USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 842 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 92 LYS NZ :NH3+ -177:sc= 2.25 (180deg=1.2) USER MOD Set 1.2: A 105 THR OG1 : rot -83:sc= 1.74 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 168:sc= 1.29 (180deg=0) USER MOD Set 2.2: A 49 HIS : no HE2:sc= 1.1 K(o=2.4,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.4 (180deg=0.897) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -162:sc= -0.927 (180deg=-1.96) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.717 K(o=0.72,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -59:sc= 0.916 USER MOD Single : A 22 THR OG1 : rot 126:sc= 1.11 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.223 X(o=0.22,f=-0.12) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.11) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc=-0.00331 (180deg=-0.099) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0255) USER MOD Single : A 56 SER OG : rot -72:sc= 0.302 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0498) USER MOD Single : A 72 SER OG : rot 66:sc= -0.372 USER MOD Single : A 79 SER OG : rot -160:sc= 0.0347 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -174:sc= 0 (180deg=-0.0225) USER MOD Single : A 87 MET CE :methyl 159:sc= 0 (180deg=-0.283) USER MOD Single : A 97 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.39) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -11:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.096 -1.828 16.235 1.00 4.29 N ATOM 2 CA MET A 1 5.852 -2.954 15.306 1.00 3.03 C ATOM 3 C MET A 1 7.133 -3.297 14.556 1.00 2.45 C ATOM 4 O MET A 1 7.793 -4.230 14.983 1.00 3.49 O ATOM 5 CB MET A 1 4.651 -2.724 14.369 1.00 2.44 C ATOM 6 CG MET A 1 3.314 -2.757 15.123 1.00 3.00 C ATOM 7 SD MET A 1 3.018 -1.344 16.222 1.00 3.90 S ATOM 8 CE MET A 1 1.530 -1.920 17.083 1.00 5.45 C ATOM 0 H1 MET A 1 5.192 -1.370 16.470 1.00 4.29 H new ATOM 0 H2 MET A 1 6.540 -2.186 17.105 1.00 4.29 H new ATOM 0 H3 MET A 1 6.727 -1.136 15.783 1.00 4.29 H new ATOM 0 HA MET A 1 5.566 -3.820 15.904 1.00 3.03 H new ATOM 0 HB2 MET A 1 4.761 -1.762 13.869 1.00 2.44 H new ATOM 0 HB3 MET A 1 4.647 -3.488 13.592 1.00 2.44 H new ATOM 0 HG2 MET A 1 2.505 -2.807 14.395 1.00 3.00 H new ATOM 0 HG3 MET A 1 3.269 -3.672 15.713 1.00 3.00 H new ATOM 0 HE1 MET A 1 1.210 -1.165 17.802 1.00 5.45 H new ATOM 0 HE2 MET A 1 0.734 -2.092 16.359 1.00 5.45 H new ATOM 0 HE3 MET A 1 1.750 -2.850 17.607 1.00 5.45 H new ATOM 20 N SER A 2 7.491 -2.533 13.511 1.00 1.65 N ATOM 21 CA SER A 2 8.646 -2.723 12.612 1.00 1.73 C ATOM 22 C SER A 2 8.287 -3.662 11.459 1.00 1.32 C ATOM 23 O SER A 2 8.357 -4.887 11.577 1.00 1.27 O ATOM 24 CB SER A 2 9.930 -3.186 13.317 1.00 2.92 C ATOM 25 OG SER A 2 11.005 -3.064 12.408 1.00 4.21 O ATOM 0 H SER A 2 6.946 -1.710 13.253 1.00 1.65 H new ATOM 0 HA SER A 2 8.874 -1.733 12.217 1.00 1.73 H new ATOM 0 HB2 SER A 2 10.114 -2.582 14.206 1.00 2.92 H new ATOM 0 HB3 SER A 2 9.829 -4.219 13.649 1.00 2.92 H new ATOM 0 HG SER A 2 11.835 -3.354 12.842 1.00 4.21 H new ATOM 31 N MET A 3 7.877 -3.077 10.326 1.00 1.24 N ATOM 32 CA MET A 3 7.432 -3.837 9.156 1.00 1.32 C ATOM 33 C MET A 3 8.519 -4.763 8.584 1.00 1.46 C ATOM 34 O MET A 3 8.198 -5.806 8.023 1.00 2.98 O ATOM 35 CB MET A 3 6.903 -2.876 8.081 1.00 1.29 C ATOM 36 CG MET A 3 5.729 -3.497 7.324 1.00 1.84 C ATOM 37 SD MET A 3 4.133 -3.327 8.171 1.00 2.71 S ATOM 38 CE MET A 3 3.878 -4.982 8.863 1.00 3.89 C ATOM 0 H MET A 3 7.845 -2.066 10.197 1.00 1.24 H new ATOM 0 HA MET A 3 6.627 -4.493 9.486 1.00 1.32 H new ATOM 0 HB2 MET A 3 6.588 -1.942 8.546 1.00 1.29 H new ATOM 0 HB3 MET A 3 7.702 -2.630 7.382 1.00 1.29 H new ATOM 0 HG2 MET A 3 5.658 -3.033 6.340 1.00 1.84 H new ATOM 0 HG3 MET A 3 5.933 -4.556 7.163 1.00 1.84 H new ATOM 0 HE1 MET A 3 2.827 -5.111 9.121 1.00 3.89 H new ATOM 0 HE2 MET A 3 4.166 -5.733 8.127 1.00 3.89 H new ATOM 0 HE3 MET A 3 4.488 -5.100 9.759 1.00 3.89 H new ATOM 48 N THR A 4 9.792 -4.419 8.798 1.00 0.74 N ATOM 49 CA THR A 4 10.976 -5.249 8.551 1.00 0.47 C ATOM 50 C THR A 4 10.894 -6.615 9.232 1.00 0.53 C ATOM 51 O THR A 4 11.189 -7.617 8.588 1.00 0.75 O ATOM 52 CB THR A 4 12.213 -4.488 9.051 1.00 0.70 C ATOM 53 OG1 THR A 4 12.463 -3.423 8.167 1.00 0.79 O ATOM 54 CG2 THR A 4 13.479 -5.337 9.151 1.00 1.03 C ATOM 0 H THR A 4 10.039 -3.502 9.169 1.00 0.74 H new ATOM 0 HA THR A 4 11.039 -5.440 7.480 1.00 0.47 H new ATOM 0 HB THR A 4 11.984 -4.153 10.063 1.00 0.70 H new ATOM 0 HG1 THR A 4 13.249 -2.923 8.471 1.00 0.79 H new ATOM 0 HG21 THR A 4 14.303 -4.721 9.512 1.00 1.03 H new ATOM 0 HG22 THR A 4 13.311 -6.161 9.845 1.00 1.03 H new ATOM 0 HG23 THR A 4 13.728 -5.736 8.168 1.00 1.03 H new ATOM 62 N ASP A 5 10.537 -6.646 10.523 1.00 0.60 N ATOM 63 CA ASP A 5 10.506 -7.866 11.335 1.00 0.66 C ATOM 64 C ASP A 5 9.272 -8.721 11.013 1.00 0.63 C ATOM 65 O ASP A 5 9.348 -9.947 10.978 1.00 0.84 O ATOM 66 CB ASP A 5 10.526 -7.454 12.815 1.00 0.79 C ATOM 67 CG ASP A 5 10.780 -8.639 13.748 1.00 1.15 C ATOM 68 OD1 ASP A 5 11.918 -9.156 13.701 1.00 2.24 O ATOM 69 OD2 ASP A 5 9.854 -8.977 14.516 1.00 2.29 O ATOM 0 H ASP A 5 10.258 -5.811 11.038 1.00 0.60 H new ATOM 0 HA ASP A 5 11.377 -8.481 11.109 1.00 0.66 H new ATOM 0 HB2 ASP A 5 11.300 -6.702 12.969 1.00 0.79 H new ATOM 0 HB3 ASP A 5 9.574 -6.990 13.073 1.00 0.79 H new ATOM 74 N LEU A 6 8.142 -8.058 10.737 1.00 0.55 N ATOM 75 CA LEU A 6 6.886 -8.690 10.344 1.00 0.60 C ATOM 76 C LEU A 6 6.929 -9.243 8.908 1.00 0.50 C ATOM 77 O LEU A 6 6.669 -10.429 8.724 1.00 0.57 O ATOM 78 CB LEU A 6 5.745 -7.682 10.559 1.00 0.74 C ATOM 79 CG LEU A 6 5.367 -7.493 12.045 1.00 1.04 C ATOM 80 CD1 LEU A 6 4.457 -6.273 12.212 1.00 1.80 C ATOM 81 CD2 LEU A 6 4.625 -8.703 12.627 1.00 1.95 C ATOM 0 H LEU A 6 8.079 -7.041 10.783 1.00 0.55 H new ATOM 0 HA LEU A 6 6.711 -9.564 10.972 1.00 0.60 H new ATOM 0 HB2 LEU A 6 6.037 -6.719 10.140 1.00 0.74 H new ATOM 0 HB3 LEU A 6 4.866 -8.016 10.008 1.00 0.74 H new ATOM 0 HG LEU A 6 6.308 -7.364 12.580 1.00 1.04 H new ATOM 0 HD11 LEU A 6 4.199 -6.153 13.264 1.00 1.80 H new ATOM 0 HD12 LEU A 6 4.976 -5.381 11.861 1.00 1.80 H new ATOM 0 HD13 LEU A 6 3.547 -6.416 11.629 1.00 1.80 H new ATOM 0 HD21 LEU A 6 4.385 -8.514 13.673 1.00 1.95 H new ATOM 0 HD22 LEU A 6 3.704 -8.869 12.068 1.00 1.95 H new ATOM 0 HD23 LEU A 6 5.258 -9.587 12.554 1.00 1.95 H new ATOM 93 N LEU A 7 7.258 -8.431 7.893 1.00 0.48 N ATOM 94 CA LEU A 7 7.262 -8.854 6.485 1.00 0.45 C ATOM 95 C LEU A 7 8.580 -9.489 6.031 1.00 0.58 C ATOM 96 O LEU A 7 8.550 -10.667 5.682 1.00 1.39 O ATOM 97 CB LEU A 7 6.840 -7.699 5.556 1.00 0.53 C ATOM 98 CG LEU A 7 5.357 -7.288 5.634 1.00 0.65 C ATOM 99 CD1 LEU A 7 5.097 -6.084 4.719 1.00 1.98 C ATOM 100 CD2 LEU A 7 4.420 -8.405 5.174 1.00 1.60 C ATOM 0 H LEU A 7 7.530 -7.457 8.026 1.00 0.48 H new ATOM 0 HA LEU A 7 6.518 -9.647 6.410 1.00 0.45 H new ATOM 0 HB2 LEU A 7 7.452 -6.828 5.788 1.00 0.53 H new ATOM 0 HB3 LEU A 7 7.066 -7.983 4.528 1.00 0.53 H new ATOM 0 HG LEU A 7 5.158 -7.053 6.680 1.00 0.65 H new ATOM 0 HD11 LEU A 7 4.046 -5.800 4.780 1.00 1.98 H new ATOM 0 HD12 LEU A 7 5.718 -5.246 5.035 1.00 1.98 H new ATOM 0 HD13 LEU A 7 5.342 -6.349 3.690 1.00 1.98 H new ATOM 0 HD21 LEU A 7 3.387 -8.066 5.248 1.00 1.60 H new ATOM 0 HD22 LEU A 7 4.644 -8.665 4.139 1.00 1.60 H new ATOM 0 HD23 LEU A 7 4.561 -9.281 5.807 1.00 1.60 H new ATOM 112 N ASN A 8 9.668 -8.702 6.003 1.00 0.46 N ATOM 113 CA ASN A 8 11.042 -8.968 5.541 1.00 0.42 C ATOM 114 C ASN A 8 11.622 -7.737 4.816 1.00 0.38 C ATOM 115 O ASN A 8 11.149 -7.395 3.729 1.00 0.41 O ATOM 116 CB ASN A 8 11.172 -10.153 4.564 1.00 0.50 C ATOM 117 CG ASN A 8 11.239 -11.542 5.174 1.00 0.67 C ATOM 118 OD1 ASN A 8 11.618 -11.757 6.315 1.00 1.43 O ATOM 119 ND2 ASN A 8 10.937 -12.533 4.362 1.00 1.30 N ATOM 0 H ASN A 8 9.596 -7.744 6.347 1.00 0.46 H new ATOM 0 HA ASN A 8 11.587 -9.210 6.454 1.00 0.42 H new ATOM 0 HB2 ASN A 8 10.324 -10.123 3.880 1.00 0.50 H new ATOM 0 HB3 ASN A 8 12.070 -10.002 3.965 1.00 0.50 H new ATOM 0 HD21 ASN A 8 11.018 -13.498 4.683 1.00 1.30 H new ATOM 0 HD22 ASN A 8 10.622 -12.336 3.412 1.00 1.30 H new ATOM 126 N ALA A 9 12.690 -7.120 5.341 1.00 0.37 N ATOM 127 CA ALA A 9 13.430 -6.053 4.646 1.00 0.38 C ATOM 128 C ALA A 9 13.802 -6.392 3.186 1.00 0.30 C ATOM 129 O ALA A 9 13.637 -5.552 2.303 1.00 0.31 O ATOM 130 CB ALA A 9 14.690 -5.698 5.442 1.00 0.49 C ATOM 0 H ALA A 9 13.067 -7.346 6.261 1.00 0.37 H new ATOM 0 HA ALA A 9 12.757 -5.198 4.591 1.00 0.38 H new ATOM 0 HB1 ALA A 9 15.236 -4.908 4.926 1.00 0.49 H new ATOM 0 HB2 ALA A 9 14.407 -5.353 6.437 1.00 0.49 H new ATOM 0 HB3 ALA A 9 15.325 -6.580 5.531 1.00 0.49 H new ATOM 136 N GLU A 10 14.278 -7.611 2.916 1.00 0.31 N ATOM 137 CA GLU A 10 14.723 -8.076 1.592 1.00 0.37 C ATOM 138 C GLU A 10 13.580 -8.102 0.571 1.00 0.41 C ATOM 139 O GLU A 10 13.751 -7.691 -0.581 1.00 0.55 O ATOM 140 CB GLU A 10 15.316 -9.493 1.710 1.00 0.46 C ATOM 141 CG GLU A 10 16.726 -9.525 2.321 1.00 1.22 C ATOM 142 CD GLU A 10 16.804 -8.924 3.732 1.00 2.77 C ATOM 143 OE1 GLU A 10 15.854 -9.152 4.520 1.00 3.58 O ATOM 144 OE2 GLU A 10 17.783 -8.189 3.985 1.00 4.29 O ATOM 0 H GLU A 10 14.369 -8.328 3.635 1.00 0.31 H new ATOM 0 HA GLU A 10 15.476 -7.371 1.240 1.00 0.37 H new ATOM 0 HB2 GLU A 10 14.652 -10.105 2.320 1.00 0.46 H new ATOM 0 HB3 GLU A 10 15.349 -9.947 0.720 1.00 0.46 H new ATOM 0 HG2 GLU A 10 17.073 -10.558 2.356 1.00 1.22 H new ATOM 0 HG3 GLU A 10 17.408 -8.982 1.667 1.00 1.22 H new ATOM 151 N ASP A 11 12.408 -8.563 1.010 1.00 0.38 N ATOM 152 CA ASP A 11 11.189 -8.563 0.214 1.00 0.40 C ATOM 153 C ASP A 11 10.697 -7.111 0.031 1.00 0.39 C ATOM 154 O ASP A 11 10.386 -6.705 -1.093 1.00 0.42 O ATOM 155 CB ASP A 11 10.163 -9.512 0.862 1.00 0.44 C ATOM 156 CG ASP A 11 10.620 -10.976 0.986 1.00 0.84 C ATOM 157 OD1 ASP A 11 11.389 -11.444 0.123 1.00 2.18 O ATOM 158 OD2 ASP A 11 10.133 -11.674 1.914 1.00 1.66 O ATOM 0 H ASP A 11 12.282 -8.952 1.944 1.00 0.38 H new ATOM 0 HA ASP A 11 11.363 -8.947 -0.791 1.00 0.40 H new ATOM 0 HB2 ASP A 11 9.921 -9.137 1.856 1.00 0.44 H new ATOM 0 HB3 ASP A 11 9.243 -9.482 0.278 1.00 0.44 H new ATOM 163 N ILE A 12 10.733 -6.284 1.092 1.00 0.37 N ATOM 164 CA ILE A 12 10.450 -4.838 1.036 1.00 0.37 C ATOM 165 C ILE A 12 11.348 -4.098 0.035 1.00 0.37 C ATOM 166 O ILE A 12 10.848 -3.260 -0.713 1.00 0.41 O ATOM 167 CB ILE A 12 10.490 -4.198 2.454 1.00 0.35 C ATOM 168 CG1 ILE A 12 9.081 -4.124 3.077 1.00 0.47 C ATOM 169 CG2 ILE A 12 11.054 -2.773 2.511 1.00 0.36 C ATOM 170 CD1 ILE A 12 8.724 -5.416 3.794 1.00 0.61 C ATOM 0 H ILE A 12 10.964 -6.609 2.031 1.00 0.37 H new ATOM 0 HA ILE A 12 9.433 -4.727 0.660 1.00 0.37 H new ATOM 0 HB ILE A 12 11.159 -4.860 3.004 1.00 0.35 H new ATOM 0 HG12 ILE A 12 9.035 -3.292 3.779 1.00 0.47 H new ATOM 0 HG13 ILE A 12 8.346 -3.924 2.297 1.00 0.47 H new ATOM 0 HG21 ILE A 12 11.039 -2.417 3.541 1.00 0.36 H new ATOM 0 HG22 ILE A 12 12.079 -2.772 2.141 1.00 0.36 H new ATOM 0 HG23 ILE A 12 10.445 -2.115 1.891 1.00 0.36 H new ATOM 0 HD11 ILE A 12 7.725 -5.331 4.222 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.746 -6.244 3.085 1.00 0.61 H new ATOM 0 HD13 ILE A 12 9.445 -5.601 4.590 1.00 0.61 H new ATOM 182 N LYS A 13 12.650 -4.406 -0.022 1.00 0.38 N ATOM 183 CA LYS A 13 13.607 -3.822 -0.972 1.00 0.45 C ATOM 184 C LYS A 13 13.110 -3.944 -2.419 1.00 0.48 C ATOM 185 O LYS A 13 13.215 -2.988 -3.193 1.00 0.63 O ATOM 186 CB LYS A 13 15.005 -4.431 -0.708 1.00 0.52 C ATOM 187 CG LYS A 13 15.915 -4.635 -1.930 1.00 1.24 C ATOM 188 CD LYS A 13 16.276 -3.343 -2.688 1.00 1.72 C ATOM 189 CE LYS A 13 16.037 -3.535 -4.190 1.00 2.97 C ATOM 190 NZ LYS A 13 16.015 -2.240 -4.907 1.00 4.01 N ATOM 0 H LYS A 13 13.078 -5.085 0.607 1.00 0.38 H new ATOM 0 HA LYS A 13 13.696 -2.747 -0.817 1.00 0.45 H new ATOM 0 HB2 LYS A 13 15.527 -3.788 0.001 1.00 0.52 H new ATOM 0 HB3 LYS A 13 14.868 -5.397 -0.221 1.00 0.52 H new ATOM 0 HG2 LYS A 13 16.836 -5.118 -1.603 1.00 1.24 H new ATOM 0 HG3 LYS A 13 15.424 -5.320 -2.621 1.00 1.24 H new ATOM 0 HD2 LYS A 13 15.673 -2.514 -2.318 1.00 1.72 H new ATOM 0 HD3 LYS A 13 17.319 -3.084 -2.507 1.00 1.72 H new ATOM 0 HE2 LYS A 13 16.820 -4.169 -4.606 1.00 2.97 H new ATOM 0 HE3 LYS A 13 15.091 -4.054 -4.345 1.00 2.97 H new ATOM 0 HZ1 LYS A 13 15.851 -2.407 -5.920 1.00 4.01 H new ATOM 0 HZ2 LYS A 13 15.251 -1.645 -4.526 1.00 4.01 H new ATOM 0 HZ3 LYS A 13 16.927 -1.757 -4.779 1.00 4.01 H new ATOM 204 N LYS A 14 12.569 -5.108 -2.791 1.00 0.41 N ATOM 205 CA LYS A 14 11.983 -5.356 -4.117 1.00 0.49 C ATOM 206 C LYS A 14 10.589 -4.750 -4.244 1.00 0.48 C ATOM 207 O LYS A 14 10.264 -4.195 -5.290 1.00 0.54 O ATOM 208 CB LYS A 14 12.000 -6.867 -4.390 1.00 0.62 C ATOM 209 CG LYS A 14 13.451 -7.303 -4.651 1.00 0.97 C ATOM 210 CD LYS A 14 13.709 -8.776 -4.330 1.00 1.45 C ATOM 211 CE LYS A 14 15.223 -9.013 -4.409 1.00 2.64 C ATOM 212 NZ LYS A 14 15.548 -10.389 -4.849 1.00 2.99 N ATOM 0 H LYS A 14 12.524 -5.918 -2.172 1.00 0.41 H new ATOM 0 HA LYS A 14 12.583 -4.859 -4.879 1.00 0.49 H new ATOM 0 HB2 LYS A 14 11.589 -7.410 -3.539 1.00 0.62 H new ATOM 0 HB3 LYS A 14 11.374 -7.103 -5.250 1.00 0.62 H new ATOM 0 HG2 LYS A 14 13.696 -7.118 -5.697 1.00 0.97 H new ATOM 0 HG3 LYS A 14 14.121 -6.686 -4.053 1.00 0.97 H new ATOM 0 HD2 LYS A 14 13.335 -9.022 -3.336 1.00 1.45 H new ATOM 0 HD3 LYS A 14 13.184 -9.419 -5.036 1.00 1.45 H new ATOM 0 HE2 LYS A 14 15.666 -8.297 -5.101 1.00 2.64 H new ATOM 0 HE3 LYS A 14 15.670 -8.830 -3.432 1.00 2.64 H new ATOM 0 HZ1 LYS A 14 16.581 -10.506 -4.889 1.00 2.99 H new ATOM 0 HZ2 LYS A 14 15.148 -11.073 -4.175 1.00 2.99 H new ATOM 0 HZ3 LYS A 14 15.144 -10.556 -5.793 1.00 2.99 H new ATOM 226 N ALA A 15 9.813 -4.769 -3.161 1.00 0.46 N ATOM 227 CA ALA A 15 8.512 -4.132 -3.077 1.00 0.50 C ATOM 228 C ALA A 15 8.567 -2.627 -3.371 1.00 0.43 C ATOM 229 O ALA A 15 7.902 -2.166 -4.293 1.00 0.43 O ATOM 230 CB ALA A 15 7.929 -4.414 -1.697 1.00 0.56 C ATOM 0 H ALA A 15 10.085 -5.242 -2.299 1.00 0.46 H new ATOM 0 HA ALA A 15 7.865 -4.551 -3.848 1.00 0.50 H new ATOM 0 HB1 ALA A 15 6.950 -3.943 -1.613 1.00 0.56 H new ATOM 0 HB2 ALA A 15 7.828 -5.490 -1.558 1.00 0.56 H new ATOM 0 HB3 ALA A 15 8.593 -4.010 -0.932 1.00 0.56 H new ATOM 236 N VAL A 16 9.384 -1.852 -2.645 1.00 0.39 N ATOM 237 CA VAL A 16 9.532 -0.402 -2.868 1.00 0.35 C ATOM 238 C VAL A 16 9.916 -0.110 -4.328 1.00 0.27 C ATOM 239 O VAL A 16 9.402 0.836 -4.923 1.00 0.32 O ATOM 240 CB VAL A 16 10.545 0.206 -1.873 1.00 0.42 C ATOM 241 CG1 VAL A 16 10.765 1.708 -2.093 1.00 0.63 C ATOM 242 CG2 VAL A 16 10.066 0.050 -0.422 1.00 0.72 C ATOM 0 H VAL A 16 9.963 -2.210 -1.885 1.00 0.39 H new ATOM 0 HA VAL A 16 8.570 0.076 -2.684 1.00 0.35 H new ATOM 0 HB VAL A 16 11.472 -0.339 -2.050 1.00 0.42 H new ATOM 0 HG11 VAL A 16 11.486 2.081 -1.365 1.00 0.63 H new ATOM 0 HG12 VAL A 16 11.146 1.876 -3.100 1.00 0.63 H new ATOM 0 HG13 VAL A 16 9.819 2.236 -1.970 1.00 0.63 H new ATOM 0 HG21 VAL A 16 10.801 0.488 0.253 1.00 0.72 H new ATOM 0 HG22 VAL A 16 9.110 0.559 -0.298 1.00 0.72 H new ATOM 0 HG23 VAL A 16 9.946 -1.008 -0.190 1.00 0.72 H new ATOM 252 N GLY A 17 10.721 -0.985 -4.946 1.00 0.25 N ATOM 253 CA GLY A 17 11.068 -0.924 -6.366 1.00 0.30 C ATOM 254 C GLY A 17 9.884 -1.130 -7.324 1.00 0.34 C ATOM 255 O GLY A 17 9.947 -0.663 -8.458 1.00 0.56 O ATOM 0 H GLY A 17 11.156 -1.769 -4.460 1.00 0.25 H new ATOM 0 HA2 GLY A 17 11.522 0.045 -6.574 1.00 0.30 H new ATOM 0 HA3 GLY A 17 11.823 -1.682 -6.575 1.00 0.30 H new ATOM 259 N ALA A 18 8.799 -1.783 -6.892 1.00 0.33 N ATOM 260 CA ALA A 18 7.586 -1.991 -7.682 1.00 0.40 C ATOM 261 C ALA A 18 6.689 -0.740 -7.751 1.00 0.45 C ATOM 262 O ALA A 18 6.045 -0.517 -8.771 1.00 0.79 O ATOM 263 CB ALA A 18 6.820 -3.187 -7.101 1.00 0.49 C ATOM 0 H ALA A 18 8.742 -2.191 -5.959 1.00 0.33 H new ATOM 0 HA ALA A 18 7.882 -2.197 -8.711 1.00 0.40 H new ATOM 0 HB1 ALA A 18 5.912 -3.354 -7.681 1.00 0.49 H new ATOM 0 HB2 ALA A 18 7.448 -4.077 -7.145 1.00 0.49 H new ATOM 0 HB3 ALA A 18 6.555 -2.981 -6.064 1.00 0.49 H new ATOM 269 N PHE A 19 6.667 0.094 -6.700 1.00 0.39 N ATOM 270 CA PHE A 19 5.985 1.399 -6.707 1.00 0.47 C ATOM 271 C PHE A 19 6.909 2.564 -7.131 1.00 0.45 C ATOM 272 O PHE A 19 6.436 3.691 -7.252 1.00 0.60 O ATOM 273 CB PHE A 19 5.371 1.691 -5.325 1.00 0.59 C ATOM 274 CG PHE A 19 4.228 0.799 -4.855 1.00 0.68 C ATOM 275 CD1 PHE A 19 3.139 0.524 -5.704 1.00 1.58 C ATOM 276 CD2 PHE A 19 4.170 0.375 -3.512 1.00 2.39 C ATOM 277 CE1 PHE A 19 2.013 -0.160 -5.211 1.00 1.52 C ATOM 278 CE2 PHE A 19 3.034 -0.301 -3.023 1.00 2.48 C ATOM 279 CZ PHE A 19 1.961 -0.577 -3.875 1.00 0.88 C ATOM 0 H PHE A 19 7.125 -0.119 -5.814 1.00 0.39 H new ATOM 0 HA PHE A 19 5.196 1.331 -7.456 1.00 0.47 H new ATOM 0 HB2 PHE A 19 6.169 1.632 -4.584 1.00 0.59 H new ATOM 0 HB3 PHE A 19 5.014 2.721 -5.328 1.00 0.59 H new ATOM 0 HD1 PHE A 19 3.168 0.839 -6.737 1.00 1.58 H new ATOM 0 HD2 PHE A 19 5.003 0.570 -2.852 1.00 2.39 H new ATOM 0 HE1 PHE A 19 1.181 -0.365 -5.869 1.00 1.52 H new ATOM 0 HE2 PHE A 19 2.993 -0.606 -1.988 1.00 2.48 H new ATOM 0 HZ PHE A 19 1.097 -1.109 -3.505 1.00 0.88 H new ATOM 289 N SER A 20 8.207 2.317 -7.371 1.00 0.49 N ATOM 290 CA SER A 20 9.240 3.297 -7.761 1.00 0.64 C ATOM 291 C SER A 20 9.060 3.869 -9.189 1.00 0.57 C ATOM 292 O SER A 20 9.998 3.872 -9.994 1.00 0.70 O ATOM 293 CB SER A 20 10.621 2.645 -7.579 1.00 0.97 C ATOM 294 OG SER A 20 11.647 3.520 -7.993 1.00 2.17 O ATOM 0 H SER A 20 8.588 1.374 -7.294 1.00 0.49 H new ATOM 0 HA SER A 20 9.141 4.165 -7.109 1.00 0.64 H new ATOM 0 HB2 SER A 20 10.766 2.376 -6.533 1.00 0.97 H new ATOM 0 HB3 SER A 20 10.671 1.721 -8.155 1.00 0.97 H new ATOM 0 HG SER A 20 11.521 3.748 -8.938 1.00 2.17 H new ATOM 300 N ALA A 21 7.865 4.371 -9.502 1.00 0.53 N ATOM 301 CA ALA A 21 7.444 4.895 -10.798 1.00 0.64 C ATOM 302 C ALA A 21 6.433 6.048 -10.620 1.00 0.69 C ATOM 303 O ALA A 21 6.207 6.519 -9.506 1.00 1.27 O ATOM 304 CB ALA A 21 6.855 3.721 -11.590 1.00 0.73 C ATOM 0 H ALA A 21 7.118 4.425 -8.810 1.00 0.53 H new ATOM 0 HA ALA A 21 8.287 5.319 -11.344 1.00 0.64 H new ATOM 0 HB1 ALA A 21 6.527 4.071 -12.569 1.00 0.73 H new ATOM 0 HB2 ALA A 21 7.615 2.950 -11.716 1.00 0.73 H new ATOM 0 HB3 ALA A 21 6.004 3.307 -11.049 1.00 0.73 H new ATOM 310 N THR A 22 5.832 6.522 -11.720 1.00 0.69 N ATOM 311 CA THR A 22 4.658 7.404 -11.684 1.00 0.84 C ATOM 312 C THR A 22 3.381 6.546 -11.559 1.00 1.24 C ATOM 313 O THR A 22 3.287 5.675 -10.701 1.00 2.74 O ATOM 314 CB THR A 22 4.659 8.370 -12.896 1.00 1.04 C ATOM 315 OG1 THR A 22 4.641 7.678 -14.131 1.00 1.39 O ATOM 316 CG2 THR A 22 5.881 9.290 -12.893 1.00 1.28 C ATOM 0 H THR A 22 6.149 6.303 -12.665 1.00 0.69 H new ATOM 0 HA THR A 22 4.691 8.049 -10.806 1.00 0.84 H new ATOM 0 HB THR A 22 3.749 8.961 -12.794 1.00 1.04 H new ATOM 0 HG1 THR A 22 3.887 7.994 -14.672 1.00 1.39 H new ATOM 0 HG21 THR A 22 5.842 9.950 -13.759 1.00 1.28 H new ATOM 0 HG22 THR A 22 5.884 9.887 -11.981 1.00 1.28 H new ATOM 0 HG23 THR A 22 6.789 8.689 -12.936 1.00 1.28 H new ATOM 324 N ASP A 23 2.394 6.775 -12.423 1.00 0.88 N ATOM 325 CA ASP A 23 1.214 5.992 -12.787 1.00 0.84 C ATOM 326 C ASP A 23 1.484 4.547 -13.260 1.00 0.82 C ATOM 327 O ASP A 23 0.925 4.080 -14.250 1.00 1.51 O ATOM 328 CB ASP A 23 0.341 6.847 -13.735 1.00 1.04 C ATOM 329 CG ASP A 23 1.044 7.731 -14.802 1.00 1.71 C ATOM 330 OD1 ASP A 23 2.302 7.787 -14.853 1.00 2.66 O ATOM 331 OD2 ASP A 23 0.301 8.469 -15.487 1.00 2.88 O ATOM 0 H ASP A 23 2.407 7.641 -12.962 1.00 0.88 H new ATOM 0 HA ASP A 23 0.648 5.785 -11.879 1.00 0.84 H new ATOM 0 HB2 ASP A 23 -0.336 6.173 -14.259 1.00 1.04 H new ATOM 0 HB3 ASP A 23 -0.275 7.501 -13.117 1.00 1.04 H new ATOM 336 N SER A 24 2.259 3.806 -12.460 1.00 0.76 N ATOM 337 CA SER A 24 2.488 2.359 -12.556 1.00 0.79 C ATOM 338 C SER A 24 2.388 1.717 -11.163 1.00 0.83 C ATOM 339 O SER A 24 3.276 0.971 -10.754 1.00 1.45 O ATOM 340 CB SER A 24 3.850 2.061 -13.207 1.00 0.84 C ATOM 341 OG SER A 24 3.937 2.585 -14.517 1.00 1.61 O ATOM 0 H SER A 24 2.773 4.223 -11.684 1.00 0.76 H new ATOM 0 HA SER A 24 1.717 1.925 -13.193 1.00 0.79 H new ATOM 0 HB2 SER A 24 4.645 2.484 -12.594 1.00 0.84 H new ATOM 0 HB3 SER A 24 4.010 0.983 -13.236 1.00 0.84 H new ATOM 0 HG SER A 24 4.817 2.376 -14.895 1.00 1.61 H new ATOM 347 N PHE A 25 1.327 2.036 -10.405 1.00 0.81 N ATOM 348 CA PHE A 25 1.116 1.576 -9.028 1.00 0.90 C ATOM 349 C PHE A 25 0.910 0.055 -8.938 1.00 1.14 C ATOM 350 O PHE A 25 -0.214 -0.442 -8.857 1.00 2.24 O ATOM 351 CB PHE A 25 -0.069 2.305 -8.385 1.00 1.10 C ATOM 352 CG PHE A 25 -0.208 2.098 -6.884 1.00 1.35 C ATOM 353 CD1 PHE A 25 0.702 2.694 -5.990 1.00 2.46 C ATOM 354 CD2 PHE A 25 -1.255 1.313 -6.368 1.00 1.72 C ATOM 355 CE1 PHE A 25 0.557 2.518 -4.603 1.00 2.78 C ATOM 356 CE2 PHE A 25 -1.374 1.111 -4.980 1.00 1.82 C ATOM 357 CZ PHE A 25 -0.476 1.719 -4.093 1.00 1.97 C ATOM 0 H PHE A 25 0.575 2.636 -10.743 1.00 0.81 H new ATOM 0 HA PHE A 25 2.027 1.815 -8.479 1.00 0.90 H new ATOM 0 HB2 PHE A 25 0.029 3.372 -8.583 1.00 1.10 H new ATOM 0 HB3 PHE A 25 -0.987 1.974 -8.870 1.00 1.10 H new ATOM 0 HD1 PHE A 25 1.517 3.290 -6.373 1.00 2.46 H new ATOM 0 HD2 PHE A 25 -1.971 0.863 -7.040 1.00 1.72 H new ATOM 0 HE1 PHE A 25 1.246 3.001 -3.926 1.00 2.78 H new ATOM 0 HE2 PHE A 25 -2.164 0.482 -4.596 1.00 1.82 H new ATOM 0 HZ PHE A 25 -0.578 1.574 -3.028 1.00 1.97 H new ATOM 367 N ASP A 26 1.998 -0.709 -8.961 1.00 1.00 N ATOM 368 CA ASP A 26 1.982 -2.161 -9.126 1.00 1.08 C ATOM 369 C ASP A 26 1.563 -2.925 -7.841 1.00 0.88 C ATOM 370 O ASP A 26 2.175 -3.925 -7.492 1.00 0.74 O ATOM 371 CB ASP A 26 3.351 -2.583 -9.727 1.00 1.42 C ATOM 372 CG ASP A 26 3.246 -3.513 -10.950 1.00 1.65 C ATOM 373 OD1 ASP A 26 2.155 -4.099 -11.160 1.00 2.09 O ATOM 374 OD2 ASP A 26 4.269 -3.669 -11.659 1.00 2.83 O ATOM 0 H ASP A 26 2.939 -0.327 -8.863 1.00 1.00 H new ATOM 0 HA ASP A 26 1.197 -2.451 -9.824 1.00 1.08 H new ATOM 0 HB2 ASP A 26 3.901 -1.686 -10.013 1.00 1.42 H new ATOM 0 HB3 ASP A 26 3.935 -3.083 -8.954 1.00 1.42 H new ATOM 379 N HIS A 27 0.504 -2.502 -7.128 1.00 0.95 N ATOM 380 CA HIS A 27 0.090 -2.991 -5.793 1.00 0.91 C ATOM 381 C HIS A 27 0.064 -4.509 -5.645 1.00 0.82 C ATOM 382 O HIS A 27 0.639 -5.068 -4.716 1.00 0.78 O ATOM 383 CB HIS A 27 -1.276 -2.406 -5.395 1.00 1.00 C ATOM 384 CG HIS A 27 -2.418 -2.717 -6.340 1.00 1.42 C ATOM 385 ND1 HIS A 27 -3.309 -3.764 -6.231 1.00 2.31 N ATOM 386 CD2 HIS A 27 -2.739 -2.031 -7.481 1.00 2.65 C ATOM 387 CE1 HIS A 27 -4.113 -3.733 -7.309 1.00 3.07 C ATOM 388 NE2 HIS A 27 -3.803 -2.692 -8.092 1.00 3.26 N ATOM 0 H HIS A 27 -0.119 -1.775 -7.480 1.00 0.95 H new ATOM 0 HA HIS A 27 0.867 -2.637 -5.115 1.00 0.91 H new ATOM 0 HB2 HIS A 27 -1.536 -2.777 -4.404 1.00 1.00 H new ATOM 0 HB3 HIS A 27 -1.179 -1.323 -5.314 1.00 1.00 H new ATOM 0 HD2 HIS A 27 -2.254 -1.137 -7.843 1.00 2.65 H new ATOM 0 HE1 HIS A 27 -4.897 -4.447 -7.514 1.00 3.07 H new ATOM 0 HE2 HIS A 27 -4.258 -2.433 -8.967 1.00 3.26 H new ATOM 396 N LYS A 28 -0.591 -5.184 -6.583 1.00 0.82 N ATOM 397 CA LYS A 28 -0.617 -6.634 -6.721 1.00 0.83 C ATOM 398 C LYS A 28 0.787 -7.236 -6.807 1.00 0.61 C ATOM 399 O LYS A 28 1.102 -8.152 -6.050 1.00 0.62 O ATOM 400 CB LYS A 28 -1.561 -7.001 -7.870 1.00 1.04 C ATOM 401 CG LYS A 28 -1.189 -6.570 -9.298 1.00 1.53 C ATOM 402 CD LYS A 28 -1.133 -5.046 -9.527 1.00 2.40 C ATOM 403 CE LYS A 28 -1.329 -4.624 -10.984 1.00 2.58 C ATOM 404 NZ LYS A 28 -0.222 -5.070 -11.861 1.00 3.92 N ATOM 0 H LYS A 28 -1.143 -4.713 -7.300 1.00 0.82 H new ATOM 0 HA LYS A 28 -1.022 -7.093 -5.819 1.00 0.83 H new ATOM 0 HB2 LYS A 28 -1.674 -8.085 -7.871 1.00 1.04 H new ATOM 0 HB3 LYS A 28 -2.539 -6.578 -7.642 1.00 1.04 H new ATOM 0 HG2 LYS A 28 -0.217 -6.995 -9.548 1.00 1.53 H new ATOM 0 HG3 LYS A 28 -1.913 -7.000 -9.991 1.00 1.53 H new ATOM 0 HD2 LYS A 28 -1.900 -4.570 -8.916 1.00 2.40 H new ATOM 0 HD3 LYS A 28 -0.170 -4.673 -9.179 1.00 2.40 H new ATOM 0 HE2 LYS A 28 -2.268 -5.035 -11.354 1.00 2.58 H new ATOM 0 HE3 LYS A 28 -1.413 -3.539 -11.036 1.00 2.58 H new ATOM 0 HZ1 LYS A 28 -0.214 -4.497 -12.729 1.00 3.92 H new ATOM 0 HZ2 LYS A 28 0.684 -4.956 -11.362 1.00 3.92 H new ATOM 0 HZ3 LYS A 28 -0.357 -6.071 -12.108 1.00 3.92 H new ATOM 418 N LYS A 29 1.653 -6.662 -7.648 1.00 0.59 N ATOM 419 CA LYS A 29 3.050 -7.066 -7.819 1.00 0.50 C ATOM 420 C LYS A 29 3.861 -6.793 -6.554 1.00 0.42 C ATOM 421 O LYS A 29 4.604 -7.666 -6.122 1.00 0.39 O ATOM 422 CB LYS A 29 3.662 -6.311 -9.005 1.00 0.67 C ATOM 423 CG LYS A 29 4.824 -7.092 -9.635 1.00 1.14 C ATOM 424 CD LYS A 29 5.867 -6.162 -10.272 1.00 2.20 C ATOM 425 CE LYS A 29 6.141 -6.531 -11.730 1.00 2.21 C ATOM 426 NZ LYS A 29 7.116 -5.592 -12.325 1.00 3.38 N ATOM 0 H LYS A 29 1.392 -5.879 -8.247 1.00 0.59 H new ATOM 0 HA LYS A 29 3.077 -8.138 -8.013 1.00 0.50 H new ATOM 0 HB2 LYS A 29 2.894 -6.131 -9.757 1.00 0.67 H new ATOM 0 HB3 LYS A 29 4.017 -5.336 -8.672 1.00 0.67 H new ATOM 0 HG2 LYS A 29 5.304 -7.705 -8.872 1.00 1.14 H new ATOM 0 HG3 LYS A 29 4.435 -7.772 -10.393 1.00 1.14 H new ATOM 0 HD2 LYS A 29 5.517 -5.131 -10.218 1.00 2.20 H new ATOM 0 HD3 LYS A 29 6.795 -6.213 -9.703 1.00 2.20 H new ATOM 0 HE2 LYS A 29 6.525 -7.549 -11.788 1.00 2.21 H new ATOM 0 HE3 LYS A 29 5.211 -6.508 -12.298 1.00 2.21 H new ATOM 0 HZ1 LYS A 29 7.292 -5.856 -13.316 1.00 3.38 H new ATOM 0 HZ2 LYS A 29 6.735 -4.625 -12.286 1.00 3.38 H new ATOM 0 HZ3 LYS A 29 8.008 -5.634 -11.792 1.00 3.38 H new ATOM 440 N PHE A 30 3.676 -5.617 -5.939 1.00 0.50 N ATOM 441 CA PHE A 30 4.239 -5.242 -4.642 1.00 0.52 C ATOM 442 C PHE A 30 3.890 -6.298 -3.598 1.00 0.45 C ATOM 443 O PHE A 30 4.790 -6.893 -3.019 1.00 0.47 O ATOM 444 CB PHE A 30 3.751 -3.845 -4.210 1.00 0.67 C ATOM 445 CG PHE A 30 4.299 -3.370 -2.873 1.00 0.78 C ATOM 446 CD1 PHE A 30 3.826 -3.890 -1.651 1.00 1.94 C ATOM 447 CD2 PHE A 30 5.285 -2.372 -2.850 1.00 1.76 C ATOM 448 CE1 PHE A 30 4.388 -3.473 -0.433 1.00 2.11 C ATOM 449 CE2 PHE A 30 5.833 -1.929 -1.634 1.00 1.79 C ATOM 450 CZ PHE A 30 5.410 -2.514 -0.431 1.00 1.19 C ATOM 0 H PHE A 30 3.108 -4.876 -6.349 1.00 0.50 H new ATOM 0 HA PHE A 30 5.324 -5.193 -4.733 1.00 0.52 H new ATOM 0 HB2 PHE A 30 4.028 -3.124 -4.979 1.00 0.67 H new ATOM 0 HB3 PHE A 30 2.662 -3.854 -4.159 1.00 0.67 H new ATOM 0 HD1 PHE A 30 3.025 -4.615 -1.651 1.00 1.94 H new ATOM 0 HD2 PHE A 30 5.627 -1.939 -3.778 1.00 1.76 H new ATOM 0 HE1 PHE A 30 4.034 -3.890 0.498 1.00 2.11 H new ATOM 0 HE2 PHE A 30 6.574 -1.144 -1.626 1.00 1.79 H new ATOM 0 HZ PHE A 30 5.874 -2.224 0.500 1.00 1.19 H new ATOM 460 N PHE A 31 2.594 -6.549 -3.368 1.00 0.43 N ATOM 461 CA PHE A 31 2.127 -7.488 -2.350 1.00 0.39 C ATOM 462 C PHE A 31 2.600 -8.923 -2.617 1.00 0.29 C ATOM 463 O PHE A 31 2.802 -9.682 -1.672 1.00 0.33 O ATOM 464 CB PHE A 31 0.600 -7.453 -2.231 1.00 0.48 C ATOM 465 CG PHE A 31 0.015 -6.411 -1.285 1.00 0.64 C ATOM 466 CD1 PHE A 31 0.265 -5.038 -1.474 1.00 2.27 C ATOM 467 CD2 PHE A 31 -0.894 -6.806 -0.282 1.00 1.75 C ATOM 468 CE1 PHE A 31 -0.352 -4.079 -0.651 1.00 2.47 C ATOM 469 CE2 PHE A 31 -1.528 -5.851 0.530 1.00 1.69 C ATOM 470 CZ PHE A 31 -1.246 -4.488 0.351 1.00 1.07 C ATOM 0 H PHE A 31 1.839 -6.102 -3.888 1.00 0.43 H new ATOM 0 HA PHE A 31 2.566 -7.167 -1.406 1.00 0.39 H new ATOM 0 HB2 PHE A 31 0.184 -7.284 -3.224 1.00 0.48 H new ATOM 0 HB3 PHE A 31 0.260 -8.437 -1.907 1.00 0.48 H new ATOM 0 HD1 PHE A 31 0.936 -4.719 -2.258 1.00 2.27 H new ATOM 0 HD2 PHE A 31 -1.105 -7.855 -0.136 1.00 1.75 H new ATOM 0 HE1 PHE A 31 -0.138 -3.029 -0.790 1.00 2.47 H new ATOM 0 HE2 PHE A 31 -2.230 -6.164 1.289 1.00 1.69 H new ATOM 0 HZ PHE A 31 -1.718 -3.752 0.985 1.00 1.07 H new ATOM 480 N GLN A 32 2.801 -9.295 -3.883 1.00 0.26 N ATOM 481 CA GLN A 32 3.399 -10.569 -4.270 1.00 0.27 C ATOM 482 C GLN A 32 4.918 -10.585 -3.986 1.00 0.27 C ATOM 483 O GLN A 32 5.380 -11.464 -3.263 1.00 0.34 O ATOM 484 CB GLN A 32 3.027 -10.852 -5.738 1.00 0.38 C ATOM 485 CG GLN A 32 1.525 -11.198 -5.871 1.00 0.53 C ATOM 486 CD GLN A 32 0.947 -10.946 -7.266 1.00 0.99 C ATOM 487 OE1 GLN A 32 1.616 -11.062 -8.279 1.00 1.90 O ATOM 488 NE2 GLN A 32 -0.331 -10.616 -7.385 1.00 1.16 N ATOM 0 H GLN A 32 2.548 -8.709 -4.678 1.00 0.26 H new ATOM 0 HA GLN A 32 3.001 -11.384 -3.665 1.00 0.27 H new ATOM 0 HB2 GLN A 32 3.259 -9.981 -6.350 1.00 0.38 H new ATOM 0 HB3 GLN A 32 3.629 -11.678 -6.117 1.00 0.38 H new ATOM 0 HG2 GLN A 32 1.381 -12.247 -5.614 1.00 0.53 H new ATOM 0 HG3 GLN A 32 0.962 -10.611 -5.145 1.00 0.53 H new ATOM 0 HE21 GLN A 32 -0.911 -10.513 -6.552 1.00 1.16 H new ATOM 0 HE22 GLN A 32 -0.735 -10.465 -8.309 1.00 1.16 H new ATOM 497 N MET A 33 5.691 -9.605 -4.477 1.00 0.31 N ATOM 498 CA MET A 33 7.147 -9.485 -4.277 1.00 0.44 C ATOM 499 C MET A 33 7.561 -9.300 -2.810 1.00 0.48 C ATOM 500 O MET A 33 8.500 -9.951 -2.362 1.00 0.63 O ATOM 501 CB MET A 33 7.709 -8.323 -5.114 1.00 0.55 C ATOM 502 CG MET A 33 7.839 -8.707 -6.590 1.00 0.68 C ATOM 503 SD MET A 33 8.510 -7.384 -7.631 1.00 1.43 S ATOM 504 CE MET A 33 8.970 -8.362 -9.085 1.00 1.56 C ATOM 0 H MET A 33 5.309 -8.848 -5.044 1.00 0.31 H new ATOM 0 HA MET A 33 7.568 -10.435 -4.607 1.00 0.44 H new ATOM 0 HB2 MET A 33 7.056 -7.455 -5.019 1.00 0.55 H new ATOM 0 HB3 MET A 33 8.685 -8.032 -4.725 1.00 0.55 H new ATOM 0 HG2 MET A 33 8.481 -9.584 -6.673 1.00 0.68 H new ATOM 0 HG3 MET A 33 6.858 -8.994 -6.969 1.00 0.68 H new ATOM 0 HE1 MET A 33 9.405 -7.708 -9.841 1.00 1.56 H new ATOM 0 HE2 MET A 33 9.699 -9.120 -8.798 1.00 1.56 H new ATOM 0 HE3 MET A 33 8.083 -8.847 -9.493 1.00 1.56 H new ATOM 514 N VAL A 34 6.856 -8.448 -2.055 1.00 0.43 N ATOM 515 CA VAL A 34 7.037 -8.271 -0.604 1.00 0.47 C ATOM 516 C VAL A 34 6.589 -9.523 0.187 1.00 0.47 C ATOM 517 O VAL A 34 6.883 -9.658 1.372 1.00 0.62 O ATOM 518 CB VAL A 34 6.257 -7.035 -0.125 1.00 0.52 C ATOM 519 CG1 VAL A 34 4.797 -7.315 0.167 1.00 0.60 C ATOM 520 CG2 VAL A 34 6.876 -6.414 1.126 1.00 0.60 C ATOM 0 H VAL A 34 6.127 -7.848 -2.442 1.00 0.43 H new ATOM 0 HA VAL A 34 8.101 -8.126 -0.416 1.00 0.47 H new ATOM 0 HB VAL A 34 6.318 -6.339 -0.962 1.00 0.52 H new ATOM 0 HG11 VAL A 34 4.310 -6.398 0.500 1.00 0.60 H new ATOM 0 HG12 VAL A 34 4.308 -7.678 -0.737 1.00 0.60 H new ATOM 0 HG13 VAL A 34 4.721 -8.071 0.949 1.00 0.60 H new ATOM 0 HG21 VAL A 34 6.292 -5.544 1.428 1.00 0.60 H new ATOM 0 HG22 VAL A 34 6.879 -7.147 1.933 1.00 0.60 H new ATOM 0 HG23 VAL A 34 7.900 -6.107 0.911 1.00 0.60 H new ATOM 530 N GLY A 35 5.820 -10.421 -0.449 1.00 0.36 N ATOM 531 CA GLY A 35 5.191 -11.577 0.182 1.00 0.37 C ATOM 532 C GLY A 35 4.080 -11.238 1.181 1.00 0.31 C ATOM 533 O GLY A 35 3.868 -11.995 2.121 1.00 0.37 O ATOM 0 H GLY A 35 5.617 -10.355 -1.446 1.00 0.36 H new ATOM 0 HA2 GLY A 35 4.777 -12.218 -0.597 1.00 0.37 H new ATOM 0 HA3 GLY A 35 5.959 -12.155 0.696 1.00 0.37 H new ATOM 537 N LEU A 36 3.347 -10.138 1.000 1.00 0.31 N ATOM 538 CA LEU A 36 2.298 -9.672 1.913 1.00 0.30 C ATOM 539 C LEU A 36 1.211 -10.725 2.118 1.00 0.31 C ATOM 540 O LEU A 36 1.000 -11.202 3.227 1.00 0.33 O ATOM 541 CB LEU A 36 1.698 -8.351 1.389 1.00 0.33 C ATOM 542 CG LEU A 36 2.147 -7.179 2.258 1.00 0.51 C ATOM 543 CD1 LEU A 36 1.902 -5.797 1.647 1.00 0.47 C ATOM 544 CD2 LEU A 36 1.390 -7.251 3.565 1.00 0.81 C ATOM 0 H LEU A 36 3.469 -9.528 0.191 1.00 0.31 H new ATOM 0 HA LEU A 36 2.752 -9.494 2.888 1.00 0.30 H new ATOM 0 HB2 LEU A 36 2.010 -8.187 0.357 1.00 0.33 H new ATOM 0 HB3 LEU A 36 0.610 -8.414 1.387 1.00 0.33 H new ATOM 0 HG LEU A 36 3.226 -7.278 2.376 1.00 0.51 H new ATOM 0 HD11 LEU A 36 2.252 -5.028 2.335 1.00 0.47 H new ATOM 0 HD12 LEU A 36 2.443 -5.715 0.704 1.00 0.47 H new ATOM 0 HD13 LEU A 36 0.836 -5.663 1.466 1.00 0.47 H new ATOM 0 HD21 LEU A 36 1.692 -6.423 4.207 1.00 0.81 H new ATOM 0 HD22 LEU A 36 0.320 -7.187 3.370 1.00 0.81 H new ATOM 0 HD23 LEU A 36 1.612 -8.195 4.062 1.00 0.81 H new ATOM 556 N LYS A 37 0.602 -11.140 1.008 1.00 0.34 N ATOM 557 CA LYS A 37 -0.297 -12.306 0.887 1.00 0.40 C ATOM 558 C LYS A 37 0.275 -13.626 1.461 1.00 0.40 C ATOM 559 O LYS A 37 -0.503 -14.540 1.713 1.00 0.45 O ATOM 560 CB LYS A 37 -0.659 -12.551 -0.587 1.00 0.55 C ATOM 561 CG LYS A 37 -1.523 -11.451 -1.226 1.00 0.60 C ATOM 562 CD LYS A 37 -2.221 -11.971 -2.492 1.00 0.59 C ATOM 563 CE LYS A 37 -1.237 -12.235 -3.637 1.00 0.54 C ATOM 564 NZ LYS A 37 -1.815 -13.146 -4.652 1.00 0.98 N ATOM 0 H LYS A 37 0.723 -10.653 0.120 1.00 0.34 H new ATOM 0 HA LYS A 37 -1.171 -12.044 1.483 1.00 0.40 H new ATOM 0 HB2 LYS A 37 0.262 -12.651 -1.162 1.00 0.55 H new ATOM 0 HB3 LYS A 37 -1.188 -13.501 -0.664 1.00 0.55 H new ATOM 0 HG2 LYS A 37 -2.269 -11.106 -0.510 1.00 0.60 H new ATOM 0 HG3 LYS A 37 -0.900 -10.592 -1.476 1.00 0.60 H new ATOM 0 HD2 LYS A 37 -2.755 -12.891 -2.257 1.00 0.59 H new ATOM 0 HD3 LYS A 37 -2.966 -11.244 -2.817 1.00 0.59 H new ATOM 0 HE2 LYS A 37 -0.964 -11.291 -4.108 1.00 0.54 H new ATOM 0 HE3 LYS A 37 -0.320 -12.669 -3.237 1.00 0.54 H new ATOM 0 HZ1 LYS A 37 -1.081 -13.801 -4.989 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 -2.594 -13.688 -4.228 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 -2.176 -12.589 -5.453 1.00 0.98 H new ATOM 578 N LYS A 38 1.604 -13.758 1.637 1.00 0.39 N ATOM 579 CA LYS A 38 2.265 -14.918 2.274 1.00 0.45 C ATOM 580 C LYS A 38 2.341 -14.768 3.802 1.00 0.41 C ATOM 581 O LYS A 38 2.481 -15.762 4.512 1.00 0.52 O ATOM 582 CB LYS A 38 3.649 -15.180 1.617 1.00 0.55 C ATOM 583 CG LYS A 38 4.903 -14.932 2.492 1.00 1.37 C ATOM 584 CD LYS A 38 6.200 -14.828 1.665 1.00 1.38 C ATOM 585 CE LYS A 38 7.194 -13.849 2.312 1.00 2.06 C ATOM 586 NZ LYS A 38 8.349 -13.570 1.421 1.00 2.81 N ATOM 0 H LYS A 38 2.266 -13.044 1.333 1.00 0.39 H new ATOM 0 HA LYS A 38 1.653 -15.803 2.099 1.00 0.45 H new ATOM 0 HB2 LYS A 38 3.672 -16.216 1.278 1.00 0.55 H new ATOM 0 HB3 LYS A 38 3.726 -14.552 0.729 1.00 0.55 H new ATOM 0 HG2 LYS A 38 4.766 -14.013 3.062 1.00 1.37 H new ATOM 0 HG3 LYS A 38 5.002 -15.743 3.214 1.00 1.37 H new ATOM 0 HD2 LYS A 38 6.659 -15.813 1.578 1.00 1.38 H new ATOM 0 HD3 LYS A 38 5.964 -14.496 0.654 1.00 1.38 H new ATOM 0 HE2 LYS A 38 6.683 -12.916 2.549 1.00 2.06 H new ATOM 0 HE3 LYS A 38 7.553 -14.264 3.254 1.00 2.06 H new ATOM 0 HZ1 LYS A 38 8.829 -12.703 1.736 1.00 2.81 H new ATOM 0 HZ2 LYS A 38 9.016 -14.367 1.457 1.00 2.81 H new ATOM 0 HZ3 LYS A 38 8.012 -13.445 0.445 1.00 2.81 H new ATOM 600 N LYS A 39 2.262 -13.531 4.306 1.00 0.34 N ATOM 601 CA LYS A 39 2.090 -13.201 5.718 1.00 0.36 C ATOM 602 C LYS A 39 0.618 -13.326 6.140 1.00 0.33 C ATOM 603 O LYS A 39 -0.272 -13.540 5.320 1.00 0.29 O ATOM 604 CB LYS A 39 2.689 -11.800 5.977 1.00 0.37 C ATOM 605 CG LYS A 39 3.892 -11.895 6.923 1.00 1.31 C ATOM 606 CD LYS A 39 5.116 -12.538 6.245 1.00 0.67 C ATOM 607 CE LYS A 39 6.104 -13.094 7.272 1.00 1.54 C ATOM 608 NZ LYS A 39 5.599 -14.321 7.930 1.00 2.54 N ATOM 0 H LYS A 39 2.319 -12.702 3.714 1.00 0.34 H new ATOM 0 HA LYS A 39 2.629 -13.914 6.342 1.00 0.36 H new ATOM 0 HB2 LYS A 39 2.996 -11.350 5.033 1.00 0.37 H new ATOM 0 HB3 LYS A 39 1.930 -11.148 6.409 1.00 0.37 H new ATOM 0 HG2 LYS A 39 4.156 -10.897 7.274 1.00 1.31 H new ATOM 0 HG3 LYS A 39 3.616 -12.479 7.801 1.00 1.31 H new ATOM 0 HD2 LYS A 39 4.787 -13.341 5.585 1.00 0.67 H new ATOM 0 HD3 LYS A 39 5.617 -11.798 5.621 1.00 0.67 H new ATOM 0 HE2 LYS A 39 7.052 -13.312 6.780 1.00 1.54 H new ATOM 0 HE3 LYS A 39 6.304 -12.335 8.028 1.00 1.54 H new ATOM 0 HZ1 LYS A 39 6.371 -14.773 8.460 1.00 2.54 H new ATOM 0 HZ2 LYS A 39 4.829 -14.073 8.584 1.00 2.54 H new ATOM 0 HZ3 LYS A 39 5.242 -14.980 7.209 1.00 2.54 H new ATOM 622 N SER A 40 0.381 -13.267 7.453 1.00 0.41 N ATOM 623 CA SER A 40 -0.931 -13.546 8.046 1.00 0.40 C ATOM 624 C SER A 40 -1.901 -12.360 7.931 1.00 0.42 C ATOM 625 O SER A 40 -1.493 -11.219 7.718 1.00 0.42 O ATOM 626 CB SER A 40 -0.734 -13.955 9.511 1.00 0.42 C ATOM 627 OG SER A 40 -1.951 -14.415 10.067 1.00 1.76 O ATOM 0 H SER A 40 1.096 -13.023 8.138 1.00 0.41 H new ATOM 0 HA SER A 40 -1.390 -14.362 7.488 1.00 0.40 H new ATOM 0 HB2 SER A 40 0.021 -14.738 9.577 1.00 0.42 H new ATOM 0 HB3 SER A 40 -0.364 -13.105 10.085 1.00 0.42 H new ATOM 0 HG SER A 40 -1.807 -14.673 11.001 1.00 1.76 H new ATOM 633 N ALA A 41 -3.191 -12.616 8.168 1.00 0.49 N ATOM 634 CA ALA A 41 -4.230 -11.594 8.305 1.00 0.53 C ATOM 635 C ALA A 41 -3.887 -10.573 9.400 1.00 0.50 C ATOM 636 O ALA A 41 -4.012 -9.365 9.198 1.00 0.48 O ATOM 637 CB ALA A 41 -5.547 -12.296 8.643 1.00 0.64 C ATOM 0 H ALA A 41 -3.550 -13.565 8.272 1.00 0.49 H new ATOM 0 HA ALA A 41 -4.311 -11.045 7.367 1.00 0.53 H new ATOM 0 HB1 ALA A 41 -6.338 -11.554 8.750 1.00 0.64 H new ATOM 0 HB2 ALA A 41 -5.806 -12.989 7.842 1.00 0.64 H new ATOM 0 HB3 ALA A 41 -5.437 -12.846 9.577 1.00 0.64 H new ATOM 643 N ASP A 42 -3.419 -11.072 10.550 1.00 0.52 N ATOM 644 CA ASP A 42 -2.980 -10.252 11.678 1.00 0.53 C ATOM 645 C ASP A 42 -1.808 -9.332 11.292 1.00 0.49 C ATOM 646 O ASP A 42 -1.747 -8.173 11.705 1.00 0.61 O ATOM 647 CB ASP A 42 -2.584 -11.190 12.826 1.00 0.61 C ATOM 648 CG ASP A 42 -2.188 -10.396 14.068 1.00 2.08 C ATOM 649 OD1 ASP A 42 -3.089 -9.816 14.709 1.00 2.95 O ATOM 650 OD2 ASP A 42 -0.970 -10.338 14.348 1.00 3.51 O ATOM 0 H ASP A 42 -3.335 -12.074 10.723 1.00 0.52 H new ATOM 0 HA ASP A 42 -3.796 -9.600 11.989 1.00 0.53 H new ATOM 0 HB2 ASP A 42 -3.417 -11.852 13.063 1.00 0.61 H new ATOM 0 HB3 ASP A 42 -1.753 -11.822 12.514 1.00 0.61 H new ATOM 655 N ASP A 43 -0.911 -9.842 10.440 1.00 0.42 N ATOM 656 CA ASP A 43 0.183 -9.086 9.845 1.00 0.37 C ATOM 657 C ASP A 43 -0.383 -8.004 8.919 1.00 0.35 C ATOM 658 O ASP A 43 -0.155 -6.826 9.163 1.00 0.39 O ATOM 659 CB ASP A 43 1.140 -10.040 9.116 1.00 0.36 C ATOM 660 CG ASP A 43 2.561 -9.490 9.066 1.00 0.84 C ATOM 661 OD1 ASP A 43 2.762 -8.443 8.412 1.00 2.02 O ATOM 662 OD2 ASP A 43 3.426 -10.143 9.686 1.00 1.73 O ATOM 0 H ASP A 43 -0.932 -10.817 10.142 1.00 0.42 H new ATOM 0 HA ASP A 43 0.759 -8.583 10.622 1.00 0.37 H new ATOM 0 HB2 ASP A 43 1.142 -11.007 9.619 1.00 0.36 H new ATOM 0 HB3 ASP A 43 0.780 -10.210 8.101 1.00 0.36 H new ATOM 667 N VAL A 44 -1.212 -8.380 7.933 1.00 0.33 N ATOM 668 CA VAL A 44 -1.921 -7.493 6.998 1.00 0.35 C ATOM 669 C VAL A 44 -2.682 -6.345 7.697 1.00 0.37 C ATOM 670 O VAL A 44 -2.752 -5.230 7.173 1.00 0.46 O ATOM 671 CB VAL A 44 -2.793 -8.369 6.071 1.00 0.40 C ATOM 672 CG1 VAL A 44 -4.140 -7.769 5.685 1.00 0.75 C ATOM 673 CG2 VAL A 44 -2.033 -8.707 4.780 1.00 0.63 C ATOM 0 H VAL A 44 -1.417 -9.364 7.757 1.00 0.33 H new ATOM 0 HA VAL A 44 -1.198 -6.956 6.384 1.00 0.35 H new ATOM 0 HB VAL A 44 -3.004 -9.259 6.664 1.00 0.40 H new ATOM 0 HG11 VAL A 44 -4.674 -8.461 5.034 1.00 0.75 H new ATOM 0 HG12 VAL A 44 -4.729 -7.589 6.584 1.00 0.75 H new ATOM 0 HG13 VAL A 44 -3.982 -6.827 5.160 1.00 0.75 H new ATOM 0 HG21 VAL A 44 -2.662 -9.325 4.139 1.00 0.63 H new ATOM 0 HG22 VAL A 44 -1.776 -7.786 4.257 1.00 0.63 H new ATOM 0 HG23 VAL A 44 -1.121 -9.251 5.026 1.00 0.63 H new ATOM 683 N LYS A 45 -3.190 -6.569 8.914 1.00 0.36 N ATOM 684 CA LYS A 45 -3.715 -5.533 9.817 1.00 0.42 C ATOM 685 C LYS A 45 -2.643 -4.504 10.224 1.00 0.43 C ATOM 686 O LYS A 45 -2.866 -3.299 10.081 1.00 0.59 O ATOM 687 CB LYS A 45 -4.447 -6.248 10.980 1.00 0.52 C ATOM 688 CG LYS A 45 -4.128 -5.806 12.414 1.00 1.85 C ATOM 689 CD LYS A 45 -4.711 -4.457 12.854 1.00 2.72 C ATOM 690 CE LYS A 45 -6.243 -4.448 12.807 1.00 3.12 C ATOM 691 NZ LYS A 45 -6.784 -3.181 13.347 1.00 4.55 N ATOM 0 H LYS A 45 -3.250 -7.506 9.312 1.00 0.36 H new ATOM 0 HA LYS A 45 -4.447 -4.904 9.311 1.00 0.42 H new ATOM 0 HB2 LYS A 45 -5.519 -6.127 10.824 1.00 0.52 H new ATOM 0 HB3 LYS A 45 -4.233 -7.314 10.904 1.00 0.52 H new ATOM 0 HG2 LYS A 45 -4.489 -6.574 13.097 1.00 1.85 H new ATOM 0 HG3 LYS A 45 -3.045 -5.764 12.526 1.00 1.85 H new ATOM 0 HD2 LYS A 45 -4.379 -4.232 13.867 1.00 2.72 H new ATOM 0 HD3 LYS A 45 -4.324 -3.668 12.209 1.00 2.72 H new ATOM 0 HE2 LYS A 45 -6.579 -4.582 11.779 1.00 3.12 H new ATOM 0 HE3 LYS A 45 -6.633 -5.288 13.382 1.00 3.12 H new ATOM 0 HZ1 LYS A 45 -7.797 -3.112 13.121 1.00 4.55 H new ATOM 0 HZ2 LYS A 45 -6.657 -3.161 14.379 1.00 4.55 H new ATOM 0 HZ3 LYS A 45 -6.279 -2.378 12.921 1.00 4.55 H new ATOM 705 N LYS A 46 -1.482 -4.956 10.715 1.00 0.34 N ATOM 706 CA LYS A 46 -0.336 -4.106 11.085 1.00 0.34 C ATOM 707 C LYS A 46 0.267 -3.426 9.854 1.00 0.36 C ATOM 708 O LYS A 46 0.640 -2.258 9.934 1.00 0.52 O ATOM 709 CB LYS A 46 0.716 -4.946 11.830 1.00 0.38 C ATOM 710 CG LYS A 46 0.230 -5.355 13.234 1.00 0.83 C ATOM 711 CD LYS A 46 0.762 -6.730 13.654 1.00 1.43 C ATOM 712 CE LYS A 46 0.218 -7.079 15.043 1.00 1.63 C ATOM 713 NZ LYS A 46 0.539 -8.472 15.418 1.00 2.31 N ATOM 0 H LYS A 46 -1.306 -5.949 10.871 1.00 0.34 H new ATOM 0 HA LYS A 46 -0.686 -3.316 11.750 1.00 0.34 H new ATOM 0 HB2 LYS A 46 0.945 -5.840 11.250 1.00 0.38 H new ATOM 0 HB3 LYS A 46 1.641 -4.376 11.917 1.00 0.38 H new ATOM 0 HG2 LYS A 46 0.550 -4.607 13.959 1.00 0.83 H new ATOM 0 HG3 LYS A 46 -0.860 -5.369 13.249 1.00 0.83 H new ATOM 0 HD2 LYS A 46 0.458 -7.487 12.931 1.00 1.43 H new ATOM 0 HD3 LYS A 46 1.852 -6.722 13.669 1.00 1.43 H new ATOM 0 HE2 LYS A 46 0.639 -6.397 15.781 1.00 1.63 H new ATOM 0 HE3 LYS A 46 -0.863 -6.937 15.057 1.00 1.63 H new ATOM 0 HZ1 LYS A 46 0.156 -8.674 16.364 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 0.116 -9.124 14.727 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 1.571 -8.600 15.428 1.00 2.31 H new ATOM 727 N VAL A 47 0.279 -4.126 8.715 1.00 0.30 N ATOM 728 CA VAL A 47 0.593 -3.597 7.386 1.00 0.31 C ATOM 729 C VAL A 47 -0.296 -2.394 7.107 1.00 0.35 C ATOM 730 O VAL A 47 0.243 -1.297 7.025 1.00 0.37 O ATOM 731 CB VAL A 47 0.479 -4.680 6.301 1.00 0.37 C ATOM 732 CG1 VAL A 47 0.751 -4.146 4.888 1.00 0.42 C ATOM 733 CG2 VAL A 47 1.416 -5.868 6.581 1.00 0.46 C ATOM 0 H VAL A 47 0.060 -5.122 8.695 1.00 0.30 H new ATOM 0 HA VAL A 47 1.632 -3.269 7.364 1.00 0.31 H new ATOM 0 HB VAL A 47 -0.557 -5.018 6.341 1.00 0.37 H new ATOM 0 HG11 VAL A 47 0.655 -4.958 4.167 1.00 0.42 H new ATOM 0 HG12 VAL A 47 0.031 -3.363 4.650 1.00 0.42 H new ATOM 0 HG13 VAL A 47 1.760 -3.737 4.842 1.00 0.42 H new ATOM 0 HG21 VAL A 47 1.306 -6.612 5.792 1.00 0.46 H new ATOM 0 HG22 VAL A 47 2.448 -5.519 6.609 1.00 0.46 H new ATOM 0 HG23 VAL A 47 1.158 -6.316 7.541 1.00 0.46 H new ATOM 743 N PHE A 48 -1.629 -2.549 7.032 1.00 0.40 N ATOM 744 CA PHE A 48 -2.564 -1.448 6.833 1.00 0.43 C ATOM 745 C PHE A 48 -2.340 -0.263 7.791 1.00 0.37 C ATOM 746 O PHE A 48 -2.267 0.881 7.337 1.00 0.37 O ATOM 747 CB PHE A 48 -3.978 -2.019 6.932 1.00 0.52 C ATOM 748 CG PHE A 48 -5.051 -0.976 6.758 1.00 0.51 C ATOM 749 CD1 PHE A 48 -5.124 -0.250 5.557 1.00 1.71 C ATOM 750 CD2 PHE A 48 -5.960 -0.715 7.800 1.00 1.72 C ATOM 751 CE1 PHE A 48 -6.094 0.749 5.409 1.00 1.85 C ATOM 752 CE2 PHE A 48 -6.956 0.257 7.632 1.00 1.69 C ATOM 753 CZ PHE A 48 -7.011 0.998 6.440 1.00 0.84 C ATOM 0 H PHE A 48 -2.085 -3.458 7.110 1.00 0.40 H new ATOM 0 HA PHE A 48 -2.398 -1.017 5.846 1.00 0.43 H new ATOM 0 HB2 PHE A 48 -4.105 -2.792 6.174 1.00 0.52 H new ATOM 0 HB3 PHE A 48 -4.102 -2.500 7.902 1.00 0.52 H new ATOM 0 HD1 PHE A 48 -4.435 -0.461 4.752 1.00 1.71 H new ATOM 0 HD2 PHE A 48 -5.890 -1.263 8.728 1.00 1.72 H new ATOM 0 HE1 PHE A 48 -6.136 1.329 4.499 1.00 1.85 H new ATOM 0 HE2 PHE A 48 -7.678 0.435 8.415 1.00 1.69 H new ATOM 0 HZ PHE A 48 -7.763 1.763 6.317 1.00 0.84 H new ATOM 763 N HIS A 49 -2.157 -0.528 9.095 1.00 0.37 N ATOM 764 CA HIS A 49 -1.813 0.513 10.073 1.00 0.36 C ATOM 765 C HIS A 49 -0.537 1.294 9.707 1.00 0.41 C ATOM 766 O HIS A 49 -0.447 2.477 10.021 1.00 0.75 O ATOM 767 CB HIS A 49 -1.630 -0.096 11.472 1.00 0.49 C ATOM 768 CG HIS A 49 -2.875 -0.514 12.217 1.00 1.32 C ATOM 769 ND1 HIS A 49 -2.921 -0.742 13.573 1.00 2.10 N ATOM 770 CD2 HIS A 49 -4.140 -0.697 11.723 1.00 2.80 C ATOM 771 CE1 HIS A 49 -4.188 -1.038 13.896 1.00 3.05 C ATOM 772 NE2 HIS A 49 -4.968 -1.044 12.802 1.00 3.56 N ATOM 0 H HIS A 49 -2.243 -1.462 9.497 1.00 0.37 H new ATOM 0 HA HIS A 49 -2.648 1.213 10.065 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -0.985 -0.970 11.377 1.00 0.49 H new ATOM 0 HB3 HIS A 49 -1.097 0.628 12.087 1.00 0.49 H new ATOM 0 HD1 HIS A 49 -2.132 -0.694 14.218 1.00 2.10 H new ATOM 0 HD2 HIS A 49 -4.444 -0.593 10.692 1.00 2.80 H new ATOM 0 HE1 HIS A 49 -4.534 -1.243 14.898 1.00 3.05 H new ATOM 780 N MET A 50 0.459 0.661 9.078 1.00 0.31 N ATOM 781 CA MET A 50 1.751 1.281 8.772 1.00 0.45 C ATOM 782 C MET A 50 1.656 2.385 7.700 1.00 0.45 C ATOM 783 O MET A 50 2.399 3.364 7.764 1.00 0.59 O ATOM 784 CB MET A 50 2.736 0.173 8.368 1.00 0.60 C ATOM 785 CG MET A 50 4.193 0.612 8.489 1.00 0.79 C ATOM 786 SD MET A 50 4.783 0.953 10.172 1.00 1.17 S ATOM 787 CE MET A 50 5.008 2.746 10.028 1.00 1.49 C ATOM 0 H MET A 50 0.389 -0.307 8.764 1.00 0.31 H new ATOM 0 HA MET A 50 2.111 1.791 9.665 1.00 0.45 H new ATOM 0 HB2 MET A 50 2.570 -0.702 8.996 1.00 0.60 H new ATOM 0 HB3 MET A 50 2.535 -0.130 7.340 1.00 0.60 H new ATOM 0 HG2 MET A 50 4.823 -0.164 8.054 1.00 0.79 H new ATOM 0 HG3 MET A 50 4.333 1.510 7.887 1.00 0.79 H new ATOM 0 HE1 MET A 50 5.371 3.144 10.975 1.00 1.49 H new ATOM 0 HE2 MET A 50 5.733 2.960 9.243 1.00 1.49 H new ATOM 0 HE3 MET A 50 4.055 3.213 9.779 1.00 1.49 H new ATOM 797 N LEU A 51 0.728 2.249 6.742 1.00 0.38 N ATOM 798 CA LEU A 51 0.352 3.272 5.754 1.00 0.37 C ATOM 799 C LEU A 51 -0.446 4.401 6.411 1.00 0.47 C ATOM 800 O LEU A 51 -0.213 5.579 6.146 1.00 0.62 O ATOM 801 CB LEU A 51 -0.556 2.627 4.695 1.00 0.42 C ATOM 802 CG LEU A 51 0.018 1.493 3.819 1.00 0.63 C ATOM 803 CD1 LEU A 51 1.544 1.381 3.812 1.00 2.10 C ATOM 804 CD2 LEU A 51 -0.585 0.151 4.202 1.00 1.86 C ATOM 0 H LEU A 51 0.196 1.386 6.629 1.00 0.38 H new ATOM 0 HA LEU A 51 1.265 3.674 5.315 1.00 0.37 H new ATOM 0 HB2 LEU A 51 -1.435 2.236 5.207 1.00 0.42 H new ATOM 0 HB3 LEU A 51 -0.900 3.418 4.028 1.00 0.42 H new ATOM 0 HG LEU A 51 -0.267 1.769 2.804 1.00 0.63 H new ATOM 0 HD11 LEU A 51 1.845 0.555 3.168 1.00 2.10 H new ATOM 0 HD12 LEU A 51 1.975 2.309 3.437 1.00 2.10 H new ATOM 0 HD13 LEU A 51 1.900 1.199 4.826 1.00 2.10 H new ATOM 0 HD21 LEU A 51 -0.164 -0.631 3.570 1.00 1.86 H new ATOM 0 HD22 LEU A 51 -0.358 -0.065 5.246 1.00 1.86 H new ATOM 0 HD23 LEU A 51 -1.666 0.185 4.065 1.00 1.86 H new ATOM 816 N ASP A 52 -1.421 4.013 7.237 1.00 0.43 N ATOM 817 CA ASP A 52 -2.414 4.881 7.849 1.00 0.43 C ATOM 818 C ASP A 52 -1.791 5.739 8.969 1.00 0.52 C ATOM 819 O ASP A 52 -1.981 5.484 10.159 1.00 0.84 O ATOM 820 CB ASP A 52 -3.576 3.984 8.303 1.00 0.56 C ATOM 821 CG ASP A 52 -4.790 4.799 8.718 1.00 0.74 C ATOM 822 OD1 ASP A 52 -5.449 5.416 7.851 1.00 2.16 O ATOM 823 OD2 ASP A 52 -5.089 4.871 9.917 1.00 1.79 O ATOM 0 H ASP A 52 -1.540 3.036 7.506 1.00 0.43 H new ATOM 0 HA ASP A 52 -2.803 5.615 7.143 1.00 0.43 H new ATOM 0 HB2 ASP A 52 -3.851 3.308 7.493 1.00 0.56 H new ATOM 0 HB3 ASP A 52 -3.251 3.364 9.139 1.00 0.56 H new ATOM 828 N LYS A 53 -1.000 6.754 8.594 1.00 0.54 N ATOM 829 CA LYS A 53 -0.173 7.517 9.541 1.00 0.78 C ATOM 830 C LYS A 53 -0.963 8.257 10.623 1.00 1.00 C ATOM 831 O LYS A 53 -0.461 8.358 11.740 1.00 1.80 O ATOM 832 CB LYS A 53 0.749 8.502 8.818 1.00 1.01 C ATOM 833 CG LYS A 53 1.745 7.813 7.871 1.00 1.18 C ATOM 834 CD LYS A 53 3.013 8.662 7.717 1.00 1.45 C ATOM 835 CE LYS A 53 3.976 8.402 8.886 1.00 2.57 C ATOM 836 NZ LYS A 53 5.116 9.349 8.887 1.00 3.44 N ATOM 0 H LYS A 53 -0.915 7.069 7.628 1.00 0.54 H new ATOM 0 HA LYS A 53 0.421 6.759 10.051 1.00 0.78 H new ATOM 0 HB2 LYS A 53 0.143 9.206 8.248 1.00 1.01 H new ATOM 0 HB3 LYS A 53 1.302 9.082 9.557 1.00 1.01 H new ATOM 0 HG2 LYS A 53 2.004 6.828 8.260 1.00 1.18 H new ATOM 0 HG3 LYS A 53 1.282 7.659 6.896 1.00 1.18 H new ATOM 0 HD2 LYS A 53 3.504 8.426 6.773 1.00 1.45 H new ATOM 0 HD3 LYS A 53 2.749 9.719 7.683 1.00 1.45 H new ATOM 0 HE2 LYS A 53 3.434 8.486 9.828 1.00 2.57 H new ATOM 0 HE3 LYS A 53 4.353 7.381 8.825 1.00 2.57 H new ATOM 0 HZ1 LYS A 53 5.741 9.139 9.691 1.00 3.44 H new ATOM 0 HZ2 LYS A 53 5.649 9.251 7.999 1.00 3.44 H new ATOM 0 HZ3 LYS A 53 4.759 10.322 8.971 1.00 3.44 H new ATOM 850 N ASP A 54 -2.178 8.740 10.330 1.00 0.66 N ATOM 851 CA ASP A 54 -3.056 9.341 11.351 1.00 0.81 C ATOM 852 C ASP A 54 -3.712 8.297 12.280 1.00 0.85 C ATOM 853 O ASP A 54 -4.342 8.666 13.269 1.00 1.13 O ATOM 854 CB ASP A 54 -4.121 10.244 10.693 1.00 0.95 C ATOM 855 CG ASP A 54 -5.372 9.497 10.216 1.00 1.22 C ATOM 856 OD1 ASP A 54 -5.255 8.301 9.856 1.00 1.49 O ATOM 857 OD2 ASP A 54 -6.460 10.098 10.148 1.00 2.16 O ATOM 0 H ASP A 54 -2.579 8.727 9.392 1.00 0.66 H new ATOM 0 HA ASP A 54 -2.417 9.954 11.987 1.00 0.81 H new ATOM 0 HB2 ASP A 54 -4.420 11.012 11.406 1.00 0.95 H new ATOM 0 HB3 ASP A 54 -3.671 10.756 9.842 1.00 0.95 H new ATOM 862 N LYS A 55 -3.562 7.003 11.958 1.00 0.76 N ATOM 863 CA LYS A 55 -4.134 5.837 12.644 1.00 0.91 C ATOM 864 C LYS A 55 -5.673 5.823 12.761 1.00 0.96 C ATOM 865 O LYS A 55 -6.202 5.100 13.606 1.00 1.53 O ATOM 866 CB LYS A 55 -3.375 5.580 13.964 1.00 1.22 C ATOM 867 CG LYS A 55 -1.871 5.315 13.752 1.00 1.56 C ATOM 868 CD LYS A 55 -1.579 3.935 13.136 1.00 2.01 C ATOM 869 CE LYS A 55 -0.155 3.844 12.583 1.00 2.27 C ATOM 870 NZ LYS A 55 0.876 4.126 13.607 1.00 2.66 N ATOM 0 H LYS A 55 -2.998 6.726 11.155 1.00 0.76 H new ATOM 0 HA LYS A 55 -3.972 4.975 11.997 1.00 0.91 H new ATOM 0 HB2 LYS A 55 -3.498 6.441 14.621 1.00 1.22 H new ATOM 0 HB3 LYS A 55 -3.821 4.725 14.473 1.00 1.22 H new ATOM 0 HG2 LYS A 55 -1.460 6.089 13.104 1.00 1.56 H new ATOM 0 HG3 LYS A 55 -1.356 5.395 14.709 1.00 1.56 H new ATOM 0 HD2 LYS A 55 -1.725 3.163 13.891 1.00 2.01 H new ATOM 0 HD3 LYS A 55 -2.292 3.737 12.336 1.00 2.01 H new ATOM 0 HE2 LYS A 55 0.008 2.847 12.174 1.00 2.27 H new ATOM 0 HE3 LYS A 55 -0.044 4.548 11.759 1.00 2.27 H new ATOM 0 HZ1 LYS A 55 1.819 3.936 13.212 1.00 2.66 H new ATOM 0 HZ2 LYS A 55 0.816 5.124 13.894 1.00 2.66 H new ATOM 0 HZ3 LYS A 55 0.718 3.517 14.435 1.00 2.66 H new ATOM 884 N SER A 56 -6.412 6.551 11.905 1.00 0.54 N ATOM 885 CA SER A 56 -7.886 6.474 11.837 1.00 0.55 C ATOM 886 C SER A 56 -8.455 5.166 11.259 1.00 0.49 C ATOM 887 O SER A 56 -9.648 4.907 11.415 1.00 0.61 O ATOM 888 CB SER A 56 -8.466 7.661 11.061 1.00 0.67 C ATOM 889 OG SER A 56 -8.213 7.608 9.666 1.00 0.67 O ATOM 0 H SER A 56 -6.006 7.210 11.240 1.00 0.54 H new ATOM 0 HA SER A 56 -8.197 6.503 12.881 1.00 0.55 H new ATOM 0 HB2 SER A 56 -9.543 7.700 11.225 1.00 0.67 H new ATOM 0 HB3 SER A 56 -8.049 8.585 11.462 1.00 0.67 H new ATOM 0 HG SER A 56 -7.266 7.796 9.498 1.00 0.67 H new ATOM 895 N GLY A 57 -7.636 4.334 10.606 1.00 0.47 N ATOM 896 CA GLY A 57 -8.027 3.058 10.004 1.00 0.56 C ATOM 897 C GLY A 57 -8.654 3.178 8.608 1.00 0.39 C ATOM 898 O GLY A 57 -9.387 2.281 8.200 1.00 0.41 O ATOM 0 H GLY A 57 -6.645 4.540 10.478 1.00 0.47 H new ATOM 0 HA2 GLY A 57 -7.148 2.417 9.940 1.00 0.56 H new ATOM 0 HA3 GLY A 57 -8.737 2.561 10.666 1.00 0.56 H new ATOM 902 N PHE A 58 -8.361 4.258 7.877 1.00 0.35 N ATOM 903 CA PHE A 58 -8.831 4.537 6.513 1.00 0.34 C ATOM 904 C PHE A 58 -7.778 5.345 5.760 1.00 0.38 C ATOM 905 O PHE A 58 -7.507 6.496 6.121 1.00 0.69 O ATOM 906 CB PHE A 58 -10.155 5.315 6.555 1.00 0.38 C ATOM 907 CG PHE A 58 -11.343 4.502 7.033 1.00 0.54 C ATOM 908 CD1 PHE A 58 -11.832 3.444 6.240 1.00 2.09 C ATOM 909 CD2 PHE A 58 -11.951 4.784 8.272 1.00 1.65 C ATOM 910 CE1 PHE A 58 -12.930 2.681 6.676 1.00 2.49 C ATOM 911 CE2 PHE A 58 -13.051 4.022 8.706 1.00 1.67 C ATOM 912 CZ PHE A 58 -13.541 2.972 7.908 1.00 1.48 C ATOM 0 H PHE A 58 -7.760 4.999 8.237 1.00 0.35 H new ATOM 0 HA PHE A 58 -8.996 3.591 5.997 1.00 0.34 H new ATOM 0 HB2 PHE A 58 -10.034 6.179 7.209 1.00 0.38 H new ATOM 0 HB3 PHE A 58 -10.370 5.698 5.557 1.00 0.38 H new ATOM 0 HD1 PHE A 58 -11.362 3.219 5.294 1.00 2.09 H new ATOM 0 HD2 PHE A 58 -11.573 5.586 8.889 1.00 1.65 H new ATOM 0 HE1 PHE A 58 -13.303 1.872 6.065 1.00 2.49 H new ATOM 0 HE2 PHE A 58 -13.520 4.243 9.653 1.00 1.67 H new ATOM 0 HZ PHE A 58 -14.387 2.389 8.242 1.00 1.48 H new ATOM 922 N ILE A 59 -7.175 4.751 4.726 1.00 0.26 N ATOM 923 CA ILE A 59 -6.251 5.483 3.852 1.00 0.29 C ATOM 924 C ILE A 59 -7.062 6.373 2.903 1.00 0.29 C ATOM 925 O ILE A 59 -8.079 5.960 2.345 1.00 0.43 O ATOM 926 CB ILE A 59 -5.320 4.516 3.103 1.00 0.38 C ATOM 927 CG1 ILE A 59 -4.379 3.762 4.067 1.00 0.64 C ATOM 928 CG2 ILE A 59 -4.501 5.207 1.994 1.00 0.63 C ATOM 929 CD1 ILE A 59 -3.752 2.526 3.410 1.00 0.85 C ATOM 0 H ILE A 59 -7.308 3.772 4.474 1.00 0.26 H new ATOM 0 HA ILE A 59 -5.603 6.124 4.450 1.00 0.29 H new ATOM 0 HB ILE A 59 -5.977 3.793 2.621 1.00 0.38 H new ATOM 0 HG12 ILE A 59 -3.589 4.434 4.402 1.00 0.64 H new ATOM 0 HG13 ILE A 59 -4.936 3.458 4.953 1.00 0.64 H new ATOM 0 HG21 ILE A 59 -3.863 4.473 1.502 1.00 0.63 H new ATOM 0 HG22 ILE A 59 -5.178 5.648 1.263 1.00 0.63 H new ATOM 0 HG23 ILE A 59 -3.882 5.989 2.433 1.00 0.63 H new ATOM 0 HD11 ILE A 59 -3.098 2.027 4.125 1.00 0.85 H new ATOM 0 HD12 ILE A 59 -4.540 1.840 3.099 1.00 0.85 H new ATOM 0 HD13 ILE A 59 -3.172 2.832 2.539 1.00 0.85 H new ATOM 941 N GLU A 60 -6.585 7.602 2.729 1.00 0.41 N ATOM 942 CA GLU A 60 -7.223 8.713 2.027 1.00 0.41 C ATOM 943 C GLU A 60 -6.192 9.540 1.239 1.00 0.36 C ATOM 944 O GLU A 60 -4.992 9.392 1.473 1.00 0.35 O ATOM 945 CB GLU A 60 -7.959 9.576 3.062 1.00 0.65 C ATOM 946 CG GLU A 60 -7.052 10.217 4.129 1.00 1.85 C ATOM 947 CD GLU A 60 -7.821 10.355 5.446 1.00 1.47 C ATOM 948 OE1 GLU A 60 -8.893 10.999 5.414 1.00 2.23 O ATOM 949 OE2 GLU A 60 -7.361 9.751 6.445 1.00 1.43 O ATOM 0 H GLU A 60 -5.674 7.868 3.103 1.00 0.41 H new ATOM 0 HA GLU A 60 -7.935 8.328 1.297 1.00 0.41 H new ATOM 0 HB2 GLU A 60 -8.496 10.367 2.539 1.00 0.65 H new ATOM 0 HB3 GLU A 60 -8.706 8.960 3.563 1.00 0.65 H new ATOM 0 HG2 GLU A 60 -6.162 9.605 4.279 1.00 1.85 H new ATOM 0 HG3 GLU A 60 -6.712 11.196 3.791 1.00 1.85 H new ATOM 956 N GLU A 61 -6.649 10.410 0.320 1.00 0.45 N ATOM 957 CA GLU A 61 -5.800 11.047 -0.706 1.00 0.46 C ATOM 958 C GLU A 61 -4.527 11.740 -0.180 1.00 0.43 C ATOM 959 O GLU A 61 -3.493 11.688 -0.843 1.00 0.44 O ATOM 960 CB GLU A 61 -6.607 11.950 -1.647 1.00 0.58 C ATOM 961 CG GLU A 61 -7.294 13.151 -0.992 1.00 1.33 C ATOM 962 CD GLU A 61 -7.930 14.026 -2.077 1.00 1.72 C ATOM 963 OE1 GLU A 61 -9.051 13.673 -2.508 1.00 2.47 O ATOM 964 OE2 GLU A 61 -7.279 15.015 -2.484 1.00 2.45 O ATOM 0 H GLU A 61 -7.627 10.694 0.267 1.00 0.45 H new ATOM 0 HA GLU A 61 -5.419 10.209 -1.290 1.00 0.46 H new ATOM 0 HB2 GLU A 61 -5.940 12.318 -2.427 1.00 0.58 H new ATOM 0 HB3 GLU A 61 -7.368 11.343 -2.138 1.00 0.58 H new ATOM 0 HG2 GLU A 61 -8.056 12.811 -0.291 1.00 1.33 H new ATOM 0 HG3 GLU A 61 -6.570 13.731 -0.419 1.00 1.33 H new ATOM 971 N ASP A 62 -4.588 12.309 1.029 1.00 0.47 N ATOM 972 CA ASP A 62 -3.464 12.913 1.750 1.00 0.53 C ATOM 973 C ASP A 62 -2.309 11.919 1.979 1.00 0.48 C ATOM 974 O ASP A 62 -1.173 12.185 1.593 1.00 0.62 O ATOM 975 CB ASP A 62 -4.001 13.472 3.078 1.00 0.66 C ATOM 976 CG ASP A 62 -2.956 14.309 3.818 1.00 1.85 C ATOM 977 OD1 ASP A 62 -2.176 13.707 4.589 1.00 3.15 O ATOM 978 OD2 ASP A 62 -2.958 15.541 3.603 1.00 2.50 O ATOM 0 H ASP A 62 -5.461 12.363 1.554 1.00 0.47 H new ATOM 0 HA ASP A 62 -3.040 13.716 1.148 1.00 0.53 H new ATOM 0 HB2 ASP A 62 -4.882 14.084 2.883 1.00 0.66 H new ATOM 0 HB3 ASP A 62 -4.320 12.647 3.715 1.00 0.66 H new ATOM 983 N GLU A 63 -2.605 10.746 2.555 1.00 0.40 N ATOM 984 CA GLU A 63 -1.633 9.671 2.780 1.00 0.40 C ATOM 985 C GLU A 63 -1.281 8.995 1.453 1.00 0.35 C ATOM 986 O GLU A 63 -0.120 8.708 1.174 1.00 0.37 O ATOM 987 CB GLU A 63 -2.244 8.606 3.700 1.00 0.50 C ATOM 988 CG GLU A 63 -2.469 9.064 5.150 1.00 0.61 C ATOM 989 CD GLU A 63 -3.279 8.034 5.945 1.00 1.08 C ATOM 990 OE1 GLU A 63 -3.689 7.006 5.369 1.00 2.53 O ATOM 991 OE2 GLU A 63 -3.588 8.274 7.139 1.00 1.55 O ATOM 0 H GLU A 63 -3.543 10.515 2.883 1.00 0.40 H new ATOM 0 HA GLU A 63 -0.741 10.104 3.232 1.00 0.40 H new ATOM 0 HB2 GLU A 63 -3.199 8.288 3.281 1.00 0.50 H new ATOM 0 HB3 GLU A 63 -1.592 7.733 3.706 1.00 0.50 H new ATOM 0 HG2 GLU A 63 -1.506 9.225 5.635 1.00 0.61 H new ATOM 0 HG3 GLU A 63 -2.991 10.021 5.154 1.00 0.61 H new ATOM 998 N LEU A 64 -2.309 8.746 0.634 1.00 0.34 N ATOM 999 CA LEU A 64 -2.288 8.032 -0.633 1.00 0.37 C ATOM 1000 C LEU A 64 -1.368 8.670 -1.690 1.00 0.43 C ATOM 1001 O LEU A 64 -0.998 7.994 -2.642 1.00 0.76 O ATOM 1002 CB LEU A 64 -3.751 7.954 -1.077 1.00 0.57 C ATOM 1003 CG LEU A 64 -4.088 6.970 -2.199 1.00 0.51 C ATOM 1004 CD1 LEU A 64 -5.426 6.276 -1.901 1.00 1.03 C ATOM 1005 CD2 LEU A 64 -4.233 7.702 -3.533 1.00 1.05 C ATOM 0 H LEU A 64 -3.249 9.067 0.865 1.00 0.34 H new ATOM 0 HA LEU A 64 -1.855 7.039 -0.510 1.00 0.37 H new ATOM 0 HB2 LEU A 64 -4.355 7.695 -0.207 1.00 0.57 H new ATOM 0 HB3 LEU A 64 -4.061 8.949 -1.396 1.00 0.57 H new ATOM 0 HG LEU A 64 -3.279 6.242 -2.258 1.00 0.51 H new ATOM 0 HD11 LEU A 64 -5.660 5.577 -2.704 1.00 1.03 H new ATOM 0 HD12 LEU A 64 -5.353 5.734 -0.958 1.00 1.03 H new ATOM 0 HD13 LEU A 64 -6.216 7.024 -1.830 1.00 1.03 H new ATOM 0 HD21 LEU A 64 -4.473 6.984 -4.318 1.00 1.05 H new ATOM 0 HD22 LEU A 64 -5.033 8.439 -3.459 1.00 1.05 H new ATOM 0 HD23 LEU A 64 -3.297 8.206 -3.775 1.00 1.05 H new ATOM 1017 N GLY A 65 -0.927 9.920 -1.500 1.00 0.32 N ATOM 1018 CA GLY A 65 0.137 10.526 -2.301 1.00 0.38 C ATOM 1019 C GLY A 65 1.551 10.000 -1.998 1.00 0.34 C ATOM 1020 O GLY A 65 2.430 10.153 -2.841 1.00 0.41 O ATOM 0 H GLY A 65 -1.302 10.540 -0.782 1.00 0.32 H new ATOM 0 HA2 GLY A 65 -0.080 10.357 -3.356 1.00 0.38 H new ATOM 0 HA3 GLY A 65 0.124 11.604 -2.142 1.00 0.38 H new ATOM 1024 N PHE A 66 1.804 9.398 -0.826 1.00 0.33 N ATOM 1025 CA PHE A 66 3.143 8.953 -0.390 1.00 0.36 C ATOM 1026 C PHE A 66 3.089 7.738 0.567 1.00 0.35 C ATOM 1027 O PHE A 66 3.968 7.526 1.405 1.00 0.45 O ATOM 1028 CB PHE A 66 3.917 10.149 0.194 1.00 0.39 C ATOM 1029 CG PHE A 66 3.396 10.706 1.509 1.00 0.41 C ATOM 1030 CD1 PHE A 66 2.294 11.582 1.536 1.00 1.55 C ATOM 1031 CD2 PHE A 66 4.040 10.370 2.714 1.00 1.49 C ATOM 1032 CE1 PHE A 66 1.842 12.110 2.758 1.00 1.60 C ATOM 1033 CE2 PHE A 66 3.591 10.898 3.937 1.00 1.68 C ATOM 1034 CZ PHE A 66 2.488 11.769 3.958 1.00 0.95 C ATOM 0 H PHE A 66 1.074 9.202 -0.141 1.00 0.33 H new ATOM 0 HA PHE A 66 3.687 8.589 -1.262 1.00 0.36 H new ATOM 0 HB2 PHE A 66 4.955 9.849 0.336 1.00 0.39 H new ATOM 0 HB3 PHE A 66 3.915 10.952 -0.543 1.00 0.39 H new ATOM 0 HD1 PHE A 66 1.795 11.849 0.616 1.00 1.55 H new ATOM 0 HD2 PHE A 66 4.887 9.700 2.699 1.00 1.49 H new ATOM 0 HE1 PHE A 66 0.995 12.780 2.774 1.00 1.60 H new ATOM 0 HE2 PHE A 66 4.092 10.635 4.857 1.00 1.68 H new ATOM 0 HZ PHE A 66 2.138 12.175 4.895 1.00 0.95 H new ATOM 1044 N ILE A 67 2.057 6.906 0.398 1.00 0.35 N ATOM 1045 CA ILE A 67 1.604 5.780 1.237 1.00 0.35 C ATOM 1046 C ILE A 67 2.746 4.803 1.504 1.00 0.36 C ATOM 1047 O ILE A 67 2.934 4.325 2.622 1.00 0.39 O ATOM 1048 CB ILE A 67 0.283 5.219 0.634 1.00 0.57 C ATOM 1049 CG1 ILE A 67 -0.104 3.805 1.073 1.00 1.08 C ATOM 1050 CG2 ILE A 67 0.108 5.313 -0.887 1.00 1.01 C ATOM 1051 CD1 ILE A 67 0.669 2.650 0.427 1.00 0.67 C ATOM 0 H ILE A 67 1.451 7.012 -0.415 1.00 0.35 H new ATOM 0 HA ILE A 67 1.337 6.087 2.248 1.00 0.35 H new ATOM 0 HB ILE A 67 -0.403 5.935 1.086 1.00 0.57 H new ATOM 0 HG12 ILE A 67 0.022 3.737 2.154 1.00 1.08 H new ATOM 0 HG13 ILE A 67 -1.165 3.663 0.867 1.00 1.08 H new ATOM 0 HG21 ILE A 67 -0.854 4.886 -1.170 1.00 1.01 H new ATOM 0 HG22 ILE A 67 0.145 6.358 -1.194 1.00 1.01 H new ATOM 0 HG23 ILE A 67 0.908 4.762 -1.380 1.00 1.01 H new ATOM 0 HD11 ILE A 67 0.302 1.702 0.820 1.00 0.67 H new ATOM 0 HD12 ILE A 67 0.525 2.675 -0.653 1.00 0.67 H new ATOM 0 HD13 ILE A 67 1.730 2.751 0.654 1.00 0.67 H new ATOM 1063 N LEU A 68 3.581 4.602 0.493 1.00 0.41 N ATOM 1064 CA LEU A 68 4.751 3.749 0.490 1.00 0.52 C ATOM 1065 C LEU A 68 5.785 4.120 1.568 1.00 0.45 C ATOM 1066 O LEU A 68 6.558 3.244 1.955 1.00 0.49 O ATOM 1067 CB LEU A 68 5.361 3.644 -0.931 1.00 0.80 C ATOM 1068 CG LEU A 68 4.685 4.385 -2.112 1.00 1.21 C ATOM 1069 CD1 LEU A 68 3.377 3.704 -2.499 1.00 2.46 C ATOM 1070 CD2 LEU A 68 4.503 5.904 -1.967 1.00 3.89 C ATOM 0 H LEU A 68 3.445 5.065 -0.406 1.00 0.41 H new ATOM 0 HA LEU A 68 4.414 2.751 0.771 1.00 0.52 H new ATOM 0 HB2 LEU A 68 6.390 3.998 -0.871 1.00 0.80 H new ATOM 0 HB3 LEU A 68 5.402 2.586 -1.191 1.00 0.80 H new ATOM 0 HG LEU A 68 5.410 4.300 -2.921 1.00 1.21 H new ATOM 0 HD11 LEU A 68 2.919 4.241 -3.330 1.00 2.46 H new ATOM 0 HD12 LEU A 68 3.577 2.675 -2.798 1.00 2.46 H new ATOM 0 HD13 LEU A 68 2.698 3.709 -1.646 1.00 2.46 H new ATOM 0 HD21 LEU A 68 4.019 6.299 -2.860 1.00 3.89 H new ATOM 0 HD22 LEU A 68 3.884 6.115 -1.095 1.00 3.89 H new ATOM 0 HD23 LEU A 68 5.477 6.377 -1.843 1.00 3.89 H new ATOM 1082 N LYS A 69 5.765 5.351 2.121 1.00 0.43 N ATOM 1083 CA LYS A 69 6.600 5.717 3.280 1.00 0.53 C ATOM 1084 C LYS A 69 6.289 4.887 4.526 1.00 0.59 C ATOM 1085 O LYS A 69 7.143 4.810 5.408 1.00 0.83 O ATOM 1086 CB LYS A 69 6.505 7.214 3.625 1.00 0.67 C ATOM 1087 CG LYS A 69 7.439 8.080 2.763 1.00 0.82 C ATOM 1088 CD LYS A 69 7.849 9.390 3.461 1.00 1.49 C ATOM 1089 CE LYS A 69 8.807 9.176 4.647 1.00 1.44 C ATOM 1090 NZ LYS A 69 10.131 8.668 4.220 1.00 2.60 N ATOM 0 H LYS A 69 5.176 6.110 1.780 1.00 0.43 H new ATOM 0 HA LYS A 69 7.621 5.494 2.969 1.00 0.53 H new ATOM 0 HB2 LYS A 69 5.477 7.550 3.490 1.00 0.67 H new ATOM 0 HB3 LYS A 69 6.751 7.357 4.677 1.00 0.67 H new ATOM 0 HG2 LYS A 69 8.334 7.508 2.518 1.00 0.82 H new ATOM 0 HG3 LYS A 69 6.943 8.315 1.821 1.00 0.82 H new ATOM 0 HD2 LYS A 69 8.325 10.048 2.733 1.00 1.49 H new ATOM 0 HD3 LYS A 69 6.953 9.901 3.814 1.00 1.49 H new ATOM 0 HE2 LYS A 69 8.937 10.118 5.180 1.00 1.44 H new ATOM 0 HE3 LYS A 69 8.360 8.472 5.349 1.00 1.44 H new ATOM 0 HZ1 LYS A 69 10.776 8.653 5.035 1.00 2.60 H new ATOM 0 HZ2 LYS A 69 10.028 7.705 3.842 1.00 2.60 H new ATOM 0 HZ3 LYS A 69 10.520 9.289 3.482 1.00 2.60 H new ATOM 1104 N GLY A 70 5.111 4.258 4.597 1.00 0.45 N ATOM 1105 CA GLY A 70 4.822 3.254 5.613 1.00 0.49 C ATOM 1106 C GLY A 70 5.570 1.950 5.374 1.00 0.50 C ATOM 1107 O GLY A 70 6.136 1.388 6.308 1.00 0.71 O ATOM 0 H GLY A 70 4.339 4.433 3.954 1.00 0.45 H new ATOM 0 HA2 GLY A 70 5.089 3.647 6.594 1.00 0.49 H new ATOM 0 HA3 GLY A 70 3.750 3.056 5.629 1.00 0.49 H new ATOM 1111 N PHE A 71 5.607 1.478 4.126 1.00 0.42 N ATOM 1112 CA PHE A 71 6.369 0.288 3.777 1.00 0.43 C ATOM 1113 C PHE A 71 7.876 0.483 4.004 1.00 0.42 C ATOM 1114 O PHE A 71 8.495 -0.428 4.554 1.00 0.51 O ATOM 1115 CB PHE A 71 6.066 -0.148 2.338 1.00 0.45 C ATOM 1116 CG PHE A 71 4.616 -0.520 2.044 1.00 0.49 C ATOM 1117 CD1 PHE A 71 3.953 -1.504 2.807 1.00 1.49 C ATOM 1118 CD2 PHE A 71 3.948 0.052 0.941 1.00 1.62 C ATOM 1119 CE1 PHE A 71 2.645 -1.897 2.472 1.00 1.46 C ATOM 1120 CE2 PHE A 71 2.625 -0.315 0.634 1.00 1.82 C ATOM 1121 CZ PHE A 71 1.977 -1.306 1.388 1.00 0.92 C ATOM 0 H PHE A 71 5.115 1.907 3.342 1.00 0.42 H new ATOM 0 HA PHE A 71 6.054 -0.513 4.445 1.00 0.43 H new ATOM 0 HB2 PHE A 71 6.357 0.659 1.666 1.00 0.45 H new ATOM 0 HB3 PHE A 71 6.696 -1.005 2.099 1.00 0.45 H new ATOM 0 HD1 PHE A 71 4.452 -1.957 3.651 1.00 1.49 H new ATOM 0 HD2 PHE A 71 4.457 0.779 0.326 1.00 1.62 H new ATOM 0 HE1 PHE A 71 2.150 -2.660 3.054 1.00 1.46 H new ATOM 0 HE2 PHE A 71 2.107 0.166 -0.183 1.00 1.82 H new ATOM 0 HZ PHE A 71 0.972 -1.611 1.136 1.00 0.92 H new ATOM 1131 N SER A 72 8.471 1.623 3.594 1.00 0.37 N ATOM 1132 CA SER A 72 9.902 1.917 3.784 1.00 0.34 C ATOM 1133 C SER A 72 10.276 3.322 3.277 1.00 0.39 C ATOM 1134 O SER A 72 9.450 3.978 2.639 1.00 0.46 O ATOM 1135 CB SER A 72 10.715 0.866 3.018 1.00 0.35 C ATOM 1136 OG SER A 72 11.559 0.157 3.901 1.00 0.70 O ATOM 0 H SER A 72 7.965 2.370 3.118 1.00 0.37 H new ATOM 0 HA SER A 72 10.123 1.886 4.851 1.00 0.34 H new ATOM 0 HB2 SER A 72 10.042 0.173 2.513 1.00 0.35 H new ATOM 0 HB3 SER A 72 11.312 1.351 2.245 1.00 0.35 H new ATOM 0 HG SER A 72 11.014 -0.363 4.528 1.00 0.70 H new ATOM 1142 N PRO A 73 11.514 3.811 3.499 1.00 0.39 N ATOM 1143 CA PRO A 73 12.004 5.002 2.813 1.00 0.44 C ATOM 1144 C PRO A 73 12.216 4.761 1.305 1.00 0.45 C ATOM 1145 O PRO A 73 12.111 3.648 0.798 1.00 0.43 O ATOM 1146 CB PRO A 73 13.293 5.391 3.547 1.00 0.46 C ATOM 1147 CG PRO A 73 13.824 4.051 4.049 1.00 0.44 C ATOM 1148 CD PRO A 73 12.552 3.268 4.367 1.00 0.41 C ATOM 0 HA PRO A 73 11.278 5.814 2.846 1.00 0.44 H new ATOM 0 HB2 PRO A 73 14.003 5.882 2.882 1.00 0.46 H new ATOM 0 HB3 PRO A 73 13.097 6.080 4.368 1.00 0.46 H new ATOM 0 HG2 PRO A 73 14.428 3.549 3.293 1.00 0.44 H new ATOM 0 HG3 PRO A 73 14.453 4.172 4.931 1.00 0.44 H new ATOM 0 HD2 PRO A 73 12.694 2.203 4.185 1.00 0.41 H new ATOM 0 HD3 PRO A 73 12.279 3.378 5.417 1.00 0.41 H new ATOM 1156 N ASP A 74 12.482 5.862 0.596 1.00 0.51 N ATOM 1157 CA ASP A 74 12.603 5.998 -0.873 1.00 0.57 C ATOM 1158 C ASP A 74 11.301 5.697 -1.647 1.00 0.59 C ATOM 1159 O ASP A 74 11.289 5.511 -2.858 1.00 0.81 O ATOM 1160 CB ASP A 74 13.844 5.257 -1.409 1.00 0.69 C ATOM 1161 CG ASP A 74 14.330 5.789 -2.767 1.00 1.62 C ATOM 1162 OD1 ASP A 74 14.012 6.955 -3.112 1.00 2.73 O ATOM 1163 OD2 ASP A 74 15.087 5.063 -3.441 1.00 2.48 O ATOM 0 H ASP A 74 12.631 6.756 1.064 1.00 0.51 H new ATOM 0 HA ASP A 74 12.768 7.057 -1.071 1.00 0.57 H new ATOM 0 HB2 ASP A 74 14.652 5.343 -0.683 1.00 0.69 H new ATOM 0 HB3 ASP A 74 13.612 4.196 -1.504 1.00 0.69 H new ATOM 1168 N ALA A 75 10.185 5.716 -0.919 1.00 0.57 N ATOM 1169 CA ALA A 75 8.796 5.629 -1.347 1.00 0.69 C ATOM 1170 C ALA A 75 8.360 6.652 -2.412 1.00 0.94 C ATOM 1171 O ALA A 75 7.716 6.284 -3.391 1.00 1.90 O ATOM 1172 CB ALA A 75 8.012 5.872 -0.064 1.00 0.64 C ATOM 0 H ALA A 75 10.243 5.802 0.096 1.00 0.57 H new ATOM 0 HA ALA A 75 8.626 4.667 -1.831 1.00 0.69 H new ATOM 0 HB1 ALA A 75 6.944 5.827 -0.276 1.00 0.64 H new ATOM 0 HB2 ALA A 75 8.268 5.107 0.669 1.00 0.64 H new ATOM 0 HB3 ALA A 75 8.262 6.855 0.334 1.00 0.64 H new ATOM 1178 N ARG A 76 8.713 7.925 -2.182 1.00 0.55 N ATOM 1179 CA ARG A 76 8.421 9.126 -2.991 1.00 0.53 C ATOM 1180 C ARG A 76 6.938 9.513 -3.062 1.00 0.46 C ATOM 1181 O ARG A 76 6.061 8.861 -2.499 1.00 0.60 O ATOM 1182 CB ARG A 76 9.066 9.031 -4.397 1.00 0.67 C ATOM 1183 CG ARG A 76 10.472 8.434 -4.310 1.00 0.63 C ATOM 1184 CD ARG A 76 11.400 8.768 -5.475 1.00 0.81 C ATOM 1185 NE ARG A 76 12.783 8.407 -5.110 1.00 1.62 N ATOM 1186 CZ ARG A 76 13.910 8.992 -5.479 1.00 1.99 C ATOM 1187 NH1 ARG A 76 13.948 9.959 -6.365 1.00 2.23 N ATOM 1188 NH2 ARG A 76 15.023 8.597 -4.919 1.00 2.84 N ATOM 0 H ARG A 76 9.258 8.166 -1.354 1.00 0.55 H new ATOM 0 HA ARG A 76 8.889 9.951 -2.453 1.00 0.53 H new ATOM 0 HB2 ARG A 76 8.444 8.415 -5.047 1.00 0.67 H new ATOM 0 HB3 ARG A 76 9.114 10.022 -4.848 1.00 0.67 H new ATOM 0 HG2 ARG A 76 10.938 8.778 -3.387 1.00 0.63 H new ATOM 0 HG3 ARG A 76 10.384 7.350 -4.237 1.00 0.63 H new ATOM 0 HD2 ARG A 76 11.093 8.224 -6.368 1.00 0.81 H new ATOM 0 HD3 ARG A 76 11.339 9.830 -5.712 1.00 0.81 H new ATOM 0 HE ARG A 76 12.883 7.601 -4.493 1.00 1.62 H new ATOM 0 HH11 ARG A 76 13.085 10.288 -6.799 1.00 2.23 H new ATOM 0 HH12 ARG A 76 14.840 10.382 -6.620 1.00 2.23 H new ATOM 0 HH21 ARG A 76 15.006 7.856 -4.218 1.00 2.84 H new ATOM 0 HH22 ARG A 76 15.908 9.029 -5.183 1.00 2.84 H new ATOM 1202 N ASP A 77 6.695 10.647 -3.713 1.00 0.45 N ATOM 1203 CA ASP A 77 5.408 11.217 -4.078 1.00 0.42 C ATOM 1204 C ASP A 77 4.882 10.600 -5.384 1.00 0.44 C ATOM 1205 O ASP A 77 5.453 10.778 -6.460 1.00 0.52 O ATOM 1206 CB ASP A 77 5.536 12.752 -4.171 1.00 0.49 C ATOM 1207 CG ASP A 77 6.695 13.267 -5.047 1.00 2.14 C ATOM 1208 OD1 ASP A 77 7.842 12.799 -4.832 1.00 3.43 O ATOM 1209 OD2 ASP A 77 6.438 14.173 -5.867 1.00 3.16 O ATOM 0 H ASP A 77 7.464 11.240 -4.025 1.00 0.45 H new ATOM 0 HA ASP A 77 4.675 10.981 -3.306 1.00 0.42 H new ATOM 0 HB2 ASP A 77 4.601 13.155 -4.561 1.00 0.49 H new ATOM 0 HB3 ASP A 77 5.659 13.151 -3.164 1.00 0.49 H new ATOM 1214 N LEU A 78 3.786 9.849 -5.275 1.00 0.44 N ATOM 1215 CA LEU A 78 3.037 9.292 -6.406 1.00 0.53 C ATOM 1216 C LEU A 78 2.390 10.394 -7.259 1.00 0.50 C ATOM 1217 O LEU A 78 2.059 11.476 -6.771 1.00 0.50 O ATOM 1218 CB LEU A 78 1.948 8.326 -5.900 1.00 0.63 C ATOM 1219 CG LEU A 78 2.456 7.267 -4.890 1.00 0.62 C ATOM 1220 CD1 LEU A 78 1.330 6.342 -4.427 1.00 0.98 C ATOM 1221 CD2 LEU A 78 3.648 6.460 -5.430 1.00 1.23 C ATOM 0 H LEU A 78 3.381 9.603 -4.372 1.00 0.44 H new ATOM 0 HA LEU A 78 3.747 8.751 -7.032 1.00 0.53 H new ATOM 0 HB2 LEU A 78 1.153 8.906 -5.431 1.00 0.63 H new ATOM 0 HB3 LEU A 78 1.507 7.814 -6.755 1.00 0.63 H new ATOM 0 HG LEU A 78 2.814 7.820 -4.022 1.00 0.62 H new ATOM 0 HD11 LEU A 78 1.726 5.613 -3.720 1.00 0.98 H new ATOM 0 HD12 LEU A 78 0.551 6.931 -3.943 1.00 0.98 H new ATOM 0 HD13 LEU A 78 0.910 5.821 -5.288 1.00 0.98 H new ATOM 0 HD21 LEU A 78 3.964 5.733 -4.682 1.00 1.23 H new ATOM 0 HD22 LEU A 78 3.352 5.939 -6.341 1.00 1.23 H new ATOM 0 HD23 LEU A 78 4.475 7.135 -5.651 1.00 1.23 H new ATOM 1233 N SER A 79 2.167 10.108 -8.548 1.00 0.56 N ATOM 1234 CA SER A 79 1.575 11.090 -9.464 1.00 0.58 C ATOM 1235 C SER A 79 0.074 11.301 -9.210 1.00 0.57 C ATOM 1236 O SER A 79 -0.633 10.396 -8.770 1.00 0.58 O ATOM 1237 CB SER A 79 1.833 10.700 -10.925 1.00 0.71 C ATOM 1238 OG SER A 79 0.901 9.747 -11.392 1.00 1.58 O ATOM 0 H SER A 79 2.386 9.209 -8.978 1.00 0.56 H new ATOM 0 HA SER A 79 2.066 12.043 -9.266 1.00 0.58 H new ATOM 0 HB2 SER A 79 1.785 11.591 -11.552 1.00 0.71 H new ATOM 0 HB3 SER A 79 2.841 10.297 -11.020 1.00 0.71 H new ATOM 0 HG SER A 79 1.264 9.293 -12.181 1.00 1.58 H new ATOM 1244 N ALA A 80 -0.451 12.475 -9.582 1.00 0.61 N ATOM 1245 CA ALA A 80 -1.875 12.791 -9.438 1.00 0.63 C ATOM 1246 C ALA A 80 -2.796 11.840 -10.230 1.00 0.68 C ATOM 1247 O ALA A 80 -3.882 11.500 -9.755 1.00 0.66 O ATOM 1248 CB ALA A 80 -2.092 14.249 -9.852 1.00 0.74 C ATOM 0 H ALA A 80 0.099 13.230 -9.990 1.00 0.61 H new ATOM 0 HA ALA A 80 -2.151 12.649 -8.393 1.00 0.63 H new ATOM 0 HB1 ALA A 80 -3.147 14.503 -9.751 1.00 0.74 H new ATOM 0 HB2 ALA A 80 -1.499 14.901 -9.211 1.00 0.74 H new ATOM 0 HB3 ALA A 80 -1.784 14.382 -10.889 1.00 0.74 H new ATOM 1254 N LYS A 81 -2.352 11.373 -11.413 1.00 0.77 N ATOM 1255 CA LYS A 81 -3.068 10.350 -12.189 1.00 0.81 C ATOM 1256 C LYS A 81 -3.107 9.028 -11.427 1.00 0.81 C ATOM 1257 O LYS A 81 -4.137 8.352 -11.409 1.00 0.81 O ATOM 1258 CB LYS A 81 -2.470 10.078 -13.588 1.00 0.84 C ATOM 1259 CG LYS A 81 -1.761 11.217 -14.340 1.00 0.64 C ATOM 1260 CD LYS A 81 -0.267 11.331 -13.984 1.00 2.39 C ATOM 1261 CE LYS A 81 0.579 11.835 -15.156 1.00 3.37 C ATOM 1262 NZ LYS A 81 0.286 13.248 -15.492 1.00 4.00 N ATOM 0 H LYS A 81 -1.490 11.695 -11.853 1.00 0.77 H new ATOM 0 HA LYS A 81 -4.068 10.758 -12.333 1.00 0.81 H new ATOM 0 HB2 LYS A 81 -1.757 9.260 -13.486 1.00 0.84 H new ATOM 0 HB3 LYS A 81 -3.278 9.719 -14.225 1.00 0.84 H new ATOM 0 HG2 LYS A 81 -1.862 11.055 -15.413 1.00 0.64 H new ATOM 0 HG3 LYS A 81 -2.257 12.160 -14.111 1.00 0.64 H new ATOM 0 HD2 LYS A 81 -0.149 12.008 -13.138 1.00 2.39 H new ATOM 0 HD3 LYS A 81 0.103 10.356 -13.666 1.00 2.39 H new ATOM 0 HE2 LYS A 81 1.636 11.734 -14.909 1.00 3.37 H new ATOM 0 HE3 LYS A 81 0.395 11.210 -16.030 1.00 3.37 H new ATOM 0 HZ1 LYS A 81 0.882 13.546 -16.291 1.00 4.00 H new ATOM 0 HZ2 LYS A 81 -0.716 13.342 -15.754 1.00 4.00 H new ATOM 0 HZ3 LYS A 81 0.486 13.850 -14.668 1.00 4.00 H new ATOM 1276 N GLU A 82 -1.981 8.675 -10.797 1.00 0.79 N ATOM 1277 CA GLU A 82 -1.843 7.446 -10.050 1.00 0.78 C ATOM 1278 C GLU A 82 -2.745 7.482 -8.825 1.00 0.62 C ATOM 1279 O GLU A 82 -3.604 6.618 -8.713 1.00 0.61 O ATOM 1280 CB GLU A 82 -0.370 7.241 -9.701 1.00 0.86 C ATOM 1281 CG GLU A 82 -0.130 5.797 -9.284 1.00 0.93 C ATOM 1282 CD GLU A 82 0.183 5.721 -7.802 1.00 1.72 C ATOM 1283 OE1 GLU A 82 -0.731 5.995 -6.996 1.00 3.22 O ATOM 1284 OE2 GLU A 82 1.347 5.378 -7.518 1.00 2.24 O ATOM 0 H GLU A 82 -1.138 9.249 -10.799 1.00 0.79 H new ATOM 0 HA GLU A 82 -2.162 6.591 -10.647 1.00 0.78 H new ATOM 0 HB2 GLU A 82 0.254 7.489 -10.560 1.00 0.86 H new ATOM 0 HB3 GLU A 82 -0.082 7.914 -8.893 1.00 0.86 H new ATOM 0 HG2 GLU A 82 -1.011 5.196 -9.508 1.00 0.93 H new ATOM 0 HG3 GLU A 82 0.696 5.378 -9.859 1.00 0.93 H new ATOM 1291 N THR A 83 -2.657 8.545 -8.012 1.00 0.58 N ATOM 1292 CA THR A 83 -3.558 8.847 -6.894 1.00 0.59 C ATOM 1293 C THR A 83 -5.027 8.622 -7.266 1.00 0.51 C ATOM 1294 O THR A 83 -5.736 7.921 -6.542 1.00 0.48 O ATOM 1295 CB THR A 83 -3.290 10.281 -6.397 1.00 0.78 C ATOM 1296 OG1 THR A 83 -2.098 10.273 -5.651 1.00 1.48 O ATOM 1297 CG2 THR A 83 -4.373 10.899 -5.508 1.00 1.59 C ATOM 0 H THR A 83 -1.924 9.246 -8.122 1.00 0.58 H new ATOM 0 HA THR A 83 -3.353 8.155 -6.077 1.00 0.59 H new ATOM 0 HB THR A 83 -3.252 10.891 -7.300 1.00 0.78 H new ATOM 0 HG1 THR A 83 -1.909 11.178 -5.327 1.00 1.48 H new ATOM 0 HG21 THR A 83 -4.076 11.907 -5.220 1.00 1.59 H new ATOM 0 HG22 THR A 83 -5.314 10.941 -6.057 1.00 1.59 H new ATOM 0 HG23 THR A 83 -4.501 10.289 -4.614 1.00 1.59 H new ATOM 1305 N LYS A 84 -5.477 9.164 -8.411 1.00 0.54 N ATOM 1306 CA LYS A 84 -6.823 8.936 -8.958 1.00 0.53 C ATOM 1307 C LYS A 84 -7.137 7.449 -9.169 1.00 0.47 C ATOM 1308 O LYS A 84 -8.109 6.945 -8.605 1.00 0.48 O ATOM 1309 CB LYS A 84 -7.021 9.740 -10.261 1.00 0.64 C ATOM 1310 CG LYS A 84 -8.013 10.893 -10.062 1.00 1.28 C ATOM 1311 CD LYS A 84 -8.245 11.645 -11.380 1.00 1.40 C ATOM 1312 CE LYS A 84 -9.330 12.722 -11.244 1.00 2.15 C ATOM 1313 NZ LYS A 84 -8.912 13.830 -10.353 1.00 2.96 N ATOM 0 H LYS A 84 -4.907 9.781 -8.989 1.00 0.54 H new ATOM 0 HA LYS A 84 -7.534 9.294 -8.214 1.00 0.53 H new ATOM 0 HB2 LYS A 84 -6.062 10.137 -10.595 1.00 0.64 H new ATOM 0 HB3 LYS A 84 -7.383 9.078 -11.047 1.00 0.64 H new ATOM 0 HG2 LYS A 84 -8.960 10.504 -9.688 1.00 1.28 H new ATOM 0 HG3 LYS A 84 -7.631 11.581 -9.308 1.00 1.28 H new ATOM 0 HD2 LYS A 84 -7.312 12.108 -11.702 1.00 1.40 H new ATOM 0 HD3 LYS A 84 -8.533 10.936 -12.156 1.00 1.40 H new ATOM 0 HE2 LYS A 84 -9.568 13.121 -12.230 1.00 2.15 H new ATOM 0 HE3 LYS A 84 -10.242 12.269 -10.854 1.00 2.15 H new ATOM 0 HZ1 LYS A 84 -9.676 14.533 -10.291 1.00 2.96 H new ATOM 0 HZ2 LYS A 84 -8.709 13.455 -9.404 1.00 2.96 H new ATOM 0 HZ3 LYS A 84 -8.057 14.281 -10.737 1.00 2.96 H new ATOM 1327 N MET A 85 -6.351 6.755 -9.998 1.00 0.53 N ATOM 1328 CA MET A 85 -6.610 5.349 -10.327 1.00 0.59 C ATOM 1329 C MET A 85 -6.441 4.421 -9.113 1.00 0.58 C ATOM 1330 O MET A 85 -7.208 3.473 -8.960 1.00 0.67 O ATOM 1331 CB MET A 85 -5.729 4.920 -11.508 1.00 0.73 C ATOM 1332 CG MET A 85 -6.172 3.560 -12.062 1.00 1.24 C ATOM 1333 SD MET A 85 -5.431 3.105 -13.653 1.00 1.85 S ATOM 1334 CE MET A 85 -6.373 4.178 -14.774 1.00 2.22 C ATOM 0 H MET A 85 -5.527 7.145 -10.455 1.00 0.53 H new ATOM 0 HA MET A 85 -7.655 5.258 -10.624 1.00 0.59 H new ATOM 0 HB2 MET A 85 -5.781 5.671 -12.296 1.00 0.73 H new ATOM 0 HB3 MET A 85 -4.688 4.864 -11.188 1.00 0.73 H new ATOM 0 HG2 MET A 85 -5.928 2.789 -11.331 1.00 1.24 H new ATOM 0 HG3 MET A 85 -7.257 3.564 -12.171 1.00 1.24 H new ATOM 0 HE1 MET A 85 -6.113 3.943 -15.806 1.00 2.22 H new ATOM 0 HE2 MET A 85 -7.440 4.015 -14.623 1.00 2.22 H new ATOM 0 HE3 MET A 85 -6.132 5.221 -14.567 1.00 2.22 H new ATOM 1344 N LEU A 86 -5.493 4.724 -8.225 1.00 0.55 N ATOM 1345 CA LEU A 86 -5.280 4.073 -6.940 1.00 0.58 C ATOM 1346 C LEU A 86 -6.506 4.206 -6.038 1.00 0.60 C ATOM 1347 O LEU A 86 -7.051 3.177 -5.643 1.00 0.80 O ATOM 1348 CB LEU A 86 -3.995 4.629 -6.299 1.00 0.63 C ATOM 1349 CG LEU A 86 -3.744 4.215 -4.837 1.00 0.89 C ATOM 1350 CD1 LEU A 86 -3.980 2.728 -4.574 1.00 1.79 C ATOM 1351 CD2 LEU A 86 -2.326 4.620 -4.437 1.00 1.77 C ATOM 0 H LEU A 86 -4.819 5.471 -8.396 1.00 0.55 H new ATOM 0 HA LEU A 86 -5.143 3.002 -7.089 1.00 0.58 H new ATOM 0 HB2 LEU A 86 -3.144 4.308 -6.899 1.00 0.63 H new ATOM 0 HB3 LEU A 86 -4.028 5.717 -6.348 1.00 0.63 H new ATOM 0 HG LEU A 86 -4.474 4.740 -4.221 1.00 0.89 H new ATOM 0 HD11 LEU A 86 -3.784 2.509 -3.524 1.00 1.79 H new ATOM 0 HD12 LEU A 86 -5.014 2.476 -4.811 1.00 1.79 H new ATOM 0 HD13 LEU A 86 -3.310 2.137 -5.199 1.00 1.79 H new ATOM 0 HD21 LEU A 86 -2.143 4.329 -3.403 1.00 1.77 H new ATOM 0 HD22 LEU A 86 -1.608 4.120 -5.087 1.00 1.77 H new ATOM 0 HD23 LEU A 86 -2.215 5.700 -4.536 1.00 1.77 H new ATOM 1363 N MET A 87 -6.965 5.423 -5.707 1.00 0.46 N ATOM 1364 CA MET A 87 -8.132 5.554 -4.824 1.00 0.46 C ATOM 1365 C MET A 87 -9.381 4.862 -5.394 1.00 0.56 C ATOM 1366 O MET A 87 -10.159 4.311 -4.623 1.00 0.79 O ATOM 1367 CB MET A 87 -8.400 7.014 -4.422 1.00 0.64 C ATOM 1368 CG MET A 87 -8.952 7.901 -5.541 1.00 1.76 C ATOM 1369 SD MET A 87 -9.403 9.563 -4.983 1.00 1.93 S ATOM 1370 CE MET A 87 -10.037 10.237 -6.538 1.00 2.98 C ATOM 0 H MET A 87 -6.561 6.304 -6.026 1.00 0.46 H new ATOM 0 HA MET A 87 -7.883 5.023 -3.905 1.00 0.46 H new ATOM 0 HB2 MET A 87 -9.105 7.023 -3.590 1.00 0.64 H new ATOM 0 HB3 MET A 87 -7.471 7.451 -4.057 1.00 0.64 H new ATOM 0 HG2 MET A 87 -8.207 7.981 -6.332 1.00 1.76 H new ATOM 0 HG3 MET A 87 -9.829 7.421 -5.976 1.00 1.76 H new ATOM 0 HE1 MET A 87 -10.688 11.086 -6.328 1.00 2.98 H new ATOM 0 HE2 MET A 87 -9.203 10.564 -7.159 1.00 2.98 H new ATOM 0 HE3 MET A 87 -10.602 9.468 -7.064 1.00 2.98 H new ATOM 1380 N ALA A 88 -9.533 4.822 -6.727 1.00 0.51 N ATOM 1381 CA ALA A 88 -10.572 4.045 -7.402 1.00 0.58 C ATOM 1382 C ALA A 88 -10.376 2.521 -7.263 1.00 0.53 C ATOM 1383 O ALA A 88 -11.293 1.830 -6.834 1.00 0.58 O ATOM 1384 CB ALA A 88 -10.628 4.473 -8.874 1.00 0.68 C ATOM 0 H ALA A 88 -8.929 5.335 -7.369 1.00 0.51 H new ATOM 0 HA ALA A 88 -11.525 4.256 -6.917 1.00 0.58 H new ATOM 0 HB1 ALA A 88 -11.399 3.901 -9.390 1.00 0.68 H new ATOM 0 HB2 ALA A 88 -10.862 5.536 -8.935 1.00 0.68 H new ATOM 0 HB3 ALA A 88 -9.662 4.287 -9.344 1.00 0.68 H new ATOM 1390 N ALA A 89 -9.212 1.981 -7.648 1.00 0.52 N ATOM 1391 CA ALA A 89 -8.951 0.540 -7.646 1.00 0.52 C ATOM 1392 C ALA A 89 -8.806 -0.055 -6.236 1.00 0.46 C ATOM 1393 O ALA A 89 -9.290 -1.156 -5.983 1.00 0.56 O ATOM 1394 CB ALA A 89 -7.688 0.269 -8.474 1.00 0.63 C ATOM 0 H ALA A 89 -8.421 2.538 -7.971 1.00 0.52 H new ATOM 0 HA ALA A 89 -9.818 0.047 -8.087 1.00 0.52 H new ATOM 0 HB1 ALA A 89 -7.481 -0.801 -8.482 1.00 0.63 H new ATOM 0 HB2 ALA A 89 -7.841 0.616 -9.496 1.00 0.63 H new ATOM 0 HB3 ALA A 89 -6.844 0.799 -8.034 1.00 0.63 H new ATOM 1400 N GLY A 90 -8.125 0.651 -5.326 1.00 0.44 N ATOM 1401 CA GLY A 90 -7.796 0.174 -3.984 1.00 0.49 C ATOM 1402 C GLY A 90 -8.998 0.140 -3.041 1.00 0.42 C ATOM 1403 O GLY A 90 -9.109 -0.762 -2.210 1.00 0.51 O ATOM 0 H GLY A 90 -7.780 1.593 -5.510 1.00 0.44 H new ATOM 0 HA2 GLY A 90 -7.372 -0.827 -4.056 1.00 0.49 H new ATOM 0 HA3 GLY A 90 -7.026 0.816 -3.557 1.00 0.49 H new ATOM 1407 N ASP A 91 -9.919 1.096 -3.166 1.00 0.38 N ATOM 1408 CA ASP A 91 -11.240 0.974 -2.569 1.00 0.42 C ATOM 1409 C ASP A 91 -12.143 0.136 -3.498 1.00 0.48 C ATOM 1410 O ASP A 91 -12.968 0.647 -4.250 1.00 0.69 O ATOM 1411 CB ASP A 91 -11.827 2.354 -2.301 1.00 0.49 C ATOM 1412 CG ASP A 91 -13.289 2.216 -1.904 1.00 0.72 C ATOM 1413 OD1 ASP A 91 -13.599 1.538 -0.895 1.00 0.76 O ATOM 1414 OD2 ASP A 91 -14.132 2.785 -2.621 1.00 1.22 O ATOM 0 H ASP A 91 -9.769 1.965 -3.678 1.00 0.38 H new ATOM 0 HA ASP A 91 -11.168 0.462 -1.610 1.00 0.42 H new ATOM 0 HB2 ASP A 91 -11.269 2.850 -1.507 1.00 0.49 H new ATOM 0 HB3 ASP A 91 -11.738 2.978 -3.191 1.00 0.49 H new ATOM 1419 N LYS A 92 -12.025 -1.189 -3.417 1.00 0.50 N ATOM 1420 CA LYS A 92 -12.951 -2.105 -4.102 1.00 0.58 C ATOM 1421 C LYS A 92 -14.398 -2.065 -3.597 1.00 0.61 C ATOM 1422 O LYS A 92 -15.293 -2.616 -4.231 1.00 0.75 O ATOM 1423 CB LYS A 92 -12.422 -3.532 -4.024 1.00 0.75 C ATOM 1424 CG LYS A 92 -11.996 -4.014 -2.627 1.00 2.23 C ATOM 1425 CD LYS A 92 -11.419 -5.442 -2.642 1.00 3.30 C ATOM 1426 CE LYS A 92 -12.439 -6.532 -2.320 1.00 4.81 C ATOM 1427 NZ LYS A 92 -11.783 -7.861 -2.348 1.00 5.80 N ATOM 0 H LYS A 92 -11.295 -1.659 -2.882 1.00 0.50 H new ATOM 0 HA LYS A 92 -12.991 -1.754 -5.133 1.00 0.58 H new ATOM 0 HB2 LYS A 92 -13.192 -4.206 -4.401 1.00 0.75 H new ATOM 0 HB3 LYS A 92 -11.567 -3.619 -4.694 1.00 0.75 H new ATOM 0 HG2 LYS A 92 -11.250 -3.329 -2.223 1.00 2.23 H new ATOM 0 HG3 LYS A 92 -12.856 -3.981 -1.958 1.00 2.23 H new ATOM 0 HD2 LYS A 92 -10.992 -5.639 -3.625 1.00 3.30 H new ATOM 0 HD3 LYS A 92 -10.603 -5.500 -1.922 1.00 3.30 H new ATOM 0 HE2 LYS A 92 -12.877 -6.354 -1.338 1.00 4.81 H new ATOM 0 HE3 LYS A 92 -13.255 -6.504 -3.043 1.00 4.81 H new ATOM 0 HZ1 LYS A 92 -12.493 -8.602 -2.178 1.00 5.80 H new ATOM 0 HZ2 LYS A 92 -11.342 -8.011 -3.278 1.00 5.80 H new ATOM 0 HZ3 LYS A 92 -11.054 -7.904 -1.608 1.00 5.80 H new ATOM 1441 N ASP A 93 -14.609 -1.454 -2.435 1.00 0.57 N ATOM 1442 CA ASP A 93 -15.821 -1.551 -1.629 1.00 0.55 C ATOM 1443 C ASP A 93 -16.749 -0.330 -1.782 1.00 0.52 C ATOM 1444 O ASP A 93 -17.905 -0.385 -1.375 1.00 0.73 O ATOM 1445 CB ASP A 93 -15.307 -1.727 -0.200 1.00 0.78 C ATOM 1446 CG ASP A 93 -16.350 -2.051 0.859 1.00 0.82 C ATOM 1447 OD1 ASP A 93 -17.175 -2.960 0.627 1.00 1.43 O ATOM 1448 OD2 ASP A 93 -16.197 -1.431 1.935 1.00 1.15 O ATOM 0 H ASP A 93 -13.906 -0.849 -2.010 1.00 0.57 H new ATOM 0 HA ASP A 93 -16.452 -2.382 -1.945 1.00 0.55 H new ATOM 0 HB2 ASP A 93 -14.562 -2.523 -0.200 1.00 0.78 H new ATOM 0 HB3 ASP A 93 -14.795 -0.811 0.094 1.00 0.78 H new ATOM 1453 N GLY A 94 -16.270 0.760 -2.397 1.00 0.49 N ATOM 1454 CA GLY A 94 -17.056 1.963 -2.672 1.00 0.61 C ATOM 1455 C GLY A 94 -17.006 3.037 -1.575 1.00 0.63 C ATOM 1456 O GLY A 94 -17.836 3.942 -1.602 1.00 0.86 O ATOM 0 H GLY A 94 -15.306 0.828 -2.722 1.00 0.49 H new ATOM 0 HA2 GLY A 94 -16.705 2.402 -3.606 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -18.095 1.672 -2.827 1.00 0.61 H new ATOM 1460 N ASP A 95 -16.055 2.973 -0.630 1.00 0.55 N ATOM 1461 CA ASP A 95 -15.862 4.073 0.356 1.00 0.74 C ATOM 1462 C ASP A 95 -15.009 5.260 -0.152 1.00 0.82 C ATOM 1463 O ASP A 95 -14.893 6.285 0.520 1.00 1.14 O ATOM 1464 CB ASP A 95 -15.141 3.579 1.618 1.00 0.96 C ATOM 1465 CG ASP A 95 -15.911 2.584 2.466 1.00 0.84 C ATOM 1466 OD1 ASP A 95 -17.090 2.827 2.783 1.00 1.67 O ATOM 1467 OD2 ASP A 95 -15.230 1.590 2.822 1.00 0.95 O ATOM 0 H ASP A 95 -15.412 2.189 -0.520 1.00 0.55 H new ATOM 0 HA ASP A 95 -16.881 4.408 0.548 1.00 0.74 H new ATOM 0 HB2 ASP A 95 -14.197 3.122 1.320 1.00 0.96 H new ATOM 0 HB3 ASP A 95 -14.896 4.443 2.236 1.00 0.96 H new ATOM 1472 N GLY A 96 -14.280 5.082 -1.252 1.00 0.76 N ATOM 1473 CA GLY A 96 -13.094 5.845 -1.648 1.00 0.87 C ATOM 1474 C GLY A 96 -11.864 5.687 -0.734 1.00 0.73 C ATOM 1475 O GLY A 96 -10.808 6.230 -1.051 1.00 1.06 O ATOM 0 H GLY A 96 -14.514 4.359 -1.932 1.00 0.76 H new ATOM 0 HA2 GLY A 96 -12.814 5.548 -2.659 1.00 0.87 H new ATOM 0 HA3 GLY A 96 -13.361 6.901 -1.689 1.00 0.87 H new ATOM 1479 N LYS A 97 -11.973 4.980 0.404 1.00 0.35 N ATOM 1480 CA LYS A 97 -10.891 4.673 1.355 1.00 0.27 C ATOM 1481 C LYS A 97 -10.437 3.206 1.240 1.00 0.30 C ATOM 1482 O LYS A 97 -11.273 2.292 1.301 1.00 0.37 O ATOM 1483 CB LYS A 97 -11.376 4.911 2.796 1.00 0.46 C ATOM 1484 CG LYS A 97 -12.134 6.216 3.091 1.00 1.09 C ATOM 1485 CD LYS A 97 -11.332 7.509 2.922 1.00 1.37 C ATOM 1486 CE LYS A 97 -11.219 7.969 1.466 1.00 3.68 C ATOM 1487 NZ LYS A 97 -10.914 9.415 1.367 1.00 5.11 N ATOM 0 H LYS A 97 -12.866 4.586 0.701 1.00 0.35 H new ATOM 0 HA LYS A 97 -10.053 5.327 1.115 1.00 0.27 H new ATOM 0 HB2 LYS A 97 -12.022 4.078 3.074 1.00 0.46 H new ATOM 0 HB3 LYS A 97 -10.507 4.873 3.453 1.00 0.46 H new ATOM 0 HG2 LYS A 97 -13.005 6.263 2.437 1.00 1.09 H new ATOM 0 HG3 LYS A 97 -12.506 6.174 4.115 1.00 1.09 H new ATOM 0 HD2 LYS A 97 -11.801 8.298 3.509 1.00 1.37 H new ATOM 0 HD3 LYS A 97 -10.331 7.362 3.328 1.00 1.37 H new ATOM 0 HE2 LYS A 97 -10.438 7.398 0.964 1.00 3.68 H new ATOM 0 HE3 LYS A 97 -12.153 7.758 0.945 1.00 3.68 H new ATOM 0 HZ1 LYS A 97 -11.649 9.887 0.802 1.00 5.11 H new ATOM 0 HZ2 LYS A 97 -10.890 9.831 2.320 1.00 5.11 H new ATOM 0 HZ3 LYS A 97 -9.989 9.544 0.909 1.00 5.11 H new ATOM 1501 N ILE A 98 -9.115 2.987 1.170 1.00 0.29 N ATOM 1502 CA ILE A 98 -8.502 1.649 1.298 1.00 0.30 C ATOM 1503 C ILE A 98 -8.680 1.215 2.752 1.00 0.30 C ATOM 1504 O ILE A 98 -8.333 1.965 3.669 1.00 0.30 O ATOM 1505 CB ILE A 98 -7.009 1.622 0.844 1.00 0.35 C ATOM 1506 CG1 ILE A 98 -6.978 1.754 -0.688 1.00 0.42 C ATOM 1507 CG2 ILE A 98 -6.173 0.382 1.282 1.00 0.37 C ATOM 1508 CD1 ILE A 98 -5.582 1.934 -1.285 1.00 0.41 C ATOM 0 H ILE A 98 -8.436 3.733 1.023 1.00 0.29 H new ATOM 0 HA ILE A 98 -8.997 0.945 0.629 1.00 0.30 H new ATOM 0 HB ILE A 98 -6.527 2.456 1.355 1.00 0.35 H new ATOM 0 HG12 ILE A 98 -7.434 0.865 -1.125 1.00 0.42 H new ATOM 0 HG13 ILE A 98 -7.595 2.604 -0.979 1.00 0.42 H new ATOM 0 HG21 ILE A 98 -5.154 0.479 0.907 1.00 0.37 H new ATOM 0 HG22 ILE A 98 -6.155 0.321 2.370 1.00 0.37 H new ATOM 0 HG23 ILE A 98 -6.624 -0.523 0.876 1.00 0.37 H new ATOM 0 HD11 ILE A 98 -5.658 2.018 -2.369 1.00 0.41 H new ATOM 0 HD12 ILE A 98 -5.128 2.839 -0.882 1.00 0.41 H new ATOM 0 HD13 ILE A 98 -4.964 1.073 -1.030 1.00 0.41 H new ATOM 1520 N GLY A 99 -9.241 0.015 2.929 1.00 0.34 N ATOM 1521 CA GLY A 99 -9.305 -0.703 4.207 1.00 0.31 C ATOM 1522 C GLY A 99 -8.522 -2.021 4.170 1.00 0.30 C ATOM 1523 O GLY A 99 -8.332 -2.603 3.107 1.00 0.36 O ATOM 0 H GLY A 99 -9.677 -0.500 2.164 1.00 0.34 H new ATOM 0 HA2 GLY A 99 -8.907 -0.068 4.999 1.00 0.31 H new ATOM 0 HA3 GLY A 99 -10.346 -0.908 4.455 1.00 0.31 H new ATOM 1527 N VAL A 100 -8.088 -2.514 5.337 1.00 0.34 N ATOM 1528 CA VAL A 100 -7.281 -3.739 5.515 1.00 0.44 C ATOM 1529 C VAL A 100 -7.771 -4.958 4.717 1.00 0.40 C ATOM 1530 O VAL A 100 -7.025 -5.495 3.900 1.00 0.45 O ATOM 1531 CB VAL A 100 -7.098 -4.063 7.018 1.00 0.61 C ATOM 1532 CG1 VAL A 100 -8.386 -4.079 7.860 1.00 0.66 C ATOM 1533 CG2 VAL A 100 -6.359 -5.384 7.240 1.00 0.97 C ATOM 0 H VAL A 100 -8.296 -2.054 6.224 1.00 0.34 H new ATOM 0 HA VAL A 100 -6.306 -3.513 5.083 1.00 0.44 H new ATOM 0 HB VAL A 100 -6.501 -3.222 7.370 1.00 0.61 H new ATOM 0 HG11 VAL A 100 -8.141 -4.316 8.895 1.00 0.66 H new ATOM 0 HG12 VAL A 100 -8.862 -3.100 7.815 1.00 0.66 H new ATOM 0 HG13 VAL A 100 -9.068 -4.833 7.467 1.00 0.66 H new ATOM 0 HG21 VAL A 100 -6.255 -5.568 8.309 1.00 0.97 H new ATOM 0 HG22 VAL A 100 -6.924 -6.198 6.785 1.00 0.97 H new ATOM 0 HG23 VAL A 100 -5.371 -5.329 6.784 1.00 0.97 H new ATOM 1543 N ASP A 101 -8.999 -5.415 4.978 1.00 0.42 N ATOM 1544 CA ASP A 101 -9.564 -6.668 4.454 1.00 0.47 C ATOM 1545 C ASP A 101 -9.733 -6.628 2.920 1.00 0.43 C ATOM 1546 O ASP A 101 -9.498 -7.599 2.189 1.00 0.49 O ATOM 1547 CB ASP A 101 -10.908 -6.875 5.175 1.00 0.55 C ATOM 1548 CG ASP A 101 -11.460 -8.297 5.058 1.00 1.00 C ATOM 1549 OD1 ASP A 101 -10.635 -9.233 4.955 1.00 1.74 O ATOM 1550 OD2 ASP A 101 -12.700 -8.430 5.121 1.00 2.12 O ATOM 0 H ASP A 101 -9.650 -4.909 5.578 1.00 0.42 H new ATOM 0 HA ASP A 101 -8.891 -7.504 4.644 1.00 0.47 H new ATOM 0 HB2 ASP A 101 -10.785 -6.629 6.230 1.00 0.55 H new ATOM 0 HB3 ASP A 101 -11.639 -6.177 4.768 1.00 0.55 H new ATOM 1555 N GLU A 102 -10.055 -5.435 2.423 1.00 0.37 N ATOM 1556 CA GLU A 102 -10.028 -5.098 1.010 1.00 0.38 C ATOM 1557 C GLU A 102 -8.598 -5.185 0.484 1.00 0.40 C ATOM 1558 O GLU A 102 -8.340 -5.977 -0.415 1.00 0.47 O ATOM 1559 CB GLU A 102 -10.586 -3.689 0.804 1.00 0.47 C ATOM 1560 CG GLU A 102 -12.039 -3.545 1.260 1.00 0.65 C ATOM 1561 CD GLU A 102 -12.211 -2.195 1.943 1.00 0.81 C ATOM 1562 OE1 GLU A 102 -12.473 -1.189 1.241 1.00 0.87 O ATOM 1563 OE2 GLU A 102 -12.084 -2.112 3.180 1.00 2.03 O ATOM 0 H GLU A 102 -10.350 -4.657 3.013 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.647 -5.805 0.458 1.00 0.38 H new ATOM 0 HB2 GLU A 102 -9.968 -2.977 1.351 1.00 0.47 H new ATOM 0 HB3 GLU A 102 -10.516 -3.428 -0.252 1.00 0.47 H new ATOM 0 HG2 GLU A 102 -12.712 -3.623 0.406 1.00 0.65 H new ATOM 0 HG3 GLU A 102 -12.300 -4.351 1.946 1.00 0.65 H new ATOM 1570 N PHE A 103 -7.667 -4.405 1.050 1.00 0.42 N ATOM 1571 CA PHE A 103 -6.288 -4.276 0.577 1.00 0.52 C ATOM 1572 C PHE A 103 -5.544 -5.618 0.538 1.00 0.53 C ATOM 1573 O PHE A 103 -4.787 -5.872 -0.395 1.00 0.58 O ATOM 1574 CB PHE A 103 -5.550 -3.241 1.442 1.00 0.69 C ATOM 1575 CG PHE A 103 -4.391 -2.475 0.817 1.00 0.44 C ATOM 1576 CD1 PHE A 103 -4.299 -2.233 -0.573 1.00 2.09 C ATOM 1577 CD2 PHE A 103 -3.447 -1.882 1.676 1.00 2.03 C ATOM 1578 CE1 PHE A 103 -3.266 -1.432 -1.090 1.00 2.51 C ATOM 1579 CE2 PHE A 103 -2.418 -1.077 1.158 1.00 2.21 C ATOM 1580 CZ PHE A 103 -2.323 -0.852 -0.226 1.00 1.71 C ATOM 0 H PHE A 103 -7.861 -3.832 1.871 1.00 0.42 H new ATOM 0 HA PHE A 103 -6.315 -3.929 -0.456 1.00 0.52 H new ATOM 0 HB2 PHE A 103 -6.283 -2.512 1.787 1.00 0.69 H new ATOM 0 HB3 PHE A 103 -5.171 -3.755 2.326 1.00 0.69 H new ATOM 0 HD1 PHE A 103 -5.027 -2.667 -1.242 1.00 2.09 H new ATOM 0 HD2 PHE A 103 -3.514 -2.047 2.741 1.00 2.03 H new ATOM 0 HE1 PHE A 103 -3.197 -1.262 -2.154 1.00 2.51 H new ATOM 0 HE2 PHE A 103 -1.697 -0.629 1.826 1.00 2.21 H new ATOM 0 HZ PHE A 103 -1.529 -0.237 -0.623 1.00 1.71 H new ATOM 1590 N SER A 104 -5.837 -6.497 1.503 1.00 0.50 N ATOM 1591 CA SER A 104 -5.420 -7.901 1.582 1.00 0.55 C ATOM 1592 C SER A 104 -5.759 -8.714 0.329 1.00 0.49 C ATOM 1593 O SER A 104 -4.981 -9.565 -0.102 1.00 0.77 O ATOM 1594 CB SER A 104 -6.157 -8.529 2.771 1.00 0.66 C ATOM 1595 OG SER A 104 -5.654 -9.814 3.064 1.00 1.06 O ATOM 0 H SER A 104 -6.410 -6.228 2.303 1.00 0.50 H new ATOM 0 HA SER A 104 -4.335 -7.920 1.688 1.00 0.55 H new ATOM 0 HB2 SER A 104 -6.054 -7.887 3.646 1.00 0.66 H new ATOM 0 HB3 SER A 104 -7.222 -8.595 2.548 1.00 0.66 H new ATOM 0 HG SER A 104 -6.141 -10.190 3.827 1.00 1.06 H new ATOM 1601 N THR A 105 -6.930 -8.454 -0.261 1.00 0.38 N ATOM 1602 CA THR A 105 -7.550 -9.280 -1.300 1.00 0.45 C ATOM 1603 C THR A 105 -7.520 -8.613 -2.678 1.00 0.52 C ATOM 1604 O THR A 105 -7.396 -9.307 -3.688 1.00 0.60 O ATOM 1605 CB THR A 105 -8.961 -9.692 -0.849 1.00 0.53 C ATOM 1606 OG1 THR A 105 -9.784 -8.594 -0.475 1.00 0.50 O ATOM 1607 CG2 THR A 105 -8.847 -10.631 0.355 1.00 0.55 C ATOM 0 H THR A 105 -7.490 -7.636 -0.020 1.00 0.38 H new ATOM 0 HA THR A 105 -6.961 -10.188 -1.427 1.00 0.45 H new ATOM 0 HB THR A 105 -9.430 -10.176 -1.706 1.00 0.53 H new ATOM 0 HG1 THR A 105 -9.597 -8.346 0.454 1.00 0.50 H new ATOM 0 HG21 THR A 105 -9.844 -10.928 0.681 1.00 0.55 H new ATOM 0 HG22 THR A 105 -8.279 -11.517 0.073 1.00 0.55 H new ATOM 0 HG23 THR A 105 -8.337 -10.117 1.170 1.00 0.55 H new ATOM 1615 N LEU A 106 -7.424 -7.278 -2.694 1.00 0.56 N ATOM 1616 CA LEU A 106 -7.113 -6.364 -3.807 1.00 0.68 C ATOM 1617 C LEU A 106 -5.982 -6.858 -4.725 1.00 0.69 C ATOM 1618 O LEU A 106 -5.937 -6.594 -5.924 1.00 0.96 O ATOM 1619 CB LEU A 106 -6.667 -5.021 -3.174 1.00 0.84 C ATOM 1620 CG LEU A 106 -7.215 -3.733 -3.788 1.00 0.81 C ATOM 1621 CD1 LEU A 106 -6.993 -3.671 -5.293 1.00 1.31 C ATOM 1622 CD2 LEU A 106 -8.692 -3.602 -3.464 1.00 2.10 C ATOM 0 H LEU A 106 -7.579 -6.751 -1.834 1.00 0.56 H new ATOM 0 HA LEU A 106 -8.004 -6.281 -4.429 1.00 0.68 H new ATOM 0 HB2 LEU A 106 -6.947 -5.037 -2.121 1.00 0.84 H new ATOM 0 HB3 LEU A 106 -5.579 -4.976 -3.214 1.00 0.84 H new ATOM 0 HG LEU A 106 -6.668 -2.897 -3.352 1.00 0.81 H new ATOM 0 HD11 LEU A 106 -7.399 -2.738 -5.683 1.00 1.31 H new ATOM 0 HD12 LEU A 106 -5.925 -3.718 -5.505 1.00 1.31 H new ATOM 0 HD13 LEU A 106 -7.495 -4.513 -5.770 1.00 1.31 H new ATOM 0 HD21 LEU A 106 -9.081 -2.683 -3.903 1.00 2.10 H new ATOM 0 HD22 LEU A 106 -9.231 -4.456 -3.874 1.00 2.10 H new ATOM 0 HD23 LEU A 106 -8.826 -3.573 -2.383 1.00 2.10 H new ATOM 1634 N VAL A 107 -5.031 -7.563 -4.123 1.00 0.53 N ATOM 1635 CA VAL A 107 -3.758 -8.016 -4.693 1.00 0.61 C ATOM 1636 C VAL A 107 -3.722 -9.512 -5.039 1.00 0.65 C ATOM 1637 O VAL A 107 -2.735 -10.038 -5.567 1.00 0.86 O ATOM 1638 CB VAL A 107 -2.677 -7.673 -3.674 1.00 0.56 C ATOM 1639 CG1 VAL A 107 -2.550 -6.141 -3.600 1.00 0.58 C ATOM 1640 CG2 VAL A 107 -2.967 -8.286 -2.298 1.00 0.58 C ATOM 0 H VAL A 107 -5.133 -7.857 -3.152 1.00 0.53 H new ATOM 0 HA VAL A 107 -3.603 -7.511 -5.647 1.00 0.61 H new ATOM 0 HB VAL A 107 -1.729 -8.104 -3.996 1.00 0.56 H new ATOM 0 HG11 VAL A 107 -1.781 -5.874 -2.875 1.00 0.58 H new ATOM 0 HG12 VAL A 107 -2.276 -5.751 -4.580 1.00 0.58 H new ATOM 0 HG13 VAL A 107 -3.503 -5.711 -3.292 1.00 0.58 H new ATOM 0 HG21 VAL A 107 -2.171 -8.016 -1.604 1.00 0.58 H new ATOM 0 HG22 VAL A 107 -3.918 -7.907 -1.924 1.00 0.58 H new ATOM 0 HG23 VAL A 107 -3.018 -9.371 -2.387 1.00 0.58 H new ATOM 1650 N ALA A 108 -4.833 -10.176 -4.730 1.00 0.55 N ATOM 1651 CA ALA A 108 -5.195 -11.547 -5.053 1.00 0.58 C ATOM 1652 C ALA A 108 -6.164 -11.568 -6.239 1.00 0.67 C ATOM 1653 O ALA A 108 -5.897 -12.264 -7.212 1.00 0.89 O ATOM 1654 CB ALA A 108 -5.778 -12.218 -3.805 1.00 0.55 C ATOM 0 H ALA A 108 -5.572 -9.720 -4.195 1.00 0.55 H new ATOM 0 HA ALA A 108 -4.314 -12.113 -5.355 1.00 0.58 H new ATOM 0 HB1 ALA A 108 -6.052 -13.247 -4.039 1.00 0.55 H new ATOM 0 HB2 ALA A 108 -5.034 -12.213 -3.008 1.00 0.55 H new ATOM 0 HB3 ALA A 108 -6.663 -11.672 -3.478 1.00 0.55 H new ATOM 1660 N GLU A 109 -7.206 -10.723 -6.215 1.00 0.64 N ATOM 1661 CA GLU A 109 -7.903 -10.314 -7.444 1.00 0.84 C ATOM 1662 C GLU A 109 -6.981 -9.497 -8.369 1.00 1.13 C ATOM 1663 O GLU A 109 -7.148 -9.514 -9.588 1.00 1.36 O ATOM 1664 CB GLU A 109 -9.206 -9.569 -7.103 1.00 1.07 C ATOM 1665 CG GLU A 109 -8.990 -8.174 -6.498 1.00 2.08 C ATOM 1666 CD GLU A 109 -10.208 -7.708 -5.693 1.00 2.94 C ATOM 1667 OE1 GLU A 109 -10.398 -8.235 -4.570 1.00 3.74 O ATOM 1668 OE2 GLU A 109 -10.935 -6.814 -6.171 1.00 4.08 O ATOM 0 H GLU A 109 -7.583 -10.311 -5.362 1.00 0.64 H new ATOM 0 HA GLU A 109 -8.178 -11.210 -8.000 1.00 0.84 H new ATOM 0 HB2 GLU A 109 -9.804 -9.472 -8.009 1.00 1.07 H new ATOM 0 HB3 GLU A 109 -9.784 -10.172 -6.402 1.00 1.07 H new ATOM 0 HG2 GLU A 109 -8.112 -8.190 -5.852 1.00 2.08 H new ATOM 0 HG3 GLU A 109 -8.786 -7.459 -7.296 1.00 2.08 H new ATOM 1675 N SER A 110 -5.921 -8.880 -7.821 1.00 1.24 N ATOM 1676 CA SER A 110 -4.832 -8.229 -8.547 1.00 1.63 C ATOM 1677 C SER A 110 -5.279 -7.038 -9.394 1.00 2.31 C ATOM 1678 O SER A 110 -4.507 -6.091 -9.552 1.00 2.65 O ATOM 1679 CB SER A 110 -4.040 -9.255 -9.369 1.00 1.73 C ATOM 1680 OG SER A 110 -4.769 -9.643 -10.514 1.00 2.18 O ATOM 0 H SER A 110 -5.800 -8.822 -6.810 1.00 1.24 H new ATOM 0 HA SER A 110 -4.169 -7.804 -7.793 1.00 1.63 H new ATOM 0 HB2 SER A 110 -3.083 -8.828 -9.668 1.00 1.73 H new ATOM 0 HB3 SER A 110 -3.822 -10.130 -8.756 1.00 1.73 H new ATOM 0 HG SER A 110 -5.686 -9.304 -10.448 1.00 2.18 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.761 0.372 1.893 1.00 0.39 CA HETATM 1688 CA CA A 112 -5.837 7.522 7.746 1.00 0.81 CA