118 -10.722 1.00 0.00 C ATOM 1295 O GLN A 83 -6.117 -1.726 -11.724 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.718 1.166 -10.801 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.914 2.417 -11.643 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.374 2.262 -13.051 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -5.135 2.223 -14.019 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.055 2.171 -13.173 1.00 0.00 N ATOM 0 H GLN A 83 -5.917 1.187 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.746 0.672 -11.314 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.296 1.450 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.989 0.520 -11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.976 2.657 -11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.419 3.258 -11.158 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.462 2.208 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.634 2.064 -14.096 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.092 -1.703 -9.721 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.775 -3.127 -9.743 1.00 0.00 C ATOM 1311 C LEU A 84 -6.027 -3.974 -9.535 1.00 0.00 C ATOM 1312 O LEU A 84 -6.056 -5.152 -9.891 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.737 -3.455 -8.668 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.342 -2.883 -8.917 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.481 -3.011 -7.670 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.682 -3.582 -10.096 1.00 0.00 C ATOM 0 H LEU A 84 -4.774 -1.213 -8.885 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.362 -3.364 -10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.099 -3.083 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.658 -4.539 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.442 -1.824 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.492 -2.598 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.945 -2.464 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.388 -4.063 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.689 -3.162 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.595 -4.648 -9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.288 -3.438 -10.990 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.062 -3.370 -8.957 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.316 -4.074 -8.702 1.00 0.00 C ATOM 1330 C ALA A 85 -8.853 -4.731 -9.972 1.00 0.00 C ATOM 1331 O ALA A 85 -9.597 -5.709 -9.908 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.348 -3.116 -8.126 1.00 0.00 C ATOM 0 H ALA A 85 -7.057 -2.395 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.118 -4.863 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.279 -3.652 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.976 -2.700 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.530 -2.308 -8.835 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.471 -4.189 -11.125 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.914 -4.725 -12.408 1.00 0.00 C ATOM 1340 C ASP A 86 -8.567 -6.206 -12.532 1.00 0.00 C ATOM 1341 O ASP A 86 -9.266 -6.963 -13.205 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.279 -3.940 -13.558 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.298 -3.504 -14.593 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.868 -4.384 -15.273 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.527 -2.283 -14.724 1.00 0.00 O ATOM 0 H ASP A 86 -7.856 -3.379 -11.197 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.998 -4.622 -12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.772 -3.061 -13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.518 -4.556 -14.038 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.484 -6.613 -11.876 1.00 0.00 N ATOM 1351 CA ALA A 87 -7.046 -8.003 -11.913 1.00 0.00 C ATOM 1352 C ALA A 87 -7.638 -8.795 -10.752 1.00 0.00 C ATOM 1353 O ALA A 87 -8.165 -9.891 -10.941 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.527 -8.078 -11.885 1.00 0.00 C ATOM 0 H ALA A 87 -6.895 -6.000 -11.313 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.404 -8.447 -12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.214 -9.122 -11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.121 -7.554 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.156 -7.612 -10.972 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.547 -8.233 -9.551 1.00 0.00 N ATOM 1361 CA TYR A 88 -8.074 -8.888 -8.359 1.00 0.00 C ATOM 1362 C TYR A 88 -9.577 -9.113 -8.482 1.00 0.00 C ATOM 1363 O TYR A 88 -10.287 -8.314 -9.092 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.772 -8.050 -7.116 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.296 -7.922 -6.812 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.570 -9.006 -6.338 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.630 -6.718 -7.002 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.220 -8.894 -6.060 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.281 -6.597 -6.726 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.582 -7.688 -6.255 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.238 -7.572 -5.980 1.00 0.00 O ATOM 0 H TYR A 88 -7.114 -7.326 -9.377 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.586 -9.858 -8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.194 -7.054 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.273 -8.496 -6.257 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.067 -9.952 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.175 -5.862 -7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.669 -9.747 -5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.778 -5.654 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.942 -6.658 -6.172 1.00 0.00 H new ATOM 1381 N VAL A 89 -10.057 -10.207 -7.897 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.476 -10.536 -7.940 1.00 0.00 C ATOM 1383 C VAL A 89 -12.160 -10.193 -6.622 1.00 0.00 C ATOM 1384 O VAL A 89 -13.303 -9.733 -6.606 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.698 -12.029 -8.246 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -11.200 -12.369 -9.643 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -11.011 -12.898 -7.202 1.00 0.00 C ATOM 0 H VAL A 89 -9.483 -10.880 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.914 -9.939 -8.740 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.768 -12.232 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.366 -13.428 -9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.742 -11.774 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.135 -12.149 -9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.179 -13.949 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.941 -12.693 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.420 -12.675 -6.217 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.455 -10.417 -5.519 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.995 -10.130 -4.195 1.00 0.00 C ATOM 1399 C ASP A 90 -12.016 -8.628 -3.930 1.00 0.00 C ATOM 1400 O ASP A 90 -12.910 -8.120 -3.252 1.00 0.00 O ATOM 1401 CB ASP A 90 -11.168 -10.840 -3.120 1.00 0.00 C ATOM 1402 CG ASP A 90 -11.805 -12.138 -2.666 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -13.051 -12.213 -2.643 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -11.056 -13.081 -2.332 1.00 0.00 O ATOM 0 H ASP A 90 -10.508 -10.796 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.020 -10.500 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.170 -11.044 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.047 -10.178 -2.262 1.00 0.00 H new ATOM 1409 N LEU A 91 -11.028 -7.923 -4.469 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.933 -6.478 -4.291 1.00 0.00 C ATOM 1411 C LEU A 91 -11.804 -5.747 -5.306 1.00 0.00 C ATOM 1412 O LEU A 91 -11.454 -5.648 -6.483 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.480 -6.020 -4.423 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.572 -6.402 -3.252 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.127 -6.515 -3.712 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.697 -5.383 -2.129 1.00 0.00 C ATOM 0 H LEU A 91 -10.281 -8.328 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.292 -6.236 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.064 -6.441 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.465 -4.936 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.888 -7.374 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.496 -6.787 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.050 -7.281 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.798 -5.558 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.045 -5.669 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.406 -4.399 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.729 -5.350 -1.781 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.940 -5.234 -4.844 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.862 -4.509 -5.710 1.00 0.00 C ATOM 1430 C ARG A 92 -15.056 -3.983 -4.915 1.00 0.00 C ATOM 1431 O ARG A 92 -15.363 -2.791 -4.960 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.342 -5.408 -6.853 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.190 -4.778 -8.228 1.00 0.00 C ATOM 1434 CD ARG A 92 -14.043 -5.835 -9.311 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.265 -6.616 -9.484 1.00 0.00 N ATOM 1436 CZ ARG A 92 -16.327 -6.189 -10.166 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -16.319 -4.992 -10.738 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -17.398 -6.963 -10.275 1.00 0.00 N ATOM 0 H ARG A 92 -13.244 -5.307 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.330 -3.657 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.783 -6.343 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.390 -5.659 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.058 -4.154 -8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.318 -4.124 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.784 -5.354 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.219 -6.502 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.308 -7.542 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.497 -4.393 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.135 -4.670 -11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.408 -7.884 -9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.212 -6.637 -10.797 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.749 -4.866 -4.171 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.912 -4.477 -3.366 1.00 0.00 C ATOM 1454 C PRO A 93 -16.550 -3.461 -2.287 1.00 0.00 C ATOM 1455 O PRO A 93 -17.322 -2.548 -1.996 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.375 -5.792 -2.727 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.757 -6.867 -3.552 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.459 -6.305 -4.054 1.00 0.00 C ATOM 0 HA PRO A 93 -17.679 -3.996 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.053 -5.859 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.462 -5.870 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.590 -7.767 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.408 -7.147 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.640 -6.497 -3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.174 -6.739 -5.012 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.370 -3.629 -1.698 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.903 -2.728 -0.651 1.00 0.00 C ATOM 1468 C TRP A 94 -14.753 -1.307 -1.184 1.00 0.00 C ATOM 1469 O TRP A 94 -15.270 -0.356 -0.598 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.567 -3.218 -0.087 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.022 -2.343 1.001 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.644 -2.003 2.169 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.744 -1.696 1.023 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.831 -1.185 2.915 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.659 -0.981 2.233 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.664 -1.652 0.137 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.537 -0.232 2.578 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.551 -0.907 0.480 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.495 -0.207 1.693 1.00 0.00 C ATOM 0 H TRP A 94 -14.720 -4.381 -1.928 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.646 -2.721 0.147 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.694 -4.229 0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.839 -3.275 -0.896 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.631 -2.330 2.463 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.062 -0.793 3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.698 -2.190 -0.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.491 0.310 3.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.711 -0.864 -0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.610 0.364 1.934 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.042 -1.170 -2.300 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.822 0.136 -2.914 1.00 0.00 C ATOM 1492 C LEU A 95 -15.146 0.839 -3.195 1.00 0.00 C ATOM 1493 O LEU A 95 -15.350 1.984 -2.790 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.028 -0.017 -4.212 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.662 -0.691 -4.060 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.358 -1.565 -5.268 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.572 0.353 -3.868 1.00 0.00 C ATOM 0 H LEU A 95 -13.608 -1.948 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.251 0.746 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.624 -0.594 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.882 0.971 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.689 -1.328 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.383 -2.035 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.123 -2.336 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.350 -0.951 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.607 -0.143 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.546 1.015 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.781 0.936 -2.971 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.043 0.147 -3.889 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.348 0.705 -4.223 1.00 0.00 C ATOM 1511 C LEU A 96 -18.129 1.058 -2.961 1.00 0.00 C ATOM 1512 O LEU A 96 -18.945 1.978 -2.962 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.148 -0.285 -5.073 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.891 -0.201 -6.578 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.242 -1.519 -7.252 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.686 0.942 -7.190 1.00 0.00 C ATOM 0 H LEU A 96 -15.890 -0.802 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.188 1.618 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.920 -1.296 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.210 -0.121 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.831 -0.006 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.053 -1.442 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.629 -2.317 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.295 -1.744 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.492 0.988 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.750 0.777 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.387 1.882 -6.727 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.873 0.318 -1.887 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.553 0.552 -0.618 1.00 0.00 C ATOM 1530 C GLU A 97 -18.016 1.807 0.065 1.00 0.00 C ATOM 1531 O GLU A 97 -18.751 2.771 0.282 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.389 -0.659 0.303 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.656 -1.485 0.452 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.268 -1.374 1.835 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.651 -1.873 2.799 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -21.364 -0.788 1.954 1.00 0.00 O ATOM 0 H GLU A 97 -17.200 -0.448 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.613 0.701 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.594 -1.295 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.071 -0.316 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.385 -1.161 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.430 -2.530 0.242 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.729 1.788 0.402 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.096 2.924 1.060 1.00 0.00 C ATOM 1545 C ILE A 98 -16.202 4.186 0.210 1.00 0.00 C ATOM 1546 O ILE A 98 -16.177 5.301 0.731 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.611 2.644 1.362 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.854 2.322 0.073 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.479 1.503 2.359 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.431 2.834 0.064 1.00 0.00 C ATOM 0 H ILE A 98 -16.106 0.999 0.230 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.627 3.079 1.999 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.172 3.539 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.844 1.242 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.392 2.752 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.424 1.317 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.986 1.770 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.932 0.603 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.955 2.570 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.434 3.918 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.877 2.384 0.888 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.321 4.005 -1.102 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.428 5.139 -2.000 1.00 0.00 C ATOM 1564 C GLY A 99 -15.184 6.006 -1.992 1.00 0.00 C ATOM 1565 O GLY A 99 -15.235 7.173 -1.605 1.00 0.00 O ATOM 0 H GLY A 99 -16.345 3.093 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.610 4.780 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.290 5.743 -1.716 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.064 5.432 -2.418 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.800 6.158 -2.457 1.00 0.00 C ATOM 1571 C PHE A 100 -12.902 7.379 -3.366 1.00 0.00 C ATOM 1572 O PHE A 100 -12.821 8.517 -2.904 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.676 5.240 -2.941 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.314 5.653 -2.460 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.889 5.328 -1.181 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.460 6.366 -3.286 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.636 5.706 -0.736 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.206 6.747 -2.846 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.794 6.416 -1.569 1.00 0.00 C ATOM 0 H PHE A 100 -14.006 4.466 -2.741 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.573 6.498 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.878 4.223 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.677 5.221 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.544 4.774 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.778 6.627 -4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.316 5.446 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.549 7.302 -3.499 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.815 6.712 -1.223 1.00 0.00 H new ATOM 1589 N SER A 101 -13.079 7.135 -4.660 1.00 0.00 N ATOM 1590 CA SER A 101 -13.191 8.214 -5.634 1.00 0.00 C ATOM 1591 C SER A 101 -14.653 8.505 -5.958 1.00 0.00 C ATOM 1592 O SER A 101 -15.375 7.636 -6.446 1.00 0.00 O ATOM 1593 CB SER A 101 -12.434 7.856 -6.913 1.00 0.00 C ATOM 1594 OG SER A 101 -12.791 8.722 -7.978 1.00 0.00 O ATOM 0 H SER A 101 -13.148 6.199 -5.059 1.00 0.00 H new ATOM 0 HA SER A 101 -12.749 9.110 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.361 7.919 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.651 6.825 -7.191 1.00 0.00 H new ATOM 0 HG SER A 101 -12.292 8.473 -8.784 1.00 0.00 H new ATOM 1600 N SER A 102 -15.082 9.733 -5.685 1.00 0.00 N ATOM 1601 CA SER A 102 -16.458 10.138 -5.948 1.00 0.00 C ATOM 1602 C SER A 102 -16.572 10.827 -7.304 1.00 0.00 C ATOM 1603 O SER A 102 -16.812 12.032 -7.383 1.00 0.00 O ATOM 1604 CB SER A 102 -16.956 11.071 -4.843 1.00 0.00 C ATOM 1605 OG SER A 102 -18.372 11.111 -4.808 1.00 0.00 O ATOM 0 H SER A 102 -14.497 10.465 -5.282 1.00 0.00 H new ATOM 0 HA SER A 102 -17.079 9.242 -5.964 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.575 10.734 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 102 -16.565 12.075 -5.007 1.00 0.00 H new ATOM 0 HG SER A 102 -18.665 11.713 -4.092 1.00 0.00 H new ATOM 1611 N GLY A 103 -16.396 10.054 -8.371 1.00 0.00 N ATOM 1612 CA GLY A 103 -16.483 10.608 -9.710 1.00 0.00 C ATOM 1613 C GLY A 103 -17.297 9.735 -10.649 1.00 0.00 C ATOM 1614 O GLY A 103 -17.314 8.512 -10.500 1.00 0.00 O ATOM 0 H GLY A 103 -16.195 9.055 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.932 11.600 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.478 10.732 -10.114 1.00 0.00 H new ATOM 1618 N PRO A 104 -17.986 10.336 -11.632 1.00 0.00 N ATOM 1619 CA PRO A 104 -18.804 9.591 -12.594 1.00 0.00 C ATOM 1620 C PRO A 104 -17.955 8.801 -13.585 1.00 0.00 C ATOM 1621 O PRO A 104 -18.230 7.633 -13.859 1.00 0.00 O ATOM 1622 CB PRO A 104 -19.589 10.688 -13.316 1.00 0.00 C ATOM 1623 CG PRO A 104 -18.732 11.901 -13.206 1.00 0.00 C ATOM 1624 CD PRO A 104 -18.023 11.790 -11.883 1.00 0.00 C ATOM 0 HA PRO A 104 -19.435 8.849 -12.106 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -19.771 10.425 -14.358 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -20.563 10.848 -12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -18.018 11.950 -14.028 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.333 12.809 -13.251 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -17.020 12.215 -11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.558 12.320 -11.095 1.00 0.00 H new ATOM 1632 N SER A 105 -16.924 9.447 -14.119 1.00 0.00 N ATOM 1633 CA SER A 105 -16.035 8.806 -15.079 1.00 0.00 C ATOM 1634 C SER A 105 -14.579 9.153 -14.789 1.00 0.00 C ATOM 1635 O SER A 105 -14.247 10.308 -14.520 1.00 0.00 O ATOM 1636 CB SER A 105 -16.398 9.229 -16.505 1.00 0.00 C ATOM 1637 OG SER A 105 -17.718 8.832 -16.834 1.00 0.00 O ATOM 0 H SER A 105 -16.684 10.414 -13.903 1.00 0.00 H new ATOM 0 HA SER A 105 -16.158 7.727 -14.985 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.305 10.311 -16.602 1.00 0.00 H new ATOM 0 HB3 SER A 105 -15.695 8.785 -17.210 1.00 0.00 H new ATOM 0 HG SER A 105 -17.926 9.115 -17.749 1.00 0.00 H new ATOM 1643 N SER A 106 -13.712 8.147 -14.847 1.00 0.00 N ATOM 1644 CA SER A 106 -12.291 8.347 -14.590 1.00 0.00 C ATOM 1645 C SER A 106 -11.496 7.085 -14.910 1.00 0.00 C ATOM 1646 O SER A 106 -11.796 6.005 -14.402 1.00 0.00 O ATOM 1647 CB SER A 106 -12.067 8.748 -13.130 1.00 0.00 C ATOM 1648 OG SER A 106 -12.176 10.150 -12.963 1.00 0.00 O ATOM 0 H SER A 106 -13.969 7.185 -15.070 1.00 0.00 H new ATOM 0 HA SER A 106 -11.940 9.150 -15.239 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.797 8.245 -12.496 1.00 0.00 H new ATOM 0 HB3 SER A 106 -11.081 8.416 -12.806 1.00 0.00 H new ATOM 0 HG SER A 106 -12.765 10.517 -13.655 1.00 0.00 H new ATOM 1654 N GLY A 107 -10.483 7.230 -15.758 1.00 0.00 N ATOM 1655 CA GLY A 107 -9.660 6.094 -16.131 1.00 0.00 C ATOM 1656 C GLY A 107 -8.558 6.469 -17.101 1.00 0.00 C ATOM 1657 O GLY A 107 -8.646 7.560 -17.706 1.00 0.00 O ATOM 1658 OXT GLY A 107 -7.608 5.675 -17.257 1.00 0.00 O ATOM 0 H GLY A 107 -10.217 8.113 -16.193 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.218 5.660 -15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.289 5.326 -16.580 1.00 0.00 H new TER 1662 GLY A 107