USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 18 TYR OH : rot 180:sc= 0.827 USER MOD Set 1.2: A 60 THR OG1 : rot -134:sc= 0.303 USER MOD Set 2.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= -0.711 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 SER OG : rot -10:sc= -0.161! USER MOD Set 4.1: A 12 GLN : amide:sc= -5.93! C(o=-5.9!,f=-4.3!) USER MOD Set 4.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -127:sc= 0.494 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.174 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -1.35 (180deg=-3.7!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.199 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2.9) USER MOD Single : A 46 THR OG1 : rot -140:sc= -0.81 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.605 X(o=-0.6,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0773 K(o=-0.077,f=-0.87) USER MOD Single : A 70 GLN : amide:sc= -3.87! C(o=-3.9!,f=-5.8!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.338 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.847 -0.263 -1.248 1.00 41.11 N ATOM 2 CA SER A 1 4.459 -0.328 -2.570 1.00 61.31 C ATOM 3 C SER A 1 4.058 0.878 -3.414 1.00 64.44 C ATOM 4 O SER A 1 3.069 1.558 -3.141 1.00 63.13 O ATOM 5 CB SER A 1 4.052 -1.621 -3.281 1.00 12.45 C ATOM 6 OG SER A 1 2.939 -2.224 -2.643 1.00 64.20 O ATOM 0 H1 SER A 1 4.583 -0.362 -0.520 1.00 41.11 H new ATOM 0 H2 SER A 1 3.367 0.652 -1.132 1.00 41.11 H new ATOM 0 H3 SER A 1 3.155 -1.032 -1.148 1.00 41.11 H new ATOM 0 HA SER A 1 5.542 -0.317 -2.443 1.00 61.31 H new ATOM 0 HB2 SER A 1 3.807 -1.406 -4.321 1.00 12.45 H new ATOM 0 HB3 SER A 1 4.892 -2.316 -3.288 1.00 12.45 H new ATOM 0 HG SER A 1 2.697 -3.047 -3.116 1.00 64.20 H new ATOM 12 N PRO A 2 4.845 1.150 -4.466 1.00 71.13 N ATOM 13 CA PRO A 2 4.593 2.274 -5.373 1.00 71.32 C ATOM 14 C PRO A 2 3.352 2.058 -6.233 1.00 12.15 C ATOM 15 O PRO A 2 3.044 0.933 -6.626 1.00 71.20 O ATOM 16 CB PRO A 2 5.849 2.312 -6.248 1.00 14.23 C ATOM 17 CG PRO A 2 6.376 0.919 -6.215 1.00 52.21 C ATOM 18 CD PRO A 2 6.040 0.381 -4.852 1.00 4.34 C ATOM 0 HA PRO A 2 4.406 3.201 -4.831 1.00 71.32 H new ATOM 0 HB2 PRO A 2 5.613 2.622 -7.266 1.00 14.23 H new ATOM 0 HB3 PRO A 2 6.580 3.021 -5.860 1.00 14.23 H new ATOM 0 HG2 PRO A 2 5.921 0.311 -6.997 1.00 52.21 H new ATOM 0 HG3 PRO A 2 7.452 0.905 -6.386 1.00 52.21 H new ATOM 0 HD2 PRO A 2 5.837 -0.689 -4.882 1.00 4.34 H new ATOM 0 HD3 PRO A 2 6.859 0.531 -4.148 1.00 4.34 H new ATOM 26 N LYS A 3 2.642 3.144 -6.521 1.00 71.52 N ATOM 27 CA LYS A 3 1.435 3.074 -7.336 1.00 15.42 C ATOM 28 C LYS A 3 1.634 3.792 -8.667 1.00 25.01 C ATOM 29 O LYS A 3 1.648 5.022 -8.726 1.00 5.04 O ATOM 30 CB LYS A 3 0.252 3.690 -6.585 1.00 10.52 C ATOM 31 CG LYS A 3 -1.007 3.811 -7.426 1.00 62.22 C ATOM 32 CD LYS A 3 -2.212 3.219 -6.715 1.00 21.13 C ATOM 33 CE LYS A 3 -2.837 4.217 -5.752 1.00 43.21 C ATOM 34 NZ LYS A 3 -4.325 4.181 -5.804 1.00 5.10 N ATOM 0 H LYS A 3 2.882 4.083 -6.202 1.00 71.52 H new ATOM 0 HA LYS A 3 1.224 2.024 -7.538 1.00 15.42 H new ATOM 0 HB2 LYS A 3 0.035 3.083 -5.706 1.00 10.52 H new ATOM 0 HB3 LYS A 3 0.536 4.680 -6.227 1.00 10.52 H new ATOM 0 HG2 LYS A 3 -1.196 4.861 -7.651 1.00 62.22 H new ATOM 0 HG3 LYS A 3 -0.859 3.302 -8.379 1.00 62.22 H new ATOM 0 HD2 LYS A 3 -2.954 2.908 -7.451 1.00 21.13 H new ATOM 0 HD3 LYS A 3 -1.911 2.325 -6.169 1.00 21.13 H new ATOM 0 HE2 LYS A 3 -2.504 4.000 -4.737 1.00 43.21 H new ATOM 0 HE3 LYS A 3 -2.489 5.221 -5.994 1.00 43.21 H new ATOM 0 HZ1 LYS A 3 -4.713 4.875 -5.134 1.00 5.10 H new ATOM 0 HZ2 LYS A 3 -4.644 4.413 -6.766 1.00 5.10 H new ATOM 0 HZ3 LYS A 3 -4.658 3.230 -5.549 1.00 5.10 H new ATOM 48 N THR A 4 1.788 3.016 -9.735 1.00 74.24 N ATOM 49 CA THR A 4 1.986 3.577 -11.066 1.00 2.14 C ATOM 50 C THR A 4 0.918 3.085 -12.035 1.00 53.11 C ATOM 51 O THR A 4 0.187 2.139 -11.740 1.00 62.31 O ATOM 52 CB THR A 4 3.376 3.218 -11.625 1.00 74.02 C ATOM 53 OG1 THR A 4 3.895 2.069 -10.947 1.00 1.04 O ATOM 54 CG2 THR A 4 4.340 4.384 -11.469 1.00 52.34 C ATOM 0 H THR A 4 1.779 1.996 -9.704 1.00 74.24 H new ATOM 0 HA THR A 4 1.911 4.660 -10.967 1.00 2.14 H new ATOM 0 HB THR A 4 3.270 2.995 -12.687 1.00 74.02 H new ATOM 0 HG1 THR A 4 4.778 1.846 -11.309 1.00 1.04 H new ATOM 0 HG21 THR A 4 5.315 4.107 -11.871 1.00 52.34 H new ATOM 0 HG22 THR A 4 3.957 5.248 -12.011 1.00 52.34 H new ATOM 0 HG23 THR A 4 4.441 4.634 -10.413 1.00 52.34 H new ATOM 62 N ILE A 5 0.832 3.732 -13.192 1.00 43.34 N ATOM 63 CA ILE A 5 -0.146 3.358 -14.206 1.00 13.42 C ATOM 64 C ILE A 5 0.538 2.833 -15.463 1.00 52.44 C ATOM 65 O ILE A 5 1.764 2.862 -15.575 1.00 2.35 O ATOM 66 CB ILE A 5 -1.048 4.548 -14.584 1.00 42.41 C ATOM 67 CG1 ILE A 5 -0.215 5.668 -15.212 1.00 61.34 C ATOM 68 CG2 ILE A 5 -1.793 5.059 -13.360 1.00 21.32 C ATOM 69 CD1 ILE A 5 -0.277 5.691 -16.724 1.00 4.34 C ATOM 0 H ILE A 5 1.428 4.518 -13.451 1.00 43.34 H new ATOM 0 HA ILE A 5 -0.762 2.569 -13.774 1.00 13.42 H new ATOM 0 HB ILE A 5 -1.781 4.210 -15.317 1.00 42.41 H new ATOM 0 HG12 ILE A 5 -0.562 6.627 -14.827 1.00 61.34 H new ATOM 0 HG13 ILE A 5 0.824 5.556 -14.900 1.00 61.34 H new ATOM 0 HG21 ILE A 5 -2.426 5.900 -13.644 1.00 21.32 H new ATOM 0 HG22 ILE A 5 -2.412 4.260 -12.951 1.00 21.32 H new ATOM 0 HG23 ILE A 5 -1.075 5.383 -12.606 1.00 21.32 H new ATOM 0 HD11 ILE A 5 0.336 6.510 -17.101 1.00 4.34 H new ATOM 0 HD12 ILE A 5 0.097 4.746 -17.118 1.00 4.34 H new ATOM 0 HD13 ILE A 5 -1.309 5.834 -17.044 1.00 4.34 H new ATOM 81 N LEU A 6 -0.263 2.355 -16.410 1.00 4.23 N ATOM 82 CA LEU A 6 0.265 1.825 -17.662 1.00 61.11 C ATOM 83 C LEU A 6 -0.755 1.968 -18.787 1.00 33.22 C ATOM 84 O LEU A 6 -0.409 2.326 -19.912 1.00 24.24 O ATOM 85 CB LEU A 6 0.653 0.355 -17.493 1.00 74.23 C ATOM 86 CG LEU A 6 2.104 0.001 -17.820 1.00 52.34 C ATOM 87 CD1 LEU A 6 2.488 0.538 -19.190 1.00 42.05 C ATOM 88 CD2 LEU A 6 3.039 0.546 -16.751 1.00 24.53 C ATOM 0 H LEU A 6 -1.280 2.324 -16.334 1.00 4.23 H new ATOM 0 HA LEU A 6 1.152 2.400 -17.926 1.00 61.11 H new ATOM 0 HB2 LEU A 6 0.453 0.064 -16.462 1.00 74.23 H new ATOM 0 HB3 LEU A 6 0.002 -0.247 -18.127 1.00 74.23 H new ATOM 0 HG LEU A 6 2.198 -1.085 -17.838 1.00 52.34 H new ATOM 0 HD11 LEU A 6 3.524 0.277 -19.406 1.00 42.05 H new ATOM 0 HD12 LEU A 6 1.838 0.100 -19.948 1.00 42.05 H new ATOM 0 HD13 LEU A 6 2.378 1.622 -19.200 1.00 42.05 H new ATOM 0 HD21 LEU A 6 4.068 0.285 -17.000 1.00 24.53 H new ATOM 0 HD22 LEU A 6 2.942 1.631 -16.701 1.00 24.53 H new ATOM 0 HD23 LEU A 6 2.778 0.114 -15.785 1.00 24.53 H new ATOM 100 N GLY A 7 -2.017 1.687 -18.474 1.00 22.11 N ATOM 101 CA GLY A 7 -3.069 1.792 -19.468 1.00 43.01 C ATOM 102 C GLY A 7 -3.701 3.169 -19.500 1.00 11.33 C ATOM 103 O GLY A 7 -3.846 3.817 -18.462 1.00 71.34 O ATOM 0 H GLY A 7 -2.329 1.389 -17.550 1.00 22.11 H new ATOM 0 HA2 GLY A 7 -2.660 1.561 -20.451 1.00 43.01 H new ATOM 0 HA3 GLY A 7 -3.837 1.048 -19.259 1.00 43.01 H new ATOM 107 N ILE A 8 -4.077 3.619 -20.692 1.00 63.23 N ATOM 108 CA ILE A 8 -4.696 4.928 -20.854 1.00 52.31 C ATOM 109 C ILE A 8 -5.892 4.858 -21.798 1.00 45.13 C ATOM 110 O ILE A 8 -5.887 4.097 -22.765 1.00 20.42 O ATOM 111 CB ILE A 8 -3.691 5.964 -21.392 1.00 73.23 C ATOM 112 CG1 ILE A 8 -2.511 6.110 -20.429 1.00 53.13 C ATOM 113 CG2 ILE A 8 -4.377 7.305 -21.607 1.00 5.14 C ATOM 114 CD1 ILE A 8 -1.513 7.165 -20.853 1.00 20.33 C ATOM 0 H ILE A 8 -3.964 3.096 -21.560 1.00 63.23 H new ATOM 0 HA ILE A 8 -5.034 5.241 -19.866 1.00 52.31 H new ATOM 0 HB ILE A 8 -3.310 5.615 -22.352 1.00 73.23 H new ATOM 0 HG12 ILE A 8 -2.890 6.357 -19.437 1.00 53.13 H new ATOM 0 HG13 ILE A 8 -2.000 5.151 -20.345 1.00 53.13 H new ATOM 0 HG21 ILE A 8 -3.654 8.027 -21.987 1.00 5.14 H new ATOM 0 HG22 ILE A 8 -5.187 7.188 -22.328 1.00 5.14 H new ATOM 0 HG23 ILE A 8 -4.783 7.662 -20.660 1.00 5.14 H new ATOM 0 HD11 ILE A 8 -0.704 7.214 -20.124 1.00 20.33 H new ATOM 0 HD12 ILE A 8 -1.106 6.909 -21.831 1.00 20.33 H new ATOM 0 HD13 ILE A 8 -2.009 8.134 -20.909 1.00 20.33 H new ATOM 126 N GLU A 9 -6.913 5.659 -21.512 1.00 10.12 N ATOM 127 CA GLU A 9 -8.115 5.688 -22.337 1.00 11.02 C ATOM 128 C GLU A 9 -8.563 7.124 -22.595 1.00 34.41 C ATOM 129 O GLU A 9 -8.753 7.904 -21.662 1.00 34.11 O ATOM 130 CB GLU A 9 -9.242 4.904 -21.662 1.00 74.52 C ATOM 131 CG GLU A 9 -9.632 3.637 -22.406 1.00 20.03 C ATOM 132 CD GLU A 9 -11.013 3.139 -22.027 1.00 13.45 C ATOM 133 OE1 GLU A 9 -11.557 3.617 -21.009 1.00 4.45 O ATOM 134 OE2 GLU A 9 -11.551 2.273 -22.747 1.00 23.42 O ATOM 0 H GLU A 9 -6.932 6.296 -20.716 1.00 10.12 H new ATOM 0 HA GLU A 9 -7.880 5.222 -23.294 1.00 11.02 H new ATOM 0 HB2 GLU A 9 -8.935 4.641 -20.650 1.00 74.52 H new ATOM 0 HB3 GLU A 9 -10.118 5.547 -21.572 1.00 74.52 H new ATOM 0 HG2 GLU A 9 -9.600 3.826 -23.479 1.00 20.03 H new ATOM 0 HG3 GLU A 9 -8.899 2.858 -22.198 1.00 20.03 H new ATOM 141 N VAL A 10 -8.730 7.465 -23.869 1.00 10.43 N ATOM 142 CA VAL A 10 -9.156 8.806 -24.251 1.00 53.21 C ATOM 143 C VAL A 10 -10.616 9.045 -23.882 1.00 71.12 C ATOM 144 O VAL A 10 -11.518 8.414 -24.434 1.00 43.33 O ATOM 145 CB VAL A 10 -8.975 9.043 -25.762 1.00 44.40 C ATOM 146 CG1 VAL A 10 -9.651 7.940 -26.561 1.00 51.11 C ATOM 147 CG2 VAL A 10 -9.518 10.408 -26.156 1.00 14.42 C ATOM 0 H VAL A 10 -8.577 6.831 -24.654 1.00 10.43 H new ATOM 0 HA VAL A 10 -8.526 9.506 -23.702 1.00 53.21 H new ATOM 0 HB VAL A 10 -7.909 9.022 -25.990 1.00 44.40 H new ATOM 0 HG11 VAL A 10 -9.512 8.125 -27.626 1.00 51.11 H new ATOM 0 HG12 VAL A 10 -9.210 6.978 -26.299 1.00 51.11 H new ATOM 0 HG13 VAL A 10 -10.716 7.925 -26.331 1.00 51.11 H new ATOM 0 HG21 VAL A 10 -9.382 10.558 -27.227 1.00 14.42 H new ATOM 0 HG22 VAL A 10 -10.580 10.461 -25.914 1.00 14.42 H new ATOM 0 HG23 VAL A 10 -8.982 11.184 -25.610 1.00 14.42 H new ATOM 157 N SER A 11 -10.842 9.960 -22.945 1.00 51.23 N ATOM 158 CA SER A 11 -12.193 10.281 -22.500 1.00 30.44 C ATOM 159 C SER A 11 -12.440 11.785 -22.551 1.00 44.33 C ATOM 160 O SER A 11 -13.363 12.295 -21.918 1.00 13.03 O ATOM 161 CB SER A 11 -12.420 9.764 -21.078 1.00 23.34 C ATOM 162 OG SER A 11 -13.491 8.837 -21.037 1.00 11.15 O ATOM 0 H SER A 11 -10.107 10.492 -22.479 1.00 51.23 H new ATOM 0 HA SER A 11 -12.896 9.792 -23.174 1.00 30.44 H new ATOM 0 HB2 SER A 11 -11.510 9.290 -20.711 1.00 23.34 H new ATOM 0 HB3 SER A 11 -12.634 10.601 -20.413 1.00 23.34 H new ATOM 0 HG SER A 11 -13.615 8.520 -20.118 1.00 11.15 H new ATOM 168 N GLN A 12 -11.606 12.489 -23.310 1.00 53.45 N ATOM 169 CA GLN A 12 -11.733 13.936 -23.445 1.00 30.24 C ATOM 170 C GLN A 12 -12.666 14.296 -24.596 1.00 40.01 C ATOM 171 O GLN A 12 -12.526 13.781 -25.705 1.00 30.45 O ATOM 172 CB GLN A 12 -10.359 14.571 -23.668 1.00 34.32 C ATOM 173 CG GLN A 12 -9.582 13.950 -24.817 1.00 63.00 C ATOM 174 CD GLN A 12 -8.458 13.050 -24.342 1.00 61.04 C ATOM 175 OE1 GLN A 12 -8.552 12.424 -23.286 1.00 52.21 O ATOM 176 NE2 GLN A 12 -7.386 12.980 -25.122 1.00 64.15 N ATOM 0 H GLN A 12 -10.836 12.082 -23.840 1.00 53.45 H new ATOM 0 HA GLN A 12 -12.160 14.326 -22.521 1.00 30.24 H new ATOM 0 HB2 GLN A 12 -10.487 15.636 -23.861 1.00 34.32 H new ATOM 0 HB3 GLN A 12 -9.773 14.481 -22.753 1.00 34.32 H new ATOM 0 HG2 GLN A 12 -10.264 13.374 -25.442 1.00 63.00 H new ATOM 0 HG3 GLN A 12 -9.169 14.742 -25.441 1.00 63.00 H new ATOM 0 HE21 GLN A 12 -7.350 13.516 -25.989 1.00 64.15 H new ATOM 0 HE22 GLN A 12 -6.598 12.390 -24.854 1.00 64.15 H new ATOM 185 N GLU A 13 -13.618 15.184 -24.325 1.00 24.33 N ATOM 186 CA GLU A 13 -14.574 15.611 -25.339 1.00 12.32 C ATOM 187 C GLU A 13 -14.270 17.031 -25.809 1.00 74.23 C ATOM 188 O GLU A 13 -13.659 17.830 -25.099 1.00 60.44 O ATOM 189 CB GLU A 13 -16.000 15.539 -24.789 1.00 74.44 C ATOM 190 CG GLU A 13 -16.742 14.273 -25.186 1.00 41.13 C ATOM 191 CD GLU A 13 -18.235 14.493 -25.329 1.00 35.51 C ATOM 192 OE1 GLU A 13 -18.835 15.099 -24.416 1.00 72.24 O ATOM 193 OE2 GLU A 13 -18.805 14.058 -26.352 1.00 45.30 O ATOM 0 H GLU A 13 -13.747 15.621 -23.412 1.00 24.33 H new ATOM 0 HA GLU A 13 -14.486 14.937 -26.192 1.00 12.32 H new ATOM 0 HB2 GLU A 13 -15.965 15.604 -23.701 1.00 74.44 H new ATOM 0 HB3 GLU A 13 -16.561 16.405 -25.142 1.00 74.44 H new ATOM 0 HG2 GLU A 13 -16.341 13.902 -26.129 1.00 41.13 H new ATOM 0 HG3 GLU A 13 -16.562 13.501 -24.438 1.00 41.13 H new ATOM 200 N PRO A 14 -14.707 17.353 -27.036 1.00 3.21 N ATOM 201 CA PRO A 14 -14.493 18.676 -27.630 1.00 13.54 C ATOM 202 C PRO A 14 -15.320 19.759 -26.944 1.00 42.33 C ATOM 203 O PRO A 14 -16.523 19.599 -26.737 1.00 2.11 O ATOM 204 CB PRO A 14 -14.950 18.493 -29.079 1.00 65.31 C ATOM 205 CG PRO A 14 -15.923 17.366 -29.030 1.00 21.10 C ATOM 206 CD PRO A 14 -15.442 16.451 -27.938 1.00 33.03 C ATOM 0 HA PRO A 14 -13.458 19.004 -27.534 1.00 13.54 H new ATOM 0 HB2 PRO A 14 -15.414 19.400 -29.465 1.00 65.31 H new ATOM 0 HB3 PRO A 14 -14.109 18.262 -29.733 1.00 65.31 H new ATOM 0 HG2 PRO A 14 -16.929 17.728 -28.821 1.00 21.10 H new ATOM 0 HG3 PRO A 14 -15.965 16.844 -29.986 1.00 21.10 H new ATOM 0 HD2 PRO A 14 -16.272 15.962 -27.428 1.00 33.03 H new ATOM 0 HD3 PRO A 14 -14.799 15.662 -28.329 1.00 33.03 H new ATOM 214 N LYS A 15 -14.667 20.863 -26.595 1.00 33.33 N ATOM 215 CA LYS A 15 -15.341 21.974 -25.934 1.00 55.00 C ATOM 216 C LYS A 15 -14.417 23.182 -25.823 1.00 14.51 C ATOM 217 O LYS A 15 -14.489 24.108 -26.631 1.00 50.52 O ATOM 218 CB LYS A 15 -15.818 21.553 -24.542 1.00 11.41 C ATOM 219 CG LYS A 15 -16.359 22.704 -23.711 1.00 24.13 C ATOM 220 CD LYS A 15 -17.773 22.428 -23.230 1.00 55.11 C ATOM 221 CE LYS A 15 -18.626 23.687 -23.256 1.00 13.20 C ATOM 222 NZ LYS A 15 -19.583 23.733 -22.115 1.00 45.03 N ATOM 0 H LYS A 15 -13.671 21.012 -26.759 1.00 33.33 H new ATOM 0 HA LYS A 15 -16.204 22.254 -26.538 1.00 55.00 H new ATOM 0 HB2 LYS A 15 -16.594 20.795 -24.647 1.00 11.41 H new ATOM 0 HB3 LYS A 15 -14.989 21.088 -24.008 1.00 11.41 H new ATOM 0 HG2 LYS A 15 -15.708 22.872 -22.853 1.00 24.13 H new ATOM 0 HG3 LYS A 15 -16.347 23.619 -24.304 1.00 24.13 H new ATOM 0 HD2 LYS A 15 -18.230 21.664 -23.859 1.00 55.11 H new ATOM 0 HD3 LYS A 15 -17.742 22.029 -22.216 1.00 55.11 H new ATOM 0 HE2 LYS A 15 -17.980 24.564 -23.223 1.00 13.20 H new ATOM 0 HE3 LYS A 15 -19.178 23.732 -24.195 1.00 13.20 H new ATOM 0 HZ1 LYS A 15 -20.146 24.606 -22.169 1.00 45.03 H new ATOM 0 HZ2 LYS A 15 -20.217 22.910 -22.160 1.00 45.03 H new ATOM 0 HZ3 LYS A 15 -19.056 23.716 -21.219 1.00 45.03 H new ATOM 236 N LYS A 16 -13.549 23.167 -24.818 1.00 24.23 N ATOM 237 CA LYS A 16 -12.608 24.259 -24.602 1.00 3.52 C ATOM 238 C LYS A 16 -13.306 25.610 -24.720 1.00 53.31 C ATOM 239 O LYS A 16 -13.073 26.359 -25.669 1.00 11.31 O ATOM 240 CB LYS A 16 -11.459 24.177 -25.610 1.00 10.43 C ATOM 241 CG LYS A 16 -10.134 23.771 -24.989 1.00 65.24 C ATOM 242 CD LYS A 16 -9.330 24.982 -24.548 1.00 3.33 C ATOM 243 CE LYS A 16 -10.095 25.819 -23.534 1.00 5.23 C ATOM 244 NZ LYS A 16 -9.289 26.973 -23.046 1.00 61.13 N ATOM 0 H LYS A 16 -13.478 22.409 -24.139 1.00 24.23 H new ATOM 0 HA LYS A 16 -12.206 24.164 -23.593 1.00 3.52 H new ATOM 0 HB2 LYS A 16 -11.720 23.461 -26.389 1.00 10.43 H new ATOM 0 HB3 LYS A 16 -11.342 25.146 -26.095 1.00 10.43 H new ATOM 0 HG2 LYS A 16 -10.316 23.123 -24.132 1.00 65.24 H new ATOM 0 HG3 LYS A 16 -9.556 23.192 -25.709 1.00 65.24 H new ATOM 0 HD2 LYS A 16 -8.386 24.655 -24.113 1.00 3.33 H new ATOM 0 HD3 LYS A 16 -9.086 25.594 -25.416 1.00 3.33 H new ATOM 0 HE2 LYS A 16 -11.016 26.185 -23.987 1.00 5.23 H new ATOM 0 HE3 LYS A 16 -10.382 25.193 -22.689 1.00 5.23 H new ATOM 0 HZ1 LYS A 16 -9.390 27.055 -22.014 1.00 61.13 H new ATOM 0 HZ2 LYS A 16 -8.288 26.823 -23.285 1.00 61.13 H new ATOM 0 HZ3 LYS A 16 -9.626 27.847 -23.497 1.00 61.13 H new ATOM 258 N ASP A 17 -14.162 25.916 -23.751 1.00 21.52 N ATOM 259 CA ASP A 17 -14.892 27.178 -23.745 1.00 73.32 C ATOM 260 C ASP A 17 -14.692 27.916 -22.425 1.00 64.23 C ATOM 261 O ASP A 17 -14.999 27.390 -21.355 1.00 64.23 O ATOM 262 CB ASP A 17 -16.383 26.930 -23.984 1.00 4.12 C ATOM 263 CG ASP A 17 -16.827 27.360 -25.368 1.00 43.31 C ATOM 264 OD1 ASP A 17 -16.713 26.546 -26.308 1.00 62.30 O ATOM 265 OD2 ASP A 17 -17.289 28.511 -25.511 1.00 41.33 O ATOM 0 H ASP A 17 -14.367 25.307 -22.959 1.00 21.52 H new ATOM 0 HA ASP A 17 -14.501 27.799 -24.550 1.00 73.32 H new ATOM 0 HB2 ASP A 17 -16.598 25.870 -23.850 1.00 4.12 H new ATOM 0 HB3 ASP A 17 -16.963 27.470 -23.235 1.00 4.12 H new ATOM 270 N TYR A 18 -14.174 29.136 -22.509 1.00 3.21 N ATOM 271 CA TYR A 18 -13.928 29.945 -21.321 1.00 55.30 C ATOM 272 C TYR A 18 -14.159 31.425 -21.613 1.00 2.03 C ATOM 273 O TYR A 18 -14.016 31.876 -22.750 1.00 63.41 O ATOM 274 CB TYR A 18 -12.500 29.730 -20.817 1.00 74.33 C ATOM 275 CG TYR A 18 -11.504 30.717 -21.381 1.00 42.11 C ATOM 276 CD1 TYR A 18 -10.979 30.552 -22.657 1.00 53.43 C ATOM 277 CD2 TYR A 18 -11.086 31.814 -20.638 1.00 21.12 C ATOM 278 CE1 TYR A 18 -10.068 31.452 -23.177 1.00 20.55 C ATOM 279 CE2 TYR A 18 -10.176 32.719 -21.149 1.00 73.15 C ATOM 280 CZ TYR A 18 -9.670 32.533 -22.419 1.00 50.30 C ATOM 281 OH TYR A 18 -8.763 33.432 -22.932 1.00 25.23 O ATOM 0 H TYR A 18 -13.916 29.587 -23.387 1.00 3.21 H new ATOM 0 HA TYR A 18 -14.629 29.631 -20.548 1.00 55.30 H new ATOM 0 HB2 TYR A 18 -12.493 29.801 -19.729 1.00 74.33 H new ATOM 0 HB3 TYR A 18 -12.182 28.719 -21.073 1.00 74.33 H new ATOM 0 HD1 TYR A 18 -11.288 29.706 -23.253 1.00 53.43 H new ATOM 0 HD2 TYR A 18 -11.480 31.962 -19.643 1.00 21.12 H new ATOM 0 HE1 TYR A 18 -9.670 31.309 -24.171 1.00 20.55 H new ATOM 0 HE2 TYR A 18 -9.863 33.567 -20.558 1.00 73.15 H new ATOM 0 HH TYR A 18 -8.590 34.135 -22.272 1.00 25.23 H new ATOM 291 N LEU A 19 -14.516 32.177 -20.577 1.00 61.42 N ATOM 292 CA LEU A 19 -14.766 33.607 -20.720 1.00 21.32 C ATOM 293 C LEU A 19 -13.555 34.419 -20.271 1.00 60.44 C ATOM 294 O LEU A 19 -12.732 33.944 -19.489 1.00 5.32 O ATOM 295 CB LEU A 19 -15.996 34.013 -19.907 1.00 12.03 C ATOM 296 CG LEU A 19 -15.763 34.264 -18.416 1.00 41.05 C ATOM 297 CD1 LEU A 19 -15.838 35.751 -18.108 1.00 3.24 C ATOM 298 CD2 LEU A 19 -16.774 33.492 -17.581 1.00 1.40 C ATOM 0 H LEU A 19 -14.639 31.820 -19.629 1.00 61.42 H new ATOM 0 HA LEU A 19 -14.950 33.815 -21.774 1.00 21.32 H new ATOM 0 HB2 LEU A 19 -16.414 34.919 -20.346 1.00 12.03 H new ATOM 0 HB3 LEU A 19 -16.749 33.232 -20.010 1.00 12.03 H new ATOM 0 HG LEU A 19 -14.765 33.911 -18.159 1.00 41.05 H new ATOM 0 HD11 LEU A 19 -15.670 35.911 -17.043 1.00 3.24 H new ATOM 0 HD12 LEU A 19 -15.075 36.280 -18.679 1.00 3.24 H new ATOM 0 HD13 LEU A 19 -16.823 36.130 -18.381 1.00 3.24 H new ATOM 0 HD21 LEU A 19 -16.593 33.682 -16.523 1.00 1.40 H new ATOM 0 HD22 LEU A 19 -17.782 33.814 -17.841 1.00 1.40 H new ATOM 0 HD23 LEU A 19 -16.672 32.425 -17.780 1.00 1.40 H new ATOM 310 N VAL A 20 -13.454 35.646 -20.771 1.00 11.30 N ATOM 311 CA VAL A 20 -12.346 36.526 -20.419 1.00 42.04 C ATOM 312 C VAL A 20 -12.182 36.627 -18.907 1.00 34.50 C ATOM 313 O VAL A 20 -13.154 36.824 -18.179 1.00 11.42 O ATOM 314 CB VAL A 20 -12.546 37.939 -20.998 1.00 43.32 C ATOM 315 CG1 VAL A 20 -12.320 37.937 -22.502 1.00 52.34 C ATOM 316 CG2 VAL A 20 -13.934 38.462 -20.660 1.00 24.15 C ATOM 0 H VAL A 20 -14.126 36.053 -21.421 1.00 11.30 H new ATOM 0 HA VAL A 20 -11.446 36.088 -20.850 1.00 42.04 H new ATOM 0 HB VAL A 20 -11.812 38.605 -20.545 1.00 43.32 H new ATOM 0 HG11 VAL A 20 -12.466 38.944 -22.893 1.00 52.34 H new ATOM 0 HG12 VAL A 20 -11.303 37.608 -22.717 1.00 52.34 H new ATOM 0 HG13 VAL A 20 -13.029 37.258 -22.976 1.00 52.34 H new ATOM 0 HG21 VAL A 20 -14.058 39.461 -21.077 1.00 24.15 H new ATOM 0 HG22 VAL A 20 -14.687 37.797 -21.083 1.00 24.15 H new ATOM 0 HG23 VAL A 20 -14.054 38.503 -19.577 1.00 24.15 H new ATOM 326 N GLY A 21 -10.945 36.489 -18.440 1.00 41.13 N ATOM 327 CA GLY A 21 -10.676 36.568 -17.016 1.00 71.24 C ATOM 328 C GLY A 21 -10.667 35.205 -16.352 1.00 0.41 C ATOM 329 O GLY A 21 -10.542 35.103 -15.131 1.00 41.44 O ATOM 0 H GLY A 21 -10.124 36.324 -19.022 1.00 41.13 H new ATOM 0 HA2 GLY A 21 -9.713 37.052 -16.858 1.00 71.24 H new ATOM 0 HA3 GLY A 21 -11.430 37.195 -16.541 1.00 71.24 H new ATOM 333 N ASP A 22 -10.801 34.156 -17.155 1.00 54.35 N ATOM 334 CA ASP A 22 -10.809 32.793 -16.638 1.00 62.21 C ATOM 335 C ASP A 22 -9.590 32.018 -17.131 1.00 14.25 C ATOM 336 O ASP A 22 -9.174 31.038 -16.513 1.00 14.02 O ATOM 337 CB ASP A 22 -12.091 32.072 -17.058 1.00 42.21 C ATOM 338 CG ASP A 22 -12.793 31.411 -15.888 1.00 52.24 C ATOM 339 OD1 ASP A 22 -13.069 32.109 -14.890 1.00 3.31 O ATOM 340 OD2 ASP A 22 -13.068 30.196 -15.972 1.00 13.22 O ATOM 0 H ASP A 22 -10.906 34.223 -18.167 1.00 54.35 H new ATOM 0 HA ASP A 22 -10.770 32.843 -15.550 1.00 62.21 H new ATOM 0 HB2 ASP A 22 -12.768 32.785 -17.528 1.00 42.21 H new ATOM 0 HB3 ASP A 22 -11.851 31.318 -17.808 1.00 42.21 H new ATOM 345 N SER A 23 -9.024 32.464 -18.247 1.00 45.00 N ATOM 346 CA SER A 23 -7.856 31.810 -18.825 1.00 63.23 C ATOM 347 C SER A 23 -8.174 30.367 -19.206 1.00 11.01 C ATOM 348 O SER A 23 -9.335 29.956 -19.211 1.00 31.40 O ATOM 349 CB SER A 23 -6.686 31.843 -17.840 1.00 21.01 C ATOM 350 OG SER A 23 -6.855 32.873 -16.882 1.00 11.50 O ATOM 0 H SER A 23 -9.355 33.275 -18.769 1.00 45.00 H new ATOM 0 HA SER A 23 -7.577 32.353 -19.728 1.00 63.23 H new ATOM 0 HB2 SER A 23 -6.605 30.881 -17.334 1.00 21.01 H new ATOM 0 HB3 SER A 23 -5.754 31.997 -18.383 1.00 21.01 H new ATOM 0 HG SER A 23 -6.095 32.872 -16.263 1.00 11.50 H new ATOM 356 N LEU A 24 -7.135 29.603 -19.524 1.00 71.02 N ATOM 357 CA LEU A 24 -7.302 28.205 -19.907 1.00 11.14 C ATOM 358 C LEU A 24 -8.174 27.465 -18.898 1.00 33.05 C ATOM 359 O LEU A 24 -7.962 27.563 -17.689 1.00 14.52 O ATOM 360 CB LEU A 24 -5.939 27.520 -20.019 1.00 1.24 C ATOM 361 CG LEU A 24 -5.618 26.881 -21.370 1.00 61.01 C ATOM 362 CD1 LEU A 24 -4.148 26.497 -21.444 1.00 12.35 C ATOM 363 CD2 LEU A 24 -6.501 25.665 -21.608 1.00 71.20 C ATOM 0 H LEU A 24 -6.168 29.928 -19.524 1.00 71.02 H new ATOM 0 HA LEU A 24 -7.797 28.176 -20.878 1.00 11.14 H new ATOM 0 HB2 LEU A 24 -5.166 28.255 -19.794 1.00 1.24 H new ATOM 0 HB3 LEU A 24 -5.878 26.749 -19.251 1.00 1.24 H new ATOM 0 HG LEU A 24 -5.821 27.612 -22.153 1.00 61.01 H new ATOM 0 HD11 LEU A 24 -3.939 26.044 -22.413 1.00 12.35 H new ATOM 0 HD12 LEU A 24 -3.533 27.388 -21.320 1.00 12.35 H new ATOM 0 HD13 LEU A 24 -3.918 25.784 -20.653 1.00 12.35 H new ATOM 0 HD21 LEU A 24 -6.259 25.223 -22.574 1.00 71.20 H new ATOM 0 HD22 LEU A 24 -6.330 24.931 -20.820 1.00 71.20 H new ATOM 0 HD23 LEU A 24 -7.548 25.968 -21.600 1.00 71.20 H new ATOM 375 N ASP A 25 -9.154 26.723 -19.402 1.00 63.12 N ATOM 376 CA ASP A 25 -10.056 25.963 -18.545 1.00 74.13 C ATOM 377 C ASP A 25 -10.208 24.531 -19.050 1.00 51.30 C ATOM 378 O ASP A 25 -9.568 23.611 -18.540 1.00 65.25 O ATOM 379 CB ASP A 25 -11.425 26.642 -18.481 1.00 34.10 C ATOM 380 CG ASP A 25 -12.481 25.758 -17.847 1.00 71.40 C ATOM 381 OD1 ASP A 25 -12.190 25.147 -16.798 1.00 35.34 O ATOM 382 OD2 ASP A 25 -13.598 25.676 -18.401 1.00 24.22 O ATOM 0 H ASP A 25 -9.344 26.632 -20.400 1.00 63.12 H new ATOM 0 HA ASP A 25 -9.627 25.932 -17.544 1.00 74.13 H new ATOM 0 HB2 ASP A 25 -11.342 27.568 -17.912 1.00 34.10 H new ATOM 0 HB3 ASP A 25 -11.740 26.914 -19.489 1.00 34.10 H new ATOM 387 N LEU A 26 -11.060 24.350 -20.053 1.00 50.41 N ATOM 388 CA LEU A 26 -11.297 23.030 -20.627 1.00 12.22 C ATOM 389 C LEU A 26 -11.611 22.011 -19.536 1.00 70.02 C ATOM 390 O LEU A 26 -10.716 21.338 -19.025 1.00 43.04 O ATOM 391 CB LEU A 26 -10.078 22.575 -21.430 1.00 41.15 C ATOM 392 CG LEU A 26 -10.197 21.214 -22.117 1.00 45.13 C ATOM 393 CD1 LEU A 26 -11.469 21.145 -22.948 1.00 25.50 C ATOM 394 CD2 LEU A 26 -8.975 20.946 -22.985 1.00 14.40 C ATOM 0 H LEU A 26 -11.598 25.101 -20.486 1.00 50.41 H new ATOM 0 HA LEU A 26 -12.157 23.099 -21.293 1.00 12.22 H new ATOM 0 HB2 LEU A 26 -9.868 23.327 -22.191 1.00 41.15 H new ATOM 0 HB3 LEU A 26 -9.217 22.548 -20.762 1.00 41.15 H new ATOM 0 HG LEU A 26 -10.248 20.443 -21.348 1.00 45.13 H new ATOM 0 HD11 LEU A 26 -11.537 20.169 -23.429 1.00 25.50 H new ATOM 0 HD12 LEU A 26 -12.334 21.291 -22.302 1.00 25.50 H new ATOM 0 HD13 LEU A 26 -11.449 21.925 -23.709 1.00 25.50 H new ATOM 0 HD21 LEU A 26 -9.077 19.973 -23.466 1.00 14.40 H new ATOM 0 HD22 LEU A 26 -8.893 21.721 -23.747 1.00 14.40 H new ATOM 0 HD23 LEU A 26 -8.079 20.952 -22.364 1.00 14.40 H new ATOM 406 N SER A 27 -12.888 21.901 -19.186 1.00 15.33 N ATOM 407 CA SER A 27 -13.321 20.965 -18.155 1.00 24.03 C ATOM 408 C SER A 27 -14.016 19.757 -18.775 1.00 21.11 C ATOM 409 O SER A 27 -14.549 18.904 -18.067 1.00 20.45 O ATOM 410 CB SER A 27 -14.262 21.659 -17.168 1.00 61.32 C ATOM 411 OG SER A 27 -13.674 21.753 -15.882 1.00 62.23 O ATOM 0 H SER A 27 -13.642 22.449 -19.601 1.00 15.33 H new ATOM 0 HA SER A 27 -12.437 20.618 -17.620 1.00 24.03 H new ATOM 0 HB2 SER A 27 -14.506 22.657 -17.533 1.00 61.32 H new ATOM 0 HB3 SER A 27 -15.199 21.105 -17.103 1.00 61.32 H new ATOM 0 HG SER A 27 -14.295 22.202 -15.271 1.00 62.23 H new ATOM 417 N GLU A 28 -14.005 19.693 -20.103 1.00 34.03 N ATOM 418 CA GLU A 28 -14.636 18.590 -20.819 1.00 3.13 C ATOM 419 C GLU A 28 -13.588 17.616 -21.349 1.00 23.23 C ATOM 420 O GLU A 28 -13.909 16.497 -21.747 1.00 54.34 O ATOM 421 CB GLU A 28 -15.484 19.123 -21.975 1.00 72.54 C ATOM 422 CG GLU A 28 -16.940 19.351 -21.607 1.00 55.21 C ATOM 423 CD GLU A 28 -17.741 18.064 -21.568 1.00 55.22 C ATOM 424 OE1 GLU A 28 -17.129 16.990 -21.393 1.00 1.14 O ATOM 425 OE2 GLU A 28 -18.980 18.131 -21.714 1.00 22.24 O ATOM 0 H GLU A 28 -13.567 20.391 -20.704 1.00 34.03 H new ATOM 0 HA GLU A 28 -15.281 18.058 -20.120 1.00 3.13 H new ATOM 0 HB2 GLU A 28 -15.055 20.062 -22.326 1.00 72.54 H new ATOM 0 HB3 GLU A 28 -15.434 18.419 -22.806 1.00 72.54 H new ATOM 0 HG2 GLU A 28 -16.993 19.837 -20.633 1.00 55.21 H new ATOM 0 HG3 GLU A 28 -17.390 20.033 -22.328 1.00 55.21 H new ATOM 432 N GLY A 29 -12.331 18.050 -21.350 1.00 40.42 N ATOM 433 CA GLY A 29 -11.255 17.206 -21.834 1.00 25.33 C ATOM 434 C GLY A 29 -10.528 16.492 -20.711 1.00 14.14 C ATOM 435 O GLY A 29 -9.505 16.971 -20.221 1.00 73.11 O ATOM 0 H GLY A 29 -12.039 18.971 -21.024 1.00 40.42 H new ATOM 0 HA2 GLY A 29 -11.660 16.469 -22.527 1.00 25.33 H new ATOM 0 HA3 GLY A 29 -10.544 17.814 -22.394 1.00 25.33 H new ATOM 439 N ARG A 30 -11.059 15.345 -20.300 1.00 60.10 N ATOM 440 CA ARG A 30 -10.456 14.566 -19.225 1.00 71.33 C ATOM 441 C ARG A 30 -9.995 13.203 -19.734 1.00 50.14 C ATOM 442 O ARG A 30 -10.529 12.681 -20.713 1.00 53.01 O ATOM 443 CB ARG A 30 -11.452 14.383 -18.078 1.00 41.34 C ATOM 444 CG ARG A 30 -12.590 13.430 -18.405 1.00 43.14 C ATOM 445 CD ARG A 30 -13.943 14.109 -18.265 1.00 51.24 C ATOM 446 NE ARG A 30 -15.040 13.230 -18.660 1.00 32.31 N ATOM 447 CZ ARG A 30 -16.309 13.619 -18.721 1.00 3.21 C ATOM 448 NH1 ARG A 30 -16.638 14.867 -18.415 1.00 71.51 N ATOM 449 NH2 ARG A 30 -17.251 12.760 -19.089 1.00 2.21 N ATOM 0 H ARG A 30 -11.905 14.935 -20.695 1.00 60.10 H new ATOM 0 HA ARG A 30 -9.586 15.112 -18.859 1.00 71.33 H new ATOM 0 HB2 ARG A 30 -10.920 14.013 -17.202 1.00 41.34 H new ATOM 0 HB3 ARG A 30 -11.868 15.354 -17.811 1.00 41.34 H new ATOM 0 HG2 ARG A 30 -12.473 13.057 -19.422 1.00 43.14 H new ATOM 0 HG3 ARG A 30 -12.545 12.566 -17.742 1.00 43.14 H new ATOM 0 HD2 ARG A 30 -14.085 14.424 -17.231 1.00 51.24 H new ATOM 0 HD3 ARG A 30 -13.962 15.010 -18.878 1.00 51.24 H new ATOM 0 HE ARG A 30 -14.820 12.264 -18.902 1.00 32.31 H new ATOM 0 HH11 ARG A 30 -15.916 15.530 -18.132 1.00 71.51 H new ATOM 0 HH12 ARG A 30 -17.613 15.164 -18.462 1.00 71.51 H new ATOM 0 HH21 ARG A 30 -17.001 11.800 -19.325 1.00 2.21 H new ATOM 0 HH22 ARG A 30 -18.225 13.060 -19.135 1.00 2.21 H new ATOM 463 N PHE A 31 -9.000 12.633 -19.064 1.00 25.31 N ATOM 464 CA PHE A 31 -8.465 11.332 -19.449 1.00 71.30 C ATOM 465 C PHE A 31 -8.574 10.336 -18.298 1.00 15.44 C ATOM 466 O PHE A 31 -8.520 10.716 -17.128 1.00 71.51 O ATOM 467 CB PHE A 31 -7.005 11.465 -19.886 1.00 3.45 C ATOM 468 CG PHE A 31 -6.058 11.707 -18.745 1.00 21.01 C ATOM 469 CD1 PHE A 31 -6.063 12.915 -18.067 1.00 14.32 C ATOM 470 CD2 PHE A 31 -5.163 10.726 -18.350 1.00 62.34 C ATOM 471 CE1 PHE A 31 -5.193 13.140 -17.017 1.00 45.44 C ATOM 472 CE2 PHE A 31 -4.290 10.945 -17.301 1.00 62.14 C ATOM 473 CZ PHE A 31 -4.306 12.154 -16.633 1.00 64.44 C ATOM 0 H PHE A 31 -8.547 13.051 -18.251 1.00 25.31 H new ATOM 0 HA PHE A 31 -9.055 10.959 -20.286 1.00 71.30 H new ATOM 0 HB2 PHE A 31 -6.706 10.557 -20.409 1.00 3.45 H new ATOM 0 HB3 PHE A 31 -6.920 12.286 -20.598 1.00 3.45 H new ATOM 0 HD1 PHE A 31 -6.755 13.690 -18.362 1.00 14.32 H new ATOM 0 HD2 PHE A 31 -5.147 9.779 -18.868 1.00 62.34 H new ATOM 0 HE1 PHE A 31 -5.207 14.087 -16.497 1.00 45.44 H new ATOM 0 HE2 PHE A 31 -3.596 10.172 -17.004 1.00 62.14 H new ATOM 0 HZ PHE A 31 -3.626 12.328 -15.812 1.00 64.44 H new ATOM 483 N ALA A 32 -8.730 9.061 -18.638 1.00 44.24 N ATOM 484 CA ALA A 32 -8.845 8.011 -17.634 1.00 72.24 C ATOM 485 C ALA A 32 -7.580 7.161 -17.581 1.00 11.25 C ATOM 486 O ALA A 32 -7.203 6.527 -18.566 1.00 55.23 O ATOM 487 CB ALA A 32 -10.058 7.138 -17.921 1.00 62.34 C ATOM 0 H ALA A 32 -8.780 8.730 -19.602 1.00 44.24 H new ATOM 0 HA ALA A 32 -8.974 8.485 -16.661 1.00 72.24 H new ATOM 0 HB1 ALA A 32 -10.132 6.358 -17.164 1.00 62.34 H new ATOM 0 HB2 ALA A 32 -10.960 7.750 -17.901 1.00 62.34 H new ATOM 0 HB3 ALA A 32 -9.952 6.680 -18.904 1.00 62.34 H new ATOM 493 N VAL A 33 -6.927 7.153 -16.423 1.00 1.32 N ATOM 494 CA VAL A 33 -5.704 6.381 -16.240 1.00 43.04 C ATOM 495 C VAL A 33 -5.935 5.199 -15.306 1.00 64.53 C ATOM 496 O VAL A 33 -6.605 5.325 -14.282 1.00 52.03 O ATOM 497 CB VAL A 33 -4.568 7.254 -15.675 1.00 0.05 C ATOM 498 CG1 VAL A 33 -4.850 7.625 -14.227 1.00 14.52 C ATOM 499 CG2 VAL A 33 -3.232 6.536 -15.799 1.00 15.24 C ATOM 0 H VAL A 33 -7.225 7.673 -15.597 1.00 1.32 H new ATOM 0 HA VAL A 33 -5.413 6.012 -17.223 1.00 43.04 H new ATOM 0 HB VAL A 33 -4.516 8.174 -16.258 1.00 0.05 H new ATOM 0 HG11 VAL A 33 -4.037 8.242 -13.844 1.00 14.52 H new ATOM 0 HG12 VAL A 33 -5.785 8.181 -14.170 1.00 14.52 H new ATOM 0 HG13 VAL A 33 -4.930 6.718 -13.628 1.00 14.52 H new ATOM 0 HG21 VAL A 33 -2.441 7.167 -15.395 1.00 15.24 H new ATOM 0 HG22 VAL A 33 -3.269 5.600 -15.242 1.00 15.24 H new ATOM 0 HG23 VAL A 33 -3.028 6.326 -16.849 1.00 15.24 H new ATOM 509 N ALA A 34 -5.374 4.049 -15.667 1.00 23.35 N ATOM 510 CA ALA A 34 -5.516 2.843 -14.859 1.00 51.43 C ATOM 511 C ALA A 34 -4.216 2.511 -14.135 1.00 11.12 C ATOM 512 O ALA A 34 -3.154 2.428 -14.752 1.00 1.41 O ATOM 513 CB ALA A 34 -5.951 1.674 -15.730 1.00 34.24 C ATOM 0 H ALA A 34 -4.817 3.927 -16.513 1.00 23.35 H new ATOM 0 HA ALA A 34 -6.283 3.027 -14.107 1.00 51.43 H new ATOM 0 HB1 ALA A 34 -6.053 0.780 -15.115 1.00 34.24 H new ATOM 0 HB2 ALA A 34 -6.909 1.905 -16.197 1.00 34.24 H new ATOM 0 HB3 ALA A 34 -5.203 1.498 -16.503 1.00 34.24 H new ATOM 519 N TYR A 35 -4.307 2.322 -12.823 1.00 50.41 N ATOM 520 CA TYR A 35 -3.137 2.002 -12.014 1.00 50.31 C ATOM 521 C TYR A 35 -2.924 0.494 -11.938 1.00 65.40 C ATOM 522 O TYR A 35 -3.869 -0.285 -12.058 1.00 71.43 O ATOM 523 CB TYR A 35 -3.292 2.578 -10.606 1.00 2.34 C ATOM 524 CG TYR A 35 -3.429 4.084 -10.579 1.00 31.22 C ATOM 525 CD1 TYR A 35 -4.623 4.698 -10.937 1.00 43.51 C ATOM 526 CD2 TYR A 35 -2.365 4.892 -10.196 1.00 75.33 C ATOM 527 CE1 TYR A 35 -4.753 6.074 -10.915 1.00 22.31 C ATOM 528 CE2 TYR A 35 -2.487 6.267 -10.170 1.00 1.53 C ATOM 529 CZ TYR A 35 -3.682 6.854 -10.530 1.00 73.31 C ATOM 530 OH TYR A 35 -3.807 8.224 -10.506 1.00 61.12 O ATOM 0 H TYR A 35 -5.179 2.385 -12.297 1.00 50.41 H new ATOM 0 HA TYR A 35 -2.264 2.451 -12.489 1.00 50.31 H new ATOM 0 HB2 TYR A 35 -4.169 2.133 -10.135 1.00 2.34 H new ATOM 0 HB3 TYR A 35 -2.428 2.289 -10.007 1.00 2.34 H new ATOM 0 HD1 TYR A 35 -5.464 4.090 -11.237 1.00 43.51 H new ATOM 0 HD2 TYR A 35 -1.427 4.437 -9.914 1.00 75.33 H new ATOM 0 HE1 TYR A 35 -5.687 6.536 -11.198 1.00 22.31 H new ATOM 0 HE2 TYR A 35 -1.650 6.880 -9.869 1.00 1.53 H new ATOM 0 HH TYR A 35 -2.962 8.624 -10.211 1.00 61.12 H new ATOM 540 N SER A 36 -1.674 0.089 -11.737 1.00 24.21 N ATOM 541 CA SER A 36 -1.333 -1.326 -11.648 1.00 33.35 C ATOM 542 C SER A 36 -1.921 -1.948 -10.384 1.00 4.52 C ATOM 543 O SER A 36 -1.951 -3.168 -10.236 1.00 23.44 O ATOM 544 CB SER A 36 0.186 -1.509 -11.661 1.00 35.21 C ATOM 545 OG SER A 36 0.748 -1.196 -10.399 1.00 1.15 O ATOM 0 H SER A 36 -0.880 0.721 -11.633 1.00 24.21 H new ATOM 0 HA SER A 36 -1.760 -1.832 -12.514 1.00 33.35 H new ATOM 0 HB2 SER A 36 0.429 -2.538 -11.926 1.00 35.21 H new ATOM 0 HB3 SER A 36 0.626 -0.870 -12.427 1.00 35.21 H new ATOM 0 HG SER A 36 1.719 -1.323 -10.433 1.00 1.15 H new ATOM 551 N ASN A 37 -2.387 -1.097 -9.475 1.00 43.34 N ATOM 552 CA ASN A 37 -2.973 -1.561 -8.223 1.00 51.23 C ATOM 553 C ASN A 37 -4.491 -1.658 -8.337 1.00 34.42 C ATOM 554 O ASN A 37 -5.204 -1.601 -7.335 1.00 11.14 O ATOM 555 CB ASN A 37 -2.596 -0.618 -7.079 1.00 24.12 C ATOM 556 CG ASN A 37 -2.553 -1.325 -5.738 1.00 3.12 C ATOM 557 OD1 ASN A 37 -3.429 -1.134 -4.895 1.00 10.24 O ATOM 558 ND2 ASN A 37 -1.530 -2.147 -5.535 1.00 5.21 N ATOM 0 H ASN A 37 -2.370 -0.083 -9.582 1.00 43.34 H new ATOM 0 HA ASN A 37 -2.577 -2.554 -8.011 1.00 51.23 H new ATOM 0 HB2 ASN A 37 -1.622 -0.174 -7.284 1.00 24.12 H new ATOM 0 HB3 ASN A 37 -3.316 0.199 -7.033 1.00 24.12 H new ATOM 0 HD21 ASN A 37 -1.448 -2.650 -4.652 1.00 5.21 H new ATOM 0 HD22 ASN A 37 -0.826 -2.275 -6.262 1.00 5.21 H new ATOM 565 N ASP A 38 -4.979 -1.807 -9.564 1.00 1.24 N ATOM 566 CA ASP A 38 -6.412 -1.914 -9.809 1.00 34.31 C ATOM 567 C ASP A 38 -7.135 -0.645 -9.370 1.00 54.33 C ATOM 568 O ASP A 38 -7.899 -0.654 -8.404 1.00 3.42 O ATOM 569 CB ASP A 38 -6.988 -3.125 -9.072 1.00 12.52 C ATOM 570 CG ASP A 38 -8.387 -3.475 -9.539 1.00 14.35 C ATOM 571 OD1 ASP A 38 -8.525 -3.979 -10.672 1.00 53.04 O ATOM 572 OD2 ASP A 38 -9.345 -3.244 -8.770 1.00 42.22 O ATOM 0 H ASP A 38 -4.403 -1.856 -10.404 1.00 1.24 H new ATOM 0 HA ASP A 38 -6.563 -2.044 -10.881 1.00 34.31 H new ATOM 0 HB2 ASP A 38 -6.333 -3.983 -9.222 1.00 12.52 H new ATOM 0 HB3 ASP A 38 -7.006 -2.920 -8.002 1.00 12.52 H new ATOM 577 N THR A 39 -6.889 0.448 -10.087 1.00 34.04 N ATOM 578 CA THR A 39 -7.515 1.726 -9.771 1.00 23.15 C ATOM 579 C THR A 39 -7.680 2.581 -11.021 1.00 41.53 C ATOM 580 O THR A 39 -6.947 2.420 -11.996 1.00 62.24 O ATOM 581 CB THR A 39 -6.694 2.511 -8.730 1.00 64.11 C ATOM 582 OG1 THR A 39 -5.540 1.755 -8.345 1.00 33.14 O ATOM 583 CG2 THR A 39 -7.535 2.825 -7.502 1.00 24.51 C ATOM 0 H THR A 39 -6.261 0.473 -10.890 1.00 34.04 H new ATOM 0 HA THR A 39 -8.497 1.503 -9.355 1.00 23.15 H new ATOM 0 HB THR A 39 -6.377 3.451 -9.183 1.00 64.11 H new ATOM 0 HG1 THR A 39 -5.023 2.261 -7.684 1.00 33.14 H new ATOM 0 HG21 THR A 39 -6.934 3.379 -6.781 1.00 24.51 H new ATOM 0 HG22 THR A 39 -8.396 3.426 -7.795 1.00 24.51 H new ATOM 0 HG23 THR A 39 -7.878 1.895 -7.049 1.00 24.51 H new ATOM 591 N MET A 40 -8.647 3.492 -10.986 1.00 1.51 N ATOM 592 CA MET A 40 -8.906 4.375 -12.117 1.00 54.24 C ATOM 593 C MET A 40 -9.220 5.790 -11.642 1.00 53.20 C ATOM 594 O MET A 40 -10.027 5.984 -10.734 1.00 15.12 O ATOM 595 CB MET A 40 -10.067 3.837 -12.956 1.00 33.01 C ATOM 596 CG MET A 40 -9.735 2.556 -13.703 1.00 24.42 C ATOM 597 SD MET A 40 -11.034 2.064 -14.852 1.00 40.33 S ATOM 598 CE MET A 40 -10.072 1.238 -16.118 1.00 12.54 C ATOM 0 H MET A 40 -9.264 3.638 -10.187 1.00 1.51 H new ATOM 0 HA MET A 40 -8.007 4.409 -12.732 1.00 54.24 H new ATOM 0 HB2 MET A 40 -10.922 3.657 -12.305 1.00 33.01 H new ATOM 0 HB3 MET A 40 -10.369 4.599 -13.675 1.00 33.01 H new ATOM 0 HG2 MET A 40 -8.803 2.691 -14.251 1.00 24.42 H new ATOM 0 HG3 MET A 40 -9.568 1.754 -12.984 1.00 24.42 H new ATOM 0 HE1 MET A 40 -10.737 0.876 -16.902 1.00 12.54 H new ATOM 0 HE2 MET A 40 -9.355 1.939 -16.545 1.00 12.54 H new ATOM 0 HE3 MET A 40 -9.538 0.396 -15.678 1.00 12.54 H new ATOM 608 N GLU A 41 -8.577 6.775 -12.262 1.00 22.41 N ATOM 609 CA GLU A 41 -8.788 8.171 -11.900 1.00 1.30 C ATOM 610 C GLU A 41 -9.001 9.029 -13.144 1.00 13.33 C ATOM 611 O GLU A 41 -8.270 8.909 -14.126 1.00 22.13 O ATOM 612 CB GLU A 41 -7.595 8.700 -11.101 1.00 21.02 C ATOM 613 CG GLU A 41 -7.357 7.955 -9.798 1.00 12.42 C ATOM 614 CD GLU A 41 -8.277 8.419 -8.685 1.00 31.31 C ATOM 615 OE1 GLU A 41 -9.280 9.099 -8.989 1.00 63.42 O ATOM 616 OE2 GLU A 41 -7.995 8.102 -7.511 1.00 1.15 O ATOM 0 H GLU A 41 -7.906 6.632 -13.017 1.00 22.41 H new ATOM 0 HA GLU A 41 -9.684 8.228 -11.282 1.00 1.30 H new ATOM 0 HB2 GLU A 41 -6.698 8.634 -11.717 1.00 21.02 H new ATOM 0 HB3 GLU A 41 -7.754 9.756 -10.882 1.00 21.02 H new ATOM 0 HG2 GLU A 41 -7.502 6.887 -9.963 1.00 12.42 H new ATOM 0 HG3 GLU A 41 -6.321 8.093 -9.489 1.00 12.42 H new ATOM 623 N GLU A 42 -10.009 9.895 -13.093 1.00 33.44 N ATOM 624 CA GLU A 42 -10.320 10.772 -14.215 1.00 61.45 C ATOM 625 C GLU A 42 -10.176 12.238 -13.817 1.00 23.50 C ATOM 626 O GLU A 42 -10.650 12.655 -12.760 1.00 21.32 O ATOM 627 CB GLU A 42 -11.740 10.506 -14.721 1.00 4.30 C ATOM 628 CG GLU A 42 -12.823 10.967 -13.761 1.00 55.41 C ATOM 629 CD GLU A 42 -14.219 10.636 -14.254 1.00 43.21 C ATOM 630 OE1 GLU A 42 -14.396 10.490 -15.481 1.00 62.14 O ATOM 631 OE2 GLU A 42 -15.134 10.523 -13.411 1.00 44.14 O ATOM 0 H GLU A 42 -10.624 10.007 -12.287 1.00 33.44 H new ATOM 0 HA GLU A 42 -9.611 10.560 -15.015 1.00 61.45 H new ATOM 0 HB2 GLU A 42 -11.876 11.009 -15.678 1.00 4.30 H new ATOM 0 HB3 GLU A 42 -11.858 9.438 -14.903 1.00 4.30 H new ATOM 0 HG2 GLU A 42 -12.665 10.500 -12.789 1.00 55.41 H new ATOM 0 HG3 GLU A 42 -12.739 12.044 -13.615 1.00 55.41 H new ATOM 638 N HIS A 43 -9.517 13.015 -14.671 1.00 31.21 N ATOM 639 CA HIS A 43 -9.310 14.435 -14.409 1.00 22.42 C ATOM 640 C HIS A 43 -9.325 15.235 -15.708 1.00 33.23 C ATOM 641 O HIS A 43 -8.820 14.781 -16.734 1.00 23.50 O ATOM 642 CB HIS A 43 -7.984 14.652 -13.678 1.00 74.31 C ATOM 643 CG HIS A 43 -7.769 13.708 -12.535 1.00 62.24 C ATOM 644 ND1 HIS A 43 -8.494 13.766 -11.364 1.00 5.32 N ATOM 645 CD2 HIS A 43 -6.904 12.676 -12.390 1.00 52.51 C ATOM 646 CE1 HIS A 43 -8.083 12.813 -10.547 1.00 1.04 C ATOM 647 NE2 HIS A 43 -7.119 12.137 -11.146 1.00 12.12 N ATOM 0 H HIS A 43 -9.117 12.685 -15.550 1.00 31.21 H new ATOM 0 HA HIS A 43 -10.126 14.786 -13.778 1.00 22.42 H new ATOM 0 HB2 HIS A 43 -7.165 14.542 -14.388 1.00 74.31 H new ATOM 0 HB3 HIS A 43 -7.947 15.676 -13.305 1.00 74.31 H new ATOM 0 HD1 HIS A 43 -9.232 14.440 -11.160 1.00 5.32 H new ATOM 0 HD2 HIS A 43 -6.180 12.340 -13.117 1.00 52.51 H new ATOM 0 HE1 HIS A 43 -8.469 12.619 -9.557 1.00 1.04 H new ATOM 655 N SER A 44 -9.909 16.428 -15.655 1.00 74.44 N ATOM 656 CA SER A 44 -9.995 17.289 -16.829 1.00 2.01 C ATOM 657 C SER A 44 -9.066 18.492 -16.689 1.00 33.42 C ATOM 658 O SER A 44 -9.156 19.251 -15.724 1.00 32.23 O ATOM 659 CB SER A 44 -11.434 17.763 -17.036 1.00 15.42 C ATOM 660 OG SER A 44 -11.701 18.930 -16.277 1.00 11.10 O ATOM 0 H SER A 44 -10.329 16.820 -14.812 1.00 74.44 H new ATOM 0 HA SER A 44 -9.683 16.710 -17.698 1.00 2.01 H new ATOM 0 HB2 SER A 44 -11.605 17.966 -18.093 1.00 15.42 H new ATOM 0 HB3 SER A 44 -12.126 16.972 -16.748 1.00 15.42 H new ATOM 0 HG SER A 44 -10.957 19.097 -15.661 1.00 11.10 H new ATOM 666 N PHE A 45 -8.174 18.658 -17.659 1.00 40.33 N ATOM 667 CA PHE A 45 -7.227 19.767 -17.645 1.00 53.41 C ATOM 668 C PHE A 45 -6.618 19.945 -16.257 1.00 60.34 C ATOM 669 O PHE A 45 -6.778 20.989 -15.624 1.00 74.23 O ATOM 670 CB PHE A 45 -7.919 21.061 -18.080 1.00 45.31 C ATOM 671 CG PHE A 45 -6.965 22.194 -18.333 1.00 55.31 C ATOM 672 CD1 PHE A 45 -6.140 22.187 -19.446 1.00 4.15 C ATOM 673 CD2 PHE A 45 -6.895 23.266 -17.458 1.00 51.30 C ATOM 674 CE1 PHE A 45 -5.262 23.228 -19.682 1.00 4.35 C ATOM 675 CE2 PHE A 45 -6.020 24.310 -17.689 1.00 44.40 C ATOM 676 CZ PHE A 45 -5.201 24.291 -18.801 1.00 60.24 C ATOM 0 H PHE A 45 -8.087 18.039 -18.465 1.00 40.33 H new ATOM 0 HA PHE A 45 -6.426 19.537 -18.347 1.00 53.41 H new ATOM 0 HB2 PHE A 45 -8.493 20.870 -18.987 1.00 45.31 H new ATOM 0 HB3 PHE A 45 -8.630 21.360 -17.310 1.00 45.31 H new ATOM 0 HD1 PHE A 45 -6.183 21.358 -20.137 1.00 4.15 H new ATOM 0 HD2 PHE A 45 -7.531 23.286 -16.586 1.00 51.30 H new ATOM 0 HE1 PHE A 45 -4.625 23.211 -20.554 1.00 4.35 H new ATOM 0 HE2 PHE A 45 -5.976 25.141 -17.000 1.00 44.40 H new ATOM 0 HZ PHE A 45 -4.515 25.105 -18.982 1.00 60.24 H new ATOM 686 N THR A 46 -5.918 18.916 -15.789 1.00 43.12 N ATOM 687 CA THR A 46 -5.286 18.956 -14.477 1.00 4.03 C ATOM 688 C THR A 46 -3.924 18.271 -14.501 1.00 41.12 C ATOM 689 O THR A 46 -2.898 18.899 -14.238 1.00 30.31 O ATOM 690 CB THR A 46 -6.167 18.283 -13.408 1.00 31.21 C ATOM 691 OG1 THR A 46 -7.346 17.743 -14.015 1.00 33.34 O ATOM 692 CG2 THR A 46 -6.558 19.276 -12.324 1.00 43.43 C ATOM 0 H THR A 46 -5.775 18.045 -16.300 1.00 43.12 H new ATOM 0 HA THR A 46 -5.156 20.008 -14.221 1.00 4.03 H new ATOM 0 HB THR A 46 -5.593 17.478 -12.950 1.00 31.21 H new ATOM 0 HG1 THR A 46 -8.116 17.901 -13.430 1.00 33.34 H new ATOM 0 HG21 THR A 46 -7.180 18.777 -11.581 1.00 43.43 H new ATOM 0 HG22 THR A 46 -5.659 19.663 -11.844 1.00 43.43 H new ATOM 0 HG23 THR A 46 -7.115 20.100 -12.769 1.00 43.43 H new ATOM 700 N ASP A 47 -3.921 16.981 -14.819 1.00 54.43 N ATOM 701 CA ASP A 47 -2.685 16.211 -14.880 1.00 5.30 C ATOM 702 C ASP A 47 -1.652 16.910 -15.759 1.00 3.35 C ATOM 703 O ASP A 47 -1.997 17.532 -16.763 1.00 2.13 O ATOM 704 CB ASP A 47 -2.960 14.805 -15.415 1.00 42.34 C ATOM 705 CG ASP A 47 -1.722 13.930 -15.407 1.00 41.14 C ATOM 706 OD1 ASP A 47 -1.014 13.913 -14.379 1.00 12.51 O ATOM 707 OD2 ASP A 47 -1.460 13.262 -16.430 1.00 54.41 O ATOM 0 H ASP A 47 -4.762 16.447 -15.039 1.00 54.43 H new ATOM 0 HA ASP A 47 -2.284 16.134 -13.869 1.00 5.30 H new ATOM 0 HB2 ASP A 47 -3.737 14.335 -14.812 1.00 42.34 H new ATOM 0 HB3 ASP A 47 -3.345 14.875 -16.432 1.00 42.34 H new ATOM 712 N GLU A 48 -0.384 16.804 -15.372 1.00 12.21 N ATOM 713 CA GLU A 48 0.698 17.428 -16.124 1.00 50.20 C ATOM 714 C GLU A 48 1.311 16.442 -17.115 1.00 1.55 C ATOM 715 O GLU A 48 2.445 16.616 -17.559 1.00 2.25 O ATOM 716 CB GLU A 48 1.777 17.949 -15.172 1.00 33.32 C ATOM 717 CG GLU A 48 1.929 19.460 -15.193 1.00 3.40 C ATOM 718 CD GLU A 48 2.870 19.967 -14.117 1.00 20.21 C ATOM 719 OE1 GLU A 48 2.968 19.313 -13.058 1.00 21.31 O ATOM 720 OE2 GLU A 48 3.508 21.018 -14.335 1.00 25.12 O ATOM 0 H GLU A 48 -0.082 16.292 -14.543 1.00 12.21 H new ATOM 0 HA GLU A 48 0.281 18.266 -16.682 1.00 50.20 H new ATOM 0 HB2 GLU A 48 1.539 17.630 -14.157 1.00 33.32 H new ATOM 0 HB3 GLU A 48 2.732 17.493 -15.434 1.00 33.32 H new ATOM 0 HG2 GLU A 48 2.299 19.771 -16.170 1.00 3.40 H new ATOM 0 HG3 GLU A 48 0.950 19.922 -15.062 1.00 3.40 H new ATOM 727 N GLY A 49 0.552 15.406 -17.456 1.00 74.20 N ATOM 728 CA GLY A 49 1.036 14.407 -18.391 1.00 4.04 C ATOM 729 C GLY A 49 0.773 14.788 -19.834 1.00 64.41 C ATOM 730 O GLY A 49 1.415 14.268 -20.747 1.00 52.25 O ATOM 0 H GLY A 49 -0.390 15.240 -17.102 1.00 74.20 H new ATOM 0 HA2 GLY A 49 2.107 14.266 -18.245 1.00 4.04 H new ATOM 0 HA3 GLY A 49 0.557 13.452 -18.178 1.00 4.04 H new ATOM 734 N VAL A 50 -0.174 15.696 -20.042 1.00 13.43 N ATOM 735 CA VAL A 50 -0.521 16.146 -21.385 1.00 34.15 C ATOM 736 C VAL A 50 -0.074 17.585 -21.615 1.00 64.34 C ATOM 737 O VAL A 50 -0.262 18.448 -20.759 1.00 44.10 O ATOM 738 CB VAL A 50 -2.038 16.045 -21.636 1.00 3.14 C ATOM 739 CG1 VAL A 50 -2.529 14.629 -21.378 1.00 21.14 C ATOM 740 CG2 VAL A 50 -2.788 17.045 -20.769 1.00 34.21 C ATOM 0 H VAL A 50 -0.715 16.135 -19.297 1.00 13.43 H new ATOM 0 HA VAL A 50 0.000 15.491 -22.083 1.00 34.15 H new ATOM 0 HB VAL A 50 -2.233 16.286 -22.681 1.00 3.14 H new ATOM 0 HG11 VAL A 50 -3.602 14.577 -21.560 1.00 21.14 H new ATOM 0 HG12 VAL A 50 -2.014 13.938 -22.045 1.00 21.14 H new ATOM 0 HG13 VAL A 50 -2.323 14.355 -20.343 1.00 21.14 H new ATOM 0 HG21 VAL A 50 -3.858 16.960 -20.959 1.00 34.21 H new ATOM 0 HG22 VAL A 50 -2.588 16.837 -19.718 1.00 34.21 H new ATOM 0 HG23 VAL A 50 -2.456 18.055 -21.008 1.00 34.21 H new ATOM 750 N GLU A 51 0.519 17.835 -22.779 1.00 23.14 N ATOM 751 CA GLU A 51 0.994 19.170 -23.122 1.00 3.24 C ATOM 752 C GLU A 51 0.258 19.713 -24.343 1.00 35.21 C ATOM 753 O GLU A 51 0.152 19.038 -25.367 1.00 60.14 O ATOM 754 CB GLU A 51 2.501 19.147 -23.390 1.00 35.32 C ATOM 755 CG GLU A 51 3.338 18.934 -22.140 1.00 20.10 C ATOM 756 CD GLU A 51 4.366 17.832 -22.307 1.00 61.13 C ATOM 757 OE1 GLU A 51 4.910 17.693 -23.423 1.00 52.11 O ATOM 758 OE2 GLU A 51 4.627 17.109 -21.323 1.00 72.45 O ATOM 0 H GLU A 51 0.681 17.131 -23.499 1.00 23.14 H new ATOM 0 HA GLU A 51 0.793 19.827 -22.276 1.00 3.24 H new ATOM 0 HB2 GLU A 51 2.722 18.354 -24.105 1.00 35.32 H new ATOM 0 HB3 GLU A 51 2.793 20.088 -23.857 1.00 35.32 H new ATOM 0 HG2 GLU A 51 3.846 19.864 -21.885 1.00 20.10 H new ATOM 0 HG3 GLU A 51 2.681 18.690 -21.305 1.00 20.10 H new ATOM 765 N ILE A 52 -0.250 20.935 -24.225 1.00 74.14 N ATOM 766 CA ILE A 52 -0.977 21.568 -25.319 1.00 45.31 C ATOM 767 C ILE A 52 -0.088 22.553 -26.071 1.00 61.05 C ATOM 768 O ILE A 52 0.694 23.286 -25.467 1.00 4.22 O ATOM 769 CB ILE A 52 -2.228 22.308 -24.810 1.00 45.41 C ATOM 770 CG1 ILE A 52 -2.917 21.495 -23.713 1.00 73.32 C ATOM 771 CG2 ILE A 52 -3.187 22.579 -25.959 1.00 71.24 C ATOM 772 CD1 ILE A 52 -3.335 20.111 -24.159 1.00 51.14 C ATOM 0 H ILE A 52 -0.172 21.506 -23.384 1.00 74.14 H new ATOM 0 HA ILE A 52 -1.287 20.771 -25.995 1.00 45.31 H new ATOM 0 HB ILE A 52 -1.920 23.264 -24.387 1.00 45.41 H new ATOM 0 HG12 ILE A 52 -2.243 21.405 -22.861 1.00 73.32 H new ATOM 0 HG13 ILE A 52 -3.797 22.038 -23.368 1.00 73.32 H new ATOM 0 HG21 ILE A 52 -4.066 23.102 -25.583 1.00 71.24 H new ATOM 0 HG22 ILE A 52 -2.691 23.195 -26.709 1.00 71.24 H new ATOM 0 HG23 ILE A 52 -3.492 21.634 -26.409 1.00 71.24 H new ATOM 0 HD11 ILE A 52 -3.817 19.592 -23.330 1.00 51.14 H new ATOM 0 HD12 ILE A 52 -4.034 20.193 -24.992 1.00 51.14 H new ATOM 0 HD13 ILE A 52 -2.456 19.550 -24.477 1.00 51.14 H new ATOM 784 N SER A 53 -0.215 22.565 -27.394 1.00 55.25 N ATOM 785 CA SER A 53 0.577 23.459 -28.231 1.00 25.34 C ATOM 786 C SER A 53 -0.276 24.064 -29.341 1.00 14.34 C ATOM 787 O SER A 53 -1.071 23.372 -29.975 1.00 51.34 O ATOM 788 CB SER A 53 1.763 22.706 -28.837 1.00 22.20 C ATOM 789 OG SER A 53 2.989 23.336 -28.509 1.00 42.20 O ATOM 0 H SER A 53 -0.859 21.965 -27.910 1.00 55.25 H new ATOM 0 HA SER A 53 0.951 24.268 -27.603 1.00 25.34 H new ATOM 0 HB2 SER A 53 1.770 21.679 -28.473 1.00 22.20 H new ATOM 0 HB3 SER A 53 1.653 22.660 -29.920 1.00 22.20 H new ATOM 0 HG SER A 53 3.731 22.834 -28.907 1.00 42.20 H new ATOM 795 N GLY A 54 -0.105 25.363 -29.569 1.00 14.03 N ATOM 796 CA GLY A 54 -0.866 26.041 -30.602 1.00 14.35 C ATOM 797 C GLY A 54 -1.782 27.111 -30.039 1.00 64.04 C ATOM 798 O GLY A 54 -2.072 28.104 -30.708 1.00 23.52 O ATOM 0 H GLY A 54 0.547 25.957 -29.057 1.00 14.03 H new ATOM 0 HA2 GLY A 54 -0.179 26.494 -31.317 1.00 14.35 H new ATOM 0 HA3 GLY A 54 -1.460 25.310 -31.150 1.00 14.35 H new ATOM 802 N TYR A 55 -2.239 26.909 -28.809 1.00 21.12 N ATOM 803 CA TYR A 55 -3.130 27.862 -28.159 1.00 12.24 C ATOM 804 C TYR A 55 -2.340 29.008 -27.533 1.00 71.41 C ATOM 805 O TYR A 55 -1.368 28.785 -26.811 1.00 61.33 O ATOM 806 CB TYR A 55 -3.967 27.161 -27.088 1.00 34.14 C ATOM 807 CG TYR A 55 -4.170 27.989 -25.839 1.00 12.10 C ATOM 808 CD1 TYR A 55 -3.260 27.936 -24.791 1.00 3.31 C ATOM 809 CD2 TYR A 55 -5.272 28.825 -25.708 1.00 12.31 C ATOM 810 CE1 TYR A 55 -3.442 28.691 -23.648 1.00 64.31 C ATOM 811 CE2 TYR A 55 -5.461 29.584 -24.569 1.00 54.42 C ATOM 812 CZ TYR A 55 -4.544 29.513 -23.542 1.00 3.30 C ATOM 813 OH TYR A 55 -4.728 30.267 -22.406 1.00 3.42 O ATOM 0 H TYR A 55 -2.007 26.094 -28.242 1.00 21.12 H new ATOM 0 HA TYR A 55 -3.794 28.275 -28.918 1.00 12.24 H new ATOM 0 HB2 TYR A 55 -4.940 26.908 -27.508 1.00 34.14 H new ATOM 0 HB3 TYR A 55 -3.483 26.223 -26.817 1.00 34.14 H new ATOM 0 HD1 TYR A 55 -2.395 27.294 -24.871 1.00 3.31 H new ATOM 0 HD2 TYR A 55 -5.993 28.883 -26.510 1.00 12.31 H new ATOM 0 HE1 TYR A 55 -2.725 28.638 -22.842 1.00 64.31 H new ATOM 0 HE2 TYR A 55 -6.323 30.230 -24.484 1.00 54.42 H new ATOM 0 HH TYR A 55 -5.551 30.792 -22.491 1.00 3.42 H new ATOM 823 N ASP A 56 -2.765 30.234 -27.815 1.00 54.12 N ATOM 824 CA ASP A 56 -2.100 31.416 -27.280 1.00 11.12 C ATOM 825 C ASP A 56 -2.616 31.744 -25.882 1.00 23.31 C ATOM 826 O ASP A 56 -3.806 31.993 -25.691 1.00 44.24 O ATOM 827 CB ASP A 56 -2.313 32.612 -28.209 1.00 12.32 C ATOM 828 CG ASP A 56 -1.014 33.306 -28.567 1.00 64.11 C ATOM 829 OD1 ASP A 56 -0.359 32.875 -29.539 1.00 61.55 O ATOM 830 OD2 ASP A 56 -0.652 34.281 -27.876 1.00 24.52 O ATOM 0 H ASP A 56 -3.568 30.436 -28.411 1.00 54.12 H new ATOM 0 HA ASP A 56 -1.033 31.203 -27.213 1.00 11.12 H new ATOM 0 HB2 ASP A 56 -2.805 32.276 -29.122 1.00 12.32 H new ATOM 0 HB3 ASP A 56 -2.983 33.326 -27.730 1.00 12.32 H new ATOM 835 N ALA A 57 -1.712 31.740 -24.907 1.00 71.24 N ATOM 836 CA ALA A 57 -2.075 32.037 -23.528 1.00 14.35 C ATOM 837 C ALA A 57 -2.164 33.542 -23.295 1.00 70.24 C ATOM 838 O ALA A 57 -1.433 34.096 -22.475 1.00 20.21 O ATOM 839 CB ALA A 57 -1.071 31.412 -22.571 1.00 32.12 C ATOM 0 H ALA A 57 -0.723 31.534 -25.048 1.00 71.24 H new ATOM 0 HA ALA A 57 -3.058 31.607 -23.337 1.00 14.35 H new ATOM 0 HB1 ALA A 57 -1.355 31.642 -21.544 1.00 32.12 H new ATOM 0 HB2 ALA A 57 -1.060 30.331 -22.711 1.00 32.12 H new ATOM 0 HB3 ALA A 57 -0.078 31.814 -22.772 1.00 32.12 H new ATOM 845 N GLN A 58 -3.063 34.196 -24.023 1.00 41.34 N ATOM 846 CA GLN A 58 -3.245 35.637 -23.897 1.00 1.53 C ATOM 847 C GLN A 58 -4.345 36.131 -24.831 1.00 3.53 C ATOM 848 O GLN A 58 -5.087 37.057 -24.499 1.00 64.54 O ATOM 849 CB GLN A 58 -1.935 36.367 -24.201 1.00 73.10 C ATOM 850 CG GLN A 58 -1.455 37.255 -23.064 1.00 72.14 C ATOM 851 CD GLN A 58 -2.204 38.571 -22.996 1.00 41.31 C ATOM 852 OE1 GLN A 58 -1.843 39.540 -23.665 1.00 64.35 O ATOM 853 NE2 GLN A 58 -3.254 38.614 -22.185 1.00 31.03 N ATOM 0 H GLN A 58 -3.676 33.751 -24.706 1.00 41.34 H new ATOM 0 HA GLN A 58 -3.542 35.851 -22.870 1.00 1.53 H new ATOM 0 HB2 GLN A 58 -1.163 35.632 -24.427 1.00 73.10 H new ATOM 0 HB3 GLN A 58 -2.067 36.976 -25.095 1.00 73.10 H new ATOM 0 HG2 GLN A 58 -1.573 36.725 -22.119 1.00 72.14 H new ATOM 0 HG3 GLN A 58 -0.390 37.453 -23.187 1.00 72.14 H new ATOM 0 HE21 GLN A 58 -3.518 37.788 -21.649 1.00 31.03 H new ATOM 0 HE22 GLN A 58 -3.796 39.473 -22.098 1.00 31.03 H new ATOM 862 N LYS A 59 -4.445 35.509 -26.000 1.00 45.14 N ATOM 863 CA LYS A 59 -5.454 35.884 -26.983 1.00 70.14 C ATOM 864 C LYS A 59 -6.098 34.647 -27.601 1.00 33.45 C ATOM 865 O LYS A 59 -5.480 33.947 -28.404 1.00 35.22 O ATOM 866 CB LYS A 59 -4.830 36.748 -28.081 1.00 52.43 C ATOM 867 CG LYS A 59 -5.165 38.225 -27.957 1.00 31.31 C ATOM 868 CD LYS A 59 -4.060 39.097 -28.528 1.00 3.25 C ATOM 869 CE LYS A 59 -4.617 40.172 -29.449 1.00 31.52 C ATOM 870 NZ LYS A 59 -3.757 41.387 -29.467 1.00 53.21 N ATOM 0 H LYS A 59 -3.839 34.742 -26.290 1.00 45.14 H new ATOM 0 HA LYS A 59 -6.227 36.458 -26.472 1.00 70.14 H new ATOM 0 HB2 LYS A 59 -3.747 36.626 -28.056 1.00 52.43 H new ATOM 0 HB3 LYS A 59 -5.169 36.387 -29.052 1.00 52.43 H new ATOM 0 HG2 LYS A 59 -6.099 38.432 -28.479 1.00 31.31 H new ATOM 0 HG3 LYS A 59 -5.323 38.476 -26.908 1.00 31.31 H new ATOM 0 HD2 LYS A 59 -3.507 39.565 -27.714 1.00 3.25 H new ATOM 0 HD3 LYS A 59 -3.353 38.476 -29.078 1.00 3.25 H new ATOM 0 HE2 LYS A 59 -4.705 39.774 -30.460 1.00 31.52 H new ATOM 0 HE3 LYS A 59 -5.622 40.443 -29.125 1.00 31.52 H new ATOM 0 HZ1 LYS A 59 -4.171 42.096 -30.106 1.00 53.21 H new ATOM 0 HZ2 LYS A 59 -3.694 41.782 -28.507 1.00 53.21 H new ATOM 0 HZ3 LYS A 59 -2.805 41.134 -29.801 1.00 53.21 H new ATOM 884 N THR A 60 -7.345 34.382 -27.221 1.00 41.43 N ATOM 885 CA THR A 60 -8.073 33.230 -27.738 1.00 2.15 C ATOM 886 C THR A 60 -9.083 33.649 -28.800 1.00 23.31 C ATOM 887 O THR A 60 -9.191 34.827 -29.137 1.00 74.22 O ATOM 888 CB THR A 60 -8.810 32.481 -26.612 1.00 20.15 C ATOM 889 OG1 THR A 60 -9.031 33.359 -25.502 1.00 73.31 O ATOM 890 CG2 THR A 60 -8.011 31.269 -26.155 1.00 15.33 C ATOM 0 H THR A 60 -7.871 34.950 -26.557 1.00 41.43 H new ATOM 0 HA THR A 60 -7.335 32.564 -28.185 1.00 2.15 H new ATOM 0 HB THR A 60 -9.769 32.139 -27.001 1.00 20.15 H new ATOM 0 HG1 THR A 60 -8.789 32.902 -24.670 1.00 73.31 H new ATOM 0 HG21 THR A 60 -8.551 30.756 -25.359 1.00 15.33 H new ATOM 0 HG22 THR A 60 -7.870 30.589 -26.995 1.00 15.33 H new ATOM 0 HG23 THR A 60 -7.039 31.593 -25.783 1.00 15.33 H new ATOM 898 N GLY A 61 -9.821 32.675 -29.324 1.00 53.11 N ATOM 899 CA GLY A 61 -10.814 32.964 -30.343 1.00 23.50 C ATOM 900 C GLY A 61 -10.597 32.157 -31.608 1.00 34.21 C ATOM 901 O GLY A 61 -9.926 32.611 -32.535 1.00 31.15 O ATOM 0 H GLY A 61 -9.749 31.692 -29.062 1.00 53.11 H new ATOM 0 HA2 GLY A 61 -11.808 32.754 -29.948 1.00 23.50 H new ATOM 0 HA3 GLY A 61 -10.785 34.027 -30.584 1.00 23.50 H new ATOM 905 N ARG A 62 -11.166 30.956 -31.647 1.00 3.05 N ATOM 906 CA ARG A 62 -11.029 30.083 -32.806 1.00 50.01 C ATOM 907 C ARG A 62 -9.574 29.670 -33.007 1.00 20.31 C ATOM 908 O ARG A 62 -9.066 29.678 -34.128 1.00 31.12 O ATOM 909 CB ARG A 62 -11.549 30.783 -34.063 1.00 15.44 C ATOM 910 CG ARG A 62 -12.113 29.829 -35.103 1.00 24.11 C ATOM 911 CD ARG A 62 -11.187 29.703 -36.303 1.00 1.32 C ATOM 912 NE ARG A 62 -11.927 29.523 -37.549 1.00 32.44 N ATOM 913 CZ ARG A 62 -12.556 28.399 -37.873 1.00 71.54 C ATOM 914 NH1 ARG A 62 -12.535 27.361 -37.048 1.00 62.12 N ATOM 915 NH2 ARG A 62 -13.209 28.311 -39.025 1.00 64.14 N ATOM 0 H ARG A 62 -11.726 30.566 -30.889 1.00 3.05 H new ATOM 0 HA ARG A 62 -11.622 29.186 -32.626 1.00 50.01 H new ATOM 0 HB2 ARG A 62 -12.323 31.495 -33.778 1.00 15.44 H new ATOM 0 HB3 ARG A 62 -10.738 31.357 -34.511 1.00 15.44 H new ATOM 0 HG2 ARG A 62 -12.264 28.847 -34.654 1.00 24.11 H new ATOM 0 HG3 ARG A 62 -13.090 30.183 -35.431 1.00 24.11 H new ATOM 0 HD2 ARG A 62 -10.565 30.595 -36.376 1.00 1.32 H new ATOM 0 HD3 ARG A 62 -10.515 28.858 -36.155 1.00 1.32 H new ATOM 0 HE ARG A 62 -11.963 30.303 -38.206 1.00 32.44 H new ATOM 0 HH11 ARG A 62 -12.035 27.424 -36.161 1.00 62.12 H new ATOM 0 HH12 ARG A 62 -13.019 26.499 -37.300 1.00 62.12 H new ATOM 0 HH21 ARG A 62 -13.228 29.107 -39.662 1.00 64.14 H new ATOM 0 HH22 ARG A 62 -13.692 27.447 -39.273 1.00 64.14 H new ATOM 929 N GLN A 63 -8.910 29.310 -31.913 1.00 71.32 N ATOM 930 CA GLN A 63 -7.513 28.895 -31.970 1.00 35.42 C ATOM 931 C GLN A 63 -7.397 27.374 -31.967 1.00 60.04 C ATOM 932 O GLN A 63 -8.179 26.681 -31.315 1.00 51.24 O ATOM 933 CB GLN A 63 -6.737 29.479 -30.788 1.00 54.34 C ATOM 934 CG GLN A 63 -7.061 30.939 -30.511 1.00 25.44 C ATOM 935 CD GLN A 63 -6.680 31.850 -31.661 1.00 31.31 C ATOM 936 OE1 GLN A 63 -5.881 31.481 -32.522 1.00 2.00 O ATOM 937 NE2 GLN A 63 -7.252 33.048 -31.682 1.00 33.14 N ATOM 0 H GLN A 63 -9.316 29.297 -30.978 1.00 71.32 H new ATOM 0 HA GLN A 63 -7.085 29.273 -32.899 1.00 35.42 H new ATOM 0 HB2 GLN A 63 -6.953 28.892 -29.896 1.00 54.34 H new ATOM 0 HB3 GLN A 63 -5.669 29.383 -30.982 1.00 54.34 H new ATOM 0 HG2 GLN A 63 -8.128 31.039 -30.312 1.00 25.44 H new ATOM 0 HG3 GLN A 63 -6.537 31.259 -29.610 1.00 25.44 H new ATOM 0 HE21 GLN A 63 -7.909 33.312 -30.948 1.00 33.14 H new ATOM 0 HE22 GLN A 63 -7.035 33.704 -32.432 1.00 33.14 H new ATOM 946 N THR A 64 -6.415 26.859 -32.701 1.00 52.34 N ATOM 947 CA THR A 64 -6.197 25.421 -32.785 1.00 70.23 C ATOM 948 C THR A 64 -5.365 24.921 -31.609 1.00 52.35 C ATOM 949 O THR A 64 -4.439 25.597 -31.159 1.00 14.50 O ATOM 950 CB THR A 64 -5.491 25.035 -34.099 1.00 54.21 C ATOM 951 OG1 THR A 64 -6.333 25.343 -35.216 1.00 12.01 O ATOM 952 CG2 THR A 64 -5.144 23.554 -34.112 1.00 51.34 C ATOM 0 H THR A 64 -5.758 27.417 -33.246 1.00 52.34 H new ATOM 0 HA THR A 64 -7.180 24.951 -32.757 1.00 70.23 H new ATOM 0 HB THR A 64 -4.567 25.609 -34.172 1.00 54.21 H new ATOM 0 HG1 THR A 64 -5.877 25.096 -36.047 1.00 12.01 H new ATOM 0 HG21 THR A 64 -4.646 23.305 -35.049 1.00 51.34 H new ATOM 0 HG22 THR A 64 -4.480 23.329 -33.278 1.00 51.34 H new ATOM 0 HG23 THR A 64 -6.057 22.966 -34.018 1.00 51.34 H new ATOM 960 N LEU A 65 -5.700 23.734 -31.116 1.00 43.04 N ATOM 961 CA LEU A 65 -4.982 23.143 -29.992 1.00 73.21 C ATOM 962 C LEU A 65 -4.628 21.687 -30.277 1.00 73.21 C ATOM 963 O LEU A 65 -5.447 20.927 -30.797 1.00 44.31 O ATOM 964 CB LEU A 65 -5.825 23.235 -28.719 1.00 21.02 C ATOM 965 CG LEU A 65 -5.866 24.604 -28.039 1.00 30.12 C ATOM 966 CD1 LEU A 65 -7.162 25.327 -28.372 1.00 21.31 C ATOM 967 CD2 LEU A 65 -5.708 24.456 -26.533 1.00 4.15 C ATOM 0 H LEU A 65 -6.464 23.162 -31.476 1.00 43.04 H new ATOM 0 HA LEU A 65 -4.057 23.701 -29.849 1.00 73.21 H new ATOM 0 HB2 LEU A 65 -6.846 22.941 -28.961 1.00 21.02 H new ATOM 0 HB3 LEU A 65 -5.445 22.507 -28.002 1.00 21.02 H new ATOM 0 HG LEU A 65 -5.034 25.200 -28.415 1.00 30.12 H new ATOM 0 HD11 LEU A 65 -7.173 26.299 -27.879 1.00 21.31 H new ATOM 0 HD12 LEU A 65 -7.234 25.466 -29.451 1.00 21.31 H new ATOM 0 HD13 LEU A 65 -8.009 24.735 -28.025 1.00 21.31 H new ATOM 0 HD21 LEU A 65 -5.740 25.440 -26.065 1.00 4.15 H new ATOM 0 HD22 LEU A 65 -6.519 23.842 -26.141 1.00 4.15 H new ATOM 0 HD23 LEU A 65 -4.753 23.980 -26.312 1.00 4.15 H new ATOM 979 N THR A 66 -3.404 21.302 -29.931 1.00 44.11 N ATOM 980 CA THR A 66 -2.941 19.937 -30.148 1.00 53.14 C ATOM 981 C THR A 66 -2.264 19.381 -28.901 1.00 72.20 C ATOM 982 O THR A 66 -1.165 19.803 -28.538 1.00 73.21 O ATOM 983 CB THR A 66 -1.957 19.859 -31.331 1.00 34.21 C ATOM 984 OG1 THR A 66 -1.855 21.137 -31.968 1.00 63.03 O ATOM 985 CG2 THR A 66 -2.409 18.817 -32.343 1.00 34.21 C ATOM 0 H THR A 66 -2.715 21.917 -29.499 1.00 44.11 H new ATOM 0 HA THR A 66 -3.822 19.337 -30.377 1.00 53.14 H new ATOM 0 HB THR A 66 -0.981 19.567 -30.944 1.00 34.21 H new ATOM 0 HG1 THR A 66 -1.226 21.080 -32.718 1.00 63.03 H new ATOM 0 HG21 THR A 66 -1.699 18.780 -33.169 1.00 34.21 H new ATOM 0 HG22 THR A 66 -2.458 17.840 -31.862 1.00 34.21 H new ATOM 0 HG23 THR A 66 -3.395 19.083 -32.724 1.00 34.21 H new ATOM 993 N LEU A 67 -2.925 18.431 -28.248 1.00 54.43 N ATOM 994 CA LEU A 67 -2.386 17.816 -27.041 1.00 35.15 C ATOM 995 C LEU A 67 -1.664 16.514 -27.369 1.00 64.41 C ATOM 996 O LEU A 67 -2.203 15.649 -28.060 1.00 34.31 O ATOM 997 CB LEU A 67 -3.509 17.550 -26.036 1.00 4.04 C ATOM 998 CG LEU A 67 -4.302 16.260 -26.242 1.00 35.53 C ATOM 999 CD1 LEU A 67 -3.638 15.102 -25.513 1.00 31.04 C ATOM 1000 CD2 LEU A 67 -5.738 16.436 -25.770 1.00 35.40 C ATOM 0 H LEU A 67 -3.835 18.070 -28.535 1.00 54.43 H new ATOM 0 HA LEU A 67 -1.668 18.507 -26.600 1.00 35.15 H new ATOM 0 HB2 LEU A 67 -3.077 17.531 -25.035 1.00 4.04 H new ATOM 0 HB3 LEU A 67 -4.204 18.389 -26.068 1.00 4.04 H new ATOM 0 HG LEU A 67 -4.316 16.031 -27.308 1.00 35.53 H new ATOM 0 HD11 LEU A 67 -4.217 14.192 -25.671 1.00 31.04 H new ATOM 0 HD12 LEU A 67 -2.628 14.961 -25.898 1.00 31.04 H new ATOM 0 HD13 LEU A 67 -3.592 15.322 -24.446 1.00 31.04 H new ATOM 0 HD21 LEU A 67 -6.288 15.508 -25.924 1.00 35.40 H new ATOM 0 HD22 LEU A 67 -5.744 16.690 -24.710 1.00 35.40 H new ATOM 0 HD23 LEU A 67 -6.212 17.237 -26.337 1.00 35.40 H new ATOM 1012 N HIS A 68 -0.440 16.379 -26.868 1.00 3.31 N ATOM 1013 CA HIS A 68 0.357 15.181 -27.106 1.00 34.41 C ATOM 1014 C HIS A 68 0.790 14.546 -25.788 1.00 33.41 C ATOM 1015 O HIS A 68 1.610 15.104 -25.059 1.00 21.43 O ATOM 1016 CB HIS A 68 1.585 15.518 -27.951 1.00 3.42 C ATOM 1017 CG HIS A 68 2.550 14.381 -28.086 1.00 62.12 C ATOM 1018 ND1 HIS A 68 3.551 14.130 -27.172 1.00 2.24 N ATOM 1019 CD2 HIS A 68 2.662 13.423 -29.036 1.00 41.22 C ATOM 1020 CE1 HIS A 68 4.238 13.069 -27.554 1.00 21.40 C ATOM 1021 NE2 HIS A 68 3.718 12.620 -28.683 1.00 5.35 N ATOM 0 H HIS A 68 0.022 17.085 -26.294 1.00 3.31 H new ATOM 0 HA HIS A 68 -0.261 14.466 -27.648 1.00 34.41 H new ATOM 0 HB2 HIS A 68 1.259 15.827 -28.944 1.00 3.42 H new ATOM 0 HB3 HIS A 68 2.100 16.369 -27.506 1.00 3.42 H new ATOM 0 HD2 HIS A 68 2.037 13.311 -29.909 1.00 41.22 H new ATOM 0 HE1 HIS A 68 5.081 12.641 -27.033 1.00 21.40 H new ATOM 0 HE2 HIS A 68 4.048 11.809 -29.207 1.00 5.35 H new ATOM 1029 N TYR A 69 0.233 13.377 -25.489 1.00 0.33 N ATOM 1030 CA TYR A 69 0.559 12.668 -24.257 1.00 43.31 C ATOM 1031 C TYR A 69 0.642 11.164 -24.500 1.00 14.31 C ATOM 1032 O TYR A 69 -0.254 10.573 -25.102 1.00 65.44 O ATOM 1033 CB TYR A 69 -0.485 12.966 -23.180 1.00 75.14 C ATOM 1034 CG TYR A 69 -1.770 12.187 -23.351 1.00 61.40 C ATOM 1035 CD1 TYR A 69 -2.518 12.290 -24.517 1.00 71.34 C ATOM 1036 CD2 TYR A 69 -2.236 11.348 -22.346 1.00 43.01 C ATOM 1037 CE1 TYR A 69 -3.693 11.580 -24.678 1.00 4.23 C ATOM 1038 CE2 TYR A 69 -3.408 10.634 -22.498 1.00 72.42 C ATOM 1039 CZ TYR A 69 -4.133 10.753 -23.666 1.00 11.15 C ATOM 1040 OH TYR A 69 -5.302 10.044 -23.820 1.00 54.24 O ATOM 0 H TYR A 69 -0.446 12.901 -26.083 1.00 0.33 H new ATOM 0 HA TYR A 69 1.533 13.016 -23.914 1.00 43.31 H new ATOM 0 HB2 TYR A 69 -0.060 12.740 -22.202 1.00 75.14 H new ATOM 0 HB3 TYR A 69 -0.712 14.032 -23.191 1.00 75.14 H new ATOM 0 HD1 TYR A 69 -2.175 12.936 -25.312 1.00 71.34 H new ATOM 0 HD2 TYR A 69 -1.672 11.253 -21.430 1.00 43.01 H new ATOM 0 HE1 TYR A 69 -4.263 11.672 -25.591 1.00 4.23 H new ATOM 0 HE2 TYR A 69 -3.755 9.986 -21.707 1.00 72.42 H new ATOM 0 HH TYR A 69 -5.469 9.509 -23.016 1.00 54.24 H new ATOM 1050 N GLN A 70 1.722 10.553 -24.025 1.00 44.33 N ATOM 1051 CA GLN A 70 1.922 9.118 -24.190 1.00 44.44 C ATOM 1052 C GLN A 70 1.920 8.735 -25.666 1.00 74.34 C ATOM 1053 O GLN A 70 1.660 7.585 -26.019 1.00 24.23 O ATOM 1054 CB GLN A 70 0.834 8.342 -23.447 1.00 63.51 C ATOM 1055 CG GLN A 70 1.348 7.588 -22.231 1.00 12.44 C ATOM 1056 CD GLN A 70 1.027 6.108 -22.283 1.00 31.34 C ATOM 1057 OE1 GLN A 70 0.052 5.694 -22.910 1.00 72.34 O ATOM 1058 NE2 GLN A 70 1.848 5.300 -21.621 1.00 52.23 N ATOM 0 H GLN A 70 2.472 11.029 -23.523 1.00 44.33 H new ATOM 0 HA GLN A 70 2.894 8.860 -23.768 1.00 44.44 H new ATOM 0 HB2 GLN A 70 0.055 9.036 -23.131 1.00 63.51 H new ATOM 0 HB3 GLN A 70 0.371 7.634 -24.134 1.00 63.51 H new ATOM 0 HG2 GLN A 70 2.428 7.719 -22.157 1.00 12.44 H new ATOM 0 HG3 GLN A 70 0.912 8.019 -21.330 1.00 12.44 H new ATOM 0 HE21 GLN A 70 2.645 5.686 -21.114 1.00 52.23 H new ATOM 0 HE22 GLN A 70 1.682 4.294 -21.620 1.00 52.23 H new ATOM 1067 N GLY A 71 2.210 9.707 -26.526 1.00 75.43 N ATOM 1068 CA GLY A 71 2.234 9.450 -27.955 1.00 3.55 C ATOM 1069 C GLY A 71 0.918 9.786 -28.627 1.00 34.34 C ATOM 1070 O GLY A 71 0.874 10.044 -29.830 1.00 24.31 O ATOM 0 H GLY A 71 2.429 10.667 -26.259 1.00 75.43 H new ATOM 0 HA2 GLY A 71 3.032 10.035 -28.413 1.00 3.55 H new ATOM 0 HA3 GLY A 71 2.469 8.400 -28.128 1.00 3.55 H new ATOM 1074 N HIS A 72 -0.160 9.781 -27.849 1.00 33.33 N ATOM 1075 CA HIS A 72 -1.485 10.086 -28.376 1.00 74.45 C ATOM 1076 C HIS A 72 -1.618 11.574 -28.686 1.00 64.43 C ATOM 1077 O HIS A 72 -1.225 12.421 -27.885 1.00 20.32 O ATOM 1078 CB HIS A 72 -2.564 9.663 -27.379 1.00 74.53 C ATOM 1079 CG HIS A 72 -3.602 8.757 -27.968 1.00 20.22 C ATOM 1080 ND1 HIS A 72 -4.436 9.137 -28.998 1.00 63.02 N ATOM 1081 CD2 HIS A 72 -3.937 7.481 -27.666 1.00 33.31 C ATOM 1082 CE1 HIS A 72 -5.240 8.135 -29.303 1.00 71.54 C ATOM 1083 NE2 HIS A 72 -4.958 7.117 -28.510 1.00 2.23 N ATOM 0 H HIS A 72 -0.142 9.569 -26.851 1.00 33.33 H new ATOM 0 HA HIS A 72 -1.617 9.527 -29.302 1.00 74.45 H new ATOM 0 HB2 HIS A 72 -2.091 9.160 -26.536 1.00 74.53 H new ATOM 0 HB3 HIS A 72 -3.053 10.554 -26.985 1.00 74.53 H new ATOM 0 HD2 HIS A 72 -3.486 6.864 -26.903 1.00 33.31 H new ATOM 0 HE1 HIS A 72 -5.999 8.146 -30.071 1.00 71.54 H new ATOM 0 HE2 HIS A 72 -5.422 6.209 -28.522 1.00 2.23 H new ATOM 1091 N GLU A 73 -2.172 11.883 -29.854 1.00 51.22 N ATOM 1092 CA GLU A 73 -2.354 13.269 -30.269 1.00 42.23 C ATOM 1093 C GLU A 73 -3.828 13.574 -30.519 1.00 32.44 C ATOM 1094 O GLU A 73 -4.538 12.788 -31.147 1.00 53.50 O ATOM 1095 CB GLU A 73 -1.542 13.557 -31.534 1.00 25.23 C ATOM 1096 CG GLU A 73 -1.095 15.004 -31.654 1.00 2.10 C ATOM 1097 CD GLU A 73 0.337 15.135 -32.136 1.00 71.55 C ATOM 1098 OE1 GLU A 73 0.663 14.554 -33.193 1.00 13.21 O ATOM 1099 OE2 GLU A 73 1.131 15.818 -31.457 1.00 23.21 O ATOM 0 H GLU A 73 -2.502 11.193 -30.529 1.00 51.22 H new ATOM 0 HA GLU A 73 -1.999 13.911 -29.463 1.00 42.23 H new ATOM 0 HB2 GLU A 73 -0.663 12.912 -31.546 1.00 25.23 H new ATOM 0 HB3 GLU A 73 -2.141 13.297 -32.407 1.00 25.23 H new ATOM 0 HG2 GLU A 73 -1.756 15.528 -32.344 1.00 2.10 H new ATOM 0 HG3 GLU A 73 -1.194 15.492 -30.685 1.00 2.10 H new ATOM 1106 N VAL A 74 -4.282 14.719 -30.021 1.00 13.45 N ATOM 1107 CA VAL A 74 -5.671 15.129 -30.189 1.00 14.11 C ATOM 1108 C VAL A 74 -5.766 16.594 -30.600 1.00 14.12 C ATOM 1109 O VAL A 74 -5.069 17.449 -30.054 1.00 11.11 O ATOM 1110 CB VAL A 74 -6.480 14.917 -28.895 1.00 61.32 C ATOM 1111 CG1 VAL A 74 -7.965 15.117 -29.155 1.00 33.23 C ATOM 1112 CG2 VAL A 74 -6.212 13.534 -28.321 1.00 71.31 C ATOM 0 H VAL A 74 -3.708 15.380 -29.497 1.00 13.45 H new ATOM 0 HA VAL A 74 -6.091 14.505 -30.978 1.00 14.11 H new ATOM 0 HB VAL A 74 -6.161 15.658 -28.162 1.00 61.32 H new ATOM 0 HG11 VAL A 74 -8.520 14.963 -28.230 1.00 33.23 H new ATOM 0 HG12 VAL A 74 -8.138 16.130 -29.518 1.00 33.23 H new ATOM 0 HG13 VAL A 74 -8.303 14.401 -29.904 1.00 33.23 H new ATOM 0 HG21 VAL A 74 -6.791 13.401 -27.407 1.00 71.31 H new ATOM 0 HG22 VAL A 74 -6.502 12.776 -29.048 1.00 71.31 H new ATOM 0 HG23 VAL A 74 -5.150 13.433 -28.096 1.00 71.31 H new ATOM 1122 N SER A 75 -6.635 16.877 -31.566 1.00 4.03 N ATOM 1123 CA SER A 75 -6.819 18.239 -32.053 1.00 30.01 C ATOM 1124 C SER A 75 -8.194 18.773 -31.665 1.00 14.23 C ATOM 1125 O SER A 75 -9.191 18.052 -31.717 1.00 62.11 O ATOM 1126 CB SER A 75 -6.651 18.287 -33.573 1.00 32.42 C ATOM 1127 OG SER A 75 -6.744 19.616 -34.055 1.00 34.12 O ATOM 0 H SER A 75 -7.222 16.181 -32.026 1.00 4.03 H new ATOM 0 HA SER A 75 -6.060 18.870 -31.591 1.00 30.01 H new ATOM 0 HB2 SER A 75 -5.685 17.864 -33.849 1.00 32.42 H new ATOM 0 HB3 SER A 75 -7.416 17.671 -34.046 1.00 32.42 H new ATOM 0 HG SER A 75 -6.632 19.620 -35.029 1.00 34.12 H new ATOM 1133 N PHE A 76 -8.241 20.043 -31.275 1.00 25.21 N ATOM 1134 CA PHE A 76 -9.493 20.675 -30.876 1.00 43.24 C ATOM 1135 C PHE A 76 -9.382 22.195 -30.951 1.00 52.21 C ATOM 1136 O PHE A 76 -8.315 22.763 -30.719 1.00 23.11 O ATOM 1137 CB PHE A 76 -9.875 20.249 -29.457 1.00 44.43 C ATOM 1138 CG PHE A 76 -8.764 20.421 -28.461 1.00 13.25 C ATOM 1139 CD1 PHE A 76 -7.747 19.485 -28.369 1.00 2.32 C ATOM 1140 CD2 PHE A 76 -8.738 21.519 -27.615 1.00 33.41 C ATOM 1141 CE1 PHE A 76 -6.723 19.641 -27.453 1.00 32.51 C ATOM 1142 CE2 PHE A 76 -7.717 21.679 -26.697 1.00 52.45 C ATOM 1143 CZ PHE A 76 -6.709 20.739 -26.615 1.00 72.35 C ATOM 0 H PHE A 76 -7.426 20.655 -31.227 1.00 25.21 H new ATOM 0 HA PHE A 76 -10.271 20.350 -31.566 1.00 43.24 H new ATOM 0 HB2 PHE A 76 -10.738 20.830 -29.131 1.00 44.43 H new ATOM 0 HB3 PHE A 76 -10.182 19.203 -29.470 1.00 44.43 H new ATOM 0 HD1 PHE A 76 -7.754 18.623 -29.020 1.00 2.32 H new ATOM 0 HD2 PHE A 76 -9.524 22.257 -27.674 1.00 33.41 H new ATOM 0 HE1 PHE A 76 -5.935 18.905 -27.393 1.00 32.51 H new ATOM 0 HE2 PHE A 76 -7.708 22.539 -26.044 1.00 52.45 H new ATOM 0 HZ PHE A 76 -5.911 20.862 -25.897 1.00 72.35 H new ATOM 1153 N ASP A 77 -10.493 22.848 -31.277 1.00 65.40 N ATOM 1154 CA ASP A 77 -10.522 24.302 -31.382 1.00 61.22 C ATOM 1155 C ASP A 77 -11.065 24.928 -30.102 1.00 10.42 C ATOM 1156 O ASP A 77 -11.877 24.326 -29.399 1.00 63.11 O ATOM 1157 CB ASP A 77 -11.376 24.731 -32.577 1.00 24.14 C ATOM 1158 CG ASP A 77 -12.823 24.304 -32.437 1.00 34.43 C ATOM 1159 OD1 ASP A 77 -13.109 23.104 -32.634 1.00 13.21 O ATOM 1160 OD2 ASP A 77 -13.671 25.169 -32.131 1.00 22.31 O ATOM 0 H ASP A 77 -11.385 22.393 -31.473 1.00 65.40 H new ATOM 0 HA ASP A 77 -9.500 24.652 -31.531 1.00 61.22 H new ATOM 0 HB2 ASP A 77 -11.329 25.815 -32.683 1.00 24.14 H new ATOM 0 HB3 ASP A 77 -10.960 24.303 -33.489 1.00 24.14 H new ATOM 1165 N VAL A 78 -10.611 26.142 -29.804 1.00 23.43 N ATOM 1166 CA VAL A 78 -11.051 26.850 -28.608 1.00 2.22 C ATOM 1167 C VAL A 78 -11.739 28.162 -28.968 1.00 43.13 C ATOM 1168 O VAL A 78 -11.297 28.882 -29.865 1.00 60.43 O ATOM 1169 CB VAL A 78 -9.870 27.145 -27.664 1.00 30.13 C ATOM 1170 CG1 VAL A 78 -8.842 28.029 -28.354 1.00 33.14 C ATOM 1171 CG2 VAL A 78 -10.365 27.791 -26.379 1.00 4.44 C ATOM 0 H VAL A 78 -9.939 26.655 -30.375 1.00 23.43 H new ATOM 0 HA VAL A 78 -11.761 26.199 -28.098 1.00 2.22 H new ATOM 0 HB VAL A 78 -9.388 26.202 -27.407 1.00 30.13 H new ATOM 0 HG11 VAL A 78 -8.015 28.227 -27.672 1.00 33.14 H new ATOM 0 HG12 VAL A 78 -8.466 27.523 -29.243 1.00 33.14 H new ATOM 0 HG13 VAL A 78 -9.308 28.971 -28.642 1.00 33.14 H new ATOM 0 HG21 VAL A 78 -9.518 27.993 -25.723 1.00 4.44 H new ATOM 0 HG22 VAL A 78 -10.873 28.726 -26.614 1.00 4.44 H new ATOM 0 HG23 VAL A 78 -11.060 27.117 -25.877 1.00 4.44 H new ATOM 1181 N LEU A 79 -12.822 28.468 -28.264 1.00 14.33 N ATOM 1182 CA LEU A 79 -13.573 29.695 -28.509 1.00 3.34 C ATOM 1183 C LEU A 79 -13.764 30.484 -27.217 1.00 23.32 C ATOM 1184 O LEU A 79 -14.380 30.000 -26.267 1.00 54.14 O ATOM 1185 CB LEU A 79 -14.933 29.370 -29.127 1.00 35.53 C ATOM 1186 CG LEU A 79 -14.945 29.134 -30.637 1.00 73.24 C ATOM 1187 CD1 LEU A 79 -16.269 28.524 -31.072 1.00 40.01 C ATOM 1188 CD2 LEU A 79 -14.685 30.435 -31.382 1.00 53.13 C ATOM 0 H LEU A 79 -13.201 27.884 -27.519 1.00 14.33 H new ATOM 0 HA LEU A 79 -13.002 30.308 -29.206 1.00 3.34 H new ATOM 0 HB2 LEU A 79 -15.329 28.480 -28.637 1.00 35.53 H new ATOM 0 HB3 LEU A 79 -15.617 30.188 -28.902 1.00 35.53 H new ATOM 0 HG LEU A 79 -14.148 28.432 -30.882 1.00 73.24 H new ATOM 0 HD11 LEU A 79 -16.259 28.363 -32.150 1.00 40.01 H new ATOM 0 HD12 LEU A 79 -16.415 27.571 -30.564 1.00 40.01 H new ATOM 0 HD13 LEU A 79 -17.084 29.201 -30.814 1.00 40.01 H new ATOM 0 HD21 LEU A 79 -14.697 30.248 -32.456 1.00 53.13 H new ATOM 0 HD22 LEU A 79 -15.460 31.159 -31.131 1.00 53.13 H new ATOM 0 HD23 LEU A 79 -13.711 30.831 -31.094 1.00 53.13 H new ATOM 1200 N VAL A 80 -13.232 31.702 -27.189 1.00 33.21 N ATOM 1201 CA VAL A 80 -13.347 32.559 -26.015 1.00 40.22 C ATOM 1202 C VAL A 80 -14.414 33.629 -26.218 1.00 74.41 C ATOM 1203 O VAL A 80 -14.493 34.249 -27.279 1.00 20.44 O ATOM 1204 CB VAL A 80 -12.007 33.243 -25.687 1.00 4.13 C ATOM 1205 CG1 VAL A 80 -11.566 34.135 -26.837 1.00 52.51 C ATOM 1206 CG2 VAL A 80 -12.118 34.040 -24.396 1.00 21.25 C ATOM 0 H VAL A 80 -12.717 32.117 -27.966 1.00 33.21 H new ATOM 0 HA VAL A 80 -13.633 31.918 -25.182 1.00 40.22 H new ATOM 0 HB VAL A 80 -11.250 32.471 -25.547 1.00 4.13 H new ATOM 0 HG11 VAL A 80 -10.617 34.610 -26.586 1.00 52.51 H new ATOM 0 HG12 VAL A 80 -11.444 33.534 -27.738 1.00 52.51 H new ATOM 0 HG13 VAL A 80 -12.320 34.902 -27.012 1.00 52.51 H new ATOM 0 HG21 VAL A 80 -11.162 34.517 -24.179 1.00 21.25 H new ATOM 0 HG22 VAL A 80 -12.888 34.804 -24.505 1.00 21.25 H new ATOM 0 HG23 VAL A 80 -12.384 33.371 -23.577 1.00 21.25 H new ATOM 1216 N SER A 81 -15.235 33.840 -25.194 1.00 24.03 N ATOM 1217 CA SER A 81 -16.301 34.833 -25.260 1.00 64.23 C ATOM 1218 C SER A 81 -15.910 36.101 -24.507 1.00 62.31 C ATOM 1219 O SER A 81 -15.002 36.104 -23.675 1.00 54.50 O ATOM 1220 CB SER A 81 -17.596 34.261 -24.681 1.00 60.32 C ATOM 1221 OG SER A 81 -18.585 34.120 -25.686 1.00 71.50 O ATOM 0 H SER A 81 -15.182 33.336 -24.309 1.00 24.03 H new ATOM 0 HA SER A 81 -16.462 35.089 -26.307 1.00 64.23 H new ATOM 0 HB2 SER A 81 -17.397 33.292 -24.224 1.00 60.32 H new ATOM 0 HB3 SER A 81 -17.966 34.916 -23.892 1.00 60.32 H new ATOM 0 HG SER A 81 -19.402 33.751 -25.291 1.00 71.50 H new ATOM 1227 N PRO A 82 -16.611 37.205 -24.805 1.00 30.30 N ATOM 1228 CA PRO A 82 -16.357 38.500 -24.168 1.00 23.04 C ATOM 1229 C PRO A 82 -16.770 38.515 -22.700 1.00 31.11 C ATOM 1230 O PRO A 82 -16.408 39.423 -21.951 1.00 72.12 O ATOM 1231 CB PRO A 82 -17.222 39.469 -24.977 1.00 10.43 C ATOM 1232 CG PRO A 82 -18.315 38.625 -25.536 1.00 43.41 C ATOM 1233 CD PRO A 82 -17.707 37.273 -25.787 1.00 5.24 C ATOM 0 HA PRO A 82 -15.297 38.753 -24.167 1.00 23.04 H new ATOM 0 HB2 PRO A 82 -17.619 40.265 -24.347 1.00 10.43 H new ATOM 0 HB3 PRO A 82 -16.646 39.947 -25.770 1.00 10.43 H new ATOM 0 HG2 PRO A 82 -19.149 38.554 -24.838 1.00 43.41 H new ATOM 0 HG3 PRO A 82 -18.707 39.054 -26.458 1.00 43.41 H new ATOM 0 HD2 PRO A 82 -18.431 36.472 -25.637 1.00 5.24 H new ATOM 0 HD3 PRO A 82 -17.338 37.182 -26.808 1.00 5.24 H new ATOM 1241 N LYS A 83 -17.530 37.503 -22.294 1.00 1.43 N ATOM 1242 CA LYS A 83 -17.992 37.398 -20.915 1.00 3.43 C ATOM 1243 C LYS A 83 -18.860 36.159 -20.724 1.00 64.54 C ATOM 1244 O LYS A 83 -18.999 35.341 -21.634 1.00 4.31 O ATOM 1245 CB LYS A 83 -18.779 38.650 -20.522 1.00 54.42 C ATOM 1246 CG LYS A 83 -18.154 39.428 -19.377 1.00 34.02 C ATOM 1247 CD LYS A 83 -19.189 40.261 -18.639 1.00 4.51 C ATOM 1248 CE LYS A 83 -19.415 41.601 -19.322 1.00 53.32 C ATOM 1249 NZ LYS A 83 -20.860 41.957 -19.380 1.00 11.22 N ATOM 0 H LYS A 83 -17.839 36.744 -22.901 1.00 1.43 H new ATOM 0 HA LYS A 83 -17.117 37.309 -20.272 1.00 3.43 H new ATOM 0 HB2 LYS A 83 -18.863 39.303 -21.390 1.00 54.42 H new ATOM 0 HB3 LYS A 83 -19.792 38.359 -20.242 1.00 54.42 H new ATOM 0 HG2 LYS A 83 -17.680 38.736 -18.682 1.00 34.02 H new ATOM 0 HG3 LYS A 83 -17.370 40.079 -19.763 1.00 34.02 H new ATOM 0 HD2 LYS A 83 -20.130 39.713 -18.589 1.00 4.51 H new ATOM 0 HD3 LYS A 83 -18.861 40.425 -17.613 1.00 4.51 H new ATOM 0 HE2 LYS A 83 -18.871 42.378 -18.786 1.00 53.32 H new ATOM 0 HE3 LYS A 83 -19.009 41.567 -20.333 1.00 53.32 H new ATOM 0 HZ1 LYS A 83 -20.972 42.877 -19.853 1.00 11.22 H new ATOM 0 HZ2 LYS A 83 -21.376 41.228 -19.913 1.00 11.22 H new ATOM 0 HZ3 LYS A 83 -21.242 42.015 -18.415 1.00 11.22 H new ATOM 1263 N ALA A 84 -19.442 36.026 -19.537 1.00 52.14 N ATOM 1264 CA ALA A 84 -20.299 34.888 -19.230 1.00 33.12 C ATOM 1265 C ALA A 84 -20.870 34.995 -17.820 1.00 3.43 C ATOM 1266 O ALA A 84 -20.568 35.938 -17.088 1.00 24.50 O ATOM 1267 CB ALA A 84 -19.527 33.587 -19.391 1.00 60.10 C ATOM 0 H ALA A 84 -19.336 36.692 -18.772 1.00 52.14 H new ATOM 0 HA ALA A 84 -21.132 34.893 -19.933 1.00 33.12 H new ATOM 0 HB1 ALA A 84 -20.180 32.746 -19.158 1.00 60.10 H new ATOM 0 HB2 ALA A 84 -19.173 33.499 -20.418 1.00 60.10 H new ATOM 0 HB3 ALA A 84 -18.674 33.583 -18.712 1.00 60.10 H new ATOM 1273 N ALA A 85 -21.697 34.025 -17.445 1.00 64.33 N ATOM 1274 CA ALA A 85 -22.308 34.010 -16.122 1.00 52.12 C ATOM 1275 C ALA A 85 -23.014 35.330 -15.829 1.00 24.20 C ATOM 1276 O ALA A 85 -23.181 36.167 -16.717 1.00 20.11 O ATOM 1277 CB ALA A 85 -21.259 33.723 -15.059 1.00 24.32 C ATOM 0 H ALA A 85 -21.959 33.239 -18.039 1.00 64.33 H new ATOM 0 HA ALA A 85 -23.055 33.216 -16.103 1.00 52.12 H new ATOM 0 HB1 ALA A 85 -21.730 33.715 -14.076 1.00 24.32 H new ATOM 0 HB2 ALA A 85 -20.803 32.752 -15.251 1.00 24.32 H new ATOM 0 HB3 ALA A 85 -20.491 34.496 -15.087 1.00 24.32 H new ATOM 1283 N LEU A 86 -23.426 35.510 -14.579 1.00 72.41 N ATOM 1284 CA LEU A 86 -24.115 36.728 -14.169 1.00 1.34 C ATOM 1285 C LEU A 86 -25.442 36.879 -14.906 1.00 65.11 C ATOM 1286 O LEU A 86 -25.879 37.992 -15.196 1.00 63.54 O ATOM 1287 CB LEU A 86 -23.232 37.950 -14.430 1.00 24.51 C ATOM 1288 CG LEU A 86 -23.125 38.958 -13.285 1.00 41.05 C ATOM 1289 CD1 LEU A 86 -22.223 38.422 -12.184 1.00 53.22 C ATOM 1290 CD2 LEU A 86 -22.607 40.294 -13.798 1.00 72.14 C ATOM 0 H LEU A 86 -23.295 34.828 -13.832 1.00 72.41 H new ATOM 0 HA LEU A 86 -24.320 36.657 -13.101 1.00 1.34 H new ATOM 0 HB2 LEU A 86 -22.229 37.602 -14.676 1.00 24.51 H new ATOM 0 HB3 LEU A 86 -23.614 38.468 -15.309 1.00 24.51 H new ATOM 0 HG LEU A 86 -24.120 39.112 -12.868 1.00 41.05 H new ATOM 0 HD11 LEU A 86 -22.159 39.153 -11.378 1.00 53.22 H new ATOM 0 HD12 LEU A 86 -22.636 37.490 -11.797 1.00 53.22 H new ATOM 0 HD13 LEU A 86 -21.227 38.238 -12.587 1.00 53.22 H new ATOM 0 HD21 LEU A 86 -22.537 40.999 -12.970 1.00 72.14 H new ATOM 0 HD22 LEU A 86 -21.621 40.156 -14.241 1.00 72.14 H new ATOM 0 HD23 LEU A 86 -23.292 40.685 -14.551 1.00 72.14 H new ATOM 1302 N ASN A 87 -26.078 35.751 -15.204 1.00 72.05 N ATOM 1303 CA ASN A 87 -27.356 35.758 -15.907 1.00 33.53 C ATOM 1304 C ASN A 87 -28.288 34.686 -15.350 1.00 74.51 C ATOM 1305 O ASN A 87 -27.926 33.511 -15.276 1.00 54.14 O ATOM 1306 CB ASN A 87 -27.140 35.533 -17.405 1.00 10.43 C ATOM 1307 CG ASN A 87 -28.435 35.594 -18.191 1.00 51.13 C ATOM 1308 OD1 ASN A 87 -29.320 36.396 -17.891 1.00 43.02 O ATOM 1309 ND2 ASN A 87 -28.552 34.744 -19.204 1.00 72.45 N ATOM 0 H ASN A 87 -25.730 34.821 -14.970 1.00 72.05 H new ATOM 0 HA ASN A 87 -27.820 36.733 -15.756 1.00 33.53 H new ATOM 0 HB2 ASN A 87 -26.450 36.286 -17.787 1.00 10.43 H new ATOM 0 HB3 ASN A 87 -26.670 34.562 -17.560 1.00 10.43 H new ATOM 0 HD21 ASN A 87 -29.401 34.738 -19.770 1.00 72.45 H new ATOM 0 HD22 ASN A 87 -27.793 34.097 -19.417 1.00 72.45 H new ATOM 1316 N ASP A 88 -29.489 35.098 -14.960 1.00 54.14 N ATOM 1317 CA ASP A 88 -30.475 34.173 -14.412 1.00 42.40 C ATOM 1318 C ASP A 88 -30.715 33.007 -15.365 1.00 64.31 C ATOM 1319 O ASP A 88 -30.211 32.997 -16.488 1.00 14.31 O ATOM 1320 CB ASP A 88 -31.791 34.902 -14.136 1.00 71.24 C ATOM 1321 CG ASP A 88 -31.598 36.150 -13.298 1.00 44.11 C ATOM 1322 OD1 ASP A 88 -30.855 36.082 -12.297 1.00 2.43 O ATOM 1323 OD2 ASP A 88 -32.190 37.194 -13.643 1.00 4.52 O ATOM 0 H ASP A 88 -29.804 36.067 -15.013 1.00 54.14 H new ATOM 0 HA ASP A 88 -30.084 33.777 -13.475 1.00 42.40 H new ATOM 0 HB2 ASP A 88 -32.258 35.173 -15.083 1.00 71.24 H new ATOM 0 HB3 ASP A 88 -32.476 34.227 -13.624 1.00 71.24 H new ATOM 1328 N GLU A 89 -31.485 32.025 -14.908 1.00 73.42 N ATOM 1329 CA GLU A 89 -31.789 30.852 -15.720 1.00 55.43 C ATOM 1330 C GLU A 89 -30.509 30.180 -16.207 1.00 3.24 C ATOM 1331 O GLU A 89 -29.720 29.674 -15.409 1.00 15.13 O ATOM 1332 CB GLU A 89 -32.658 31.245 -16.917 1.00 75.10 C ATOM 1333 CG GLU A 89 -34.026 31.779 -16.527 1.00 35.23 C ATOM 1334 CD GLU A 89 -35.090 30.698 -16.504 1.00 62.01 C ATOM 1335 OE1 GLU A 89 -35.549 30.294 -17.593 1.00 13.14 O ATOM 1336 OE2 GLU A 89 -35.462 30.256 -15.397 1.00 20.11 O ATOM 0 H GLU A 89 -31.910 32.018 -13.981 1.00 73.42 H new ATOM 0 HA GLU A 89 -32.337 30.144 -15.098 1.00 55.43 H new ATOM 0 HB2 GLU A 89 -32.135 32.002 -17.502 1.00 75.10 H new ATOM 0 HB3 GLU A 89 -32.787 30.376 -17.562 1.00 75.10 H new ATOM 0 HG2 GLU A 89 -33.964 32.243 -15.543 1.00 35.23 H new ATOM 0 HG3 GLU A 89 -34.321 32.559 -17.229 1.00 35.23 H new TER 1343 GLU A 89