USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 911 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 86 GLN : amide:sc= -0.229 K(o=-0.29,f=-1.5!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -151:sc= -0.0658 (180deg=-0.5) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.996) USER MOD Set 2.2: A 46 MET CE :methyl 180:sc=-0.00561 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0 (180deg=-0.338) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -141:sc= -3.79! (180deg=-7.08!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.55) USER MOD Single : A 20 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.461 F(o=-2.1,f=-0.46) USER MOD Single : A 23 MET CE :methyl -126:sc= 0 (180deg=-0.0219) USER MOD Single : A 33 GLN : amide:sc= -2.65! C(o=-2.7!,f=-7.9!) USER MOD Single : A 35 MET CE :methyl 175:sc= -0.0399 (180deg=-0.0988) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -7.17! C(o=-8.2!,f=-7.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 52 ASN :FLIP amide:sc= -5.66! C(o=-6.9!,f=-5.7!) USER MOD Single : A 53 SER OG : rot -100:sc= 1.14 USER MOD Single : A 57 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=-0.25) USER MOD Single : A 58 MET CE :methyl 163:sc= -5.37! (180deg=-6.02!) USER MOD Single : A 61 SER OG : rot 78:sc= 1.09 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0.268 (180deg=0.0478) USER MOD Single : A 77 GLN : amide:sc= 0.458 X(o=0.46,f=-0.039) USER MOD Single : A 79 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-4.6!) USER MOD Single : A 80 GLN : amide:sc= -0.338 K(o=-0.34,f=-5.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.45 K(o=-3.4,f=-14!) USER MOD Single : A 91 SER OG : rot 84:sc= 0.123 USER MOD Single : A 93 THR OG1 : rot 59:sc= 0.00916 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 VAL N :NH3+ -164:sc= -0.0954 (180deg=-0.554) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= -0.192 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot -70:sc= -0.17 USER MOD Single : B 9 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.1!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot -15:sc= -4.77! USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.799 -8.664 0.905 1.00 0.00 N ATOM 2 CA GLY A 1 5.427 -9.105 -0.371 1.00 0.00 C ATOM 3 C GLY A 1 5.578 -10.613 -0.452 1.00 0.00 C ATOM 4 O GLY A 1 6.684 -11.135 -0.316 1.00 0.00 O ATOM 0 H1 GLY A 1 5.140 -7.712 1.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.765 -8.644 0.794 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.053 -9.327 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.823 -8.758 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.407 -8.639 -0.470 1.00 0.00 H new ATOM 10 N PRO A 2 4.472 -11.346 -0.675 1.00 0.00 N ATOM 11 CA PRO A 2 4.501 -12.808 -0.773 1.00 0.00 C ATOM 12 C PRO A 2 5.190 -13.289 -2.046 1.00 0.00 C ATOM 13 O PRO A 2 5.763 -12.496 -2.791 1.00 0.00 O ATOM 14 CB PRO A 2 3.021 -13.193 -0.788 1.00 0.00 C ATOM 15 CG PRO A 2 2.323 -11.994 -1.327 1.00 0.00 C ATOM 16 CD PRO A 2 3.111 -10.805 -0.851 1.00 0.00 C ATOM 0 HA PRO A 2 5.064 -13.260 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.846 -14.068 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.666 -13.441 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.281 -12.024 -2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.294 -11.948 -0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.092 -9.993 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.713 -10.407 0.082 1.00 0.00 H new ATOM 24 N LEU A 3 5.128 -14.595 -2.288 1.00 0.00 N ATOM 25 CA LEU A 3 5.746 -15.183 -3.471 1.00 0.00 C ATOM 26 C LEU A 3 4.727 -15.336 -4.596 1.00 0.00 C ATOM 27 O LEU A 3 5.068 -15.234 -5.775 1.00 0.00 O ATOM 28 CB LEU A 3 6.359 -16.543 -3.130 1.00 0.00 C ATOM 29 CG LEU A 3 7.849 -16.513 -2.776 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.673 -16.032 -3.963 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.093 -15.630 -1.559 1.00 0.00 C ATOM 0 H LEU A 3 4.656 -15.265 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 3 6.536 -14.513 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.811 -16.971 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.216 -17.212 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 3 8.163 -17.527 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.729 -16.018 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.524 -16.706 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.357 -15.027 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.157 -15.621 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.761 -14.614 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.536 -16.021 -0.708 1.00 0.00 H new ATOM 43 N GLY A 4 3.474 -15.581 -4.224 1.00 0.00 N ATOM 44 CA GLY A 4 2.425 -15.744 -5.214 1.00 0.00 C ATOM 45 C GLY A 4 1.484 -14.557 -5.263 1.00 0.00 C ATOM 46 O GLY A 4 0.425 -14.569 -4.634 1.00 0.00 O ATOM 0 H GLY A 4 3.167 -15.669 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.876 -15.887 -6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.856 -16.646 -4.990 1.00 0.00 H new ATOM 50 N SER A 5 1.869 -13.528 -6.010 1.00 0.00 N ATOM 51 CA SER A 5 1.052 -12.327 -6.137 1.00 0.00 C ATOM 52 C SER A 5 -0.021 -12.511 -7.213 1.00 0.00 C ATOM 53 O SER A 5 0.287 -12.873 -8.348 1.00 0.00 O ATOM 54 CB SER A 5 1.933 -11.122 -6.474 1.00 0.00 C ATOM 55 OG SER A 5 3.286 -11.367 -6.126 1.00 0.00 O ATOM 0 H SER A 5 2.742 -13.502 -6.537 1.00 0.00 H new ATOM 0 HA SER A 5 0.556 -12.149 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.862 -10.902 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.571 -10.242 -5.942 1.00 0.00 H new ATOM 0 HG SER A 5 3.829 -10.583 -6.353 1.00 0.00 H new ATOM 61 N PRO A 6 -1.300 -12.267 -6.869 1.00 0.00 N ATOM 62 CA PRO A 6 -2.415 -12.411 -7.815 1.00 0.00 C ATOM 63 C PRO A 6 -2.179 -11.654 -9.120 1.00 0.00 C ATOM 64 O PRO A 6 -1.129 -11.043 -9.315 1.00 0.00 O ATOM 65 CB PRO A 6 -3.601 -11.810 -7.056 1.00 0.00 C ATOM 66 CG PRO A 6 -3.255 -11.983 -5.619 1.00 0.00 C ATOM 67 CD PRO A 6 -1.761 -11.833 -5.534 1.00 0.00 C ATOM 0 HA PRO A 6 -2.561 -13.449 -8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.740 -10.758 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.531 -12.322 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.758 -11.237 -5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.571 -12.961 -5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.471 -10.804 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.339 -12.451 -4.742 1.00 0.00 H new ATOM 75 N LEU A 7 -3.169 -11.700 -10.011 1.00 0.00 N ATOM 76 CA LEU A 7 -3.077 -11.017 -11.299 1.00 0.00 C ATOM 77 C LEU A 7 -3.860 -9.709 -11.274 1.00 0.00 C ATOM 78 O LEU A 7 -4.958 -9.651 -10.727 1.00 0.00 O ATOM 79 CB LEU A 7 -3.601 -11.923 -12.416 1.00 0.00 C ATOM 80 CG LEU A 7 -2.549 -12.354 -13.434 1.00 0.00 C ATOM 81 CD1 LEU A 7 -1.998 -11.143 -14.173 1.00 0.00 C ATOM 82 CD2 LEU A 7 -1.430 -13.116 -12.743 1.00 0.00 C ATOM 0 H LEU A 7 -4.044 -12.203 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.029 -10.787 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.039 -12.814 -11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.403 -11.404 -12.940 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.018 -13.015 -14.163 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.249 -11.467 -14.895 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.809 -10.635 -14.695 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.541 -10.458 -13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.686 -13.418 -13.480 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.961 -12.476 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.839 -14.002 -12.257 1.00 0.00 H new ATOM 94 N THR A 8 -3.276 -8.656 -11.841 1.00 0.00 N ATOM 95 CA THR A 8 -3.902 -7.338 -11.835 1.00 0.00 C ATOM 96 C THR A 8 -4.855 -7.172 -13.004 1.00 0.00 C ATOM 97 O THR A 8 -5.952 -6.640 -12.835 1.00 0.00 O ATOM 98 CB THR A 8 -2.824 -6.250 -11.893 1.00 0.00 C ATOM 99 OG1 THR A 8 -1.693 -6.701 -12.620 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.346 -5.808 -10.527 1.00 0.00 C ATOM 0 H THR A 8 -2.371 -8.691 -12.310 1.00 0.00 H new ATOM 0 HA THR A 8 -4.475 -7.243 -10.912 1.00 0.00 H new ATOM 0 HB THR A 8 -3.297 -5.401 -12.387 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.017 -5.992 -12.647 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.584 -5.037 -10.640 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.186 -5.408 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.923 -6.661 -9.996 1.00 0.00 H new ATOM 108 N ALA A 9 -4.469 -7.647 -14.181 1.00 0.00 N ATOM 109 CA ALA A 9 -5.347 -7.554 -15.335 1.00 0.00 C ATOM 110 C ALA A 9 -6.652 -8.282 -15.043 1.00 0.00 C ATOM 111 O ALA A 9 -7.708 -7.662 -14.919 1.00 0.00 O ATOM 112 CB ALA A 9 -4.676 -8.126 -16.575 1.00 0.00 C ATOM 0 H ALA A 9 -3.569 -8.093 -14.359 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.562 -6.504 -15.531 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.353 -8.045 -17.425 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.763 -7.569 -16.784 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.431 -9.174 -16.405 1.00 0.00 H new ATOM 118 N SER A 10 -6.577 -9.608 -14.960 1.00 0.00 N ATOM 119 CA SER A 10 -7.762 -10.426 -14.713 1.00 0.00 C ATOM 120 C SER A 10 -8.470 -10.009 -13.427 1.00 0.00 C ATOM 121 O SER A 10 -9.673 -10.242 -13.265 1.00 0.00 O ATOM 122 CB SER A 10 -7.369 -11.903 -14.630 1.00 0.00 C ATOM 123 OG SER A 10 -6.921 -12.385 -15.884 1.00 0.00 O ATOM 0 H SER A 10 -5.711 -10.138 -15.060 1.00 0.00 H new ATOM 0 HA SER A 10 -8.451 -10.276 -15.544 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.583 -12.032 -13.886 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.224 -12.491 -14.296 1.00 0.00 H new ATOM 0 HG SER A 10 -6.675 -13.330 -15.802 1.00 0.00 H new ATOM 129 N MET A 11 -7.740 -9.367 -12.521 1.00 0.00 N ATOM 130 CA MET A 11 -8.334 -8.918 -11.279 1.00 0.00 C ATOM 131 C MET A 11 -9.419 -7.892 -11.575 1.00 0.00 C ATOM 132 O MET A 11 -10.503 -7.930 -10.996 1.00 0.00 O ATOM 133 CB MET A 11 -7.243 -8.346 -10.369 1.00 0.00 C ATOM 134 CG MET A 11 -7.454 -6.908 -9.949 1.00 0.00 C ATOM 135 SD MET A 11 -8.764 -6.745 -8.727 1.00 0.00 S ATOM 136 CE MET A 11 -7.951 -7.431 -7.284 1.00 0.00 C ATOM 0 H MET A 11 -6.749 -9.151 -12.626 1.00 0.00 H new ATOM 0 HA MET A 11 -8.799 -9.755 -10.759 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.175 -8.965 -9.474 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.285 -8.423 -10.883 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.525 -6.510 -9.539 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.699 -6.307 -10.825 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.663 -8.028 -6.715 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.120 -8.061 -7.600 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.575 -6.621 -6.659 1.00 0.00 H new ATOM 146 N LEU A 12 -9.118 -6.987 -12.488 1.00 0.00 N ATOM 147 CA LEU A 12 -10.071 -5.956 -12.878 1.00 0.00 C ATOM 148 C LEU A 12 -11.271 -6.592 -13.576 1.00 0.00 C ATOM 149 O LEU A 12 -12.409 -6.436 -13.130 1.00 0.00 O ATOM 150 CB LEU A 12 -9.405 -4.914 -13.785 1.00 0.00 C ATOM 151 CG LEU A 12 -9.733 -3.449 -13.451 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.091 -3.061 -14.013 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.698 -3.207 -11.945 1.00 0.00 C ATOM 0 H LEU A 12 -8.223 -6.942 -12.975 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.419 -5.445 -11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.325 -5.048 -13.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.702 -5.110 -14.815 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.970 -2.824 -13.915 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.304 -2.021 -13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.085 -3.182 -15.096 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.860 -3.701 -13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.934 -2.163 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.432 -3.848 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.704 -3.437 -11.563 1.00 0.00 H new ATOM 165 N ALA A 13 -11.016 -7.316 -14.667 1.00 0.00 N ATOM 166 CA ALA A 13 -12.078 -7.986 -15.423 1.00 0.00 C ATOM 167 C ALA A 13 -12.668 -9.179 -14.669 1.00 0.00 C ATOM 168 O ALA A 13 -13.412 -9.976 -15.241 1.00 0.00 O ATOM 169 CB ALA A 13 -11.534 -8.453 -16.755 1.00 0.00 C ATOM 0 H ALA A 13 -10.080 -7.454 -15.049 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.879 -7.262 -15.570 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.324 -8.951 -17.316 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.172 -7.595 -17.321 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.713 -9.150 -16.588 1.00 0.00 H new ATOM 175 N SER A 14 -12.358 -9.283 -13.387 1.00 0.00 N ATOM 176 CA SER A 14 -12.884 -10.360 -12.559 1.00 0.00 C ATOM 177 C SER A 14 -14.165 -9.908 -11.860 1.00 0.00 C ATOM 178 O SER A 14 -15.082 -10.700 -11.641 1.00 0.00 O ATOM 179 CB SER A 14 -11.844 -10.802 -11.526 1.00 0.00 C ATOM 180 OG SER A 14 -12.446 -11.546 -10.481 1.00 0.00 O ATOM 0 H SER A 14 -11.744 -8.634 -12.895 1.00 0.00 H new ATOM 0 HA SER A 14 -13.114 -11.210 -13.201 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.078 -11.406 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.344 -9.927 -11.112 1.00 0.00 H new ATOM 0 HG SER A 14 -11.760 -11.817 -9.836 1.00 0.00 H new ATOM 186 N ALA A 15 -14.205 -8.628 -11.495 1.00 0.00 N ATOM 187 CA ALA A 15 -15.354 -8.057 -10.800 1.00 0.00 C ATOM 188 C ALA A 15 -15.844 -6.773 -11.478 1.00 0.00 C ATOM 189 O ALA A 15 -15.859 -5.706 -10.865 1.00 0.00 O ATOM 190 CB ALA A 15 -14.985 -7.773 -9.353 1.00 0.00 C ATOM 0 H ALA A 15 -13.450 -7.965 -11.671 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.167 -8.782 -10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.844 -7.347 -8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.691 -8.701 -8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.155 -7.067 -9.321 1.00 0.00 H new ATOM 196 N PRO A 16 -16.252 -6.860 -12.760 1.00 0.00 N ATOM 197 CA PRO A 16 -16.740 -5.710 -13.522 1.00 0.00 C ATOM 198 C PRO A 16 -17.665 -4.793 -12.711 1.00 0.00 C ATOM 199 O PRO A 16 -17.485 -3.576 -12.709 1.00 0.00 O ATOM 200 CB PRO A 16 -17.510 -6.332 -14.698 1.00 0.00 C ATOM 201 CG PRO A 16 -17.326 -7.818 -14.603 1.00 0.00 C ATOM 202 CD PRO A 16 -16.261 -8.082 -13.572 1.00 0.00 C ATOM 0 HA PRO A 16 -15.911 -5.072 -13.828 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.567 -6.070 -14.649 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.132 -5.956 -15.649 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.261 -8.302 -14.320 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.034 -8.230 -15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.495 -8.961 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.291 -8.262 -14.035 1.00 0.00 H new ATOM 210 N PRO A 17 -18.680 -5.365 -12.028 1.00 0.00 N ATOM 211 CA PRO A 17 -19.641 -4.590 -11.226 1.00 0.00 C ATOM 212 C PRO A 17 -18.970 -3.624 -10.258 1.00 0.00 C ATOM 213 O PRO A 17 -17.808 -3.273 -10.424 1.00 0.00 O ATOM 214 CB PRO A 17 -20.403 -5.665 -10.452 1.00 0.00 C ATOM 215 CG PRO A 17 -20.319 -6.876 -11.310 1.00 0.00 C ATOM 216 CD PRO A 17 -18.983 -6.809 -11.995 1.00 0.00 C ATOM 0 HA PRO A 17 -20.269 -3.961 -11.857 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -19.956 -5.841 -9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.439 -5.371 -10.281 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.406 -7.784 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.130 -6.895 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.223 -7.365 -11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.026 -7.232 -12.998 1.00 0.00 H new ATOM 224 N GLN A 18 -19.714 -3.198 -9.240 1.00 0.00 N ATOM 225 CA GLN A 18 -19.191 -2.267 -8.245 1.00 0.00 C ATOM 226 C GLN A 18 -17.882 -2.767 -7.641 1.00 0.00 C ATOM 227 O GLN A 18 -17.132 -1.988 -7.056 1.00 0.00 O ATOM 228 CB GLN A 18 -20.222 -2.010 -7.142 1.00 0.00 C ATOM 229 CG GLN A 18 -20.638 -3.258 -6.382 1.00 0.00 C ATOM 230 CD GLN A 18 -21.867 -3.918 -6.975 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.854 -5.108 -7.291 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.937 -3.146 -7.128 1.00 0.00 N ATOM 0 H GLN A 18 -20.681 -3.483 -9.083 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.986 -1.327 -8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.812 -1.287 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.108 -1.555 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.813 -3.970 -6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.836 -2.997 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.902 -2.165 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.794 -3.534 -7.522 1.00 0.00 H new ATOM 241 N GLU A 19 -17.586 -4.058 -7.800 1.00 0.00 N ATOM 242 CA GLU A 19 -16.344 -4.614 -7.277 1.00 0.00 C ATOM 243 C GLU A 19 -15.203 -4.388 -8.265 1.00 0.00 C ATOM 244 O GLU A 19 -14.291 -5.209 -8.373 1.00 0.00 O ATOM 245 CB GLU A 19 -16.493 -6.113 -7.000 1.00 0.00 C ATOM 246 CG GLU A 19 -16.965 -6.426 -5.589 1.00 0.00 C ATOM 247 CD GLU A 19 -16.389 -7.724 -5.055 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.544 -8.330 -5.747 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.784 -8.135 -3.943 1.00 0.00 O ATOM 0 H GLU A 19 -18.184 -4.729 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.115 -4.104 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.199 -6.538 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.534 -6.603 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.683 -5.608 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.053 -6.484 -5.579 1.00 0.00 H new ATOM 256 N GLN A 20 -15.228 -3.245 -8.946 1.00 0.00 N ATOM 257 CA GLN A 20 -14.164 -2.891 -9.872 1.00 0.00 C ATOM 258 C GLN A 20 -12.899 -2.559 -9.089 1.00 0.00 C ATOM 259 O GLN A 20 -12.068 -3.422 -8.809 1.00 0.00 O ATOM 260 CB GLN A 20 -14.551 -1.712 -10.796 1.00 0.00 C ATOM 261 CG GLN A 20 -15.845 -1.000 -10.434 1.00 0.00 C ATOM 262 CD GLN A 20 -16.315 -0.074 -11.536 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.495 -0.050 -11.886 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.386 0.695 -12.090 1.00 0.00 N ATOM 0 H GLN A 20 -15.973 -2.552 -8.872 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.987 -3.751 -10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.740 -0.984 -10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.634 -2.084 -11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.619 -1.739 -10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.699 -0.427 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.420 0.641 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.638 1.340 -12.839 1.00 0.00 H new ATOM 273 N LYS A 21 -12.788 -1.283 -8.729 1.00 0.00 N ATOM 274 CA LYS A 21 -11.664 -0.760 -7.961 1.00 0.00 C ATOM 275 C LYS A 21 -11.811 -1.067 -6.470 1.00 0.00 C ATOM 276 O LYS A 21 -11.121 -0.477 -5.641 1.00 0.00 O ATOM 277 CB LYS A 21 -11.547 0.748 -8.184 1.00 0.00 C ATOM 278 CG LYS A 21 -12.070 1.198 -9.545 1.00 0.00 C ATOM 279 CD LYS A 21 -10.952 1.694 -10.444 1.00 0.00 C ATOM 280 CE LYS A 21 -11.058 1.091 -11.835 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.737 1.025 -12.520 1.00 0.00 N ATOM 0 H LYS A 21 -13.484 -0.576 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.755 -1.251 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.098 1.268 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.502 1.043 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.584 0.368 -10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.805 1.991 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.991 2.781 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.988 1.437 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.479 0.088 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.748 1.684 -12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.856 0.607 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.345 1.984 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.085 0.437 -11.962 1.00 0.00 H new ATOM 295 N GLN A 22 -12.709 -1.988 -6.131 1.00 0.00 N ATOM 296 CA GLN A 22 -12.934 -2.353 -4.730 1.00 0.00 C ATOM 297 C GLN A 22 -11.679 -2.940 -4.107 1.00 0.00 C ATOM 298 O GLN A 22 -11.040 -2.318 -3.259 1.00 0.00 O ATOM 299 CB GLN A 22 -14.080 -3.362 -4.603 1.00 0.00 C ATOM 300 CG GLN A 22 -15.192 -2.915 -3.660 1.00 0.00 C ATOM 301 CD GLN A 22 -14.943 -3.319 -2.220 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.804 -2.904 -1.675 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -15.768 -3.990 -1.599 1.00 0.00 N flip ATOM 0 H GLN A 22 -13.290 -2.494 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.200 -1.439 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.504 -3.542 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.678 -4.312 -4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.295 -1.831 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.138 -3.342 -3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.630 -4.288 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.589 -4.248 -0.628 1.00 0.00 H new ATOM 312 N MET A 23 -11.337 -4.148 -4.532 1.00 0.00 N ATOM 313 CA MET A 23 -10.164 -4.836 -4.017 1.00 0.00 C ATOM 314 C MET A 23 -8.940 -3.927 -4.095 1.00 0.00 C ATOM 315 O MET A 23 -8.649 -3.201 -3.152 1.00 0.00 O ATOM 316 CB MET A 23 -9.914 -6.165 -4.759 1.00 0.00 C ATOM 317 CG MET A 23 -10.725 -6.347 -6.038 1.00 0.00 C ATOM 318 SD MET A 23 -12.428 -6.857 -5.721 1.00 0.00 S ATOM 319 CE MET A 23 -12.210 -8.608 -5.426 1.00 0.00 C ATOM 0 H MET A 23 -11.858 -4.673 -5.235 1.00 0.00 H new ATOM 0 HA MET A 23 -10.349 -5.080 -2.971 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.854 -6.234 -5.005 1.00 0.00 H new ATOM 0 HB3 MET A 23 -10.138 -6.990 -4.083 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.729 -5.411 -6.596 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.239 -7.092 -6.668 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.866 -9.173 -6.088 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.174 -8.883 -5.621 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.457 -8.836 -4.389 1.00 0.00 H new ATOM 329 N LEU A 24 -8.231 -3.964 -5.214 1.00 0.00 N ATOM 330 CA LEU A 24 -7.036 -3.135 -5.394 1.00 0.00 C ATOM 331 C LEU A 24 -7.337 -1.638 -5.368 1.00 0.00 C ATOM 332 O LEU A 24 -6.978 -0.932 -6.310 1.00 0.00 O ATOM 333 CB LEU A 24 -6.333 -3.481 -6.704 1.00 0.00 C ATOM 334 CG LEU A 24 -7.231 -3.866 -7.873 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.264 -2.786 -8.161 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.371 -4.147 -9.093 1.00 0.00 C ATOM 0 H LEU A 24 -8.458 -4.556 -6.013 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.386 -3.356 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.729 -2.625 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.645 -4.305 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.784 -4.768 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.887 -3.093 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.889 -2.636 -7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.756 -1.854 -8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.009 -4.423 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.800 -3.254 -9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.685 -4.966 -8.874 1.00 0.00 H new ATOM 348 N GLY A 25 -7.971 -1.145 -4.296 1.00 0.00 N ATOM 349 CA GLY A 25 -8.275 0.273 -4.204 1.00 0.00 C ATOM 350 C GLY A 25 -8.429 0.941 -5.561 1.00 0.00 C ATOM 351 O GLY A 25 -8.928 0.329 -6.508 1.00 0.00 O ATOM 0 H GLY A 25 -8.275 -1.702 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.195 0.405 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.482 0.773 -3.648 1.00 0.00 H new ATOM 355 N GLU A 26 -7.982 2.188 -5.671 1.00 0.00 N ATOM 356 CA GLU A 26 -8.054 2.900 -6.938 1.00 0.00 C ATOM 357 C GLU A 26 -6.993 2.357 -7.894 1.00 0.00 C ATOM 358 O GLU A 26 -7.286 1.530 -8.757 1.00 0.00 O ATOM 359 CB GLU A 26 -7.911 4.421 -6.759 1.00 0.00 C ATOM 360 CG GLU A 26 -7.909 4.891 -5.311 1.00 0.00 C ATOM 361 CD GLU A 26 -8.195 6.375 -5.168 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.370 7.046 -6.196 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.246 6.864 -4.023 1.00 0.00 O ATOM 0 H GLU A 26 -7.570 2.721 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.042 2.730 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.984 4.744 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.728 4.914 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.655 4.327 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.940 4.669 -4.864 1.00 0.00 H new ATOM 370 N ARG A 27 -5.762 2.848 -7.749 1.00 0.00 N ATOM 371 CA ARG A 27 -4.675 2.419 -8.628 1.00 0.00 C ATOM 372 C ARG A 27 -3.316 2.317 -7.913 1.00 0.00 C ATOM 373 O ARG A 27 -2.278 2.210 -8.567 1.00 0.00 O ATOM 374 CB ARG A 27 -4.574 3.385 -9.809 1.00 0.00 C ATOM 375 CG ARG A 27 -5.499 3.045 -10.968 1.00 0.00 C ATOM 376 CD ARG A 27 -5.076 1.771 -11.683 1.00 0.00 C ATOM 377 NE ARG A 27 -5.398 1.817 -13.110 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.070 0.868 -13.760 1.00 0.00 C ATOM 379 NH1 ARG A 27 -6.498 -0.217 -13.124 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.311 1.001 -15.058 1.00 0.00 N ATOM 0 H ARG A 27 -5.495 3.533 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.916 1.413 -8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.800 4.393 -9.461 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.545 3.395 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.517 2.931 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.509 3.872 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.004 1.622 -11.557 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.573 0.915 -11.226 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.087 2.630 -13.642 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.313 -0.330 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.012 -0.937 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.982 1.828 -15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.825 0.276 -15.558 1.00 0.00 H new ATOM 394 N LEU A 28 -3.315 2.327 -6.581 1.00 0.00 N ATOM 395 CA LEU A 28 -2.062 2.221 -5.821 1.00 0.00 C ATOM 396 C LEU A 28 -1.556 0.791 -5.764 1.00 0.00 C ATOM 397 O LEU A 28 -0.364 0.542 -5.935 1.00 0.00 O ATOM 398 CB LEU A 28 -2.245 2.746 -4.400 1.00 0.00 C ATOM 399 CG LEU A 28 -2.900 4.113 -4.326 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.595 4.316 -2.992 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.863 5.199 -4.577 1.00 0.00 C ATOM 0 H LEU A 28 -4.155 2.406 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.323 2.829 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.848 2.035 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.271 2.795 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.663 4.176 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.055 5.304 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.364 3.554 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.866 4.236 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.340 6.177 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.079 5.135 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.426 5.063 -5.566 1.00 0.00 H new ATOM 413 N PHE A 29 -2.463 -0.148 -5.527 1.00 0.00 N ATOM 414 CA PHE A 29 -2.104 -1.558 -5.449 1.00 0.00 C ATOM 415 C PHE A 29 -1.245 -1.977 -6.639 1.00 0.00 C ATOM 416 O PHE A 29 -0.208 -2.603 -6.459 1.00 0.00 O ATOM 417 CB PHE A 29 -3.366 -2.414 -5.369 1.00 0.00 C ATOM 418 CG PHE A 29 -3.162 -3.767 -4.748 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.303 -3.958 -3.678 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.851 -4.854 -5.243 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.147 -5.218 -3.121 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.706 -6.105 -4.696 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.852 -6.292 -3.630 1.00 0.00 C ATOM 0 H PHE A 29 -3.455 0.042 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.514 -1.711 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.120 -1.875 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.765 -2.546 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.752 -3.121 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.520 -4.718 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.474 -5.360 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.259 -6.940 -5.100 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.735 -7.273 -3.195 1.00 0.00 H new ATOM 433 N PRO A 30 -1.655 -1.614 -7.867 1.00 0.00 N ATOM 434 CA PRO A 30 -0.899 -1.939 -9.083 1.00 0.00 C ATOM 435 C PRO A 30 0.493 -1.321 -9.057 1.00 0.00 C ATOM 436 O PRO A 30 1.488 -1.970 -9.383 1.00 0.00 O ATOM 437 CB PRO A 30 -1.720 -1.304 -10.213 1.00 0.00 C ATOM 438 CG PRO A 30 -3.066 -1.033 -9.634 1.00 0.00 C ATOM 439 CD PRO A 30 -2.866 -0.839 -8.161 1.00 0.00 C ATOM 0 HA PRO A 30 -0.758 -3.014 -9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.254 -0.384 -10.566 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.791 -1.974 -11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.511 -0.146 -10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.745 -1.863 -9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.738 0.214 -7.910 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.721 -1.201 -7.590 1.00 0.00 H new ATOM 447 N LEU A 31 0.538 -0.048 -8.681 1.00 0.00 N ATOM 448 CA LEU A 31 1.789 0.705 -8.617 1.00 0.00 C ATOM 449 C LEU A 31 2.681 0.201 -7.482 1.00 0.00 C ATOM 450 O LEU A 31 3.873 -0.092 -7.664 1.00 0.00 O ATOM 451 CB LEU A 31 1.478 2.191 -8.419 1.00 0.00 C ATOM 452 CG LEU A 31 0.404 2.756 -9.358 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.204 4.042 -8.806 1.00 0.00 C ATOM 454 CD2 LEU A 31 0.994 2.997 -10.731 1.00 0.00 C ATOM 0 H LEU A 31 -0.286 0.490 -8.413 1.00 0.00 H new ATOM 0 HA LEU A 31 2.327 0.563 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.158 2.346 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.397 2.761 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.397 2.021 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.960 4.413 -9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.664 3.841 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.578 4.792 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.226 3.398 -11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.815 3.710 -10.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.367 2.057 -11.137 1.00 0.00 H new ATOM 466 N ILE A 32 2.087 0.077 -6.312 1.00 0.00 N ATOM 467 CA ILE A 32 2.811 -0.403 -5.161 1.00 0.00 C ATOM 468 C ILE A 32 3.178 -1.862 -5.360 1.00 0.00 C ATOM 469 O ILE A 32 4.295 -2.266 -5.053 1.00 0.00 O ATOM 470 CB ILE A 32 2.019 -0.210 -3.862 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.959 -0.376 -2.662 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.838 -1.167 -3.806 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.189 -1.815 -2.247 1.00 0.00 C ATOM 0 H ILE A 32 1.108 0.302 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 32 3.722 0.187 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 32 1.607 0.798 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.920 0.079 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.549 0.173 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.289 -1.014 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.177 -0.980 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.200 -2.194 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.865 -1.844 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.238 -2.271 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.630 -2.367 -3.077 1.00 0.00 H new ATOM 485 N GLN A 33 2.257 -2.649 -5.921 1.00 0.00 N ATOM 486 CA GLN A 33 2.544 -4.050 -6.195 1.00 0.00 C ATOM 487 C GLN A 33 3.931 -4.153 -6.834 1.00 0.00 C ATOM 488 O GLN A 33 4.736 -5.017 -6.486 1.00 0.00 O ATOM 489 CB GLN A 33 1.497 -4.659 -7.135 1.00 0.00 C ATOM 490 CG GLN A 33 0.796 -5.880 -6.558 1.00 0.00 C ATOM 491 CD GLN A 33 0.070 -6.687 -7.618 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.476 -6.131 -8.570 1.00 0.00 O ATOM 493 NE2 GLN A 33 0.060 -8.005 -7.456 1.00 0.00 N ATOM 0 H GLN A 33 1.322 -2.342 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 33 2.515 -4.604 -5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.751 -3.901 -7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.980 -4.937 -8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.529 -6.515 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.083 -5.561 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.526 -8.423 -6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.414 -8.599 -8.137 1.00 0.00 H new ATOM 502 N ALA A 34 4.189 -3.241 -7.781 1.00 0.00 N ATOM 503 CA ALA A 34 5.467 -3.191 -8.492 1.00 0.00 C ATOM 504 C ALA A 34 6.642 -3.031 -7.537 1.00 0.00 C ATOM 505 O ALA A 34 7.735 -3.539 -7.785 1.00 0.00 O ATOM 506 CB ALA A 34 5.461 -2.061 -9.513 1.00 0.00 C ATOM 0 H ALA A 34 3.523 -2.525 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 34 5.591 -4.142 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.418 -2.036 -10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.660 -2.226 -10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.301 -1.111 -9.003 1.00 0.00 H new ATOM 512 N MET A 35 6.410 -2.313 -6.454 1.00 0.00 N ATOM 513 CA MET A 35 7.462 -2.071 -5.455 1.00 0.00 C ATOM 514 C MET A 35 7.338 -3.024 -4.259 1.00 0.00 C ATOM 515 O MET A 35 8.299 -3.703 -3.893 1.00 0.00 O ATOM 516 CB MET A 35 7.410 -0.626 -4.959 1.00 0.00 C ATOM 517 CG MET A 35 7.043 0.382 -6.031 1.00 0.00 C ATOM 518 SD MET A 35 8.341 0.603 -7.259 1.00 0.00 S ATOM 519 CE MET A 35 7.722 2.042 -8.125 1.00 0.00 C ATOM 0 H MET A 35 5.511 -1.884 -6.234 1.00 0.00 H new ATOM 0 HA MET A 35 8.418 -2.255 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.686 -0.557 -4.147 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.382 -0.361 -4.543 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.129 0.058 -6.530 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.827 1.342 -5.561 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.455 2.365 -8.864 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.788 1.791 -8.627 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.545 2.848 -7.412 1.00 0.00 H new ATOM 529 N HIS A 36 6.147 -3.084 -3.673 1.00 0.00 N ATOM 530 CA HIS A 36 5.874 -3.965 -2.538 1.00 0.00 C ATOM 531 C HIS A 36 6.778 -3.695 -1.337 1.00 0.00 C ATOM 532 O HIS A 36 7.313 -4.628 -0.737 1.00 0.00 O ATOM 533 CB HIS A 36 5.997 -5.430 -2.957 1.00 0.00 C ATOM 534 CG HIS A 36 4.695 -6.021 -3.392 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.453 -5.491 -3.406 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.567 -7.307 -3.875 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.601 -6.458 -3.889 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.299 -7.544 -4.165 1.00 0.00 N flip ATOM 0 H HIS A 36 5.345 -2.527 -3.968 1.00 0.00 H new ATOM 0 HA HIS A 36 4.852 -3.752 -2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.717 -5.511 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.393 -6.009 -2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.377 -8.011 -3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.535 -6.346 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.924 -8.416 -4.538 1.00 0.00 H new ATOM 546 N PRO A 37 6.946 -2.427 -0.943 1.00 0.00 N ATOM 547 CA PRO A 37 7.765 -2.092 0.214 1.00 0.00 C ATOM 548 C PRO A 37 7.203 -2.725 1.483 1.00 0.00 C ATOM 549 O PRO A 37 7.781 -3.668 2.025 1.00 0.00 O ATOM 550 CB PRO A 37 7.699 -0.560 0.289 1.00 0.00 C ATOM 551 CG PRO A 37 6.508 -0.174 -0.520 1.00 0.00 C ATOM 552 CD PRO A 37 6.344 -1.240 -1.563 1.00 0.00 C ATOM 0 HA PRO A 37 8.786 -2.462 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.600 -0.221 1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.607 -0.108 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.619 -0.103 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.652 0.803 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.294 -1.404 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.849 -0.973 -2.491 1.00 0.00 H new ATOM 560 N THR A 38 6.091 -2.182 1.974 1.00 0.00 N ATOM 561 CA THR A 38 5.473 -2.676 3.202 1.00 0.00 C ATOM 562 C THR A 38 4.330 -3.654 2.923 1.00 0.00 C ATOM 563 O THR A 38 4.368 -4.806 3.358 1.00 0.00 O ATOM 564 CB THR A 38 4.965 -1.501 4.055 1.00 0.00 C ATOM 565 OG1 THR A 38 3.604 -1.218 3.774 1.00 0.00 O ATOM 566 CG2 THR A 38 5.745 -0.215 3.853 1.00 0.00 C ATOM 0 H THR A 38 5.600 -1.400 1.540 1.00 0.00 H new ATOM 0 HA THR A 38 6.241 -3.219 3.752 1.00 0.00 H new ATOM 0 HB THR A 38 5.099 -1.830 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.304 -0.469 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.328 0.567 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.790 -0.378 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.678 0.091 2.809 1.00 0.00 H new ATOM 574 N LEU A 39 3.307 -3.190 2.213 1.00 0.00 N ATOM 575 CA LEU A 39 2.152 -4.027 1.898 1.00 0.00 C ATOM 576 C LEU A 39 1.252 -3.341 0.872 1.00 0.00 C ATOM 577 O LEU A 39 0.571 -2.370 1.188 1.00 0.00 O ATOM 578 CB LEU A 39 1.356 -4.320 3.174 1.00 0.00 C ATOM 579 CG LEU A 39 1.512 -5.739 3.736 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.871 -5.693 5.217 1.00 0.00 C ATOM 581 CD2 LEU A 39 0.238 -6.547 3.516 1.00 0.00 C ATOM 0 H LEU A 39 3.253 -2.240 1.845 1.00 0.00 H new ATOM 0 HA LEU A 39 2.511 -4.964 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.658 -3.608 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.300 -4.142 2.972 1.00 0.00 H new ATOM 0 HG LEU A 39 2.325 -6.231 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.977 -6.709 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.811 -5.157 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.082 -5.180 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.369 -7.550 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.595 -6.057 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.028 -6.612 2.448 1.00 0.00 H new ATOM 593 N ALA A 40 1.245 -3.854 -0.355 1.00 0.00 N ATOM 594 CA ALA A 40 0.425 -3.291 -1.431 1.00 0.00 C ATOM 595 C ALA A 40 -1.043 -3.135 -1.027 1.00 0.00 C ATOM 596 O ALA A 40 -1.637 -2.075 -1.231 1.00 0.00 O ATOM 597 CB ALA A 40 0.578 -4.140 -2.689 1.00 0.00 C ATOM 0 H ALA A 40 1.800 -4.663 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 40 0.784 -2.283 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.033 -3.720 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.623 -4.148 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.253 -5.159 -2.482 1.00 0.00 H new ATOM 603 N GLY A 41 -1.634 -4.180 -0.469 1.00 0.00 N ATOM 604 CA GLY A 41 -3.027 -4.106 -0.065 1.00 0.00 C ATOM 605 C GLY A 41 -3.307 -2.942 0.878 1.00 0.00 C ATOM 606 O GLY A 41 -4.090 -2.046 0.561 1.00 0.00 O ATOM 0 H GLY A 41 -1.179 -5.075 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.653 -4.008 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.309 -5.039 0.423 1.00 0.00 H new ATOM 610 N LYS A 42 -2.672 -2.982 2.043 1.00 0.00 N ATOM 611 CA LYS A 42 -2.850 -1.951 3.069 1.00 0.00 C ATOM 612 C LYS A 42 -2.293 -0.592 2.641 1.00 0.00 C ATOM 613 O LYS A 42 -2.892 0.454 2.917 1.00 0.00 O ATOM 614 CB LYS A 42 -2.164 -2.389 4.364 1.00 0.00 C ATOM 615 CG LYS A 42 -3.106 -3.036 5.365 1.00 0.00 C ATOM 616 CD LYS A 42 -3.144 -2.265 6.676 1.00 0.00 C ATOM 617 CE LYS A 42 -4.481 -1.572 6.881 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.417 -0.559 7.971 1.00 0.00 N ATOM 0 H LYS A 42 -2.022 -3.723 2.306 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.923 -1.834 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.366 -3.091 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.695 -1.521 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.109 -3.086 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.789 -4.061 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.957 -2.947 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.345 -1.524 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.786 -1.089 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.243 -2.315 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.232 0.083 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.438 -1.039 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.536 -0.012 7.886 1.00 0.00 H new ATOM 632 N ILE A 43 -1.146 -0.604 1.978 1.00 0.00 N ATOM 633 CA ILE A 43 -0.517 0.635 1.534 1.00 0.00 C ATOM 634 C ILE A 43 -1.484 1.471 0.699 1.00 0.00 C ATOM 635 O ILE A 43 -1.519 2.695 0.804 1.00 0.00 O ATOM 636 CB ILE A 43 0.764 0.352 0.719 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.694 1.559 0.732 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.444 -0.039 -0.715 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.146 1.165 0.834 1.00 0.00 C ATOM 0 H ILE A 43 -0.633 -1.452 1.736 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.244 1.197 2.427 1.00 0.00 H new ATOM 0 HB ILE A 43 1.267 -0.489 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.541 2.142 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.436 2.204 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.371 -0.230 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.170 -0.940 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.099 0.772 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.767 2.061 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.307 0.606 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.415 0.543 -0.019 1.00 0.00 H new ATOM 651 N THR A 44 -2.267 0.792 -0.127 1.00 0.00 N ATOM 652 CA THR A 44 -3.238 1.451 -0.994 1.00 0.00 C ATOM 653 C THR A 44 -4.162 2.372 -0.200 1.00 0.00 C ATOM 654 O THR A 44 -4.436 3.497 -0.615 1.00 0.00 O ATOM 655 CB THR A 44 -4.065 0.408 -1.747 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.226 -0.489 -2.451 1.00 0.00 O ATOM 657 CG2 THR A 44 -5.021 1.015 -2.746 1.00 0.00 C ATOM 0 H THR A 44 -2.249 -0.224 -0.216 1.00 0.00 H new ATOM 0 HA THR A 44 -2.686 2.061 -1.709 1.00 0.00 H new ATOM 0 HB THR A 44 -4.641 -0.110 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.826 -1.125 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.577 0.222 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.717 1.676 -2.229 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.460 1.586 -3.486 1.00 0.00 H new ATOM 665 N GLY A 45 -4.645 1.891 0.939 1.00 0.00 N ATOM 666 CA GLY A 45 -5.536 2.695 1.754 1.00 0.00 C ATOM 667 C GLY A 45 -4.904 3.999 2.173 1.00 0.00 C ATOM 668 O GLY A 45 -5.552 5.048 2.176 1.00 0.00 O ATOM 0 H GLY A 45 -4.437 0.964 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.450 2.899 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.823 2.130 2.641 1.00 0.00 H new ATOM 672 N MET A 46 -3.630 3.931 2.519 1.00 0.00 N ATOM 673 CA MET A 46 -2.894 5.107 2.940 1.00 0.00 C ATOM 674 C MET A 46 -2.688 6.055 1.770 1.00 0.00 C ATOM 675 O MET A 46 -3.088 7.215 1.829 1.00 0.00 O ATOM 676 CB MET A 46 -1.552 4.702 3.545 1.00 0.00 C ATOM 677 CG MET A 46 -1.660 3.559 4.540 1.00 0.00 C ATOM 678 SD MET A 46 -2.874 3.875 5.836 1.00 0.00 S ATOM 679 CE MET A 46 -3.148 2.217 6.454 1.00 0.00 C ATOM 0 H MET A 46 -3.084 3.070 2.516 1.00 0.00 H new ATOM 0 HA MET A 46 -3.476 5.626 3.702 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.873 4.413 2.743 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.110 5.566 4.042 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.930 2.646 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.685 3.386 4.996 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.878 2.246 7.263 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.524 1.586 5.649 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.209 1.808 6.827 1.00 0.00 H new ATOM 689 N LEU A 47 -2.053 5.570 0.708 1.00 0.00 N ATOM 690 CA LEU A 47 -1.802 6.405 -0.446 1.00 0.00 C ATOM 691 C LEU A 47 -3.116 6.936 -1.009 1.00 0.00 C ATOM 692 O LEU A 47 -3.120 7.907 -1.767 1.00 0.00 O ATOM 693 CB LEU A 47 -1.044 5.633 -1.529 1.00 0.00 C ATOM 694 CG LEU A 47 0.368 5.155 -1.186 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.409 6.145 -1.701 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.559 4.912 0.303 1.00 0.00 C ATOM 0 H LEU A 47 -1.709 4.613 0.628 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.184 7.244 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.639 4.761 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.981 6.266 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 47 0.506 4.196 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.407 5.788 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.320 6.236 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.244 7.119 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.579 4.574 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.378 5.838 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.143 4.149 0.640 1.00 0.00 H new ATOM 708 N LEU A 48 -4.236 6.280 -0.668 1.00 0.00 N ATOM 709 CA LEU A 48 -5.557 6.678 -1.173 1.00 0.00 C ATOM 710 C LEU A 48 -5.949 8.110 -0.788 1.00 0.00 C ATOM 711 O LEU A 48 -7.124 8.472 -0.859 1.00 0.00 O ATOM 712 CB LEU A 48 -6.633 5.693 -0.685 1.00 0.00 C ATOM 713 CG LEU A 48 -7.510 5.107 -1.797 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.716 4.123 -2.630 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.753 4.431 -1.239 1.00 0.00 C ATOM 0 H LEU A 48 -4.252 5.472 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.490 6.651 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.145 4.875 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.274 6.202 0.035 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.835 5.935 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.352 3.715 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.864 4.632 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.360 3.312 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.348 4.029 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.458 3.620 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.345 5.159 -0.684 1.00 0.00 H new ATOM 727 N GLU A 49 -4.973 8.928 -0.406 1.00 0.00 N ATOM 728 CA GLU A 49 -5.234 10.313 -0.047 1.00 0.00 C ATOM 729 C GLU A 49 -5.505 11.154 -1.296 1.00 0.00 C ATOM 730 O GLU A 49 -5.860 12.328 -1.197 1.00 0.00 O ATOM 731 CB GLU A 49 -4.029 10.887 0.705 1.00 0.00 C ATOM 732 CG GLU A 49 -2.749 10.887 -0.119 1.00 0.00 C ATOM 733 CD GLU A 49 -2.142 12.270 -0.263 1.00 0.00 C ATOM 734 OE1 GLU A 49 -1.903 12.926 0.773 1.00 0.00 O ATOM 735 OE2 GLU A 49 -1.902 12.697 -1.411 1.00 0.00 O ATOM 0 H GLU A 49 -3.993 8.653 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.116 10.344 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.255 11.908 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.868 10.308 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.022 10.223 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.960 10.483 -1.109 1.00 0.00 H new ATOM 742 N ILE A 50 -5.316 10.552 -2.473 1.00 0.00 N ATOM 743 CA ILE A 50 -5.520 11.255 -3.735 1.00 0.00 C ATOM 744 C ILE A 50 -6.775 10.761 -4.477 1.00 0.00 C ATOM 745 O ILE A 50 -7.300 9.687 -4.187 1.00 0.00 O ATOM 746 CB ILE A 50 -4.261 11.124 -4.627 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.013 12.422 -5.395 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.365 9.937 -5.573 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.792 13.619 -4.493 1.00 0.00 C ATOM 0 H ILE A 50 -5.022 9.580 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.683 12.308 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.406 10.941 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.142 12.295 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.864 12.619 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.463 9.878 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.473 9.019 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.233 10.063 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.622 14.507 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.672 13.771 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.923 13.442 -3.859 1.00 0.00 H new ATOM 761 N ASP A 51 -7.224 11.552 -5.456 1.00 0.00 N ATOM 762 CA ASP A 51 -8.391 11.210 -6.276 1.00 0.00 C ATOM 763 C ASP A 51 -8.066 10.114 -7.295 1.00 0.00 C ATOM 764 O ASP A 51 -6.970 10.093 -7.852 1.00 0.00 O ATOM 765 CB ASP A 51 -8.915 12.455 -6.995 1.00 0.00 C ATOM 766 CG ASP A 51 -10.176 12.171 -7.788 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.000 11.357 -7.322 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.338 12.767 -8.873 1.00 0.00 O ATOM 0 H ASP A 51 -6.792 12.443 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.162 10.826 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.117 13.237 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.145 12.837 -7.665 1.00 0.00 H new ATOM 773 N ASN A 52 -9.025 9.220 -7.563 1.00 0.00 N ATOM 774 CA ASN A 52 -8.820 8.144 -8.545 1.00 0.00 C ATOM 775 C ASN A 52 -8.187 8.663 -9.837 1.00 0.00 C ATOM 776 O ASN A 52 -7.561 7.905 -10.578 1.00 0.00 O ATOM 777 CB ASN A 52 -10.147 7.451 -8.871 1.00 0.00 C ATOM 778 CG ASN A 52 -9.944 6.028 -9.365 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.040 5.313 -9.601 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.812 5.574 -9.533 1.00 0.00 N flip ATOM 0 H ASN A 52 -9.943 9.218 -7.119 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.134 7.427 -8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.777 7.439 -7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.678 8.025 -9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.996 6.155 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.690 4.617 -9.865 1.00 0.00 H new ATOM 787 N SER A 53 -8.374 9.947 -10.116 1.00 0.00 N ATOM 788 CA SER A 53 -7.839 10.551 -11.335 1.00 0.00 C ATOM 789 C SER A 53 -6.323 10.746 -11.270 1.00 0.00 C ATOM 790 O SER A 53 -5.640 10.705 -12.295 1.00 0.00 O ATOM 791 CB SER A 53 -8.527 11.891 -11.591 1.00 0.00 C ATOM 792 OG SER A 53 -8.170 12.843 -10.605 1.00 0.00 O ATOM 0 H SER A 53 -8.891 10.591 -9.517 1.00 0.00 H new ATOM 0 HA SER A 53 -8.042 9.865 -12.157 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.250 12.263 -12.577 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.608 11.754 -11.594 1.00 0.00 H new ATOM 0 HG SER A 53 -8.887 12.910 -9.940 1.00 0.00 H new ATOM 798 N GLU A 54 -5.799 10.967 -10.069 1.00 0.00 N ATOM 799 CA GLU A 54 -4.365 11.177 -9.893 1.00 0.00 C ATOM 800 C GLU A 54 -3.598 9.866 -10.018 1.00 0.00 C ATOM 801 O GLU A 54 -2.527 9.816 -10.622 1.00 0.00 O ATOM 802 CB GLU A 54 -4.094 11.818 -8.528 1.00 0.00 C ATOM 803 CG GLU A 54 -3.621 13.261 -8.615 1.00 0.00 C ATOM 804 CD GLU A 54 -2.189 13.441 -8.148 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.510 12.424 -7.892 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.746 14.604 -8.035 1.00 0.00 O ATOM 0 H GLU A 54 -6.342 11.005 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.019 11.847 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.005 11.779 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.342 11.229 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.708 13.605 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.276 13.890 -8.012 1.00 0.00 H new ATOM 813 N LEU A 55 -4.152 8.815 -9.436 1.00 0.00 N ATOM 814 CA LEU A 55 -3.527 7.502 -9.470 1.00 0.00 C ATOM 815 C LEU A 55 -3.386 6.997 -10.903 1.00 0.00 C ATOM 816 O LEU A 55 -2.413 6.322 -11.239 1.00 0.00 O ATOM 817 CB LEU A 55 -4.339 6.519 -8.632 1.00 0.00 C ATOM 818 CG LEU A 55 -4.553 6.941 -7.179 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.870 7.672 -7.014 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.510 5.736 -6.267 1.00 0.00 C ATOM 0 H LEU A 55 -5.038 8.846 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.526 7.586 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.312 6.380 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.837 5.551 -8.645 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.747 7.621 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.997 7.961 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.872 8.564 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.689 7.018 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.664 6.054 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.295 5.036 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.539 5.248 -6.355 1.00 0.00 H new ATOM 832 N LEU A 56 -4.349 7.347 -11.751 1.00 0.00 N ATOM 833 CA LEU A 56 -4.304 6.943 -13.151 1.00 0.00 C ATOM 834 C LEU A 56 -3.087 7.560 -13.824 1.00 0.00 C ATOM 835 O LEU A 56 -2.358 6.889 -14.555 1.00 0.00 O ATOM 836 CB LEU A 56 -5.578 7.363 -13.883 1.00 0.00 C ATOM 837 CG LEU A 56 -6.830 6.581 -13.491 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.067 7.460 -13.604 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.970 5.335 -14.356 1.00 0.00 C ATOM 0 H LEU A 56 -5.164 7.905 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.231 5.856 -13.195 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.755 8.422 -13.696 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.418 7.251 -14.955 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.732 6.267 -12.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.949 6.885 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.965 8.319 -12.941 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.175 7.806 -14.632 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.867 4.789 -14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.047 5.626 -15.404 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.096 4.698 -14.220 1.00 0.00 H new ATOM 851 N HIS A 57 -2.866 8.845 -13.555 1.00 0.00 N ATOM 852 CA HIS A 57 -1.726 9.557 -14.117 1.00 0.00 C ATOM 853 C HIS A 57 -0.423 8.892 -13.681 1.00 0.00 C ATOM 854 O HIS A 57 0.512 8.749 -14.468 1.00 0.00 O ATOM 855 CB HIS A 57 -1.742 11.017 -13.658 1.00 0.00 C ATOM 856 CG HIS A 57 -2.250 11.970 -14.694 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.760 12.018 -15.981 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.211 12.925 -14.624 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.392 12.959 -16.658 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.277 13.523 -15.858 1.00 0.00 N ATOM 0 H HIS A 57 -3.462 9.412 -12.952 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.794 9.524 -15.204 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.362 11.101 -12.765 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.731 11.310 -13.373 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.811 13.169 -13.760 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.215 13.222 -17.690 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.909 14.281 -16.115 1.00 0.00 H new ATOM 868 N MET A 58 -0.379 8.484 -12.416 1.00 0.00 N ATOM 869 CA MET A 58 0.796 7.829 -11.852 1.00 0.00 C ATOM 870 C MET A 58 1.056 6.489 -12.538 1.00 0.00 C ATOM 871 O MET A 58 2.192 6.164 -12.883 1.00 0.00 O ATOM 872 CB MET A 58 0.599 7.628 -10.347 1.00 0.00 C ATOM 873 CG MET A 58 0.402 8.929 -9.586 1.00 0.00 C ATOM 874 SD MET A 58 -0.344 8.694 -7.959 1.00 0.00 S ATOM 875 CE MET A 58 0.630 7.333 -7.320 1.00 0.00 C ATOM 0 H MET A 58 -1.150 8.597 -11.758 1.00 0.00 H new ATOM 0 HA MET A 58 1.665 8.465 -12.020 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.266 6.985 -10.184 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.465 7.106 -9.941 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.366 9.424 -9.469 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.228 9.595 -10.175 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.503 7.270 -6.239 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.299 6.402 -7.779 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.682 7.498 -7.552 1.00 0.00 H new ATOM 885 N LEU A 59 -0.006 5.713 -12.711 1.00 0.00 N ATOM 886 CA LEU A 59 0.099 4.396 -13.332 1.00 0.00 C ATOM 887 C LEU A 59 0.644 4.497 -14.755 1.00 0.00 C ATOM 888 O LEU A 59 1.199 3.533 -15.283 1.00 0.00 O ATOM 889 CB LEU A 59 -1.267 3.693 -13.304 1.00 0.00 C ATOM 890 CG LEU A 59 -1.528 2.686 -14.429 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.229 1.449 -13.889 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.354 3.334 -15.530 1.00 0.00 C ATOM 0 H LEU A 59 -0.952 5.972 -12.430 1.00 0.00 H new ATOM 0 HA LEU A 59 0.807 3.797 -12.760 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.368 3.176 -12.350 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.046 4.455 -13.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.571 2.376 -14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.405 0.746 -14.703 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.603 0.977 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.182 1.736 -13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.534 2.610 -16.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.308 3.668 -15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.813 4.190 -15.935 1.00 0.00 H new ATOM 904 N GLU A 60 0.511 5.664 -15.366 1.00 0.00 N ATOM 905 CA GLU A 60 1.024 5.867 -16.713 1.00 0.00 C ATOM 906 C GLU A 60 2.319 6.682 -16.680 1.00 0.00 C ATOM 907 O GLU A 60 2.931 6.931 -17.719 1.00 0.00 O ATOM 908 CB GLU A 60 -0.027 6.554 -17.585 1.00 0.00 C ATOM 909 CG GLU A 60 -1.183 5.644 -17.962 1.00 0.00 C ATOM 910 CD GLU A 60 -1.811 6.019 -19.290 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.673 6.922 -19.304 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.441 5.408 -20.314 1.00 0.00 O ATOM 0 H GLU A 60 0.056 6.479 -14.955 1.00 0.00 H new ATOM 0 HA GLU A 60 1.248 4.893 -17.148 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.416 7.424 -17.056 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.449 6.921 -18.494 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.829 4.614 -18.010 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.942 5.685 -17.181 1.00 0.00 H new ATOM 919 N SER A 61 2.734 7.089 -15.479 1.00 0.00 N ATOM 920 CA SER A 61 3.956 7.867 -15.309 1.00 0.00 C ATOM 921 C SER A 61 4.684 7.479 -14.018 1.00 0.00 C ATOM 922 O SER A 61 4.434 8.057 -12.959 1.00 0.00 O ATOM 923 CB SER A 61 3.629 9.362 -15.297 1.00 0.00 C ATOM 924 OG SER A 61 2.523 9.648 -16.135 1.00 0.00 O ATOM 0 H SER A 61 2.238 6.891 -14.610 1.00 0.00 H new ATOM 0 HA SER A 61 4.616 7.649 -16.149 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.410 9.681 -14.278 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.498 9.930 -15.629 1.00 0.00 H new ATOM 0 HG SER A 61 1.693 9.396 -15.679 1.00 0.00 H new ATOM 930 N PRO A 62 5.598 6.492 -14.084 1.00 0.00 N ATOM 931 CA PRO A 62 6.359 6.036 -12.910 1.00 0.00 C ATOM 932 C PRO A 62 7.028 7.188 -12.159 1.00 0.00 C ATOM 933 O PRO A 62 7.318 7.079 -10.967 1.00 0.00 O ATOM 934 CB PRO A 62 7.421 5.114 -13.513 1.00 0.00 C ATOM 935 CG PRO A 62 6.819 4.618 -14.781 1.00 0.00 C ATOM 936 CD PRO A 62 5.963 5.741 -15.303 1.00 0.00 C ATOM 0 HA PRO A 62 5.715 5.553 -12.175 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.351 5.651 -13.700 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.659 4.291 -12.839 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.592 4.350 -15.501 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.223 3.723 -14.605 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.508 6.365 -16.011 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.081 5.366 -15.822 1.00 0.00 H new ATOM 944 N GLU A 63 7.277 8.284 -12.867 1.00 0.00 N ATOM 945 CA GLU A 63 7.924 9.457 -12.282 1.00 0.00 C ATOM 946 C GLU A 63 7.106 10.031 -11.130 1.00 0.00 C ATOM 947 O GLU A 63 7.561 10.055 -9.986 1.00 0.00 O ATOM 948 CB GLU A 63 8.138 10.527 -13.351 1.00 0.00 C ATOM 949 CG GLU A 63 8.525 9.951 -14.698 1.00 0.00 C ATOM 950 CD GLU A 63 9.422 10.873 -15.500 1.00 0.00 C ATOM 951 OE1 GLU A 63 9.388 12.097 -15.252 1.00 0.00 O ATOM 952 OE2 GLU A 63 10.159 10.373 -16.376 1.00 0.00 O ATOM 0 H GLU A 63 7.039 8.386 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 63 8.889 9.141 -11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.224 11.110 -13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.917 11.214 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.034 8.999 -14.547 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.622 9.743 -15.271 1.00 0.00 H new ATOM 959 N SER A 64 5.897 10.485 -11.434 1.00 0.00 N ATOM 960 CA SER A 64 5.020 11.051 -10.418 1.00 0.00 C ATOM 961 C SER A 64 4.566 9.953 -9.473 1.00 0.00 C ATOM 962 O SER A 64 4.383 10.171 -8.277 1.00 0.00 O ATOM 963 CB SER A 64 3.806 11.717 -11.071 1.00 0.00 C ATOM 964 OG SER A 64 4.191 12.858 -11.815 1.00 0.00 O ATOM 0 H SER A 64 5.502 10.472 -12.374 1.00 0.00 H new ATOM 0 HA SER A 64 5.568 11.808 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.304 11.004 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.088 12.005 -10.303 1.00 0.00 H new ATOM 0 HG SER A 64 3.399 13.265 -12.224 1.00 0.00 H new ATOM 970 N LEU A 65 4.381 8.769 -10.038 1.00 0.00 N ATOM 971 CA LEU A 65 3.943 7.616 -9.279 1.00 0.00 C ATOM 972 C LEU A 65 4.903 7.340 -8.124 1.00 0.00 C ATOM 973 O LEU A 65 4.498 7.347 -6.962 1.00 0.00 O ATOM 974 CB LEU A 65 3.854 6.397 -10.206 1.00 0.00 C ATOM 975 CG LEU A 65 3.734 5.028 -9.527 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.110 4.484 -9.175 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.847 5.099 -8.289 1.00 0.00 C ATOM 0 H LEU A 65 4.530 8.585 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 65 2.958 7.818 -8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.993 6.529 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.740 6.386 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 65 3.262 4.344 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.005 3.512 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.702 4.377 -10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.611 5.173 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.782 4.112 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.274 5.803 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.849 5.432 -8.575 1.00 0.00 H new ATOM 989 N ARG A 66 6.171 7.100 -8.434 1.00 0.00 N ATOM 990 CA ARG A 66 7.153 6.822 -7.388 1.00 0.00 C ATOM 991 C ARG A 66 7.186 7.941 -6.352 1.00 0.00 C ATOM 992 O ARG A 66 7.531 7.718 -5.192 1.00 0.00 O ATOM 993 CB ARG A 66 8.544 6.630 -7.991 1.00 0.00 C ATOM 994 CG ARG A 66 9.268 5.395 -7.479 1.00 0.00 C ATOM 995 CD ARG A 66 10.776 5.592 -7.491 1.00 0.00 C ATOM 996 NE ARG A 66 11.465 4.488 -8.154 1.00 0.00 N ATOM 997 CZ ARG A 66 11.325 4.195 -9.444 1.00 0.00 C ATOM 998 NH1 ARG A 66 10.544 4.935 -10.218 1.00 0.00 N ATOM 999 NH2 ARG A 66 11.977 3.165 -9.964 1.00 0.00 N ATOM 0 H ARG A 66 6.542 7.091 -9.384 1.00 0.00 H new ATOM 0 HA ARG A 66 6.853 5.900 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.454 6.564 -9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.149 7.511 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.937 5.171 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.007 4.536 -8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.016 6.526 -7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.138 5.683 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 66 12.090 3.908 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.046 5.734 -9.825 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.441 4.705 -11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.586 2.597 -9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.870 2.940 -10.953 1.00 0.00 H new ATOM 1013 N SER A 67 6.821 9.141 -6.781 1.00 0.00 N ATOM 1014 CA SER A 67 6.804 10.295 -5.893 1.00 0.00 C ATOM 1015 C SER A 67 5.873 10.062 -4.706 1.00 0.00 C ATOM 1016 O SER A 67 6.239 10.312 -3.559 1.00 0.00 O ATOM 1017 CB SER A 67 6.365 11.543 -6.666 1.00 0.00 C ATOM 1018 OG SER A 67 7.285 12.614 -6.497 1.00 0.00 O ATOM 0 H SER A 67 6.533 9.341 -7.739 1.00 0.00 H new ATOM 0 HA SER A 67 7.813 10.444 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.276 11.303 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.377 11.854 -6.326 1.00 0.00 H new ATOM 0 HG SER A 67 6.976 13.394 -7.004 1.00 0.00 H new ATOM 1024 N LYS A 68 4.662 9.595 -4.995 1.00 0.00 N ATOM 1025 CA LYS A 68 3.670 9.341 -3.953 1.00 0.00 C ATOM 1026 C LYS A 68 3.985 8.062 -3.179 1.00 0.00 C ATOM 1027 O LYS A 68 4.001 8.061 -1.949 1.00 0.00 O ATOM 1028 CB LYS A 68 2.264 9.260 -4.560 1.00 0.00 C ATOM 1029 CG LYS A 68 2.056 10.179 -5.756 1.00 0.00 C ATOM 1030 CD LYS A 68 0.821 11.055 -5.588 1.00 0.00 C ATOM 1031 CE LYS A 68 1.181 12.533 -5.574 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.026 13.398 -5.453 1.00 0.00 N ATOM 0 H LYS A 68 4.343 9.385 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 68 3.707 10.175 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.069 8.232 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.532 9.508 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.935 10.811 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.957 9.580 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.121 10.858 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.313 10.795 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.857 12.734 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.718 12.785 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.219 14.374 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.771 13.045 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.370 13.379 -4.472 1.00 0.00 H new ATOM 1046 N VAL A 69 4.242 6.974 -3.903 1.00 0.00 N ATOM 1047 CA VAL A 69 4.561 5.694 -3.273 1.00 0.00 C ATOM 1048 C VAL A 69 5.760 5.834 -2.342 1.00 0.00 C ATOM 1049 O VAL A 69 5.679 5.527 -1.155 1.00 0.00 O ATOM 1050 CB VAL A 69 4.877 4.606 -4.317 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.998 3.245 -3.650 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.818 4.579 -5.409 1.00 0.00 C ATOM 0 H VAL A 69 4.236 6.953 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 69 3.679 5.396 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 69 5.834 4.847 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.221 2.489 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.801 3.271 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.059 2.998 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.063 3.803 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.844 4.368 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.787 5.547 -5.910 1.00 0.00 H new ATOM 1062 N ASP A 70 6.869 6.314 -2.895 1.00 0.00 N ATOM 1063 CA ASP A 70 8.099 6.514 -2.125 1.00 0.00 C ATOM 1064 C ASP A 70 7.794 7.236 -0.819 1.00 0.00 C ATOM 1065 O ASP A 70 8.103 6.746 0.268 1.00 0.00 O ATOM 1066 CB ASP A 70 9.109 7.326 -2.946 1.00 0.00 C ATOM 1067 CG ASP A 70 10.495 7.332 -2.331 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.633 7.793 -1.178 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.445 6.879 -3.005 1.00 0.00 O ATOM 0 H ASP A 70 6.945 6.574 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 70 8.528 5.539 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.165 6.915 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.753 8.352 -3.040 1.00 0.00 H new ATOM 1074 N GLU A 71 7.169 8.399 -0.945 1.00 0.00 N ATOM 1075 CA GLU A 71 6.785 9.211 0.204 1.00 0.00 C ATOM 1076 C GLU A 71 6.025 8.388 1.224 1.00 0.00 C ATOM 1077 O GLU A 71 6.460 8.238 2.366 1.00 0.00 O ATOM 1078 CB GLU A 71 5.933 10.383 -0.274 1.00 0.00 C ATOM 1079 CG GLU A 71 6.754 11.517 -0.867 1.00 0.00 C ATOM 1080 CD GLU A 71 7.634 12.196 0.162 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.708 11.646 0.482 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.247 13.279 0.648 1.00 0.00 O ATOM 0 H GLU A 71 6.914 8.806 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 71 7.687 9.586 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.224 10.027 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.349 10.765 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.377 11.128 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.084 12.254 -1.310 1.00 0.00 H new ATOM 1089 N ALA A 72 4.898 7.846 0.805 1.00 0.00 N ATOM 1090 CA ALA A 72 4.085 7.028 1.682 1.00 0.00 C ATOM 1091 C ALA A 72 4.930 5.976 2.387 1.00 0.00 C ATOM 1092 O ALA A 72 4.841 5.807 3.598 1.00 0.00 O ATOM 1093 CB ALA A 72 2.976 6.388 0.894 1.00 0.00 C ATOM 0 H ALA A 72 4.525 7.958 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 72 3.648 7.665 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.367 5.774 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.355 7.163 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.401 5.763 0.109 1.00 0.00 H new ATOM 1099 N VAL A 73 5.765 5.278 1.627 1.00 0.00 N ATOM 1100 CA VAL A 73 6.628 4.254 2.205 1.00 0.00 C ATOM 1101 C VAL A 73 7.412 4.821 3.386 1.00 0.00 C ATOM 1102 O VAL A 73 7.585 4.154 4.401 1.00 0.00 O ATOM 1103 CB VAL A 73 7.605 3.680 1.158 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.590 2.706 1.794 1.00 0.00 C ATOM 1105 CG2 VAL A 73 6.832 2.997 0.042 1.00 0.00 C ATOM 0 H VAL A 73 5.863 5.400 0.619 1.00 0.00 H new ATOM 0 HA VAL A 73 5.987 3.444 2.553 1.00 0.00 H new ATOM 0 HB VAL A 73 8.178 4.508 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.264 2.320 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.168 3.222 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.043 1.879 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.531 2.595 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.235 2.185 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.175 3.720 -0.441 1.00 0.00 H new ATOM 1115 N ALA A 74 7.871 6.057 3.256 1.00 0.00 N ATOM 1116 CA ALA A 74 8.618 6.702 4.320 1.00 0.00 C ATOM 1117 C ALA A 74 7.697 7.099 5.471 1.00 0.00 C ATOM 1118 O ALA A 74 7.933 6.738 6.625 1.00 0.00 O ATOM 1119 CB ALA A 74 9.352 7.924 3.785 1.00 0.00 C ATOM 0 H ALA A 74 7.738 6.631 2.424 1.00 0.00 H new ATOM 0 HA ALA A 74 9.350 5.990 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.908 8.398 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.044 7.618 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.631 8.632 3.377 1.00 0.00 H new ATOM 1125 N VAL A 75 6.655 7.857 5.147 1.00 0.00 N ATOM 1126 CA VAL A 75 5.699 8.324 6.150 1.00 0.00 C ATOM 1127 C VAL A 75 4.862 7.192 6.734 1.00 0.00 C ATOM 1128 O VAL A 75 4.885 6.948 7.939 1.00 0.00 O ATOM 1129 CB VAL A 75 4.759 9.398 5.566 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.071 8.932 4.295 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.744 9.865 6.604 1.00 0.00 C ATOM 0 H VAL A 75 6.449 8.163 4.196 1.00 0.00 H new ATOM 0 HA VAL A 75 6.295 8.756 6.954 1.00 0.00 H new ATOM 0 HB VAL A 75 5.382 10.250 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.420 9.723 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.822 8.695 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.477 8.043 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.095 10.622 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.142 9.017 6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.268 10.290 7.460 1.00 0.00 H new ATOM 1141 N LEU A 76 4.104 6.527 5.878 1.00 0.00 N ATOM 1142 CA LEU A 76 3.224 5.433 6.314 1.00 0.00 C ATOM 1143 C LEU A 76 3.994 4.428 7.166 1.00 0.00 C ATOM 1144 O LEU A 76 3.635 4.172 8.316 1.00 0.00 O ATOM 1145 CB LEU A 76 2.572 4.732 5.105 1.00 0.00 C ATOM 1146 CG LEU A 76 2.369 3.214 5.236 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.246 2.904 6.211 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.072 2.596 3.880 1.00 0.00 C ATOM 0 H LEU A 76 4.074 6.718 4.877 1.00 0.00 H new ATOM 0 HA LEU A 76 2.430 5.864 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.602 5.194 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.187 4.922 4.225 1.00 0.00 H new ATOM 0 HG LEU A 76 3.292 2.781 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.119 1.824 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.492 3.312 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.319 3.353 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.931 1.521 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.165 3.039 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.906 2.784 3.204 1.00 0.00 H new ATOM 1160 N GLN A 77 5.052 3.863 6.596 1.00 0.00 N ATOM 1161 CA GLN A 77 5.857 2.888 7.322 1.00 0.00 C ATOM 1162 C GLN A 77 6.257 3.455 8.687 1.00 0.00 C ATOM 1163 O GLN A 77 6.444 2.713 9.651 1.00 0.00 O ATOM 1164 CB GLN A 77 7.099 2.498 6.522 1.00 0.00 C ATOM 1165 CG GLN A 77 7.255 0.999 6.344 1.00 0.00 C ATOM 1166 CD GLN A 77 8.199 0.382 7.358 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.107 -0.369 7.002 1.00 0.00 O ATOM 1168 NE2 GLN A 77 7.987 0.692 8.630 1.00 0.00 N ATOM 0 H GLN A 77 5.369 4.059 5.647 1.00 0.00 H new ATOM 0 HA GLN A 77 5.259 1.989 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.053 2.970 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.983 2.891 7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.278 0.524 6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.624 0.793 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.223 1.319 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.588 0.304 9.357 1.00 0.00 H new ATOM 1177 N ALA A 78 6.367 4.782 8.758 1.00 0.00 N ATOM 1178 CA ALA A 78 6.723 5.461 10.002 1.00 0.00 C ATOM 1179 C ALA A 78 5.504 5.621 10.909 1.00 0.00 C ATOM 1180 O ALA A 78 5.560 5.311 12.100 1.00 0.00 O ATOM 1181 CB ALA A 78 7.343 6.817 9.708 1.00 0.00 C ATOM 0 H ALA A 78 6.214 5.408 7.967 1.00 0.00 H new ATOM 0 HA ALA A 78 7.456 4.845 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.602 7.309 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.243 6.683 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.629 7.432 9.160 1.00 0.00 H new ATOM 1187 N HIS A 79 4.401 6.103 10.338 1.00 0.00 N ATOM 1188 CA HIS A 79 3.165 6.301 11.094 1.00 0.00 C ATOM 1189 C HIS A 79 2.426 4.976 11.303 1.00 0.00 C ATOM 1190 O HIS A 79 1.294 4.961 11.789 1.00 0.00 O ATOM 1191 CB HIS A 79 2.251 7.304 10.375 1.00 0.00 C ATOM 1192 CG HIS A 79 2.509 8.731 10.754 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.920 9.341 11.843 1.00 0.00 N ATOM 1194 CD2 HIS A 79 3.290 9.674 10.177 1.00 0.00 C ATOM 1195 CE1 HIS A 79 2.326 10.595 11.919 1.00 0.00 C ATOM 1196 NE2 HIS A 79 3.159 10.823 10.920 1.00 0.00 N ATOM 0 H HIS A 79 4.338 6.364 9.354 1.00 0.00 H new ATOM 0 HA HIS A 79 3.433 6.701 12.072 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.381 7.194 9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.212 7.060 10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.902 9.547 9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.028 11.312 12.670 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.629 11.708 10.730 1.00 0.00 H new ATOM 1204 N GLN A 80 3.071 3.868 10.940 1.00 0.00 N ATOM 1205 CA GLN A 80 2.476 2.546 11.093 1.00 0.00 C ATOM 1206 C GLN A 80 2.386 2.161 12.563 1.00 0.00 C ATOM 1207 O GLN A 80 1.308 1.847 13.069 1.00 0.00 O ATOM 1208 CB GLN A 80 3.301 1.508 10.337 1.00 0.00 C ATOM 1209 CG GLN A 80 2.507 0.274 9.945 1.00 0.00 C ATOM 1210 CD GLN A 80 2.723 -0.884 10.897 1.00 0.00 C ATOM 1211 OE1 GLN A 80 2.771 -0.703 12.114 1.00 0.00 O ATOM 1212 NE2 GLN A 80 2.854 -2.085 10.348 1.00 0.00 N ATOM 0 H GLN A 80 4.008 3.863 10.537 1.00 0.00 H new ATOM 0 HA GLN A 80 1.468 2.576 10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.712 1.967 9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.146 1.206 10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.446 0.523 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.790 -0.031 8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.808 -2.190 9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.001 -2.903 10.940 1.00 0.00 H new ATOM 1221 N ALA A 81 3.526 2.190 13.248 1.00 0.00 N ATOM 1222 CA ALA A 81 3.574 1.848 14.661 1.00 0.00 C ATOM 1223 C ALA A 81 3.154 3.032 15.525 1.00 0.00 C ATOM 1224 O ALA A 81 3.777 3.321 16.547 1.00 0.00 O ATOM 1225 CB ALA A 81 4.969 1.376 15.047 1.00 0.00 C ATOM 0 H ALA A 81 4.427 2.447 12.845 1.00 0.00 H new ATOM 0 HA ALA A 81 2.870 1.035 14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.987 1.124 16.107 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.230 0.495 14.460 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.689 2.170 14.850 1.00 0.00 H new ATOM 1231 N LYS A 82 2.090 3.715 15.111 1.00 0.00 N ATOM 1232 CA LYS A 82 1.572 4.862 15.848 1.00 0.00 C ATOM 1233 C LYS A 82 0.697 4.404 17.017 1.00 0.00 C ATOM 1234 O LYS A 82 -0.339 5.006 17.301 1.00 0.00 O ATOM 1235 CB LYS A 82 0.776 5.774 14.908 1.00 0.00 C ATOM 1236 CG LYS A 82 1.386 7.159 14.744 1.00 0.00 C ATOM 1237 CD LYS A 82 0.404 8.252 15.137 1.00 0.00 C ATOM 1238 CE LYS A 82 -0.561 8.569 14.006 1.00 0.00 C ATOM 1239 NZ LYS A 82 -1.404 9.759 14.310 1.00 0.00 N ATOM 0 H LYS A 82 1.568 3.491 14.264 1.00 0.00 H new ATOM 0 HA LYS A 82 2.414 5.423 16.254 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.704 5.299 13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.240 5.876 15.288 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.283 7.237 15.358 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.695 7.301 13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.157 7.939 16.018 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.952 9.153 15.412 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.001 8.747 13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.203 7.707 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.048 9.941 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.960 9.580 15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.794 10.588 14.458 1.00 0.00 H new ATOM 1253 N GLU A 83 1.114 3.335 17.686 1.00 0.00 N ATOM 1254 CA GLU A 83 0.366 2.796 18.814 1.00 0.00 C ATOM 1255 C GLU A 83 0.812 3.446 20.119 1.00 0.00 C ATOM 1256 O GLU A 83 1.640 2.896 20.845 1.00 0.00 O ATOM 1257 CB GLU A 83 0.551 1.280 18.889 1.00 0.00 C ATOM 1258 CG GLU A 83 -0.637 0.496 18.358 1.00 0.00 C ATOM 1259 CD GLU A 83 -1.017 0.898 16.946 1.00 0.00 C ATOM 1260 OE1 GLU A 83 -1.599 1.992 16.776 1.00 0.00 O ATOM 1261 OE2 GLU A 83 -0.732 0.123 16.010 1.00 0.00 O ATOM 0 H GLU A 83 1.969 2.824 17.465 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.691 3.018 18.665 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.441 1.002 18.324 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.730 0.995 19.926 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.403 -0.568 18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.492 0.647 19.017 1.00 0.00 H new ATOM 1268 N ALA A 84 0.261 4.618 20.406 1.00 0.00 N ATOM 1269 CA ALA A 84 0.601 5.343 21.622 1.00 0.00 C ATOM 1270 C ALA A 84 -0.002 4.672 22.850 1.00 0.00 C ATOM 1271 O ALA A 84 -1.218 4.664 23.031 1.00 0.00 O ATOM 1272 CB ALA A 84 0.130 6.786 21.521 1.00 0.00 C ATOM 0 H ALA A 84 -0.424 5.087 19.813 1.00 0.00 H new ATOM 0 HA ALA A 84 1.685 5.331 21.732 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.390 7.318 22.436 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.613 7.268 20.671 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.951 6.807 21.383 1.00 0.00 H new ATOM 1278 N ALA A 85 0.858 4.114 23.695 1.00 0.00 N ATOM 1279 CA ALA A 85 0.411 3.444 24.909 1.00 0.00 C ATOM 1280 C ALA A 85 -0.226 4.434 25.884 1.00 0.00 C ATOM 1281 O ALA A 85 -0.903 4.036 26.831 1.00 0.00 O ATOM 1282 CB ALA A 85 1.575 2.723 25.572 1.00 0.00 C ATOM 0 H ALA A 85 1.869 4.113 23.561 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.347 2.711 24.631 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.227 2.227 26.478 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.982 1.981 24.885 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.351 3.444 25.829 1.00 0.00 H new ATOM 1288 N GLN A 86 -0.002 5.725 25.647 1.00 0.00 N ATOM 1289 CA GLN A 86 -0.551 6.766 26.508 1.00 0.00 C ATOM 1290 C GLN A 86 -2.052 6.926 26.281 1.00 0.00 C ATOM 1291 O GLN A 86 -2.861 6.572 27.139 1.00 0.00 O ATOM 1292 CB GLN A 86 0.157 8.096 26.244 1.00 0.00 C ATOM 1293 CG GLN A 86 1.231 8.428 27.266 1.00 0.00 C ATOM 1294 CD GLN A 86 0.987 9.754 27.959 1.00 0.00 C ATOM 1295 OE1 GLN A 86 0.328 10.640 27.416 1.00 0.00 O ATOM 1296 NE2 GLN A 86 1.519 9.897 29.167 1.00 0.00 N ATOM 0 H GLN A 86 0.555 6.073 24.867 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.387 6.470 27.544 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.608 8.067 25.252 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -0.583 8.896 26.234 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.274 7.635 28.012 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.202 8.454 26.772 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.059 9.136 29.580 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.388 10.768 29.682 1.00 0.00 H new ATOM 1305 N LYS A 87 -2.414 7.465 25.122 1.00 0.00 N ATOM 1306 CA LYS A 87 -3.814 7.677 24.782 1.00 0.00 C ATOM 1307 C LYS A 87 -4.474 6.373 24.346 1.00 0.00 C ATOM 1308 O LYS A 87 -4.903 6.233 23.200 1.00 0.00 O ATOM 1309 CB LYS A 87 -3.933 8.731 23.679 1.00 0.00 C ATOM 1310 CG LYS A 87 -3.680 10.147 24.169 1.00 0.00 C ATOM 1311 CD LYS A 87 -2.872 10.957 23.164 1.00 0.00 C ATOM 1312 CE LYS A 87 -1.559 11.440 23.759 1.00 0.00 C ATOM 1313 NZ LYS A 87 -1.770 12.269 24.980 1.00 0.00 N ATOM 0 H LYS A 87 -1.756 7.763 24.402 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.333 8.036 25.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.224 8.497 22.885 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.930 8.678 23.242 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.633 10.643 24.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.148 10.113 25.120 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.670 10.347 22.283 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.458 11.814 22.831 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.936 10.581 24.007 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.016 12.023 23.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.993 12.954 25.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.673 12.778 24.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.791 11.654 25.818 1.00 0.00 H new ATOM 1327 N ALA A 88 -4.555 5.424 25.271 1.00 0.00 N ATOM 1328 CA ALA A 88 -5.164 4.130 24.990 1.00 0.00 C ATOM 1329 C ALA A 88 -6.667 4.167 25.247 1.00 0.00 C ATOM 1330 O ALA A 88 -7.432 3.431 24.624 1.00 0.00 O ATOM 1331 CB ALA A 88 -4.510 3.047 25.834 1.00 0.00 C ATOM 0 H ALA A 88 -4.206 5.527 26.224 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.006 3.900 23.936 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.974 2.085 25.615 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.446 2.998 25.602 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.641 3.281 26.891 1.00 0.00 H new ATOM 1337 N VAL A 89 -7.083 5.028 26.172 1.00 0.00 N ATOM 1338 CA VAL A 89 -8.495 5.161 26.514 1.00 0.00 C ATOM 1339 C VAL A 89 -9.231 6.025 25.494 1.00 0.00 C ATOM 1340 O VAL A 89 -10.335 5.690 25.065 1.00 0.00 O ATOM 1341 CB VAL A 89 -8.681 5.774 27.915 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -10.126 5.636 28.368 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -7.736 5.125 28.917 1.00 0.00 C ATOM 0 H VAL A 89 -6.462 5.643 26.698 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.915 4.155 26.506 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.439 6.835 27.861 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.240 6.074 29.360 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.779 6.154 27.665 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.397 4.581 28.404 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.884 5.573 29.900 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.941 4.056 28.971 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.705 5.281 28.599 1.00 0.00 H new ATOM 1353 N ASN A 90 -8.615 7.140 25.112 1.00 0.00 N ATOM 1354 CA ASN A 90 -9.220 8.049 24.144 1.00 0.00 C ATOM 1355 C ASN A 90 -8.879 7.634 22.714 1.00 0.00 C ATOM 1356 O ASN A 90 -8.152 8.332 22.008 1.00 0.00 O ATOM 1357 CB ASN A 90 -8.761 9.488 24.407 1.00 0.00 C ATOM 1358 CG ASN A 90 -7.280 9.688 24.148 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -6.434 9.121 24.841 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -6.959 10.500 23.146 1.00 0.00 N ATOM 0 H ASN A 90 -7.701 7.435 25.456 1.00 0.00 H new ATOM 0 HA ASN A 90 -10.303 7.998 24.261 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.331 10.168 23.774 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.984 9.753 25.441 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.979 10.674 22.925 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.693 10.949 22.598 1.00 0.00 H new ATOM 1367 N SER A 91 -9.411 6.492 22.293 1.00 0.00 N ATOM 1368 CA SER A 91 -9.164 5.982 20.949 1.00 0.00 C ATOM 1369 C SER A 91 -10.218 6.493 19.971 1.00 0.00 C ATOM 1370 O SER A 91 -11.132 7.224 20.353 1.00 0.00 O ATOM 1371 CB SER A 91 -9.155 4.452 20.955 1.00 0.00 C ATOM 1372 OG SER A 91 -8.064 3.943 21.706 1.00 0.00 O ATOM 0 H SER A 91 -10.016 5.901 22.863 1.00 0.00 H new ATOM 0 HA SER A 91 -8.188 6.342 20.624 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.091 4.083 21.374 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.097 4.083 19.931 1.00 0.00 H new ATOM 0 HG SER A 91 -8.302 3.924 22.656 1.00 0.00 H new ATOM 1378 N ALA A 92 -10.082 6.104 18.707 1.00 0.00 N ATOM 1379 CA ALA A 92 -11.021 6.521 17.673 1.00 0.00 C ATOM 1380 C ALA A 92 -12.404 5.926 17.914 1.00 0.00 C ATOM 1381 O ALA A 92 -12.803 4.968 17.251 1.00 0.00 O ATOM 1382 CB ALA A 92 -10.502 6.122 16.300 1.00 0.00 C ATOM 0 H ALA A 92 -9.330 5.500 18.375 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.112 7.606 17.714 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.212 6.439 15.536 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.539 6.601 16.122 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.382 5.039 16.257 1.00 0.00 H new ATOM 1388 N THR A 93 -13.132 6.502 18.865 1.00 0.00 N ATOM 1389 CA THR A 93 -14.473 6.030 19.195 1.00 0.00 C ATOM 1390 C THR A 93 -15.534 6.926 18.563 1.00 0.00 C ATOM 1391 O THR A 93 -16.301 7.587 19.265 1.00 0.00 O ATOM 1392 CB THR A 93 -14.662 5.986 20.712 1.00 0.00 C ATOM 1393 OG1 THR A 93 -14.173 7.174 21.312 1.00 0.00 O ATOM 1394 CG2 THR A 93 -13.960 4.818 21.371 1.00 0.00 C ATOM 0 H THR A 93 -12.816 7.297 19.421 1.00 0.00 H new ATOM 0 HA THR A 93 -14.587 5.023 18.794 1.00 0.00 H new ATOM 0 HB THR A 93 -15.736 5.877 20.866 1.00 0.00 H new ATOM 0 HG1 THR A 93 -14.649 7.947 20.943 1.00 0.00 H new ATOM 0 HG21 THR A 93 -14.136 4.848 22.446 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.349 3.884 20.966 1.00 0.00 H new ATOM 0 HG23 THR A 93 -12.889 4.880 21.176 1.00 0.00 H new ATOM 1402 N GLY A 94 -15.569 6.948 17.235 1.00 0.00 N ATOM 1403 CA GLY A 94 -16.538 7.769 16.535 1.00 0.00 C ATOM 1404 C GLY A 94 -17.844 7.043 16.280 1.00 0.00 C ATOM 1405 O GLY A 94 -18.284 6.927 15.136 1.00 0.00 O ATOM 0 H GLY A 94 -14.944 6.413 16.632 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.735 8.669 17.118 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.115 8.092 15.584 1.00 0.00 H new ATOM 1409 N VAL A 95 -18.466 6.547 17.346 1.00 0.00 N ATOM 1410 CA VAL A 95 -19.726 5.827 17.221 1.00 0.00 C ATOM 1411 C VAL A 95 -20.915 6.783 17.088 1.00 0.00 C ATOM 1412 O VAL A 95 -21.675 6.693 16.124 1.00 0.00 O ATOM 1413 CB VAL A 95 -19.962 4.871 18.407 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -21.112 3.922 18.105 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -18.692 4.092 18.730 1.00 0.00 C ATOM 0 H VAL A 95 -18.119 6.631 18.301 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.649 5.235 16.309 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.228 5.466 19.281 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.265 3.254 18.953 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.021 4.497 17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.875 3.334 17.218 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.879 3.423 19.570 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.393 3.507 17.860 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.895 4.788 18.991 1.00 0.00 H new ATOM 1425 N PRO A 96 -21.101 7.715 18.044 1.00 0.00 N ATOM 1426 CA PRO A 96 -22.214 8.672 17.990 1.00 0.00 C ATOM 1427 C PRO A 96 -22.024 9.717 16.895 1.00 0.00 C ATOM 1428 O PRO A 96 -21.442 10.776 17.128 1.00 0.00 O ATOM 1429 CB PRO A 96 -22.181 9.334 19.368 1.00 0.00 C ATOM 1430 CG PRO A 96 -20.763 9.220 19.805 1.00 0.00 C ATOM 1431 CD PRO A 96 -20.258 7.921 19.240 1.00 0.00 C ATOM 0 HA PRO A 96 -23.161 8.183 17.759 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -22.497 10.376 19.315 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -22.852 8.832 20.065 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -20.173 10.060 19.439 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -20.688 9.228 20.892 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -19.201 7.980 18.981 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -20.366 7.104 19.953 1.00 0.00 H new ATOM 1439 N THR A 97 -22.517 9.411 15.699 1.00 0.00 N ATOM 1440 CA THR A 97 -22.400 10.325 14.569 1.00 0.00 C ATOM 1441 C THR A 97 -23.695 11.106 14.361 1.00 0.00 C ATOM 1442 O THR A 97 -24.764 10.681 14.801 1.00 0.00 O ATOM 1443 CB THR A 97 -22.047 9.555 13.296 1.00 0.00 C ATOM 1444 OG1 THR A 97 -21.213 8.450 13.593 1.00 0.00 O ATOM 1445 CG2 THR A 97 -21.337 10.401 12.261 1.00 0.00 C ATOM 0 H THR A 97 -23.001 8.538 15.488 1.00 0.00 H new ATOM 0 HA THR A 97 -21.602 11.033 14.791 1.00 0.00 H new ATOM 0 HB THR A 97 -23.001 9.230 12.882 1.00 0.00 H new ATOM 0 HG1 THR A 97 -21.000 7.969 12.766 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.116 9.793 11.384 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.976 11.235 11.973 1.00 0.00 H new ATOM 0 HG23 THR A 97 -20.407 10.785 12.680 1.00 0.00 H new ATOM 1453 N VAL A 98 -23.590 12.247 13.691 1.00 0.00 N ATOM 1454 CA VAL A 98 -24.752 13.087 13.425 1.00 0.00 C ATOM 1455 C VAL A 98 -25.025 13.190 11.927 1.00 0.00 C ATOM 1456 O VAL A 98 -26.208 13.119 11.536 1.00 0.00 O ATOM 1457 CB VAL A 98 -24.565 14.504 14.002 1.00 0.00 C ATOM 1458 CG1 VAL A 98 -25.820 15.339 13.799 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -24.193 14.436 15.477 1.00 0.00 C ATOM 1460 OXT VAL A 98 -24.052 13.341 11.158 1.00 0.00 O ATOM 0 H VAL A 98 -22.712 12.612 13.322 1.00 0.00 H new ATOM 0 HA VAL A 98 -25.603 12.614 13.914 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.748 14.987 13.466 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.665 16.335 14.214 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -26.035 15.419 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -26.660 14.862 14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.065 15.446 15.867 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.986 13.931 16.029 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.261 13.882 15.592 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 11.178 16.543 13.953 1.00 0.00 N ATOM 1472 CA VAL B 1 10.928 17.474 12.821 1.00 0.00 C ATOM 1473 C VAL B 1 9.638 17.122 12.090 1.00 0.00 C ATOM 1474 O VAL B 1 9.359 15.951 11.837 1.00 0.00 O ATOM 1475 CB VAL B 1 12.091 17.452 11.809 1.00 0.00 C ATOM 1476 CG1 VAL B 1 11.884 18.502 10.727 1.00 0.00 C ATOM 1477 CG2 VAL B 1 13.422 17.655 12.520 1.00 0.00 C ATOM 0 H1 VAL B 1 11.893 16.953 14.588 1.00 0.00 H new ATOM 0 H2 VAL B 1 10.294 16.391 14.479 1.00 0.00 H new ATOM 0 H3 VAL B 1 11.523 15.633 13.585 1.00 0.00 H new ATOM 0 HA VAL B 1 10.841 18.472 13.250 1.00 0.00 H new ATOM 0 HB VAL B 1 12.110 16.474 11.328 1.00 0.00 H new ATOM 0 HG11 VAL B 1 12.716 18.469 10.024 1.00 0.00 H new ATOM 0 HG12 VAL B 1 10.953 18.300 10.197 1.00 0.00 H new ATOM 0 HG13 VAL B 1 11.834 19.490 11.184 1.00 0.00 H new ATOM 0 HG21 VAL B 1 14.231 17.636 11.790 1.00 0.00 H new ATOM 0 HG22 VAL B 1 13.418 18.617 13.033 1.00 0.00 H new ATOM 0 HG23 VAL B 1 13.571 16.857 13.247 1.00 0.00 H new ATOM 1489 N LEU B 2 8.859 18.143 11.746 1.00 0.00 N ATOM 1490 CA LEU B 2 7.603 17.936 11.035 1.00 0.00 C ATOM 1491 C LEU B 2 7.863 17.685 9.552 1.00 0.00 C ATOM 1492 O LEU B 2 7.426 18.454 8.695 1.00 0.00 O ATOM 1493 CB LEU B 2 6.677 19.145 11.208 1.00 0.00 C ATOM 1494 CG LEU B 2 5.183 18.817 11.286 1.00 0.00 C ATOM 1495 CD1 LEU B 2 4.397 20.013 11.801 1.00 0.00 C ATOM 1496 CD2 LEU B 2 4.653 18.385 9.926 1.00 0.00 C ATOM 0 H LEU B 2 9.075 19.119 11.948 1.00 0.00 H new ATOM 0 HA LEU B 2 7.114 17.059 11.459 1.00 0.00 H new ATOM 0 HB2 LEU B 2 6.964 19.675 12.116 1.00 0.00 H new ATOM 0 HB3 LEU B 2 6.839 19.829 10.375 1.00 0.00 H new ATOM 0 HG LEU B 2 5.055 17.990 11.985 1.00 0.00 H new ATOM 0 HD11 LEU B 2 3.338 19.759 11.849 1.00 0.00 H new ATOM 0 HD12 LEU B 2 4.752 20.280 12.797 1.00 0.00 H new ATOM 0 HD13 LEU B 2 4.537 20.858 11.127 1.00 0.00 H new ATOM 0 HD21 LEU B 2 3.590 18.157 10.005 1.00 0.00 H new ATOM 0 HD22 LEU B 2 4.799 19.190 9.206 1.00 0.00 H new ATOM 0 HD23 LEU B 2 5.190 17.498 9.591 1.00 0.00 H new ATOM 1508 N MET B 3 8.576 16.605 9.255 1.00 0.00 N ATOM 1509 CA MET B 3 8.887 16.258 7.875 1.00 0.00 C ATOM 1510 C MET B 3 7.925 15.194 7.357 1.00 0.00 C ATOM 1511 O MET B 3 8.266 14.014 7.289 1.00 0.00 O ATOM 1512 CB MET B 3 10.331 15.765 7.758 1.00 0.00 C ATOM 1513 CG MET B 3 10.701 14.697 8.774 1.00 0.00 C ATOM 1514 SD MET B 3 11.960 13.564 8.160 1.00 0.00 S ATOM 1515 CE MET B 3 12.411 12.703 9.664 1.00 0.00 C ATOM 0 H MET B 3 8.948 15.957 9.949 1.00 0.00 H new ATOM 0 HA MET B 3 8.773 17.154 7.266 1.00 0.00 H new ATOM 0 HB2 MET B 3 10.489 15.369 6.755 1.00 0.00 H new ATOM 0 HB3 MET B 3 11.005 16.614 7.876 1.00 0.00 H new ATOM 0 HG2 MET B 3 11.061 15.176 9.684 1.00 0.00 H new ATOM 0 HG3 MET B 3 9.809 14.132 9.043 1.00 0.00 H new ATOM 0 HE1 MET B 3 13.184 11.966 9.444 1.00 0.00 H new ATOM 0 HE2 MET B 3 12.790 13.419 10.394 1.00 0.00 H new ATOM 0 HE3 MET B 3 11.535 12.199 10.071 1.00 0.00 H new ATOM 1525 N SER B 4 6.720 15.624 6.995 1.00 0.00 N ATOM 1526 CA SER B 4 5.699 14.715 6.485 1.00 0.00 C ATOM 1527 C SER B 4 5.879 14.475 4.990 1.00 0.00 C ATOM 1528 O SER B 4 6.300 15.370 4.256 1.00 0.00 O ATOM 1529 CB SER B 4 4.302 15.281 6.755 1.00 0.00 C ATOM 1530 OG SER B 4 4.361 16.412 7.606 1.00 0.00 O ATOM 0 H SER B 4 6.426 16.599 7.046 1.00 0.00 H new ATOM 0 HA SER B 4 5.807 13.762 7.004 1.00 0.00 H new ATOM 0 HB2 SER B 4 3.830 15.557 5.812 1.00 0.00 H new ATOM 0 HB3 SER B 4 3.678 14.512 7.211 1.00 0.00 H new ATOM 0 HG SER B 4 3.455 16.753 7.760 1.00 0.00 H new ATOM 1536 N LYS B 5 5.558 13.265 4.540 1.00 0.00 N ATOM 1537 CA LYS B 5 5.689 12.921 3.130 1.00 0.00 C ATOM 1538 C LYS B 5 4.429 13.296 2.345 1.00 0.00 C ATOM 1539 O LYS B 5 3.472 13.831 2.904 1.00 0.00 O ATOM 1540 CB LYS B 5 5.994 11.437 2.969 1.00 0.00 C ATOM 1541 CG LYS B 5 7.124 10.960 3.860 1.00 0.00 C ATOM 1542 CD LYS B 5 8.474 11.413 3.332 1.00 0.00 C ATOM 1543 CE LYS B 5 9.361 11.945 4.446 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.386 12.892 3.928 1.00 0.00 N ATOM 0 H LYS B 5 5.207 12.510 5.129 1.00 0.00 H new ATOM 0 HA LYS B 5 6.520 13.496 2.723 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.096 10.862 3.193 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.250 11.236 1.929 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.979 11.343 4.870 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.103 9.872 3.926 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.971 10.578 2.838 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.329 12.188 2.580 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.746 12.447 5.193 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.855 11.112 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.972 13.234 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.989 12.406 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.914 13.699 3.472 1.00 0.00 H new ATOM 1558 N LEU B 6 4.451 13.027 1.042 1.00 0.00 N ATOM 1559 CA LEU B 6 3.325 13.352 0.159 1.00 0.00 C ATOM 1560 C LEU B 6 2.103 12.469 0.420 1.00 0.00 C ATOM 1561 O LEU B 6 0.975 12.962 0.442 1.00 0.00 O ATOM 1562 CB LEU B 6 3.738 13.219 -1.311 1.00 0.00 C ATOM 1563 CG LEU B 6 4.725 14.272 -1.820 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.450 13.764 -3.057 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.005 15.578 -2.125 1.00 0.00 C ATOM 0 H LEU B 6 5.238 12.583 0.569 1.00 0.00 H new ATOM 0 HA LEU B 6 3.048 14.383 0.377 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.179 12.233 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.840 13.261 -1.927 1.00 0.00 H new ATOM 0 HG LEU B 6 5.461 14.460 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.148 14.524 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.997 12.854 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.724 13.549 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.724 16.314 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.247 15.406 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.528 15.951 -1.219 1.00 0.00 H new ATOM 1577 N SER B 7 2.316 11.167 0.604 1.00 0.00 N ATOM 1578 CA SER B 7 1.210 10.248 0.848 1.00 0.00 C ATOM 1579 C SER B 7 1.216 9.721 2.283 1.00 0.00 C ATOM 1580 O SER B 7 1.676 8.611 2.545 1.00 0.00 O ATOM 1581 CB SER B 7 1.281 9.085 -0.137 1.00 0.00 C ATOM 1582 OG SER B 7 0.422 9.298 -1.244 1.00 0.00 O ATOM 0 H SER B 7 3.237 10.729 0.589 1.00 0.00 H new ATOM 0 HA SER B 7 0.279 10.797 0.703 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.306 8.963 -0.487 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.005 8.160 0.368 1.00 0.00 H new ATOM 0 HG SER B 7 -0.511 9.224 -0.953 1.00 0.00 H new ATOM 1588 N VAL B 8 0.693 10.525 3.208 1.00 0.00 N ATOM 1589 CA VAL B 8 0.630 10.141 4.618 1.00 0.00 C ATOM 1590 C VAL B 8 -0.197 8.870 4.813 1.00 0.00 C ATOM 1591 O VAL B 8 -0.645 8.255 3.845 1.00 0.00 O ATOM 1592 CB VAL B 8 0.026 11.269 5.475 1.00 0.00 C ATOM 1593 CG1 VAL B 8 1.015 12.415 5.633 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.279 11.766 4.867 1.00 0.00 C ATOM 0 H VAL B 8 0.306 11.447 3.006 1.00 0.00 H new ATOM 0 HA VAL B 8 1.654 9.953 4.940 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.189 10.866 6.465 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.567 13.201 6.242 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.920 12.050 6.119 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.267 12.816 4.651 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.689 12.563 5.488 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.091 12.148 3.864 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.992 10.943 4.814 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.394 8.479 6.073 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.167 7.279 6.398 1.00 0.00 C ATOM 1606 C ASN B 9 -2.676 7.533 6.294 1.00 0.00 C ATOM 1607 O ASN B 9 -3.420 7.282 7.242 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.812 6.809 7.814 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.308 5.406 8.114 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.565 4.434 7.991 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.568 5.294 8.520 1.00 0.00 N ATOM 0 H ASN B 9 -0.029 8.976 6.885 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.911 6.504 5.675 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.270 6.841 7.941 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.239 7.502 8.539 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.952 4.376 8.743 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.151 6.126 8.609 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.125 8.050 5.150 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.541 8.350 4.950 1.00 0.00 C ATOM 1620 C ALA B 10 -5.437 7.158 5.311 1.00 0.00 C ATOM 1621 O ALA B 10 -4.947 6.106 5.721 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.780 8.791 3.514 1.00 0.00 C ATOM 0 H ALA B 10 -2.530 8.269 4.351 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.809 9.165 5.623 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.838 9.013 3.373 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.191 9.684 3.305 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.483 7.993 2.834 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.770 7.320 5.174 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.747 6.266 5.491 1.00 0.00 C ATOM 1630 C PRO B 11 -7.409 4.925 4.844 1.00 0.00 C ATOM 1631 O PRO B 11 -6.291 4.716 4.385 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.057 6.826 4.933 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.881 8.304 4.994 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.429 8.555 4.708 1.00 0.00 C ATOM 0 HA PRO B 11 -7.778 6.049 6.559 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.231 6.488 3.911 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.912 6.502 5.526 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.516 8.804 4.262 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.159 8.691 5.974 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.253 8.728 3.646 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.061 9.432 5.240 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.388 4.023 4.779 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.195 2.717 4.153 1.00 0.00 C ATOM 1644 C GLU B 12 -8.377 2.793 2.637 1.00 0.00 C ATOM 1645 O GLU B 12 -8.636 3.861 2.081 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.173 1.700 4.745 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.493 0.559 5.482 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.948 0.980 6.832 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -8.602 1.803 7.506 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.867 0.485 7.218 1.00 0.00 O ATOM 0 H GLU B 12 -9.325 4.174 5.153 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.173 2.397 4.355 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.847 2.213 5.431 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.786 1.289 3.943 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.205 -0.255 5.619 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.679 0.171 4.871 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.260 1.640 1.981 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.437 1.571 0.533 1.00 0.00 C ATOM 1659 C PHE B 13 -9.804 0.986 0.197 1.00 0.00 C ATOM 1660 O PHE B 13 -10.082 -0.185 0.456 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.320 0.777 -0.149 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.323 -0.699 0.115 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.948 -1.212 1.349 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.674 -1.579 -0.891 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.932 -2.578 1.566 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.656 -2.938 -0.678 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.287 -3.437 0.544 1.00 0.00 C ATOM 0 H PHE B 13 -8.045 0.747 2.426 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.382 2.588 0.146 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.390 0.936 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.361 1.184 0.172 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.667 -0.539 2.146 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.966 -1.195 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.643 -2.971 2.530 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.933 -3.613 -1.475 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.274 -4.504 0.708 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.639 1.832 -0.409 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.988 1.460 -0.824 1.00 0.00 C ATOM 1679 C TYR B 14 -12.124 1.556 -2.347 1.00 0.00 C ATOM 1680 O TYR B 14 -11.230 2.069 -3.019 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.007 2.380 -0.134 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.119 2.172 1.369 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.421 1.156 2.013 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -13.920 3.002 2.146 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.515 0.974 3.379 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -14.020 2.825 3.513 1.00 0.00 C ATOM 1687 CZ TYR B 14 -13.315 1.810 4.125 1.00 0.00 C ATOM 1688 OH TYR B 14 -13.408 1.633 5.486 1.00 0.00 O ATOM 0 H TYR B 14 -10.395 2.798 -0.626 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.182 0.428 -0.530 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.732 3.417 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.986 2.221 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.793 0.496 1.433 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -14.474 3.799 1.673 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -11.963 0.180 3.860 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -14.648 3.479 4.100 1.00 0.00 H new ATOM 0 HH TYR B 14 -14.012 2.306 5.863 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.243 1.073 -2.917 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.477 1.126 -4.371 1.00 0.00 C ATOM 1700 C PRO B 15 -13.535 2.554 -4.918 1.00 0.00 C ATOM 1701 O PRO B 15 -14.579 3.211 -4.865 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.840 0.462 -4.537 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.486 0.584 -3.202 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.370 0.438 -2.213 1.00 0.00 C ATOM 0 HA PRO B 15 -12.667 0.642 -4.916 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.430 0.957 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.738 -0.582 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.986 1.546 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.243 -0.187 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.594 0.937 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.167 -0.607 -1.980 1.00 0.00 H new ATOM 1712 N SER B 16 -12.418 3.028 -5.459 1.00 0.00 N ATOM 1713 CA SER B 16 -12.353 4.375 -6.025 1.00 0.00 C ATOM 1714 C SER B 16 -13.467 4.591 -7.038 1.00 0.00 C ATOM 1715 O SER B 16 -14.393 5.367 -6.807 1.00 0.00 O ATOM 1716 CB SER B 16 -11.003 4.607 -6.691 1.00 0.00 C ATOM 1717 OG SER B 16 -10.561 5.940 -6.491 1.00 0.00 O ATOM 0 H SER B 16 -11.546 2.503 -5.519 1.00 0.00 H new ATOM 0 HA SER B 16 -12.478 5.088 -5.210 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.269 3.912 -6.285 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.080 4.402 -7.759 1.00 0.00 H new ATOM 0 HG SER B 16 -11.311 6.490 -6.181 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.369 3.892 -8.158 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.374 4.008 -9.192 1.00 0.00 C ATOM 1725 C GLY B 17 -15.576 3.129 -8.913 1.00 0.00 C ATOM 1726 O GLY B 17 -15.964 2.313 -9.751 1.00 0.00 O ATOM 0 H GLY B 17 -12.609 3.245 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.695 5.047 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.939 3.734 -10.153 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.172 3.302 -7.736 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.343 2.529 -7.348 1.00 0.00 C ATOM 1732 C TYR B 18 -18.533 2.877 -8.237 1.00 0.00 C ATOM 1733 O TYR B 18 -18.759 4.045 -8.553 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.683 2.813 -5.885 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.382 1.672 -5.180 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.802 0.414 -5.110 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.619 1.861 -4.576 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.437 -0.627 -4.455 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.260 0.827 -3.922 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.666 -0.415 -3.863 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.298 -1.447 -3.206 1.00 0.00 O ATOM 0 H TYR B 18 -15.860 3.973 -7.034 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.121 1.469 -7.469 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.764 3.048 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.316 3.699 -5.836 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.841 0.244 -5.573 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.087 2.833 -4.619 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.973 -1.601 -4.407 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.222 0.991 -3.459 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.152 -1.131 -2.845 1.00 0.00 H new ATOM 1751 N SER B 19 -19.292 1.863 -8.636 1.00 0.00 N ATOM 1752 CA SER B 19 -20.458 2.078 -9.485 1.00 0.00 C ATOM 1753 C SER B 19 -21.675 2.451 -8.644 1.00 0.00 C ATOM 1754 O SER B 19 -22.569 1.634 -8.428 1.00 0.00 O ATOM 1755 CB SER B 19 -20.757 0.827 -10.317 1.00 0.00 C ATOM 1756 OG SER B 19 -21.529 1.152 -11.461 1.00 0.00 O ATOM 0 H SER B 19 -19.122 0.889 -8.387 1.00 0.00 H new ATOM 0 HA SER B 19 -20.236 2.903 -10.162 1.00 0.00 H new ATOM 0 HB2 SER B 19 -19.822 0.359 -10.625 1.00 0.00 H new ATOM 0 HB3 SER B 19 -21.292 0.099 -9.707 1.00 0.00 H new ATOM 0 HG SER B 19 -21.706 0.338 -11.978 1.00 0.00 H new ATOM 1762 N SER B 20 -21.695 3.690 -8.166 1.00 0.00 N ATOM 1763 CA SER B 20 -22.797 4.174 -7.343 1.00 0.00 C ATOM 1764 C SER B 20 -23.802 4.963 -8.178 1.00 0.00 C ATOM 1765 O SER B 20 -23.519 6.079 -8.615 1.00 0.00 O ATOM 1766 CB SER B 20 -22.262 5.049 -6.206 1.00 0.00 C ATOM 1767 OG SER B 20 -22.054 4.288 -5.024 1.00 0.00 O ATOM 0 H SER B 20 -20.961 4.378 -8.334 1.00 0.00 H new ATOM 0 HA SER B 20 -23.308 3.309 -6.921 1.00 0.00 H new ATOM 0 HB2 SER B 20 -21.325 5.514 -6.512 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.966 5.856 -6.003 1.00 0.00 H new ATOM 0 HG SER B 20 -21.711 4.872 -4.315 1.00 0.00 H new ATOM 1773 N SER B 21 -24.975 4.375 -8.394 1.00 0.00 N ATOM 1774 CA SER B 21 -26.020 5.024 -9.176 1.00 0.00 C ATOM 1775 C SER B 21 -27.260 5.258 -8.321 1.00 0.00 C ATOM 1776 O SER B 21 -27.622 6.398 -8.029 1.00 0.00 O ATOM 1777 CB SER B 21 -26.387 4.180 -10.406 1.00 0.00 C ATOM 1778 OG SER B 21 -25.358 3.260 -10.755 1.00 0.00 O ATOM 0 H SER B 21 -25.225 3.452 -8.039 1.00 0.00 H new ATOM 0 HA SER B 21 -25.636 5.986 -9.515 1.00 0.00 H new ATOM 0 HB2 SER B 21 -27.309 3.633 -10.207 1.00 0.00 H new ATOM 0 HB3 SER B 21 -26.584 4.840 -11.251 1.00 0.00 H new ATOM 0 HG SER B 21 -25.634 2.743 -11.541 1.00 0.00 H new ATOM 1784 N TYR B 22 -27.910 4.169 -7.921 1.00 0.00 N ATOM 1785 CA TYR B 22 -29.110 4.252 -7.098 1.00 0.00 C ATOM 1786 C TYR B 22 -28.755 4.241 -5.614 1.00 0.00 C ATOM 1787 O TYR B 22 -29.518 3.645 -4.826 1.00 0.00 O ATOM 1788 CB TYR B 22 -30.052 3.091 -7.422 1.00 0.00 C ATOM 1789 CG TYR B 22 -30.602 3.133 -8.831 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -31.649 3.984 -9.164 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -30.072 2.323 -9.829 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -32.153 4.025 -10.450 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -30.570 2.359 -11.117 1.00 0.00 C ATOM 1794 CZ TYR B 22 -31.610 3.212 -11.423 1.00 0.00 C ATOM 1795 OH TYR B 22 -32.108 3.254 -12.705 1.00 0.00 O ATOM 1796 OXT TYR B 22 -27.714 4.831 -5.253 1.00 0.00 O ATOM 0 H TYR B 22 -27.625 3.218 -8.154 1.00 0.00 H new ATOM 0 HA TYR B 22 -29.613 5.193 -7.322 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -29.520 2.151 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -30.883 3.100 -6.716 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -32.076 4.624 -8.405 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -29.257 1.654 -9.593 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -32.968 4.691 -10.692 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -30.147 1.723 -11.880 1.00 0.00 H new ATOM 0 HH TYR B 22 -31.615 2.621 -13.268 1.00 0.00 H new TER 1806 TYR B 22