USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot 110:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl 168:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 LYS NZ :NH3+ -175:sc= -2.23 (180deg=-0.182) USER MOD Set 2.2: A 95 GLN : amide:sc= -2.31 K(o=-4.5,f=-1) USER MOD Set 3.1: A 62 THR OG1 : rot 75:sc= 1.08 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.00902 (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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 76:sc= 0.967 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 28 CYS SG : rot 63:sc= -1.43 USER MOD Single : A 32 SER OG : rot 62:sc= 1.24 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.88) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-3!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0568 (180deg=-0.332) USER MOD Single : A 64 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.15) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -0.453 (180deg=-0.692) USER MOD Single : A 74 THR OG1 : rot -62:sc= 0.0311 USER MOD Single : A 75 ASN : amide:sc= -0.581 K(o=-0.58,f=-3.5!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 15:sc=-0.00422 USER MOD Single : A 84 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.5) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.96) USER MOD Single : A 101 ASN : amide:sc= -0.163 K(o=-0.16,f=-3.7!) USER MOD Single : A 103 SER OG : rot 42:sc= 0.0297 USER MOD Single : A 105 LYS NZ :NH3+ -125:sc= 0.0404 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -44:sc= 1.07 USER MOD Single : A 107 SER OG : rot 9:sc= 1.13 USER MOD Single : A 110 SER OG : rot 180:sc= 0.00374 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.142 -5.648 0.191 1.00 0.00 N ATOM 2 CA GLY A 1 44.728 -5.832 0.460 1.00 0.00 C ATOM 3 C GLY A 1 44.132 -6.981 -0.328 1.00 0.00 C ATOM 4 O GLY A 1 44.490 -7.201 -1.485 1.00 0.00 O ATOM 0 H1 GLY A 1 46.699 -6.034 0.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 46.396 -6.144 -0.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.346 -4.634 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 44.585 -6.013 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.193 -4.914 0.218 1.00 0.00 H new ATOM 8 N SER A 2 43.222 -7.719 0.300 1.00 0.00 N ATOM 9 CA SER A 2 42.579 -8.856 -0.348 1.00 0.00 C ATOM 10 C SER A 2 41.624 -8.389 -1.442 1.00 0.00 C ATOM 11 O SER A 2 40.923 -7.390 -1.285 1.00 0.00 O ATOM 12 CB SER A 2 41.822 -9.696 0.682 1.00 0.00 C ATOM 13 OG SER A 2 40.846 -8.920 1.355 1.00 0.00 O ATOM 0 H SER A 2 42.913 -7.550 1.257 1.00 0.00 H new ATOM 0 HA SER A 2 43.356 -9.469 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 2 41.342 -10.539 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.524 -10.110 1.406 1.00 0.00 H new ATOM 0 HG SER A 2 40.375 -9.480 2.007 1.00 0.00 H new ATOM 19 N SER A 3 41.603 -9.121 -2.552 1.00 0.00 N ATOM 20 CA SER A 3 40.737 -8.781 -3.675 1.00 0.00 C ATOM 21 C SER A 3 39.580 -9.769 -3.788 1.00 0.00 C ATOM 22 O SER A 3 39.697 -10.927 -3.389 1.00 0.00 O ATOM 23 CB SER A 3 41.539 -8.765 -4.978 1.00 0.00 C ATOM 24 OG SER A 3 42.304 -7.578 -5.091 1.00 0.00 O ATOM 0 H SER A 3 42.175 -9.953 -2.697 1.00 0.00 H new ATOM 0 HA SER A 3 40.326 -7.787 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 42.199 -9.632 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 40.861 -8.846 -5.827 1.00 0.00 H new ATOM 0 HG SER A 3 42.809 -7.593 -5.931 1.00 0.00 H new ATOM 30 N GLY A 4 38.463 -9.303 -4.337 1.00 0.00 N ATOM 31 CA GLY A 4 37.300 -10.158 -4.493 1.00 0.00 C ATOM 32 C GLY A 4 36.002 -9.375 -4.504 1.00 0.00 C ATOM 33 O GLY A 4 35.395 -9.152 -3.457 1.00 0.00 O ATOM 0 H GLY A 4 38.342 -8.349 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.389 -10.721 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.276 -10.885 -3.681 1.00 0.00 H new ATOM 37 N SER A 5 35.576 -8.956 -5.692 1.00 0.00 N ATOM 38 CA SER A 5 34.344 -8.188 -5.834 1.00 0.00 C ATOM 39 C SER A 5 33.600 -8.587 -7.105 1.00 0.00 C ATOM 40 O SER A 5 34.213 -8.882 -8.130 1.00 0.00 O ATOM 41 CB SER A 5 34.652 -6.690 -5.859 1.00 0.00 C ATOM 42 OG SER A 5 35.368 -6.297 -4.701 1.00 0.00 O ATOM 0 H SER A 5 36.065 -9.135 -6.569 1.00 0.00 H new ATOM 0 HA SER A 5 33.707 -8.406 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 5 35.234 -6.450 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.722 -6.125 -5.924 1.00 0.00 H new ATOM 0 HG SER A 5 35.554 -5.336 -4.742 1.00 0.00 H new ATOM 48 N SER A 6 32.273 -8.594 -7.028 1.00 0.00 N ATOM 49 CA SER A 6 31.443 -8.960 -8.170 1.00 0.00 C ATOM 50 C SER A 6 30.078 -8.284 -8.088 1.00 0.00 C ATOM 51 O SER A 6 29.615 -7.924 -7.006 1.00 0.00 O ATOM 52 CB SER A 6 31.270 -10.478 -8.235 1.00 0.00 C ATOM 53 OG SER A 6 30.991 -10.903 -9.558 1.00 0.00 O ATOM 0 H SER A 6 31.750 -8.350 -6.187 1.00 0.00 H new ATOM 0 HA SER A 6 31.944 -8.619 -9.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.176 -10.966 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.460 -10.784 -7.573 1.00 0.00 H new ATOM 0 HG SER A 6 30.886 -11.877 -9.573 1.00 0.00 H new ATOM 59 N GLY A 7 29.437 -8.116 -9.241 1.00 0.00 N ATOM 60 CA GLY A 7 28.131 -7.484 -9.279 1.00 0.00 C ATOM 61 C GLY A 7 27.859 -6.795 -10.601 1.00 0.00 C ATOM 62 O GLY A 7 28.388 -5.716 -10.867 1.00 0.00 O ATOM 0 H GLY A 7 29.799 -8.406 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.362 -8.235 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.060 -6.755 -8.472 1.00 0.00 H new ATOM 66 N MET A 8 27.032 -7.420 -11.433 1.00 0.00 N ATOM 67 CA MET A 8 26.691 -6.859 -12.735 1.00 0.00 C ATOM 68 C MET A 8 25.180 -6.720 -12.889 1.00 0.00 C ATOM 69 O MET A 8 24.487 -7.687 -13.204 1.00 0.00 O ATOM 70 CB MET A 8 27.250 -7.739 -13.855 1.00 0.00 C ATOM 71 CG MET A 8 28.767 -7.837 -13.852 1.00 0.00 C ATOM 72 SD MET A 8 29.368 -9.331 -14.662 1.00 0.00 S ATOM 73 CE MET A 8 29.193 -10.527 -13.341 1.00 0.00 C ATOM 0 H MET A 8 26.586 -8.314 -11.229 1.00 0.00 H new ATOM 0 HA MET A 8 27.138 -5.867 -12.803 1.00 0.00 H new ATOM 0 HB2 MET A 8 26.829 -8.740 -13.763 1.00 0.00 H new ATOM 0 HB3 MET A 8 26.922 -7.342 -14.816 1.00 0.00 H new ATOM 0 HG2 MET A 8 29.185 -6.964 -14.353 1.00 0.00 H new ATOM 0 HG3 MET A 8 29.126 -7.816 -12.823 1.00 0.00 H new ATOM 0 HE1 MET A 8 29.526 -11.505 -13.689 1.00 0.00 H new ATOM 0 HE2 MET A 8 29.799 -10.219 -12.489 1.00 0.00 H new ATOM 0 HE3 MET A 8 28.147 -10.586 -13.040 1.00 0.00 H new ATOM 83 N ASP A 9 24.676 -5.511 -12.663 1.00 0.00 N ATOM 84 CA ASP A 9 23.247 -5.246 -12.776 1.00 0.00 C ATOM 85 C ASP A 9 22.969 -4.229 -13.879 1.00 0.00 C ATOM 86 O ASP A 9 23.159 -3.028 -13.692 1.00 0.00 O ATOM 87 CB ASP A 9 22.694 -4.736 -11.445 1.00 0.00 C ATOM 88 CG ASP A 9 21.211 -5.012 -11.290 1.00 0.00 C ATOM 89 OD1 ASP A 9 20.434 -4.591 -12.172 1.00 0.00 O ATOM 90 OD2 ASP A 9 20.828 -5.649 -10.286 1.00 0.00 O ATOM 0 H ASP A 9 25.236 -4.700 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 9 22.749 -6.181 -13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 9 23.236 -5.208 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 9 22.871 -3.663 -11.369 1.00 0.00 H new ATOM 95 N ALA A 10 22.520 -4.720 -15.030 1.00 0.00 N ATOM 96 CA ALA A 10 22.215 -3.854 -16.163 1.00 0.00 C ATOM 97 C ALA A 10 20.761 -4.007 -16.594 1.00 0.00 C ATOM 98 O ALA A 10 20.463 -4.089 -17.786 1.00 0.00 O ATOM 99 CB ALA A 10 23.148 -4.159 -17.325 1.00 0.00 C ATOM 0 H ALA A 10 22.359 -5.712 -15.202 1.00 0.00 H new ATOM 0 HA ALA A 10 22.367 -2.821 -15.851 1.00 0.00 H new ATOM 0 HB1 ALA A 10 22.910 -3.506 -18.164 1.00 0.00 H new ATOM 0 HB2 ALA A 10 24.180 -3.992 -17.017 1.00 0.00 H new ATOM 0 HB3 ALA A 10 23.024 -5.199 -17.628 1.00 0.00 H new ATOM 105 N ILE A 11 19.859 -4.044 -15.619 1.00 0.00 N ATOM 106 CA ILE A 11 18.436 -4.186 -15.899 1.00 0.00 C ATOM 107 C ILE A 11 17.668 -2.933 -15.494 1.00 0.00 C ATOM 108 O ILE A 11 17.663 -2.544 -14.325 1.00 0.00 O ATOM 109 CB ILE A 11 17.836 -5.401 -15.166 1.00 0.00 C ATOM 110 CG1 ILE A 11 18.558 -6.684 -15.583 1.00 0.00 C ATOM 111 CG2 ILE A 11 16.346 -5.508 -15.450 1.00 0.00 C ATOM 112 CD1 ILE A 11 18.489 -7.781 -14.545 1.00 0.00 C ATOM 0 H ILE A 11 20.089 -3.978 -14.627 1.00 0.00 H new ATOM 0 HA ILE A 11 18.340 -4.337 -16.974 1.00 0.00 H new ATOM 0 HB ILE A 11 17.972 -5.263 -14.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 18.125 -7.049 -16.514 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.604 -6.453 -15.787 1.00 0.00 H new ATOM 0 HG21 ILE A 11 15.937 -6.371 -14.925 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.844 -4.603 -15.107 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.187 -5.626 -16.522 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.022 -8.660 -14.908 1.00 0.00 H new ATOM 0 HD12 ILE A 11 18.949 -7.435 -13.619 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.447 -8.040 -14.358 1.00 0.00 H new ATOM 124 N LEU A 12 17.019 -2.303 -16.468 1.00 0.00 N ATOM 125 CA LEU A 12 16.245 -1.093 -16.214 1.00 0.00 C ATOM 126 C LEU A 12 14.751 -1.359 -16.370 1.00 0.00 C ATOM 127 O LEU A 12 14.305 -1.863 -17.400 1.00 0.00 O ATOM 128 CB LEU A 12 16.678 0.022 -17.166 1.00 0.00 C ATOM 129 CG LEU A 12 15.636 1.105 -17.451 1.00 0.00 C ATOM 130 CD1 LEU A 12 15.506 2.045 -16.263 1.00 0.00 C ATOM 131 CD2 LEU A 12 16.001 1.879 -18.709 1.00 0.00 C ATOM 0 H LEU A 12 17.014 -2.610 -17.441 1.00 0.00 H new ATOM 0 HA LEU A 12 16.434 -0.780 -15.187 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.566 0.500 -16.753 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.971 -0.430 -18.113 1.00 0.00 H new ATOM 0 HG LEU A 12 14.672 0.622 -17.613 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.760 2.809 -16.483 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.197 1.480 -15.384 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.467 2.521 -16.069 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.249 2.645 -18.896 1.00 0.00 H new ATOM 0 HD22 LEU A 12 16.974 2.351 -18.576 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.042 1.196 -19.557 1.00 0.00 H new ATOM 143 N ASN A 13 13.983 -1.016 -15.341 1.00 0.00 N ATOM 144 CA ASN A 13 12.539 -1.217 -15.365 1.00 0.00 C ATOM 145 C ASN A 13 11.806 0.119 -15.444 1.00 0.00 C ATOM 146 O ASN A 13 11.762 0.874 -14.472 1.00 0.00 O ATOM 147 CB ASN A 13 12.089 -1.985 -14.121 1.00 0.00 C ATOM 148 CG ASN A 13 10.805 -2.758 -14.351 1.00 0.00 C ATOM 149 OD1 ASN A 13 10.397 -2.979 -15.492 1.00 0.00 O ATOM 150 ND2 ASN A 13 10.161 -3.172 -13.266 1.00 0.00 N ATOM 0 H ASN A 13 14.336 -0.598 -14.480 1.00 0.00 H new ATOM 0 HA ASN A 13 12.293 -1.800 -16.252 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.876 -2.676 -13.819 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.946 -1.285 -13.298 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.291 -3.696 -13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.536 -2.966 -12.340 1.00 0.00 H new ATOM 157 N TYR A 14 11.231 0.404 -16.607 1.00 0.00 N ATOM 158 CA TYR A 14 10.501 1.649 -16.815 1.00 0.00 C ATOM 159 C TYR A 14 9.004 1.387 -16.944 1.00 0.00 C ATOM 160 O TYR A 14 8.561 0.685 -17.853 1.00 0.00 O ATOM 161 CB TYR A 14 11.015 2.364 -18.065 1.00 0.00 C ATOM 162 CG TYR A 14 10.435 3.747 -18.253 1.00 0.00 C ATOM 163 CD1 TYR A 14 9.080 3.927 -18.502 1.00 0.00 C ATOM 164 CD2 TYR A 14 11.242 4.876 -18.181 1.00 0.00 C ATOM 165 CE1 TYR A 14 8.546 5.189 -18.675 1.00 0.00 C ATOM 166 CE2 TYR A 14 10.717 6.142 -18.351 1.00 0.00 C ATOM 167 CZ TYR A 14 9.368 6.294 -18.599 1.00 0.00 C ATOM 168 OH TYR A 14 8.840 7.553 -18.769 1.00 0.00 O ATOM 0 H TYR A 14 11.256 -0.211 -17.421 1.00 0.00 H new ATOM 0 HA TYR A 14 10.666 2.287 -15.947 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.101 2.439 -18.010 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.782 1.759 -18.941 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.433 3.065 -18.561 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.299 4.761 -17.989 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.490 5.310 -18.869 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.359 7.008 -18.290 1.00 0.00 H new ATOM 0 HH TYR A 14 9.552 8.221 -18.684 1.00 0.00 H new ATOM 178 N ARG A 15 8.229 1.958 -16.027 1.00 0.00 N ATOM 179 CA ARG A 15 6.781 1.788 -16.037 1.00 0.00 C ATOM 180 C ARG A 15 6.076 3.105 -15.728 1.00 0.00 C ATOM 181 O ARG A 15 6.701 4.063 -15.274 1.00 0.00 O ATOM 182 CB ARG A 15 6.365 0.723 -15.020 1.00 0.00 C ATOM 183 CG ARG A 15 4.998 0.119 -15.295 1.00 0.00 C ATOM 184 CD ARG A 15 4.811 -1.197 -14.556 1.00 0.00 C ATOM 185 NE ARG A 15 4.272 -0.999 -13.213 1.00 0.00 N ATOM 186 CZ ARG A 15 3.038 -0.573 -12.973 1.00 0.00 C ATOM 187 NH1 ARG A 15 2.218 -0.302 -13.979 1.00 0.00 N ATOM 188 NH2 ARG A 15 2.620 -0.418 -11.723 1.00 0.00 N ATOM 0 H ARG A 15 8.580 2.542 -15.268 1.00 0.00 H new ATOM 0 HA ARG A 15 6.485 1.464 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.110 -0.073 -15.015 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.364 1.165 -14.024 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.221 0.821 -14.992 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.880 -0.044 -16.366 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.139 -1.840 -15.125 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.768 -1.715 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 15 4.877 -1.199 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.535 -0.421 -14.941 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.270 0.025 -13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.247 -0.626 -10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.672 -0.091 -11.539 1.00 0.00 H new ATOM 202 N SER A 16 4.771 3.145 -15.978 1.00 0.00 N ATOM 203 CA SER A 16 3.982 4.346 -15.731 1.00 0.00 C ATOM 204 C SER A 16 2.499 4.006 -15.611 1.00 0.00 C ATOM 205 O SER A 16 2.039 2.995 -16.140 1.00 0.00 O ATOM 206 CB SER A 16 4.194 5.362 -16.855 1.00 0.00 C ATOM 207 OG SER A 16 3.511 4.970 -18.033 1.00 0.00 O ATOM 0 H SER A 16 4.238 2.360 -16.351 1.00 0.00 H new ATOM 0 HA SER A 16 4.315 4.782 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.840 6.342 -16.535 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.259 5.460 -17.064 1.00 0.00 H new ATOM 0 HG SER A 16 3.661 5.637 -18.735 1.00 0.00 H new ATOM 213 N GLU A 17 1.758 4.859 -14.911 1.00 0.00 N ATOM 214 CA GLU A 17 0.327 4.649 -14.721 1.00 0.00 C ATOM 215 C GLU A 17 -0.444 5.952 -14.912 1.00 0.00 C ATOM 216 O GLU A 17 0.110 7.042 -14.763 1.00 0.00 O ATOM 217 CB GLU A 17 0.054 4.082 -13.327 1.00 0.00 C ATOM 218 CG GLU A 17 0.800 2.790 -13.038 1.00 0.00 C ATOM 219 CD GLU A 17 0.940 2.517 -11.553 1.00 0.00 C ATOM 220 OE1 GLU A 17 -0.075 2.616 -10.833 1.00 0.00 O ATOM 221 OE2 GLU A 17 2.066 2.203 -11.112 1.00 0.00 O ATOM 0 H GLU A 17 2.124 5.701 -14.467 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.012 3.933 -15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.331 4.826 -12.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.016 3.906 -13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.275 1.959 -13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.791 2.838 -13.490 1.00 0.00 H new ATOM 228 N ASP A 18 -1.725 5.831 -15.243 1.00 0.00 N ATOM 229 CA ASP A 18 -2.573 6.998 -15.455 1.00 0.00 C ATOM 230 C ASP A 18 -3.113 7.525 -14.129 1.00 0.00 C ATOM 231 O ASP A 18 -2.996 8.712 -13.825 1.00 0.00 O ATOM 232 CB ASP A 18 -3.733 6.650 -16.390 1.00 0.00 C ATOM 233 CG ASP A 18 -4.723 5.695 -15.752 1.00 0.00 C ATOM 234 OD1 ASP A 18 -4.419 4.486 -15.677 1.00 0.00 O ATOM 235 OD2 ASP A 18 -5.803 6.157 -15.328 1.00 0.00 O ATOM 0 H ASP A 18 -2.199 4.937 -15.370 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.967 7.778 -15.916 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.250 7.565 -16.679 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.339 6.204 -17.303 1.00 0.00 H new ATOM 240 N THR A 19 -3.708 6.633 -13.341 1.00 0.00 N ATOM 241 CA THR A 19 -4.268 7.008 -12.049 1.00 0.00 C ATOM 242 C THR A 19 -3.883 6.002 -10.971 1.00 0.00 C ATOM 243 O THR A 19 -3.784 4.804 -11.234 1.00 0.00 O ATOM 244 CB THR A 19 -5.803 7.113 -12.112 1.00 0.00 C ATOM 245 OG1 THR A 19 -6.193 7.953 -13.204 1.00 0.00 O ATOM 246 CG2 THR A 19 -6.361 7.672 -10.812 1.00 0.00 C ATOM 0 H THR A 19 -3.814 5.646 -13.576 1.00 0.00 H new ATOM 0 HA THR A 19 -3.854 7.984 -11.796 1.00 0.00 H new ATOM 0 HB THR A 19 -6.207 6.112 -12.262 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.094 7.462 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.447 7.737 -10.880 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.088 7.015 -9.986 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.948 8.666 -10.636 1.00 0.00 H new ATOM 254 N GLU A 20 -3.668 6.497 -9.756 1.00 0.00 N ATOM 255 CA GLU A 20 -3.293 5.640 -8.637 1.00 0.00 C ATOM 256 C GLU A 20 -4.521 4.961 -8.037 1.00 0.00 C ATOM 257 O GLU A 20 -5.122 5.468 -7.089 1.00 0.00 O ATOM 258 CB GLU A 20 -2.569 6.453 -7.563 1.00 0.00 C ATOM 259 CG GLU A 20 -1.262 7.064 -8.039 1.00 0.00 C ATOM 260 CD GLU A 20 -0.427 7.617 -6.900 1.00 0.00 C ATOM 261 OE1 GLU A 20 -0.839 8.634 -6.303 1.00 0.00 O ATOM 262 OE2 GLU A 20 0.637 7.034 -6.606 1.00 0.00 O ATOM 0 H GLU A 20 -3.747 7.487 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.620 4.869 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.228 7.249 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.369 5.810 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.686 6.309 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.476 7.863 -8.749 1.00 0.00 H new ATOM 269 N ASP A 21 -4.887 3.813 -8.595 1.00 0.00 N ATOM 270 CA ASP A 21 -6.043 3.064 -8.115 1.00 0.00 C ATOM 271 C ASP A 21 -5.629 2.045 -7.058 1.00 0.00 C ATOM 272 O ASP A 21 -4.674 1.292 -7.248 1.00 0.00 O ATOM 273 CB ASP A 21 -6.738 2.357 -9.279 1.00 0.00 C ATOM 274 CG ASP A 21 -8.228 2.191 -9.050 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.883 3.182 -8.662 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.739 1.071 -9.259 1.00 0.00 O ATOM 0 H ASP A 21 -4.400 3.380 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.739 3.769 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.575 2.925 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.285 1.377 -9.428 1.00 0.00 H new ATOM 281 N TYR A 22 -6.354 2.027 -5.945 1.00 0.00 N ATOM 282 CA TYR A 22 -6.061 1.103 -4.857 1.00 0.00 C ATOM 283 C TYR A 22 -6.022 -0.337 -5.360 1.00 0.00 C ATOM 284 O TYR A 22 -5.241 -1.156 -4.874 1.00 0.00 O ATOM 285 CB TYR A 22 -7.106 1.239 -3.748 1.00 0.00 C ATOM 286 CG TYR A 22 -6.883 2.435 -2.850 1.00 0.00 C ATOM 287 CD1 TYR A 22 -7.208 3.717 -3.275 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.350 2.282 -1.576 1.00 0.00 C ATOM 289 CE1 TYR A 22 -7.005 4.813 -2.458 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.145 3.372 -0.752 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.474 4.635 -1.198 1.00 0.00 C ATOM 292 OH TYR A 22 -6.273 5.724 -0.381 1.00 0.00 O ATOM 0 H TYR A 22 -7.149 2.642 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.080 1.355 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.095 1.314 -4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.100 0.333 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.626 3.860 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.092 1.294 -1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.261 5.803 -2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.730 3.236 0.236 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.894 5.427 0.472 1.00 0.00 H new ATOM 302 N TYR A 23 -6.869 -0.638 -6.337 1.00 0.00 N ATOM 303 CA TYR A 23 -6.934 -1.979 -6.907 1.00 0.00 C ATOM 304 C TYR A 23 -5.728 -2.250 -7.801 1.00 0.00 C ATOM 305 O TYR A 23 -5.312 -3.396 -7.972 1.00 0.00 O ATOM 306 CB TYR A 23 -8.226 -2.154 -7.707 1.00 0.00 C ATOM 307 CG TYR A 23 -9.436 -2.444 -6.848 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.746 -3.744 -6.466 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.269 -1.419 -6.418 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.851 -4.013 -5.682 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.375 -1.679 -5.632 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.662 -2.978 -5.267 1.00 0.00 C ATOM 313 OH TYR A 23 -12.764 -3.241 -4.485 1.00 0.00 O ATOM 0 H TYR A 23 -7.521 0.028 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.923 -2.696 -6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.410 -1.249 -8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.094 -2.967 -8.421 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.112 -4.557 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.048 -0.401 -6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.079 -5.029 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.011 -0.870 -5.305 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.227 -2.402 -4.279 1.00 0.00 H new ATOM 323 N THR A 24 -5.170 -1.186 -8.370 1.00 0.00 N ATOM 324 CA THR A 24 -4.013 -1.307 -9.247 1.00 0.00 C ATOM 325 C THR A 24 -2.742 -1.568 -8.447 1.00 0.00 C ATOM 326 O THR A 24 -1.908 -2.386 -8.836 1.00 0.00 O ATOM 327 CB THR A 24 -3.818 -0.039 -10.099 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.963 0.170 -10.934 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.570 -0.151 -10.960 1.00 0.00 C ATOM 0 H THR A 24 -5.501 -0.230 -8.239 1.00 0.00 H new ATOM 0 HA THR A 24 -4.204 -2.153 -9.907 1.00 0.00 H new ATOM 0 HB THR A 24 -3.699 0.810 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.833 0.979 -11.472 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.454 0.757 -11.552 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.697 -0.281 -10.320 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.663 -1.009 -11.626 1.00 0.00 H new ATOM 337 N LEU A 25 -2.599 -0.868 -7.327 1.00 0.00 N ATOM 338 CA LEU A 25 -1.429 -1.024 -6.470 1.00 0.00 C ATOM 339 C LEU A 25 -1.098 -2.499 -6.265 1.00 0.00 C ATOM 340 O LEU A 25 0.033 -2.931 -6.496 1.00 0.00 O ATOM 341 CB LEU A 25 -1.668 -0.350 -5.118 1.00 0.00 C ATOM 342 CG LEU A 25 -2.267 1.056 -5.166 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.134 1.739 -3.814 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.598 1.885 -6.253 1.00 0.00 C ATOM 0 H LEU A 25 -3.279 -0.186 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.582 -0.545 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.330 -0.985 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.718 -0.301 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.327 0.970 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.566 2.738 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.661 1.156 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.080 1.813 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.037 2.882 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.531 1.963 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.746 1.405 -7.220 1.00 0.00 H new ATOM 356 N LEU A 26 -2.090 -3.268 -5.831 1.00 0.00 N ATOM 357 CA LEU A 26 -1.906 -4.695 -5.596 1.00 0.00 C ATOM 358 C LEU A 26 -2.271 -5.503 -6.837 1.00 0.00 C ATOM 359 O LEU A 26 -2.031 -6.708 -6.899 1.00 0.00 O ATOM 360 CB LEU A 26 -2.756 -5.151 -4.409 1.00 0.00 C ATOM 361 CG LEU A 26 -2.699 -4.266 -3.163 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.822 -4.624 -2.202 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.346 -4.396 -2.478 1.00 0.00 C ATOM 0 H LEU A 26 -3.031 -2.927 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.854 -4.867 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.794 -5.218 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.444 -6.157 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.830 -3.229 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.765 -3.984 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.783 -4.478 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.724 -5.667 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.323 -3.759 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.186 -5.433 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.559 -4.089 -3.166 1.00 0.00 H new ATOM 375 N GLY A 27 -2.850 -4.829 -7.827 1.00 0.00 N ATOM 376 CA GLY A 27 -3.237 -5.500 -9.054 1.00 0.00 C ATOM 377 C GLY A 27 -4.391 -6.461 -8.851 1.00 0.00 C ATOM 378 O GLY A 27 -4.481 -7.486 -9.528 1.00 0.00 O ATOM 0 H GLY A 27 -3.058 -3.831 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.516 -4.755 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.381 -6.044 -9.452 1.00 0.00 H new ATOM 382 N CYS A 28 -5.275 -6.132 -7.916 1.00 0.00 N ATOM 383 CA CYS A 28 -6.429 -6.975 -7.623 1.00 0.00 C ATOM 384 C CYS A 28 -7.713 -6.340 -8.146 1.00 0.00 C ATOM 385 O CYS A 28 -7.685 -5.273 -8.759 1.00 0.00 O ATOM 386 CB CYS A 28 -6.541 -7.217 -6.117 1.00 0.00 C ATOM 387 SG CYS A 28 -7.354 -5.878 -5.213 1.00 0.00 S ATOM 0 H CYS A 28 -5.215 -5.287 -7.347 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.287 -7.931 -8.127 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.092 -8.142 -5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.541 -7.363 -5.708 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.581 -5.759 -5.625 1.00 0.00 H new ATOM 393 N ASP A 29 -8.837 -7.004 -7.901 1.00 0.00 N ATOM 394 CA ASP A 29 -10.133 -6.505 -8.348 1.00 0.00 C ATOM 395 C ASP A 29 -11.219 -6.821 -7.324 1.00 0.00 C ATOM 396 O ASP A 29 -10.951 -7.430 -6.289 1.00 0.00 O ATOM 397 CB ASP A 29 -10.498 -7.114 -9.702 1.00 0.00 C ATOM 398 CG ASP A 29 -10.245 -8.608 -9.753 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.336 -9.262 -8.692 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.957 -9.123 -10.853 1.00 0.00 O ATOM 0 H ASP A 29 -8.877 -7.889 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.062 -5.422 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.550 -6.919 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.920 -6.624 -10.485 1.00 0.00 H new ATOM 405 N GLU A 30 -12.445 -6.402 -7.622 1.00 0.00 N ATOM 406 CA GLU A 30 -13.571 -6.640 -6.726 1.00 0.00 C ATOM 407 C GLU A 30 -13.838 -8.134 -6.572 1.00 0.00 C ATOM 408 O GLU A 30 -14.226 -8.600 -5.500 1.00 0.00 O ATOM 409 CB GLU A 30 -14.825 -5.937 -7.250 1.00 0.00 C ATOM 410 CG GLU A 30 -15.212 -6.353 -8.659 1.00 0.00 C ATOM 411 CD GLU A 30 -16.523 -5.739 -9.109 1.00 0.00 C ATOM 412 OE1 GLU A 30 -16.526 -4.543 -9.470 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.546 -6.455 -9.101 1.00 0.00 O ATOM 0 H GLU A 30 -12.684 -5.897 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.317 -6.232 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.657 -6.146 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.662 -4.859 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.422 -6.060 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.289 -7.439 -8.705 1.00 0.00 H new ATOM 420 N LEU A 31 -13.629 -8.880 -7.651 1.00 0.00 N ATOM 421 CA LEU A 31 -13.848 -10.323 -7.638 1.00 0.00 C ATOM 422 C LEU A 31 -12.821 -11.021 -6.752 1.00 0.00 C ATOM 423 O LEU A 31 -13.066 -12.116 -6.245 1.00 0.00 O ATOM 424 CB LEU A 31 -13.775 -10.882 -9.060 1.00 0.00 C ATOM 425 CG LEU A 31 -14.482 -10.063 -10.140 1.00 0.00 C ATOM 426 CD1 LEU A 31 -13.530 -9.043 -10.745 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.044 -10.976 -11.220 1.00 0.00 C ATOM 0 H LEU A 31 -13.308 -8.510 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.841 -10.512 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.725 -10.981 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.200 -11.886 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.311 -9.527 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.051 -8.469 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.176 -8.369 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.680 -9.559 -11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.544 -10.376 -11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.232 -11.540 -11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.760 -11.668 -10.776 1.00 0.00 H new ATOM 439 N SER A 32 -11.672 -10.379 -6.567 1.00 0.00 N ATOM 440 CA SER A 32 -10.607 -10.939 -5.743 1.00 0.00 C ATOM 441 C SER A 32 -10.939 -10.803 -4.260 1.00 0.00 C ATOM 442 O SER A 32 -11.497 -9.794 -3.828 1.00 0.00 O ATOM 443 CB SER A 32 -9.279 -10.243 -6.046 1.00 0.00 C ATOM 444 OG SER A 32 -8.759 -10.658 -7.297 1.00 0.00 O ATOM 0 H SER A 32 -11.455 -9.471 -6.977 1.00 0.00 H new ATOM 0 HA SER A 32 -10.516 -11.999 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.424 -9.163 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.560 -10.466 -5.258 1.00 0.00 H new ATOM 0 HG SER A 32 -9.387 -10.416 -8.009 1.00 0.00 H new ATOM 450 N SER A 33 -10.593 -11.827 -3.486 1.00 0.00 N ATOM 451 CA SER A 33 -10.857 -11.825 -2.052 1.00 0.00 C ATOM 452 C SER A 33 -9.609 -11.427 -1.270 1.00 0.00 C ATOM 453 O SER A 33 -8.488 -11.547 -1.765 1.00 0.00 O ATOM 454 CB SER A 33 -11.339 -13.204 -1.599 1.00 0.00 C ATOM 455 OG SER A 33 -12.130 -13.108 -0.427 1.00 0.00 O ATOM 0 H SER A 33 -10.129 -12.669 -3.828 1.00 0.00 H new ATOM 0 HA SER A 33 -11.638 -11.092 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.919 -13.670 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.481 -13.849 -1.410 1.00 0.00 H new ATOM 0 HG SER A 33 -12.427 -14.002 -0.159 1.00 0.00 H new ATOM 461 N VAL A 34 -9.812 -10.953 -0.045 1.00 0.00 N ATOM 462 CA VAL A 34 -8.704 -10.538 0.807 1.00 0.00 C ATOM 463 C VAL A 34 -7.547 -11.528 0.725 1.00 0.00 C ATOM 464 O VAL A 34 -6.382 -11.143 0.817 1.00 0.00 O ATOM 465 CB VAL A 34 -9.146 -10.404 2.277 1.00 0.00 C ATOM 466 CG1 VAL A 34 -10.049 -11.563 2.671 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.934 -10.326 3.192 1.00 0.00 C ATOM 0 H VAL A 34 -10.733 -10.847 0.380 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.373 -9.565 0.444 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.714 -9.480 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.351 -11.451 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.934 -11.567 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.510 -12.502 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.264 -10.232 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.337 -11.231 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.331 -9.459 2.923 1.00 0.00 H new ATOM 477 N GLU A 35 -7.877 -12.803 0.550 1.00 0.00 N ATOM 478 CA GLU A 35 -6.865 -13.848 0.455 1.00 0.00 C ATOM 479 C GLU A 35 -6.092 -13.739 -0.857 1.00 0.00 C ATOM 480 O GLU A 35 -4.862 -13.781 -0.869 1.00 0.00 O ATOM 481 CB GLU A 35 -7.513 -15.229 0.564 1.00 0.00 C ATOM 482 CG GLU A 35 -7.788 -15.661 1.995 1.00 0.00 C ATOM 483 CD GLU A 35 -6.525 -15.757 2.828 1.00 0.00 C ATOM 484 OE1 GLU A 35 -5.680 -16.626 2.527 1.00 0.00 O ATOM 485 OE2 GLU A 35 -6.380 -14.963 3.781 1.00 0.00 O ATOM 0 H GLU A 35 -8.837 -13.137 0.471 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.166 -13.717 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.450 -15.226 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.863 -15.964 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.472 -14.951 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.289 -16.629 1.988 1.00 0.00 H new ATOM 492 N GLN A 36 -6.823 -13.601 -1.958 1.00 0.00 N ATOM 493 CA GLN A 36 -6.207 -13.487 -3.274 1.00 0.00 C ATOM 494 C GLN A 36 -5.402 -12.197 -3.389 1.00 0.00 C ATOM 495 O GLN A 36 -4.346 -12.168 -4.022 1.00 0.00 O ATOM 496 CB GLN A 36 -7.276 -13.535 -4.367 1.00 0.00 C ATOM 497 CG GLN A 36 -6.755 -14.028 -5.707 1.00 0.00 C ATOM 498 CD GLN A 36 -7.824 -14.720 -6.530 1.00 0.00 C ATOM 499 OE1 GLN A 36 -8.651 -15.460 -5.998 1.00 0.00 O ATOM 500 NE2 GLN A 36 -7.812 -14.482 -7.836 1.00 0.00 N ATOM 0 H GLN A 36 -7.842 -13.565 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.528 -14.330 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.088 -14.185 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.698 -12.538 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.357 -13.184 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.928 -14.718 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.108 -13.861 -8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.507 -14.920 -8.441 1.00 0.00 H new ATOM 509 N ILE A 37 -5.908 -11.133 -2.775 1.00 0.00 N ATOM 510 CA ILE A 37 -5.235 -9.840 -2.808 1.00 0.00 C ATOM 511 C ILE A 37 -3.878 -9.909 -2.117 1.00 0.00 C ATOM 512 O ILE A 37 -2.871 -9.446 -2.655 1.00 0.00 O ATOM 513 CB ILE A 37 -6.086 -8.746 -2.137 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.459 -8.654 -2.806 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.369 -7.405 -2.200 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.462 -7.841 -2.018 1.00 0.00 C ATOM 0 H ILE A 37 -6.782 -11.141 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.092 -9.585 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.231 -9.010 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.343 -8.212 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.852 -9.660 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.983 -6.642 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.413 -7.479 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.197 -7.133 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.412 -7.819 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.607 -8.294 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.090 -6.824 -1.896 1.00 0.00 H new ATOM 528 N LEU A 38 -3.857 -10.491 -0.923 1.00 0.00 N ATOM 529 CA LEU A 38 -2.622 -10.623 -0.158 1.00 0.00 C ATOM 530 C LEU A 38 -1.501 -11.188 -1.025 1.00 0.00 C ATOM 531 O LEU A 38 -0.460 -10.556 -1.200 1.00 0.00 O ATOM 532 CB LEU A 38 -2.846 -11.525 1.057 1.00 0.00 C ATOM 533 CG LEU A 38 -3.333 -10.830 2.328 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.032 -11.822 3.245 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.172 -10.160 3.049 1.00 0.00 C ATOM 0 H LEU A 38 -4.681 -10.879 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.327 -9.630 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.571 -12.292 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.910 -12.036 1.282 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.051 -10.060 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.372 -11.309 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.889 -12.254 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.337 -12.615 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.538 -9.670 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.429 -10.911 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.716 -9.418 2.393 1.00 0.00 H new ATOM 547 N ALA A 39 -1.724 -12.380 -1.569 1.00 0.00 N ATOM 548 CA ALA A 39 -0.736 -13.028 -2.421 1.00 0.00 C ATOM 549 C ALA A 39 -0.090 -12.026 -3.373 1.00 0.00 C ATOM 550 O ALA A 39 1.131 -11.882 -3.401 1.00 0.00 O ATOM 551 CB ALA A 39 -1.377 -14.164 -3.204 1.00 0.00 C ATOM 0 H ALA A 39 -2.581 -12.916 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 39 0.045 -13.438 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.627 -14.639 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.785 -14.899 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.179 -13.769 -3.827 1.00 0.00 H new ATOM 557 N GLU A 40 -0.919 -11.337 -4.150 1.00 0.00 N ATOM 558 CA GLU A 40 -0.427 -10.349 -5.104 1.00 0.00 C ATOM 559 C GLU A 40 0.391 -9.272 -4.398 1.00 0.00 C ATOM 560 O GLU A 40 1.437 -8.848 -4.891 1.00 0.00 O ATOM 561 CB GLU A 40 -1.596 -9.707 -5.856 1.00 0.00 C ATOM 562 CG GLU A 40 -2.386 -10.689 -6.704 1.00 0.00 C ATOM 563 CD GLU A 40 -1.801 -10.863 -8.092 1.00 0.00 C ATOM 564 OE1 GLU A 40 -0.611 -11.231 -8.192 1.00 0.00 O ATOM 565 OE2 GLU A 40 -2.531 -10.632 -9.078 1.00 0.00 O ATOM 0 H GLU A 40 -1.933 -11.444 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 40 0.218 -10.861 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.267 -9.239 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.213 -8.913 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.414 -11.656 -6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.416 -10.343 -6.789 1.00 0.00 H new ATOM 572 N PHE A 41 -0.093 -8.832 -3.241 1.00 0.00 N ATOM 573 CA PHE A 41 0.592 -7.804 -2.468 1.00 0.00 C ATOM 574 C PHE A 41 1.975 -8.280 -2.033 1.00 0.00 C ATOM 575 O PHE A 41 2.922 -7.496 -1.965 1.00 0.00 O ATOM 576 CB PHE A 41 -0.237 -7.422 -1.240 1.00 0.00 C ATOM 577 CG PHE A 41 0.588 -6.906 -0.096 1.00 0.00 C ATOM 578 CD1 PHE A 41 1.060 -5.604 -0.096 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.893 -7.725 0.980 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.819 -5.126 0.955 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.651 -7.252 2.035 1.00 0.00 C ATOM 582 CZ PHE A 41 2.116 -5.952 2.022 1.00 0.00 C ATOM 0 H PHE A 41 -0.957 -9.172 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 41 0.713 -6.927 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.964 -6.662 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.801 -8.293 -0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.832 -4.954 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.535 -8.744 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.180 -4.108 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.879 -7.899 2.869 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.711 -5.582 2.844 1.00 0.00 H new ATOM 592 N LYS A 42 2.084 -9.571 -1.740 1.00 0.00 N ATOM 593 CA LYS A 42 3.350 -10.155 -1.313 1.00 0.00 C ATOM 594 C LYS A 42 4.363 -10.154 -2.454 1.00 0.00 C ATOM 595 O LYS A 42 5.495 -9.700 -2.291 1.00 0.00 O ATOM 596 CB LYS A 42 3.133 -11.584 -0.811 1.00 0.00 C ATOM 597 CG LYS A 42 2.365 -11.660 0.497 1.00 0.00 C ATOM 598 CD LYS A 42 2.301 -13.083 1.025 1.00 0.00 C ATOM 599 CE LYS A 42 1.410 -13.959 0.157 1.00 0.00 C ATOM 600 NZ LYS A 42 1.389 -15.371 0.630 1.00 0.00 N ATOM 0 H LYS A 42 1.310 -10.234 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 42 3.745 -9.547 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.595 -12.149 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.102 -12.066 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.842 -11.017 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.354 -11.280 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.305 -13.505 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.922 -13.077 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.396 -13.560 0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.763 -13.927 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.771 -15.935 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.353 -15.760 0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.028 -15.405 1.605 1.00 0.00 H new ATOM 614 N VAL A 43 3.947 -10.664 -3.609 1.00 0.00 N ATOM 615 CA VAL A 43 4.816 -10.719 -4.778 1.00 0.00 C ATOM 616 C VAL A 43 5.126 -9.320 -5.299 1.00 0.00 C ATOM 617 O VAL A 43 6.249 -9.036 -5.716 1.00 0.00 O ATOM 618 CB VAL A 43 4.183 -11.548 -5.910 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.200 -13.029 -5.561 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.764 -11.074 -6.188 1.00 0.00 C ATOM 0 H VAL A 43 3.013 -11.045 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 43 5.742 -11.199 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 43 4.773 -11.405 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.749 -13.599 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.229 -13.357 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.634 -13.193 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.332 -11.671 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.160 -11.186 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.782 -10.025 -6.485 1.00 0.00 H new ATOM 630 N ARG A 44 4.122 -8.449 -5.272 1.00 0.00 N ATOM 631 CA ARG A 44 4.286 -7.079 -5.743 1.00 0.00 C ATOM 632 C ARG A 44 5.166 -6.278 -4.788 1.00 0.00 C ATOM 633 O ARG A 44 5.883 -5.368 -5.204 1.00 0.00 O ATOM 634 CB ARG A 44 2.923 -6.400 -5.888 1.00 0.00 C ATOM 635 CG ARG A 44 2.276 -6.618 -7.246 1.00 0.00 C ATOM 636 CD ARG A 44 0.843 -6.108 -7.268 1.00 0.00 C ATOM 637 NE ARG A 44 0.397 -5.789 -8.621 1.00 0.00 N ATOM 638 CZ ARG A 44 -0.075 -6.693 -9.472 1.00 0.00 C ATOM 639 NH1 ARG A 44 -0.163 -7.966 -9.111 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.462 -6.325 -10.687 1.00 0.00 N ATOM 0 H ARG A 44 3.187 -8.668 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 44 4.773 -7.112 -6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.255 -6.775 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.040 -5.330 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.857 -6.107 -8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.289 -7.680 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.183 -6.861 -6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.765 -5.220 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 44 0.451 -4.818 -8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.132 -8.253 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.526 -8.658 -9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.397 -5.347 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.824 -7.020 -11.339 1.00 0.00 H new ATOM 654 N ALA A 45 5.106 -6.623 -3.506 1.00 0.00 N ATOM 655 CA ALA A 45 5.898 -5.937 -2.492 1.00 0.00 C ATOM 656 C ALA A 45 7.311 -6.508 -2.421 1.00 0.00 C ATOM 657 O ALA A 45 8.269 -5.786 -2.140 1.00 0.00 O ATOM 658 CB ALA A 45 5.218 -6.036 -1.135 1.00 0.00 C ATOM 0 H ALA A 45 4.517 -7.373 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 45 5.972 -4.886 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.820 -5.520 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.232 -5.575 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.114 -7.084 -0.856 1.00 0.00 H new ATOM 664 N LEU A 46 7.433 -7.806 -2.675 1.00 0.00 N ATOM 665 CA LEU A 46 8.730 -8.474 -2.639 1.00 0.00 C ATOM 666 C LEU A 46 9.577 -8.082 -3.845 1.00 0.00 C ATOM 667 O LEU A 46 10.774 -7.828 -3.718 1.00 0.00 O ATOM 668 CB LEU A 46 8.543 -9.991 -2.604 1.00 0.00 C ATOM 669 CG LEU A 46 8.195 -10.593 -1.242 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.657 -12.007 -1.404 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.412 -10.585 -0.328 1.00 0.00 C ATOM 0 H LEU A 46 6.650 -8.417 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 46 9.250 -8.157 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.754 -10.256 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.460 -10.458 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 46 7.418 -9.981 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.415 -12.419 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.759 -11.986 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.412 -12.631 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.145 -11.017 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.211 -11.173 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.753 -9.560 -0.185 1.00 0.00 H new ATOM 683 N GLU A 47 8.947 -8.035 -5.015 1.00 0.00 N ATOM 684 CA GLU A 47 9.644 -7.673 -6.244 1.00 0.00 C ATOM 685 C GLU A 47 10.274 -6.288 -6.124 1.00 0.00 C ATOM 686 O GLU A 47 11.335 -6.026 -6.693 1.00 0.00 O ATOM 687 CB GLU A 47 8.681 -7.706 -7.432 1.00 0.00 C ATOM 688 CG GLU A 47 8.297 -9.111 -7.865 1.00 0.00 C ATOM 689 CD GLU A 47 9.359 -9.767 -8.725 1.00 0.00 C ATOM 690 OE1 GLU A 47 9.396 -9.483 -9.941 1.00 0.00 O ATOM 691 OE2 GLU A 47 10.153 -10.564 -8.183 1.00 0.00 O ATOM 0 H GLU A 47 7.956 -8.243 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 47 10.438 -8.402 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.777 -7.155 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.139 -7.187 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.121 -9.724 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.359 -9.073 -8.419 1.00 0.00 H new ATOM 698 N CYS A 48 9.615 -5.407 -5.381 1.00 0.00 N ATOM 699 CA CYS A 48 10.108 -4.048 -5.187 1.00 0.00 C ATOM 700 C CYS A 48 10.260 -3.732 -3.702 1.00 0.00 C ATOM 701 O CYS A 48 9.958 -2.623 -3.259 1.00 0.00 O ATOM 702 CB CYS A 48 9.162 -3.041 -5.841 1.00 0.00 C ATOM 703 SG CYS A 48 9.494 -2.746 -7.593 1.00 0.00 S ATOM 0 H CYS A 48 8.737 -5.609 -4.902 1.00 0.00 H new ATOM 0 HA CYS A 48 11.088 -3.973 -5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.138 -3.397 -5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.230 -2.094 -5.305 1.00 0.00 H new ATOM 0 HG CYS A 48 8.641 -1.882 -8.057 1.00 0.00 H new ATOM 709 N HIS A 49 10.729 -4.713 -2.938 1.00 0.00 N ATOM 710 CA HIS A 49 10.920 -4.540 -1.503 1.00 0.00 C ATOM 711 C HIS A 49 12.112 -3.629 -1.219 1.00 0.00 C ATOM 712 O HIS A 49 13.145 -3.692 -1.886 1.00 0.00 O ATOM 713 CB HIS A 49 11.128 -5.896 -0.827 1.00 0.00 C ATOM 714 CG HIS A 49 10.633 -5.942 0.586 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.422 -5.620 1.670 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.422 -6.275 1.089 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.717 -5.754 2.780 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.500 -6.150 2.455 1.00 0.00 N ATOM 0 H HIS A 49 10.984 -5.636 -3.289 1.00 0.00 H new ATOM 0 HA HIS A 49 10.023 -4.073 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.618 -6.664 -1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.190 -6.140 -0.840 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.555 -6.582 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.075 -5.571 3.782 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.741 -6.333 3.111 1.00 0.00 H new ATOM 726 N PRO A 50 11.966 -2.761 -0.207 1.00 0.00 N ATOM 727 CA PRO A 50 13.019 -1.821 0.187 1.00 0.00 C ATOM 728 C PRO A 50 14.211 -2.522 0.830 1.00 0.00 C ATOM 729 O PRO A 50 15.357 -2.305 0.438 1.00 0.00 O ATOM 730 CB PRO A 50 12.322 -0.912 1.202 1.00 0.00 C ATOM 731 CG PRO A 50 11.215 -1.742 1.755 1.00 0.00 C ATOM 732 CD PRO A 50 10.762 -2.631 0.630 1.00 0.00 C ATOM 0 HA PRO A 50 13.431 -1.288 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.009 -0.594 1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.940 -0.008 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.557 -2.332 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.397 -1.115 2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.420 -3.599 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.934 -2.189 0.077 1.00 0.00 H new ATOM 740 N ASP A 51 13.933 -3.364 1.819 1.00 0.00 N ATOM 741 CA ASP A 51 14.982 -4.099 2.516 1.00 0.00 C ATOM 742 C ASP A 51 15.756 -4.990 1.549 1.00 0.00 C ATOM 743 O ASP A 51 16.987 -4.994 1.541 1.00 0.00 O ATOM 744 CB ASP A 51 14.382 -4.946 3.639 1.00 0.00 C ATOM 745 CG ASP A 51 15.288 -6.090 4.049 1.00 0.00 C ATOM 746 OD1 ASP A 51 16.467 -5.830 4.365 1.00 0.00 O ATOM 747 OD2 ASP A 51 14.816 -7.247 4.055 1.00 0.00 O ATOM 0 H ASP A 51 12.989 -3.555 2.156 1.00 0.00 H new ATOM 0 HA ASP A 51 15.673 -3.375 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.188 -4.312 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.421 -5.346 3.315 1.00 0.00 H new ATOM 752 N LYS A 52 15.026 -5.744 0.735 1.00 0.00 N ATOM 753 CA LYS A 52 15.642 -6.640 -0.237 1.00 0.00 C ATOM 754 C LYS A 52 16.470 -5.856 -1.251 1.00 0.00 C ATOM 755 O LYS A 52 17.581 -6.255 -1.601 1.00 0.00 O ATOM 756 CB LYS A 52 14.569 -7.456 -0.962 1.00 0.00 C ATOM 757 CG LYS A 52 15.044 -8.830 -1.401 1.00 0.00 C ATOM 758 CD LYS A 52 15.737 -8.775 -2.752 1.00 0.00 C ATOM 759 CE LYS A 52 16.252 -10.144 -3.170 1.00 0.00 C ATOM 760 NZ LYS A 52 17.545 -10.476 -2.510 1.00 0.00 N ATOM 0 H LYS A 52 14.006 -5.753 0.729 1.00 0.00 H new ATOM 0 HA LYS A 52 16.304 -7.318 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.707 -7.571 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.231 -6.901 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.729 -9.234 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.194 -9.510 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.042 -8.401 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.568 -8.070 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.511 -10.903 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.380 -10.169 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.862 -11.416 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.260 -9.766 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.418 -10.478 -1.478 1.00 0.00 H new ATOM 774 N HIS A 53 15.923 -4.738 -1.717 1.00 0.00 N ATOM 775 CA HIS A 53 16.613 -3.897 -2.689 1.00 0.00 C ATOM 776 C HIS A 53 16.865 -2.504 -2.119 1.00 0.00 C ATOM 777 O HIS A 53 16.187 -1.535 -2.461 1.00 0.00 O ATOM 778 CB HIS A 53 15.795 -3.793 -3.977 1.00 0.00 C ATOM 779 CG HIS A 53 15.428 -5.123 -4.561 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.298 -5.876 -5.321 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.278 -5.833 -4.492 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.697 -6.992 -5.696 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.471 -6.990 -5.205 1.00 0.00 N ATOM 0 H HIS A 53 15.005 -4.393 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 53 17.574 -4.358 -2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.884 -3.230 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.363 -3.226 -4.714 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.376 -5.543 -3.973 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.134 -7.773 -6.301 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.780 -7.729 -5.335 1.00 0.00 H new ATOM 791 N PRO A 54 17.864 -2.399 -1.230 1.00 0.00 N ATOM 792 CA PRO A 54 18.228 -1.130 -0.594 1.00 0.00 C ATOM 793 C PRO A 54 18.869 -0.153 -1.575 1.00 0.00 C ATOM 794 O PRO A 54 18.871 1.056 -1.348 1.00 0.00 O ATOM 795 CB PRO A 54 19.236 -1.547 0.480 1.00 0.00 C ATOM 796 CG PRO A 54 19.817 -2.824 -0.022 1.00 0.00 C ATOM 797 CD PRO A 54 18.714 -3.513 -0.776 1.00 0.00 C ATOM 0 HA PRO A 54 17.357 -0.607 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.006 -0.788 0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.751 -1.685 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.673 -2.635 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.171 -3.442 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.101 -4.091 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.163 -4.205 -0.139 1.00 0.00 H new ATOM 805 N GLU A 55 19.411 -0.687 -2.665 1.00 0.00 N ATOM 806 CA GLU A 55 20.055 0.139 -3.680 1.00 0.00 C ATOM 807 C GLU A 55 19.027 0.981 -4.429 1.00 0.00 C ATOM 808 O GLU A 55 19.381 1.880 -5.190 1.00 0.00 O ATOM 809 CB GLU A 55 20.829 -0.738 -4.667 1.00 0.00 C ATOM 810 CG GLU A 55 21.928 -1.562 -4.017 1.00 0.00 C ATOM 811 CD GLU A 55 23.151 -0.734 -3.673 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.990 -0.514 -4.571 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.270 -0.308 -2.505 1.00 0.00 O ATOM 0 H GLU A 55 19.417 -1.687 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 55 20.752 0.810 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.131 -1.409 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.269 -0.103 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.541 -2.026 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.218 -2.369 -4.689 1.00 0.00 H new ATOM 820 N ASN A 56 17.751 0.683 -4.206 1.00 0.00 N ATOM 821 CA ASN A 56 16.670 1.411 -4.860 1.00 0.00 C ATOM 822 C ASN A 56 15.853 2.201 -3.843 1.00 0.00 C ATOM 823 O ASN A 56 15.321 1.653 -2.877 1.00 0.00 O ATOM 824 CB ASN A 56 15.761 0.443 -5.620 1.00 0.00 C ATOM 825 CG ASN A 56 16.512 -0.349 -6.674 1.00 0.00 C ATOM 826 OD1 ASN A 56 17.566 0.074 -7.150 1.00 0.00 O ATOM 827 ND2 ASN A 56 15.971 -1.504 -7.043 1.00 0.00 N ATOM 0 H ASN A 56 17.440 -0.058 -3.577 1.00 0.00 H new ATOM 0 HA ASN A 56 17.114 2.112 -5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.297 -0.246 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.955 1.003 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.431 -2.080 -7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.096 -1.815 -6.621 1.00 0.00 H new ATOM 834 N PRO A 57 15.748 3.520 -4.063 1.00 0.00 N ATOM 835 CA PRO A 57 14.996 4.413 -3.178 1.00 0.00 C ATOM 836 C PRO A 57 13.491 4.181 -3.261 1.00 0.00 C ATOM 837 O PRO A 57 12.811 4.073 -2.240 1.00 0.00 O ATOM 838 CB PRO A 57 15.351 5.809 -3.697 1.00 0.00 C ATOM 839 CG PRO A 57 15.716 5.600 -5.126 1.00 0.00 C ATOM 840 CD PRO A 57 16.355 4.240 -5.195 1.00 0.00 C ATOM 0 HA PRO A 57 15.250 4.255 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.508 6.494 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.179 6.241 -3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.835 5.650 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.404 6.372 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.146 3.746 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.439 4.300 -5.098 1.00 0.00 H new ATOM 848 N LYS A 58 12.976 4.103 -4.483 1.00 0.00 N ATOM 849 CA LYS A 58 11.552 3.881 -4.701 1.00 0.00 C ATOM 850 C LYS A 58 11.092 2.593 -4.026 1.00 0.00 C ATOM 851 O LYS A 58 9.913 2.432 -3.714 1.00 0.00 O ATOM 852 CB LYS A 58 11.247 3.821 -6.200 1.00 0.00 C ATOM 853 CG LYS A 58 11.681 2.522 -6.857 1.00 0.00 C ATOM 854 CD LYS A 58 13.124 2.591 -7.330 1.00 0.00 C ATOM 855 CE LYS A 58 13.544 1.307 -8.028 1.00 0.00 C ATOM 856 NZ LYS A 58 12.698 1.022 -9.220 1.00 0.00 N ATOM 0 H LYS A 58 13.524 4.190 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 58 11.008 4.716 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.176 3.954 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.744 4.654 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.568 1.700 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.030 2.306 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.245 3.433 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.779 2.774 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.588 1.384 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.477 0.474 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.167 0.311 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.774 0.659 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.562 1.897 -9.766 1.00 0.00 H new ATOM 870 N ALA A 59 12.031 1.680 -3.803 1.00 0.00 N ATOM 871 CA ALA A 59 11.723 0.408 -3.162 1.00 0.00 C ATOM 872 C ALA A 59 10.934 0.619 -1.873 1.00 0.00 C ATOM 873 O ALA A 59 10.152 -0.239 -1.465 1.00 0.00 O ATOM 874 CB ALA A 59 13.003 -0.365 -2.878 1.00 0.00 C ATOM 0 H ALA A 59 13.012 1.798 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 59 11.104 -0.174 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.757 -1.313 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.528 -0.557 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.642 0.220 -2.217 1.00 0.00 H new ATOM 880 N VAL A 60 11.147 1.767 -1.237 1.00 0.00 N ATOM 881 CA VAL A 60 10.455 2.091 0.005 1.00 0.00 C ATOM 882 C VAL A 60 9.065 2.653 -0.270 1.00 0.00 C ATOM 883 O VAL A 60 8.075 2.191 0.297 1.00 0.00 O ATOM 884 CB VAL A 60 11.252 3.110 0.841 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.466 3.517 2.078 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.609 2.539 1.225 1.00 0.00 C ATOM 0 H VAL A 60 11.792 2.487 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 60 10.363 1.162 0.568 1.00 0.00 H new ATOM 0 HB VAL A 60 11.417 4.001 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.045 4.237 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.521 3.969 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.268 2.636 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.159 3.272 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.469 1.632 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 60 13.173 2.303 0.323 1.00 0.00 H new ATOM 896 N GLU A 61 8.998 3.651 -1.145 1.00 0.00 N ATOM 897 CA GLU A 61 7.728 4.276 -1.495 1.00 0.00 C ATOM 898 C GLU A 61 6.753 3.247 -2.061 1.00 0.00 C ATOM 899 O GLU A 61 5.557 3.281 -1.769 1.00 0.00 O ATOM 900 CB GLU A 61 7.949 5.398 -2.512 1.00 0.00 C ATOM 901 CG GLU A 61 8.296 6.734 -1.878 1.00 0.00 C ATOM 902 CD GLU A 61 8.292 7.873 -2.879 1.00 0.00 C ATOM 903 OE1 GLU A 61 8.838 7.692 -3.987 1.00 0.00 O ATOM 904 OE2 GLU A 61 7.741 8.946 -2.553 1.00 0.00 O ATOM 0 H GLU A 61 9.808 4.044 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 61 7.298 4.698 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.751 5.109 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.048 5.514 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.582 6.951 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.280 6.667 -1.413 1.00 0.00 H new ATOM 911 N THR A 62 7.274 2.331 -2.873 1.00 0.00 N ATOM 912 CA THR A 62 6.451 1.293 -3.481 1.00 0.00 C ATOM 913 C THR A 62 5.818 0.401 -2.419 1.00 0.00 C ATOM 914 O THR A 62 4.667 -0.016 -2.550 1.00 0.00 O ATOM 915 CB THR A 62 7.273 0.419 -4.447 1.00 0.00 C ATOM 916 OG1 THR A 62 8.007 1.249 -5.354 1.00 0.00 O ATOM 917 CG2 THR A 62 6.368 -0.520 -5.230 1.00 0.00 C ATOM 0 H THR A 62 8.262 2.288 -3.124 1.00 0.00 H new ATOM 0 HA THR A 62 5.665 1.800 -4.041 1.00 0.00 H new ATOM 0 HB THR A 62 7.969 -0.179 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.772 1.646 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.971 -1.127 -5.906 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.832 -1.170 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.651 0.063 -5.808 1.00 0.00 H new ATOM 925 N PHE A 63 6.577 0.111 -1.368 1.00 0.00 N ATOM 926 CA PHE A 63 6.090 -0.733 -0.283 1.00 0.00 C ATOM 927 C PHE A 63 5.107 0.030 0.600 1.00 0.00 C ATOM 928 O PHE A 63 4.188 -0.556 1.172 1.00 0.00 O ATOM 929 CB PHE A 63 7.260 -1.243 0.560 1.00 0.00 C ATOM 930 CG PHE A 63 6.868 -2.298 1.555 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.207 -3.444 1.144 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.161 -2.143 2.900 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.844 -4.417 2.057 1.00 0.00 C ATOM 934 CE2 PHE A 63 6.802 -3.113 3.817 1.00 0.00 C ATOM 935 CZ PHE A 63 6.141 -4.250 3.396 1.00 0.00 C ATOM 0 H PHE A 63 7.532 0.448 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 63 5.571 -1.584 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.026 -1.647 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.708 -0.403 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.973 -3.579 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.675 -1.255 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.329 -5.306 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.038 -2.982 4.863 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.857 -5.007 4.112 1.00 0.00 H new ATOM 945 N GLN A 64 5.310 1.339 0.707 1.00 0.00 N ATOM 946 CA GLN A 64 4.442 2.182 1.521 1.00 0.00 C ATOM 947 C GLN A 64 3.040 2.255 0.927 1.00 0.00 C ATOM 948 O GLN A 64 2.054 2.400 1.650 1.00 0.00 O ATOM 949 CB GLN A 64 5.032 3.588 1.644 1.00 0.00 C ATOM 950 CG GLN A 64 6.224 3.668 2.583 1.00 0.00 C ATOM 951 CD GLN A 64 5.866 3.314 4.013 1.00 0.00 C ATOM 952 OE1 GLN A 64 4.991 3.934 4.617 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.543 2.313 4.562 1.00 0.00 N ATOM 0 H GLN A 64 6.067 1.839 0.241 1.00 0.00 H new ATOM 0 HA GLN A 64 4.372 1.737 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.335 3.933 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.257 4.269 1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.005 2.994 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.637 4.676 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.260 1.827 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.346 2.030 5.522 1.00 0.00 H new ATOM 962 N LYS A 65 2.957 2.155 -0.396 1.00 0.00 N ATOM 963 CA LYS A 65 1.676 2.209 -1.089 1.00 0.00 C ATOM 964 C LYS A 65 1.110 0.808 -1.297 1.00 0.00 C ATOM 965 O LYS A 65 -0.088 0.639 -1.525 1.00 0.00 O ATOM 966 CB LYS A 65 1.832 2.913 -2.439 1.00 0.00 C ATOM 967 CG LYS A 65 2.184 1.972 -3.578 1.00 0.00 C ATOM 968 CD LYS A 65 2.779 2.723 -4.758 1.00 0.00 C ATOM 969 CE LYS A 65 3.570 1.795 -5.667 1.00 0.00 C ATOM 970 NZ LYS A 65 4.582 2.536 -6.470 1.00 0.00 N ATOM 0 H LYS A 65 3.763 2.036 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 65 0.980 2.775 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.903 3.430 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.607 3.674 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.894 1.223 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.290 1.437 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.981 3.199 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.429 3.519 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.069 1.036 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.886 1.273 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.100 1.869 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.104 3.244 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.250 3.014 -5.832 1.00 0.00 H new ATOM 984 N LEU A 66 1.979 -0.194 -1.216 1.00 0.00 N ATOM 985 CA LEU A 66 1.566 -1.581 -1.394 1.00 0.00 C ATOM 986 C LEU A 66 1.008 -2.154 -0.095 1.00 0.00 C ATOM 987 O LEU A 66 0.097 -2.982 -0.111 1.00 0.00 O ATOM 988 CB LEU A 66 2.746 -2.428 -1.872 1.00 0.00 C ATOM 989 CG LEU A 66 2.944 -2.508 -3.387 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.187 -3.318 -3.720 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.717 -3.111 -4.054 1.00 0.00 C ATOM 0 H LEU A 66 2.974 -0.071 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 66 0.780 -1.606 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.658 -2.029 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.620 -3.440 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 66 3.081 -1.497 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.312 -3.364 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.061 -2.843 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.080 -4.328 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.876 -3.160 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.549 -4.116 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.846 -2.490 -3.843 1.00 0.00 H new ATOM 1003 N GLN A 67 1.559 -1.706 1.029 1.00 0.00 N ATOM 1004 CA GLN A 67 1.115 -2.173 2.337 1.00 0.00 C ATOM 1005 C GLN A 67 -0.154 -1.448 2.772 1.00 0.00 C ATOM 1006 O GLN A 67 -0.922 -1.954 3.590 1.00 0.00 O ATOM 1007 CB GLN A 67 2.217 -1.966 3.377 1.00 0.00 C ATOM 1008 CG GLN A 67 2.434 -0.509 3.751 1.00 0.00 C ATOM 1009 CD GLN A 67 3.170 -0.348 5.067 1.00 0.00 C ATOM 1010 OE1 GLN A 67 4.401 -0.362 5.109 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.419 -0.194 6.151 1.00 0.00 N ATOM 0 H GLN A 67 2.314 -1.020 1.060 1.00 0.00 H new ATOM 0 HA GLN A 67 0.894 -3.238 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.968 -2.530 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.150 -2.377 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.999 -0.015 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.469 -0.007 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.402 -0.188 6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.859 -0.081 7.064 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.368 -0.259 2.220 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.545 0.538 2.549 1.00 0.00 C ATOM 1022 C LYS A 68 -2.792 -0.034 1.883 1.00 0.00 C ATOM 1023 O LYS A 68 -3.698 -0.523 2.557 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.341 1.991 2.114 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.350 2.953 2.715 1.00 0.00 C ATOM 1026 CD LYS A 68 -1.859 3.523 4.035 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.870 4.489 4.635 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.075 5.685 3.772 1.00 0.00 N ATOM 0 H LYS A 68 0.258 0.175 1.542 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.685 0.506 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.337 2.308 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.400 2.048 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.540 3.766 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.298 2.438 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.670 2.710 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.910 4.037 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.821 3.977 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.528 4.806 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.705 6.357 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.159 6.141 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.505 5.393 2.871 1.00 0.00 H new ATOM 1042 N ALA A 69 -2.832 0.032 0.556 1.00 0.00 N ATOM 1043 CA ALA A 69 -3.966 -0.483 -0.200 1.00 0.00 C ATOM 1044 C ALA A 69 -4.446 -1.815 0.366 1.00 0.00 C ATOM 1045 O ALA A 69 -5.646 -2.088 0.408 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.597 -0.633 -1.669 1.00 0.00 C ATOM 0 H ALA A 69 -2.092 0.437 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.783 0.233 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.454 -1.019 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.311 0.338 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.761 -1.326 -1.765 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.501 -2.642 0.800 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.826 -3.947 1.365 1.00 0.00 C ATOM 1054 C LYS A 70 -4.733 -3.802 2.582 1.00 0.00 C ATOM 1055 O LYS A 70 -5.874 -4.262 2.575 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.546 -4.689 1.754 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.800 -6.026 2.430 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.691 -6.375 3.409 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.979 -5.824 4.797 1.00 0.00 C ATOM 1060 NZ LYS A 70 -1.427 -4.452 4.974 1.00 0.00 N ATOM 0 H LYS A 70 -2.503 -2.432 0.771 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.356 -4.523 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.944 -4.852 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.959 -4.059 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.754 -5.993 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.879 -6.808 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.579 -7.458 3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.745 -5.974 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.056 -5.807 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.550 -6.488 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.022 -4.361 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.686 -4.282 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.188 -3.753 4.854 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.218 -3.158 3.625 1.00 0.00 N ATOM 1075 CA GLU A 71 -4.983 -2.953 4.849 1.00 0.00 C ATOM 1076 C GLU A 71 -6.363 -2.380 4.539 1.00 0.00 C ATOM 1077 O GLU A 71 -7.357 -2.755 5.161 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.231 -2.016 5.797 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.666 -2.140 7.247 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.905 -1.203 8.166 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.524 -0.105 7.711 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -3.692 -1.570 9.341 1.00 0.00 O ATOM 0 H GLU A 71 -3.275 -2.770 3.647 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.111 -3.921 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.163 -2.223 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.378 -0.987 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.733 -1.929 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.520 -3.168 7.580 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.414 -1.469 3.573 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.671 -0.844 3.179 1.00 0.00 C ATOM 1091 C ILE A 72 -8.653 -1.877 2.638 1.00 0.00 C ATOM 1092 O ILE A 72 -9.816 -1.917 3.044 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.449 0.244 2.112 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.515 1.332 2.648 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.779 0.845 1.684 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.094 2.105 3.812 1.00 0.00 C ATOM 0 H ILE A 72 -5.600 -1.147 3.049 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.088 -0.384 4.075 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.981 -0.213 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.576 0.873 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.279 2.027 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.606 1.612 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.414 0.063 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.272 1.291 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.378 2.859 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.018 2.593 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.304 1.421 4.635 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.178 -2.714 1.722 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.014 -3.750 1.126 1.00 0.00 C ATOM 1110 C LEU A 73 -9.258 -4.887 2.113 1.00 0.00 C ATOM 1111 O LEU A 73 -10.397 -5.158 2.496 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.357 -4.295 -0.144 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.189 -3.300 -1.292 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.356 -3.909 -2.409 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.548 -2.859 -1.818 1.00 0.00 C ATOM 0 H LEU A 73 -7.219 -2.695 1.376 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.975 -3.304 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.374 -4.686 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.949 -5.137 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.665 -2.422 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.247 -3.186 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.371 -4.175 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.852 -4.803 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.410 -2.151 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.097 -3.728 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.111 -2.382 -1.016 1.00 0.00 H new ATOM 1127 N THR A 74 -8.181 -5.550 2.524 1.00 0.00 N ATOM 1128 CA THR A 74 -8.279 -6.656 3.468 1.00 0.00 C ATOM 1129 C THR A 74 -9.359 -6.396 4.511 1.00 0.00 C ATOM 1130 O THR A 74 -10.113 -7.297 4.876 1.00 0.00 O ATOM 1131 CB THR A 74 -6.937 -6.903 4.184 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.533 -5.723 4.888 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.858 -7.301 3.189 1.00 0.00 C ATOM 0 H THR A 74 -7.231 -5.340 2.218 1.00 0.00 H new ATOM 0 HA THR A 74 -8.543 -7.542 2.891 1.00 0.00 H new ATOM 0 HB THR A 74 -7.073 -7.720 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.399 -4.991 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.920 -7.470 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.155 -8.216 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.724 -6.503 2.459 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.428 -5.157 4.988 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.417 -4.778 5.991 1.00 0.00 C ATOM 1143 C ASN A 75 -11.758 -4.456 5.338 1.00 0.00 C ATOM 1144 O ASN A 75 -11.833 -3.634 4.425 1.00 0.00 O ATOM 1145 CB ASN A 75 -9.925 -3.571 6.792 1.00 0.00 C ATOM 1146 CG ASN A 75 -10.498 -3.536 8.196 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -11.438 -2.793 8.476 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -9.932 -4.344 9.085 1.00 0.00 N ATOM 0 H ASN A 75 -8.811 -4.399 4.696 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.555 -5.622 6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.837 -3.594 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.198 -2.655 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.275 -4.366 10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.154 -4.943 8.807 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.813 -5.111 5.812 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.151 -4.894 5.274 1.00 0.00 C ATOM 1157 C GLU A 76 -14.666 -3.505 5.639 1.00 0.00 C ATOM 1158 O GLU A 76 -15.338 -2.852 4.840 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.115 -5.961 5.799 1.00 0.00 C ATOM 1160 CG GLU A 76 -14.850 -7.348 5.239 1.00 0.00 C ATOM 1161 CD GLU A 76 -15.793 -8.394 5.801 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.178 -8.273 6.983 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -16.147 -9.334 5.059 1.00 0.00 O ATOM 0 H GLU A 76 -12.767 -5.796 6.567 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.094 -4.968 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.046 -5.998 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.136 -5.668 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.947 -7.322 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.822 -7.635 5.460 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.345 -3.060 6.850 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.777 -1.749 7.320 1.00 0.00 C ATOM 1172 C GLU A 77 -14.192 -0.640 6.451 1.00 0.00 C ATOM 1173 O GLU A 77 -14.913 0.236 5.975 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.360 -1.543 8.778 1.00 0.00 C ATOM 1175 CG GLU A 77 -15.011 -0.336 9.432 1.00 0.00 C ATOM 1176 CD GLU A 77 -14.905 -0.365 10.945 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -15.177 -1.430 11.538 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -14.551 0.677 11.535 1.00 0.00 O ATOM 0 H GLU A 77 -13.788 -3.587 7.522 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.864 -1.706 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.613 -2.436 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.277 -1.431 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.542 0.573 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.062 -0.295 9.146 1.00 0.00 H new ATOM 1185 N SER A 78 -12.878 -0.684 6.250 1.00 0.00 N ATOM 1186 CA SER A 78 -12.195 0.319 5.442 1.00 0.00 C ATOM 1187 C SER A 78 -12.518 0.138 3.962 1.00 0.00 C ATOM 1188 O SER A 78 -12.706 1.112 3.233 1.00 0.00 O ATOM 1189 CB SER A 78 -10.682 0.235 5.659 1.00 0.00 C ATOM 1190 OG SER A 78 -10.348 0.476 7.015 1.00 0.00 O ATOM 0 H SER A 78 -12.266 -1.403 6.636 1.00 0.00 H new ATOM 0 HA SER A 78 -12.547 1.302 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.323 -0.750 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.179 0.963 5.022 1.00 0.00 H new ATOM 0 HG SER A 78 -9.376 0.415 7.128 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.582 -1.116 3.526 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.881 -1.426 2.133 1.00 0.00 C ATOM 1198 C ARG A 79 -14.249 -0.879 1.737 1.00 0.00 C ATOM 1199 O ARG A 79 -14.373 -0.133 0.766 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.839 -2.938 1.905 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.133 -3.346 0.471 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.037 -4.853 0.289 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.787 -5.222 -1.102 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.379 -6.428 -1.480 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.176 -7.377 -0.576 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.173 -6.687 -2.765 1.00 0.00 N ATOM 0 H ARG A 79 -12.431 -1.933 4.117 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.124 -0.950 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.854 -3.312 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.562 -3.417 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.131 -3.008 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.430 -2.852 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.236 -5.244 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.963 -5.319 0.627 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.934 -4.515 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.333 -7.182 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.863 -8.302 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.328 -5.960 -3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.860 -7.613 -3.055 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.274 -1.256 2.495 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.632 -0.803 2.223 1.00 0.00 C ATOM 1222 C ALA A 80 -16.689 0.716 2.095 1.00 0.00 C ATOM 1223 O ALA A 80 -17.226 1.247 1.123 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.576 -1.277 3.318 1.00 0.00 C ATOM 0 H ALA A 80 -15.189 -1.874 3.302 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.949 -1.234 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.587 -0.931 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.566 -2.366 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.252 -0.874 4.277 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.132 1.409 3.083 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.121 2.867 3.081 1.00 0.00 C ATOM 1232 C ARG A 81 -15.426 3.404 1.833 1.00 0.00 C ATOM 1233 O ARG A 81 -15.957 4.271 1.139 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.421 3.395 4.334 1.00 0.00 C ATOM 1235 CG ARG A 81 -16.208 3.166 5.614 1.00 0.00 C ATOM 1236 CD ARG A 81 -17.393 4.114 5.716 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.003 5.423 6.234 1.00 0.00 N ATOM 1238 CZ ARG A 81 -17.857 6.281 6.780 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -19.142 5.970 6.880 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -17.426 7.453 7.228 1.00 0.00 N ATOM 0 H ARG A 81 -15.683 0.985 3.894 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.155 3.213 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.447 2.914 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.239 4.463 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.561 2.135 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.554 3.305 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.847 4.234 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.151 3.678 6.366 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.021 5.693 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.477 5.070 6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.796 6.631 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.438 7.696 7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.083 8.111 7.647 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.236 2.884 1.555 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.467 3.313 0.392 1.00 0.00 C ATOM 1256 C TYR A 82 -14.351 3.386 -0.849 1.00 0.00 C ATOM 1257 O TYR A 82 -14.508 4.449 -1.450 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.300 2.355 0.145 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.644 2.536 -1.205 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.488 3.801 -1.759 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.180 1.443 -1.926 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.890 3.971 -2.993 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.579 1.604 -3.160 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.437 2.870 -3.689 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.840 3.035 -4.918 1.00 0.00 O ATOM 0 H TYR A 82 -13.783 2.165 2.119 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.074 4.309 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.552 2.498 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.658 1.329 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.840 4.666 -1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.291 0.450 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.778 4.961 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.223 0.744 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.602 3.977 -5.042 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.926 2.249 -1.226 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.796 2.183 -2.394 1.00 0.00 C ATOM 1277 C ASP A 83 -16.759 3.366 -2.422 1.00 0.00 C ATOM 1278 O ASP A 83 -16.863 4.073 -3.425 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.580 0.870 -2.399 1.00 0.00 C ATOM 1280 CG ASP A 83 -15.805 -0.265 -3.039 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -15.315 -0.083 -4.173 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -15.688 -1.335 -2.406 1.00 0.00 O ATOM 0 H ASP A 83 -14.805 1.361 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.170 2.226 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.836 0.599 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.518 1.013 -2.935 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.464 3.574 -1.314 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.420 4.671 -1.211 1.00 0.00 C ATOM 1289 C HIS A 84 -17.852 5.947 -1.826 1.00 0.00 C ATOM 1290 O HIS A 84 -18.527 6.631 -2.595 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.790 4.917 0.251 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.838 5.972 0.435 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.178 5.684 0.585 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.736 7.320 0.493 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.855 6.809 0.726 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.004 7.817 0.674 1.00 0.00 N ATOM 0 H HIS A 84 -17.391 2.998 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.317 4.391 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.145 3.984 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.894 5.207 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.827 7.898 0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.923 6.891 0.861 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.248 8.804 0.755 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.608 6.260 -1.482 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.949 7.454 -2.000 1.00 0.00 C ATOM 1306 C TRP A 85 -15.531 7.258 -3.453 1.00 0.00 C ATOM 1307 O TRP A 85 -15.365 8.225 -4.196 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.728 7.798 -1.146 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.840 8.833 -1.770 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.709 10.138 -1.388 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.963 8.649 -2.886 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.803 10.776 -2.200 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.330 9.885 -3.126 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.649 7.561 -3.705 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.404 10.060 -4.151 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.730 7.737 -4.722 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -11.115 8.978 -4.937 1.00 0.00 C ATOM 0 H TRP A 85 -16.035 5.704 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.659 8.280 -1.955 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -15.063 8.156 -0.173 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -14.149 6.891 -0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -14.239 10.600 -0.569 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.527 11.755 -2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -13.116 6.600 -3.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.931 11.016 -4.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.481 6.904 -5.362 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.399 9.082 -5.739 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.363 6.002 -3.852 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.963 5.680 -5.216 1.00 0.00 C ATOM 1330 C ARG A 86 -16.040 6.101 -6.212 1.00 0.00 C ATOM 1331 O ARG A 86 -15.736 6.548 -7.318 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.688 4.181 -5.350 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.658 3.844 -6.415 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.438 2.343 -6.523 1.00 0.00 C ATOM 1335 NE ARG A 86 -14.354 1.723 -7.477 1.00 0.00 N ATOM 1336 CZ ARG A 86 -14.365 2.005 -8.775 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -13.514 2.893 -9.271 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -15.228 1.399 -9.579 1.00 0.00 N ATOM 0 H ARG A 86 -15.498 5.190 -3.249 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.050 6.231 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.345 3.796 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.621 3.668 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.988 4.235 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.714 4.335 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.410 2.148 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.571 1.886 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.022 1.036 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.849 3.361 -8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.524 3.108 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.884 0.716 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.236 1.616 -10.576 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.298 5.955 -5.811 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.420 6.319 -6.669 1.00 0.00 C ATOM 1354 C ARG A 87 -18.753 7.801 -6.530 1.00 0.00 C ATOM 1355 O ARG A 87 -19.499 8.359 -7.335 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.649 5.475 -6.323 1.00 0.00 C ATOM 1357 CG ARG A 87 -20.413 5.981 -5.110 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.777 5.319 -4.996 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.694 3.999 -4.377 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.733 3.377 -3.829 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.927 3.954 -3.824 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -22.578 2.177 -3.286 1.00 0.00 N ATOM 0 H ARG A 87 -17.566 5.588 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.132 6.124 -7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.320 5.456 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.334 4.447 -6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.835 5.785 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.536 7.062 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -22.440 5.954 -4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -22.220 5.227 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 87 -20.789 3.529 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.049 4.877 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.723 3.475 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -21.661 1.731 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.376 1.700 -2.866 1.00 0.00 H new ATOM 1376 N SER A 88 -18.194 8.434 -5.503 1.00 0.00 N ATOM 1377 CA SER A 88 -18.434 9.851 -5.256 1.00 0.00 C ATOM 1378 C SER A 88 -17.519 10.716 -6.118 1.00 0.00 C ATOM 1379 O SER A 88 -17.769 11.906 -6.306 1.00 0.00 O ATOM 1380 CB SER A 88 -18.218 10.176 -3.777 1.00 0.00 C ATOM 1381 OG SER A 88 -18.864 11.386 -3.421 1.00 0.00 O ATOM 0 H SER A 88 -17.572 7.988 -4.829 1.00 0.00 H new ATOM 0 HA SER A 88 -19.468 10.071 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.601 9.361 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.151 10.256 -3.571 1.00 0.00 H new ATOM 0 HG SER A 88 -19.629 11.190 -2.841 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.458 10.107 -6.637 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.504 10.821 -7.478 1.00 0.00 C ATOM 1389 C GLN A 89 -15.234 12.218 -6.930 1.00 0.00 C ATOM 1390 O GLN A 89 -15.209 13.195 -7.678 1.00 0.00 O ATOM 1391 CB GLN A 89 -16.028 10.916 -8.913 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.985 9.596 -9.665 1.00 0.00 C ATOM 1393 CD GLN A 89 -14.648 9.350 -10.335 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -14.069 10.252 -10.941 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -14.149 8.124 -10.230 1.00 0.00 N ATOM 0 H GLN A 89 -16.237 9.122 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.568 10.263 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -17.055 11.280 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.439 11.654 -9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.196 8.781 -8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.772 9.586 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.663 7.406 -9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.252 7.900 -10.661 1.00 0.00 H new ATOM 1404 N MET A 90 -15.033 12.305 -5.619 1.00 0.00 N ATOM 1405 CA MET A 90 -14.763 13.583 -4.971 1.00 0.00 C ATOM 1406 C MET A 90 -13.391 14.118 -5.370 1.00 0.00 C ATOM 1407 O MET A 90 -12.462 13.348 -5.611 1.00 0.00 O ATOM 1408 CB MET A 90 -14.842 13.435 -3.450 1.00 0.00 C ATOM 1409 CG MET A 90 -16.235 13.094 -2.944 1.00 0.00 C ATOM 1410 SD MET A 90 -16.493 13.593 -1.231 1.00 0.00 S ATOM 1411 CE MET A 90 -17.477 12.225 -0.624 1.00 0.00 C ATOM 0 H MET A 90 -15.052 11.506 -4.985 1.00 0.00 H new ATOM 0 HA MET A 90 -15.520 14.295 -5.300 1.00 0.00 H new ATOM 0 HB2 MET A 90 -14.148 12.657 -3.132 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.513 14.364 -2.985 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.977 13.582 -3.576 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.397 12.020 -3.034 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.539 12.275 0.463 1.00 0.00 H new ATOM 0 HE2 MET A 90 -18.480 12.282 -1.047 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.012 11.284 -0.918 1.00 0.00 H new ATOM 1421 N SER A 91 -13.273 15.440 -5.439 1.00 0.00 N ATOM 1422 CA SER A 91 -12.016 16.076 -5.814 1.00 0.00 C ATOM 1423 C SER A 91 -10.852 15.487 -5.024 1.00 0.00 C ATOM 1424 O SER A 91 -9.882 14.995 -5.600 1.00 0.00 O ATOM 1425 CB SER A 91 -12.094 17.586 -5.579 1.00 0.00 C ATOM 1426 OG SER A 91 -13.045 18.187 -6.441 1.00 0.00 O ATOM 0 H SER A 91 -14.032 16.091 -5.240 1.00 0.00 H new ATOM 0 HA SER A 91 -11.845 15.888 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.364 17.782 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.114 18.034 -5.744 1.00 0.00 H new ATOM 0 HG SER A 91 -13.078 19.151 -6.270 1.00 0.00 H new ATOM 1432 N MET A 92 -10.956 15.540 -3.700 1.00 0.00 N ATOM 1433 CA MET A 92 -9.913 15.011 -2.829 1.00 0.00 C ATOM 1434 C MET A 92 -9.931 13.486 -2.825 1.00 0.00 C ATOM 1435 O MET A 92 -10.952 12.852 -3.092 1.00 0.00 O ATOM 1436 CB MET A 92 -10.092 15.538 -1.404 1.00 0.00 C ATOM 1437 CG MET A 92 -10.989 14.666 -0.541 1.00 0.00 C ATOM 1438 SD MET A 92 -12.716 14.723 -1.055 1.00 0.00 S ATOM 1439 CE MET A 92 -13.498 15.298 0.450 1.00 0.00 C ATOM 0 H MET A 92 -11.752 15.944 -3.207 1.00 0.00 H new ATOM 0 HA MET A 92 -8.949 15.345 -3.213 1.00 0.00 H new ATOM 0 HB2 MET A 92 -9.114 15.619 -0.930 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.510 16.544 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.636 13.636 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.912 14.988 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 92 -14.573 15.384 0.291 1.00 0.00 H new ATOM 0 HE2 MET A 92 -13.306 14.588 1.254 1.00 0.00 H new ATOM 0 HE3 MET A 92 -13.092 16.272 0.722 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.774 12.881 -2.516 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.632 11.422 -2.469 1.00 0.00 C ATOM 1451 C PRO A 93 -9.383 10.803 -1.296 1.00 0.00 C ATOM 1452 O PRO A 93 -9.698 11.483 -0.319 1.00 0.00 O ATOM 1453 CB PRO A 93 -7.123 11.218 -2.306 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.640 12.471 -1.661 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.517 13.573 -2.186 1.00 0.00 C ATOM 0 HA PRO A 93 -9.048 10.944 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.906 10.346 -1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.639 11.056 -3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.708 12.402 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.594 12.656 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.672 14.353 -1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.080 14.052 -3.062 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.668 9.509 -1.398 1.00 0.00 N ATOM 1464 CA PHE A 94 -10.383 8.798 -0.345 1.00 0.00 C ATOM 1465 C PHE A 94 -9.668 8.948 0.995 1.00 0.00 C ATOM 1466 O PHE A 94 -10.298 9.198 2.022 1.00 0.00 O ATOM 1467 CB PHE A 94 -10.519 7.317 -0.701 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.665 6.423 0.497 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.807 6.475 1.281 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.662 5.531 0.839 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.944 5.654 2.384 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.794 4.707 1.941 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.937 4.768 2.714 1.00 0.00 C ATOM 0 H PHE A 94 -9.415 8.931 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.378 9.235 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -11.385 7.186 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.643 7.007 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.598 7.165 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.766 5.479 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.838 5.705 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.004 4.016 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.043 4.124 3.575 1.00 0.00 H new ATOM 1483 N GLN A 95 -8.348 8.792 0.974 1.00 0.00 N ATOM 1484 CA GLN A 95 -7.547 8.908 2.187 1.00 0.00 C ATOM 1485 C GLN A 95 -7.879 10.193 2.938 1.00 0.00 C ATOM 1486 O GLN A 95 -7.644 10.297 4.142 1.00 0.00 O ATOM 1487 CB GLN A 95 -6.056 8.874 1.844 1.00 0.00 C ATOM 1488 CG GLN A 95 -5.155 8.746 3.061 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.706 8.498 2.691 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -3.360 8.415 1.512 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.849 8.380 3.698 1.00 0.00 N ATOM 0 H GLN A 95 -7.811 8.585 0.132 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.784 8.061 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.865 8.038 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.795 9.784 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.223 9.657 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.511 7.928 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.179 8.456 4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.860 8.214 3.510 1.00 0.00 H new ATOM 1500 N GLN A 96 -8.425 11.168 2.220 1.00 0.00 N ATOM 1501 CA GLN A 96 -8.788 12.447 2.819 1.00 0.00 C ATOM 1502 C GLN A 96 -10.159 12.367 3.482 1.00 0.00 C ATOM 1503 O GLN A 96 -10.341 12.826 4.610 1.00 0.00 O ATOM 1504 CB GLN A 96 -8.785 13.550 1.759 1.00 0.00 C ATOM 1505 CG GLN A 96 -9.218 14.906 2.292 1.00 0.00 C ATOM 1506 CD GLN A 96 -8.347 15.389 3.435 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -7.177 15.020 3.538 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.914 16.220 4.301 1.00 0.00 N ATOM 0 H GLN A 96 -8.626 11.097 1.223 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.048 12.685 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.783 13.637 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.448 13.261 0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.188 15.636 1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.253 14.846 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.887 16.500 4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.377 16.579 5.090 1.00 0.00 H new ATOM 1517 N TRP A 97 -11.120 11.783 2.775 1.00 0.00 N ATOM 1518 CA TRP A 97 -12.475 11.644 3.296 1.00 0.00 C ATOM 1519 C TRP A 97 -12.460 11.052 4.701 1.00 0.00 C ATOM 1520 O TRP A 97 -13.275 11.419 5.547 1.00 0.00 O ATOM 1521 CB TRP A 97 -13.313 10.764 2.367 1.00 0.00 C ATOM 1522 CG TRP A 97 -14.751 10.666 2.779 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -15.620 11.701 2.973 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -15.485 9.466 3.049 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -16.851 11.217 3.348 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -16.794 9.849 3.401 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -15.164 8.107 3.027 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -17.778 8.921 3.727 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -16.142 7.186 3.351 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -17.437 7.596 3.697 1.00 0.00 C ATOM 0 H TRP A 97 -10.986 11.398 1.840 1.00 0.00 H new ATOM 0 HA TRP A 97 -12.922 12.637 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -13.259 11.163 1.354 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -12.881 9.763 2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -15.376 12.746 2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -17.673 11.784 3.553 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -14.169 7.782 2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -18.776 9.235 3.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -15.905 6.133 3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -18.180 6.852 3.945 1.00 0.00 H new ATOM 1541 N GLU A 98 -11.529 10.135 4.943 1.00 0.00 N ATOM 1542 CA GLU A 98 -11.410 9.493 6.246 1.00 0.00 C ATOM 1543 C GLU A 98 -10.677 10.396 7.233 1.00 0.00 C ATOM 1544 O GLU A 98 -10.997 10.424 8.421 1.00 0.00 O ATOM 1545 CB GLU A 98 -10.673 8.158 6.116 1.00 0.00 C ATOM 1546 CG GLU A 98 -11.061 7.366 4.879 1.00 0.00 C ATOM 1547 CD GLU A 98 -12.221 6.422 5.130 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -13.371 6.901 5.205 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -11.977 5.203 5.252 1.00 0.00 O ATOM 0 H GLU A 98 -10.846 9.820 4.254 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.415 9.310 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.600 8.346 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.873 7.554 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.326 8.057 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.200 6.794 4.534 1.00 0.00 H new ATOM 1556 N ALA A 99 -9.692 11.134 6.732 1.00 0.00 N ATOM 1557 CA ALA A 99 -8.914 12.040 7.569 1.00 0.00 C ATOM 1558 C ALA A 99 -9.824 12.925 8.413 1.00 0.00 C ATOM 1559 O ALA A 99 -9.497 13.263 9.551 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.994 12.894 6.709 1.00 0.00 C ATOM 0 H ALA A 99 -9.414 11.123 5.751 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.307 11.439 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.419 13.566 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.313 12.249 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.590 13.480 6.009 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.968 13.298 7.849 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.926 14.146 8.550 1.00 0.00 C ATOM 1568 C LEU A 100 -12.614 13.376 9.673 1.00 0.00 C ATOM 1569 O LEU A 100 -12.890 13.927 10.738 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.971 14.685 7.571 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.641 16.023 6.907 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -11.726 15.813 5.711 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -13.917 16.738 6.486 1.00 0.00 C ATOM 0 H LEU A 100 -11.255 13.027 6.908 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.382 14.983 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -13.124 13.942 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.917 14.789 8.102 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.120 16.649 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.502 16.775 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.799 15.343 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.220 15.169 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.663 17.688 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -14.465 16.117 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.537 16.922 7.363 1.00 0.00 H new ATOM 1585 N ASN A 101 -12.887 12.099 9.427 1.00 0.00 N ATOM 1586 CA ASN A 101 -13.541 11.253 10.419 1.00 0.00 C ATOM 1587 C ASN A 101 -12.635 11.029 11.626 1.00 0.00 C ATOM 1588 O ASN A 101 -13.111 10.855 12.748 1.00 0.00 O ATOM 1589 CB ASN A 101 -13.924 9.907 9.798 1.00 0.00 C ATOM 1590 CG ASN A 101 -14.942 10.053 8.684 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -14.591 10.052 7.504 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -16.211 10.179 9.055 1.00 0.00 N ATOM 0 H ASN A 101 -12.666 11.627 8.550 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.445 11.762 10.755 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.029 9.422 9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -14.328 9.255 10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -16.941 10.280 8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -16.456 10.174 10.045 1.00 0.00 H new ATOM 1599 N ASP A 102 -11.328 11.037 11.387 1.00 0.00 N ATOM 1600 CA ASP A 102 -10.355 10.837 12.455 1.00 0.00 C ATOM 1601 C ASP A 102 -9.615 12.134 12.765 1.00 0.00 C ATOM 1602 O ASP A 102 -8.413 12.248 12.522 1.00 0.00 O ATOM 1603 CB ASP A 102 -9.357 9.746 12.066 1.00 0.00 C ATOM 1604 CG ASP A 102 -8.549 9.251 13.251 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -9.152 8.989 14.312 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -7.314 9.125 13.115 1.00 0.00 O ATOM 0 H ASP A 102 -10.918 11.180 10.464 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.893 10.524 13.350 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.894 8.908 11.621 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.680 10.132 11.304 1.00 0.00 H new ATOM 1611 N SER A 103 -10.340 13.110 13.302 1.00 0.00 N ATOM 1612 CA SER A 103 -9.753 14.401 13.641 1.00 0.00 C ATOM 1613 C SER A 103 -8.656 14.241 14.689 1.00 0.00 C ATOM 1614 O SER A 103 -7.799 15.111 14.846 1.00 0.00 O ATOM 1615 CB SER A 103 -10.832 15.356 14.157 1.00 0.00 C ATOM 1616 OG SER A 103 -11.712 15.741 13.116 1.00 0.00 O ATOM 0 H SER A 103 -11.335 13.031 13.512 1.00 0.00 H new ATOM 0 HA SER A 103 -9.310 14.819 12.737 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.397 14.874 14.955 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.363 16.241 14.587 1.00 0.00 H new ATOM 0 HG SER A 103 -11.919 14.963 12.558 1.00 0.00 H new ATOM 1622 N VAL A 104 -8.689 13.121 15.405 1.00 0.00 N ATOM 1623 CA VAL A 104 -7.698 12.845 16.437 1.00 0.00 C ATOM 1624 C VAL A 104 -6.282 12.940 15.880 1.00 0.00 C ATOM 1625 O VAL A 104 -5.470 13.738 16.348 1.00 0.00 O ATOM 1626 CB VAL A 104 -7.903 11.448 17.053 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -6.900 11.204 18.170 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -9.328 11.294 17.561 1.00 0.00 C ATOM 0 H VAL A 104 -9.392 12.391 15.289 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.831 13.599 17.213 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.735 10.700 16.278 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.060 10.212 18.593 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.888 11.269 17.771 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.032 11.956 18.948 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.455 10.301 17.993 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.527 12.049 18.322 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.025 11.421 16.733 1.00 0.00 H new ATOM 1638 N LYS A 105 -5.992 12.120 14.876 1.00 0.00 N ATOM 1639 CA LYS A 105 -4.674 12.111 14.251 1.00 0.00 C ATOM 1640 C LYS A 105 -3.579 11.914 15.294 1.00 0.00 C ATOM 1641 O LYS A 105 -2.586 12.644 15.313 1.00 0.00 O ATOM 1642 CB LYS A 105 -4.439 13.417 13.489 1.00 0.00 C ATOM 1643 CG LYS A 105 -5.045 13.427 12.096 1.00 0.00 C ATOM 1644 CD LYS A 105 -4.909 14.790 11.439 1.00 0.00 C ATOM 1645 CE LYS A 105 -5.811 14.912 10.220 1.00 0.00 C ATOM 1646 NZ LYS A 105 -7.167 15.411 10.581 1.00 0.00 N ATOM 0 H LYS A 105 -6.652 11.452 14.477 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.638 11.277 13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.857 14.243 14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.366 13.594 13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.554 12.674 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.099 13.154 12.155 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.160 15.569 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.872 14.951 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.355 15.589 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.899 13.940 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.886 14.745 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.242 15.494 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.321 16.343 10.147 1.00 0.00 H new ATOM 1660 N THR A 106 -3.764 10.923 16.161 1.00 0.00 N ATOM 1661 CA THR A 106 -2.791 10.630 17.206 1.00 0.00 C ATOM 1662 C THR A 106 -1.667 9.746 16.679 1.00 0.00 C ATOM 1663 O THR A 106 -1.020 9.028 17.442 1.00 0.00 O ATOM 1664 CB THR A 106 -3.454 9.935 18.411 1.00 0.00 C ATOM 1665 OG1 THR A 106 -2.498 9.760 19.462 1.00 0.00 O ATOM 1666 CG2 THR A 106 -4.026 8.585 18.009 1.00 0.00 C ATOM 0 H THR A 106 -4.579 10.310 16.160 1.00 0.00 H new ATOM 0 HA THR A 106 -2.377 11.585 17.529 1.00 0.00 H new ATOM 0 HB THR A 106 -4.269 10.567 18.764 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.652 9.439 19.085 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.489 8.113 18.876 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.775 8.725 17.229 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.225 7.948 17.633 1.00 0.00 H new ATOM 1674 N SER A 107 -1.438 9.805 15.371 1.00 0.00 N ATOM 1675 CA SER A 107 -0.392 9.007 14.742 1.00 0.00 C ATOM 1676 C SER A 107 -0.194 9.420 13.287 1.00 0.00 C ATOM 1677 O SER A 107 -0.970 10.204 12.742 1.00 0.00 O ATOM 1678 CB SER A 107 -0.741 7.519 14.818 1.00 0.00 C ATOM 1679 OG SER A 107 -0.504 7.005 16.117 1.00 0.00 O ATOM 0 H SER A 107 -1.962 10.397 14.727 1.00 0.00 H new ATOM 0 HA SER A 107 0.539 9.183 15.282 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.788 7.374 14.552 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.147 6.965 14.091 1.00 0.00 H new ATOM 0 HG SER A 107 -0.305 7.743 16.730 1.00 0.00 H new ATOM 1685 N GLY A 108 0.852 8.887 12.663 1.00 0.00 N ATOM 1686 CA GLY A 108 1.134 9.211 11.277 1.00 0.00 C ATOM 1687 C GLY A 108 1.897 8.110 10.568 1.00 0.00 C ATOM 1688 O GLY A 108 1.313 7.169 10.030 1.00 0.00 O ATOM 0 H GLY A 108 1.509 8.236 13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.197 9.395 10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.711 10.135 11.233 1.00 0.00 H new ATOM 1692 N PRO A 109 3.233 8.222 10.559 1.00 0.00 N ATOM 1693 CA PRO A 109 4.106 7.238 9.912 1.00 0.00 C ATOM 1694 C PRO A 109 4.124 5.905 10.652 1.00 0.00 C ATOM 1695 O PRO A 109 4.204 5.866 11.880 1.00 0.00 O ATOM 1696 CB PRO A 109 5.486 7.898 9.964 1.00 0.00 C ATOM 1697 CG PRO A 109 5.417 8.828 11.126 1.00 0.00 C ATOM 1698 CD PRO A 109 3.996 9.318 11.180 1.00 0.00 C ATOM 0 HA PRO A 109 3.772 6.998 8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.275 7.157 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.704 8.434 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.690 8.319 12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.112 9.659 11.003 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.673 9.502 12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.872 10.253 10.634 1.00 0.00 H new ATOM 1706 N SER A 110 4.051 4.813 9.897 1.00 0.00 N ATOM 1707 CA SER A 110 4.056 3.477 10.482 1.00 0.00 C ATOM 1708 C SER A 110 5.462 3.082 10.922 1.00 0.00 C ATOM 1709 O SER A 110 6.453 3.605 10.413 1.00 0.00 O ATOM 1710 CB SER A 110 3.517 2.456 9.479 1.00 0.00 C ATOM 1711 OG SER A 110 4.146 2.600 8.217 1.00 0.00 O ATOM 0 H SER A 110 3.988 4.827 8.879 1.00 0.00 H new ATOM 0 HA SER A 110 3.410 3.489 11.360 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.682 1.447 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.440 2.583 9.369 1.00 0.00 H new ATOM 0 HG SER A 110 3.785 1.935 7.594 1.00 0.00 H new ATOM 1717 N SER A 111 5.540 2.155 11.872 1.00 0.00 N ATOM 1718 CA SER A 111 6.824 1.691 12.384 1.00 0.00 C ATOM 1719 C SER A 111 7.070 0.237 11.996 1.00 0.00 C ATOM 1720 O SER A 111 6.145 -0.483 11.622 1.00 0.00 O ATOM 1721 CB SER A 111 6.873 1.841 13.906 1.00 0.00 C ATOM 1722 OG SER A 111 6.075 0.857 14.541 1.00 0.00 O ATOM 0 H SER A 111 4.729 1.711 12.302 1.00 0.00 H new ATOM 0 HA SER A 111 7.608 2.304 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.904 1.755 14.250 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.524 2.834 14.188 1.00 0.00 H new ATOM 0 HG SER A 111 6.124 0.973 15.513 1.00 0.00 H new ATOM 1728 N GLY A 112 8.326 -0.189 12.089 1.00 0.00 N ATOM 1729 CA GLY A 112 8.674 -1.556 11.744 1.00 0.00 C ATOM 1730 C GLY A 112 9.681 -1.630 10.613 1.00 0.00 C ATOM 1731 O GLY A 112 9.476 -1.043 9.551 1.00 0.00 O ATOM 0 H GLY A 112 9.109 0.388 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.081 -2.057 12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.771 -2.097 11.459 1.00 0.00 H new TER 1735 GLY A 112