USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD Set 1.1: A 72 MET CE :methyl -147:sc= 0 (180deg=-0.526) USER MOD Set 1.2: A 107 HEC O2D : rot 176:sc= -0.02 USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.0599 (180deg=0.00103) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 4 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.67) USER MOD Single : A 8 THR OG1 : rot -83:sc= 1.3 USER MOD Single : A 11 SER OG : rot 60:sc= 1.17 USER MOD Single : A 12 SER OG : rot 69:sc= 0.244 USER MOD Single : A 15 THR OG1 : rot -65:sc= 0.917 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 23 GLN : amide:sc= 0.403 K(o=0.4,f=-0.5) USER MOD Single : A 34 THR OG1 : rot 140:sc= 1.34 USER MOD Single : A 36 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.2) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.19) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 175:sc= -0.0157 (180deg=-0.0326) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -154:sc= -0.189 (180deg=-1.04) USER MOD Single : A 66 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.46) USER MOD Single : A 67 TYR OH : rot 130:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 1.18 K(o=1.2,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= 0.295 K(o=0.3,f=-6!) USER MOD Single : A 75 MET CE :methyl 175:sc= 0 (180deg=-0.0361) USER MOD Single : A 83 SER OG : rot 72:sc= 0.436 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 0:sc= 1.22 USER MOD Single : A 93 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= 0.531 K(o=0.53,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.000874 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 107 HEC O2A : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.980 7.580 7.897 1.00 2.55 N ATOM 2 CA SER A 1 12.749 7.406 6.455 1.00 2.32 C ATOM 3 C SER A 1 11.782 6.249 6.183 1.00 1.72 C ATOM 4 O SER A 1 12.139 5.265 5.532 1.00 2.93 O ATOM 5 CB SER A 1 14.069 7.252 5.688 1.00 2.98 C ATOM 6 OG SER A 1 14.990 8.251 6.097 1.00 3.76 O ATOM 0 H1 SER A 1 13.953 7.911 8.055 1.00 2.55 H new ATOM 0 H2 SER A 1 12.310 8.281 8.274 1.00 2.55 H new ATOM 0 H3 SER A 1 12.840 6.671 8.383 1.00 2.55 H new ATOM 0 HA SER A 1 12.274 8.313 6.082 1.00 2.32 H new ATOM 0 HB2 SER A 1 14.490 6.263 5.868 1.00 2.98 H new ATOM 0 HB3 SER A 1 13.887 7.331 4.616 1.00 2.98 H new ATOM 0 HG SER A 1 15.830 8.144 5.603 1.00 3.76 H new ATOM 12 N GLY A 2 10.563 6.377 6.723 1.00 1.32 N ATOM 13 CA GLY A 2 9.397 5.572 6.348 1.00 0.76 C ATOM 14 C GLY A 2 8.552 5.036 7.511 1.00 0.63 C ATOM 15 O GLY A 2 7.336 5.210 7.468 1.00 0.65 O ATOM 0 H GLY A 2 10.357 7.061 7.451 1.00 1.32 H new ATOM 0 HA2 GLY A 2 8.755 6.174 5.705 1.00 0.76 H new ATOM 0 HA3 GLY A 2 9.740 4.726 5.753 1.00 0.76 H new ATOM 19 N GLU A 3 9.125 4.464 8.578 1.00 0.66 N ATOM 20 CA GLU A 3 8.307 3.955 9.702 1.00 0.68 C ATOM 21 C GLU A 3 7.639 5.111 10.472 1.00 0.68 C ATOM 22 O GLU A 3 6.465 5.021 10.818 1.00 0.66 O ATOM 23 CB GLU A 3 9.088 3.006 10.640 1.00 1.04 C ATOM 24 CG GLU A 3 8.110 2.322 11.624 1.00 1.66 C ATOM 25 CD GLU A 3 8.641 1.137 12.461 1.00 2.75 C ATOM 26 OE1 GLU A 3 9.869 0.915 12.587 1.00 3.27 O ATOM 27 OE2 GLU A 3 7.791 0.411 13.040 1.00 3.85 O ATOM 0 H GLU A 3 10.131 4.340 8.693 1.00 0.66 H new ATOM 0 HA GLU A 3 7.516 3.347 9.262 1.00 0.68 H new ATOM 0 HB2 GLU A 3 9.615 2.253 10.054 1.00 1.04 H new ATOM 0 HB3 GLU A 3 9.843 3.566 11.193 1.00 1.04 H new ATOM 0 HG2 GLU A 3 7.743 3.082 12.314 1.00 1.66 H new ATOM 0 HG3 GLU A 3 7.251 1.970 11.052 1.00 1.66 H new ATOM 34 N GLN A 4 8.330 6.245 10.636 1.00 0.79 N ATOM 35 CA GLN A 4 7.781 7.498 11.178 1.00 0.89 C ATOM 36 C GLN A 4 6.558 7.964 10.374 1.00 0.87 C ATOM 37 O GLN A 4 5.548 8.356 10.952 1.00 1.01 O ATOM 38 CB GLN A 4 8.909 8.553 11.166 1.00 1.08 C ATOM 39 CG GLN A 4 8.754 9.778 12.087 1.00 1.89 C ATOM 40 CD GLN A 4 7.695 10.804 11.695 1.00 3.21 C ATOM 41 OE1 GLN A 4 6.815 11.135 12.480 1.00 3.76 O ATOM 42 NE2 GLN A 4 7.754 11.395 10.521 1.00 4.96 N ATOM 0 H GLN A 4 9.317 6.321 10.388 1.00 0.79 H new ATOM 0 HA GLN A 4 7.432 7.345 12.199 1.00 0.89 H new ATOM 0 HB2 GLN A 4 9.840 8.051 11.429 1.00 1.08 H new ATOM 0 HB3 GLN A 4 9.020 8.914 10.144 1.00 1.08 H new ATOM 0 HG2 GLN A 4 8.526 9.421 13.091 1.00 1.89 H new ATOM 0 HG3 GLN A 4 9.717 10.287 12.140 1.00 1.89 H new ATOM 0 HE21 GLN A 4 8.480 11.133 9.854 1.00 4.96 H new ATOM 0 HE22 GLN A 4 7.074 12.115 10.278 1.00 4.96 H new ATOM 51 N ILE A 5 6.617 7.861 9.041 1.00 0.77 N ATOM 52 CA ILE A 5 5.533 8.225 8.116 1.00 0.77 C ATOM 53 C ILE A 5 4.370 7.226 8.231 1.00 0.70 C ATOM 54 O ILE A 5 3.213 7.628 8.360 1.00 0.76 O ATOM 55 CB ILE A 5 6.089 8.303 6.665 1.00 0.79 C ATOM 56 CG1 ILE A 5 7.208 9.371 6.559 1.00 0.89 C ATOM 57 CG2 ILE A 5 4.954 8.600 5.663 1.00 0.83 C ATOM 58 CD1 ILE A 5 7.914 9.399 5.196 1.00 0.89 C ATOM 0 H ILE A 5 7.446 7.511 8.560 1.00 0.77 H new ATOM 0 HA ILE A 5 5.141 9.207 8.381 1.00 0.77 H new ATOM 0 HB ILE A 5 6.522 7.334 6.415 1.00 0.79 H new ATOM 0 HG12 ILE A 5 6.779 10.354 6.755 1.00 0.89 H new ATOM 0 HG13 ILE A 5 7.949 9.186 7.337 1.00 0.89 H new ATOM 0 HG21 ILE A 5 5.363 8.651 4.654 1.00 0.83 H new ATOM 0 HG22 ILE A 5 4.208 7.807 5.713 1.00 0.83 H new ATOM 0 HG23 ILE A 5 4.488 9.553 5.914 1.00 0.83 H new ATOM 0 HD11 ILE A 5 8.683 10.171 5.200 1.00 0.89 H new ATOM 0 HD12 ILE A 5 8.374 8.430 5.005 1.00 0.89 H new ATOM 0 HD13 ILE A 5 7.186 9.616 4.414 1.00 0.89 H new ATOM 70 N PHE A 6 4.665 5.923 8.254 1.00 0.60 N ATOM 71 CA PHE A 6 3.655 4.876 8.400 1.00 0.56 C ATOM 72 C PHE A 6 2.907 4.982 9.739 1.00 0.59 C ATOM 73 O PHE A 6 1.680 4.885 9.777 1.00 0.66 O ATOM 74 CB PHE A 6 4.314 3.499 8.239 1.00 0.59 C ATOM 75 CG PHE A 6 3.320 2.354 8.262 1.00 0.77 C ATOM 76 CD1 PHE A 6 2.631 1.999 7.087 1.00 1.71 C ATOM 77 CD2 PHE A 6 3.062 1.660 9.459 1.00 1.19 C ATOM 78 CE1 PHE A 6 1.680 0.963 7.112 1.00 1.97 C ATOM 79 CE2 PHE A 6 2.117 0.619 9.480 1.00 1.37 C ATOM 80 CZ PHE A 6 1.424 0.272 8.307 1.00 1.42 C ATOM 0 H PHE A 6 5.617 5.565 8.171 1.00 0.60 H new ATOM 0 HA PHE A 6 2.909 5.008 7.616 1.00 0.56 H new ATOM 0 HB2 PHE A 6 4.864 3.475 7.299 1.00 0.59 H new ATOM 0 HB3 PHE A 6 5.042 3.356 9.038 1.00 0.59 H new ATOM 0 HD1 PHE A 6 2.833 2.523 6.165 1.00 1.71 H new ATOM 0 HD2 PHE A 6 3.590 1.927 10.362 1.00 1.19 H new ATOM 0 HE1 PHE A 6 1.146 0.699 6.211 1.00 1.97 H new ATOM 0 HE2 PHE A 6 1.923 0.085 10.399 1.00 1.37 H new ATOM 0 HZ PHE A 6 0.696 -0.525 8.325 1.00 1.42 H new ATOM 90 N ARG A 7 3.632 5.255 10.829 1.00 0.63 N ATOM 91 CA ARG A 7 3.094 5.458 12.183 1.00 0.79 C ATOM 92 C ARG A 7 2.204 6.701 12.285 1.00 0.88 C ATOM 93 O ARG A 7 1.177 6.652 12.970 1.00 1.02 O ATOM 94 CB ARG A 7 4.280 5.542 13.160 1.00 0.90 C ATOM 95 CG ARG A 7 3.850 5.648 14.630 1.00 1.09 C ATOM 96 CD ARG A 7 5.081 5.617 15.545 1.00 1.88 C ATOM 97 NE ARG A 7 4.720 5.689 16.970 1.00 2.49 N ATOM 98 CZ ARG A 7 4.275 4.664 17.720 1.00 3.14 C ATOM 99 NH1 ARG A 7 4.063 3.450 17.194 1.00 3.60 N ATOM 100 NH2 ARG A 7 4.035 4.855 19.025 1.00 4.00 N ATOM 0 H ARG A 7 4.647 5.344 10.794 1.00 0.63 H new ATOM 0 HA ARG A 7 2.451 4.615 12.437 1.00 0.79 H new ATOM 0 HB2 ARG A 7 4.908 4.660 13.035 1.00 0.90 H new ATOM 0 HB3 ARG A 7 4.892 6.407 12.904 1.00 0.90 H new ATOM 0 HG2 ARG A 7 3.293 6.572 14.788 1.00 1.09 H new ATOM 0 HG3 ARG A 7 3.180 4.825 14.881 1.00 1.09 H new ATOM 0 HD2 ARG A 7 5.645 4.702 15.361 1.00 1.88 H new ATOM 0 HD3 ARG A 7 5.737 6.451 15.296 1.00 1.88 H new ATOM 0 HE ARG A 7 4.815 6.595 17.429 1.00 2.49 H new ATOM 0 HH11 ARG A 7 4.239 3.286 16.203 1.00 3.60 H new ATOM 0 HH12 ARG A 7 3.725 2.690 17.785 1.00 3.60 H new ATOM 0 HH21 ARG A 7 4.190 5.772 19.443 1.00 4.00 H new ATOM 0 HH22 ARG A 7 3.698 4.083 19.600 1.00 4.00 H new ATOM 114 N THR A 8 2.549 7.777 11.570 1.00 0.95 N ATOM 115 CA THR A 8 1.883 9.093 11.672 1.00 1.17 C ATOM 116 C THR A 8 0.812 9.418 10.631 1.00 1.25 C ATOM 117 O THR A 8 0.010 10.314 10.902 1.00 1.57 O ATOM 118 CB THR A 8 2.893 10.249 11.728 1.00 1.37 C ATOM 119 OG1 THR A 8 3.752 10.248 10.615 1.00 1.45 O ATOM 120 CG2 THR A 8 3.710 10.221 13.017 1.00 1.59 C ATOM 0 H THR A 8 3.310 7.764 10.891 1.00 0.95 H new ATOM 0 HA THR A 8 1.345 8.994 12.615 1.00 1.17 H new ATOM 0 HB THR A 8 2.310 11.170 11.708 1.00 1.37 H new ATOM 0 HG1 THR A 8 4.485 9.615 10.768 1.00 1.45 H new ATOM 0 HG21 THR A 8 4.413 11.054 13.020 1.00 1.59 H new ATOM 0 HG22 THR A 8 3.041 10.307 13.873 1.00 1.59 H new ATOM 0 HG23 THR A 8 4.260 9.282 13.079 1.00 1.59 H new ATOM 128 N ARG A 9 0.742 8.750 9.465 1.00 1.07 N ATOM 129 CA ARG A 9 -0.432 8.877 8.565 1.00 1.30 C ATOM 130 C ARG A 9 -0.899 7.611 7.830 1.00 1.04 C ATOM 131 O ARG A 9 -1.707 7.710 6.908 1.00 1.18 O ATOM 132 CB ARG A 9 -0.328 10.142 7.701 1.00 2.15 C ATOM 133 CG ARG A 9 0.766 10.125 6.633 1.00 1.20 C ATOM 134 CD ARG A 9 1.011 11.569 6.174 1.00 1.40 C ATOM 135 NE ARG A 9 1.039 11.692 4.716 1.00 1.61 N ATOM 136 CZ ARG A 9 0.014 12.058 3.930 1.00 2.58 C ATOM 137 NH1 ARG A 9 -1.226 12.242 4.410 1.00 3.16 N ATOM 138 NH2 ARG A 9 0.250 12.251 2.628 1.00 3.95 N ATOM 0 H ARG A 9 1.471 8.124 9.122 1.00 1.07 H new ATOM 0 HA ARG A 9 -1.283 9.008 9.233 1.00 1.30 H new ATOM 0 HB2 ARG A 9 -1.287 10.305 7.210 1.00 2.15 H new ATOM 0 HB3 ARG A 9 -0.157 10.995 8.357 1.00 2.15 H new ATOM 0 HG2 ARG A 9 1.683 9.693 7.035 1.00 1.20 H new ATOM 0 HG3 ARG A 9 0.464 9.504 5.790 1.00 1.20 H new ATOM 0 HD2 ARG A 9 0.229 12.213 6.576 1.00 1.40 H new ATOM 0 HD3 ARG A 9 1.957 11.923 6.584 1.00 1.40 H new ATOM 0 HE ARG A 9 1.922 11.479 4.252 1.00 1.61 H new ATOM 0 HH11 ARG A 9 -1.414 12.104 5.403 1.00 3.16 H new ATOM 0 HH12 ARG A 9 -1.980 12.520 3.782 1.00 3.16 H new ATOM 0 HH21 ARG A 9 1.190 12.120 2.255 1.00 3.95 H new ATOM 0 HH22 ARG A 9 -0.510 12.529 2.008 1.00 3.95 H new ATOM 152 N CYS A 10 -0.433 6.421 8.221 1.00 0.91 N ATOM 153 CA CYS A 10 -0.795 5.146 7.571 1.00 0.92 C ATOM 154 C CYS A 10 -1.189 4.009 8.541 1.00 0.84 C ATOM 155 O CYS A 10 -1.457 2.883 8.112 1.00 1.02 O ATOM 156 CB CYS A 10 0.329 4.730 6.620 1.00 1.08 C ATOM 157 SG CYS A 10 -0.148 3.732 5.177 1.00 1.52 S ATOM 0 H CYS A 10 0.212 6.309 9.003 1.00 0.91 H new ATOM 0 HA CYS A 10 -1.710 5.328 7.008 1.00 0.92 H new ATOM 0 HB2 CYS A 10 0.822 5.633 6.261 1.00 1.08 H new ATOM 0 HB3 CYS A 10 1.068 4.169 7.192 1.00 1.08 H new ATOM 162 N SER A 11 -1.266 4.292 9.848 1.00 0.85 N ATOM 163 CA SER A 11 -1.557 3.320 10.913 1.00 0.94 C ATOM 164 C SER A 11 -2.983 3.463 11.458 1.00 1.15 C ATOM 165 O SER A 11 -3.189 3.734 12.645 1.00 2.36 O ATOM 166 CB SER A 11 -0.518 3.418 12.034 1.00 1.03 C ATOM 167 OG SER A 11 0.751 3.011 11.560 1.00 2.02 O ATOM 0 H SER A 11 -1.123 5.236 10.206 1.00 0.85 H new ATOM 0 HA SER A 11 -1.492 2.326 10.471 1.00 0.94 H new ATOM 0 HB2 SER A 11 -0.465 4.442 12.403 1.00 1.03 H new ATOM 0 HB3 SER A 11 -0.819 2.792 12.874 1.00 1.03 H new ATOM 0 HG SER A 11 1.026 3.592 10.820 1.00 2.02 H new ATOM 173 N SER A 12 -3.988 3.315 10.591 1.00 1.45 N ATOM 174 CA SER A 12 -5.406 3.256 10.998 1.00 1.59 C ATOM 175 C SER A 12 -6.172 2.035 10.477 1.00 1.31 C ATOM 176 O SER A 12 -7.218 1.691 11.036 1.00 1.45 O ATOM 177 CB SER A 12 -6.115 4.569 10.646 1.00 2.05 C ATOM 178 OG SER A 12 -6.038 4.838 9.261 1.00 3.64 O ATOM 0 H SER A 12 -3.848 3.232 9.584 1.00 1.45 H new ATOM 0 HA SER A 12 -5.404 3.128 12.080 1.00 1.59 H new ATOM 0 HB2 SER A 12 -7.160 4.514 10.950 1.00 2.05 H new ATOM 0 HB3 SER A 12 -5.664 5.390 11.204 1.00 2.05 H new ATOM 0 HG SER A 12 -6.581 4.186 8.770 1.00 3.64 H new ATOM 184 N CYS A 13 -5.657 1.344 9.452 1.00 1.10 N ATOM 185 CA CYS A 13 -6.401 0.313 8.715 1.00 1.05 C ATOM 186 C CYS A 13 -5.608 -0.963 8.365 1.00 1.19 C ATOM 187 O CYS A 13 -6.058 -1.718 7.497 1.00 1.69 O ATOM 188 CB CYS A 13 -6.996 0.940 7.444 1.00 1.04 C ATOM 189 SG CYS A 13 -8.038 2.427 7.642 1.00 0.82 S ATOM 0 H CYS A 13 -4.707 1.485 9.108 1.00 1.10 H new ATOM 0 HA CYS A 13 -7.180 -0.034 9.394 1.00 1.05 H new ATOM 0 HB2 CYS A 13 -6.172 1.194 6.777 1.00 1.04 H new ATOM 0 HB3 CYS A 13 -7.591 0.178 6.940 1.00 1.04 H new ATOM 194 N HIS A 14 -4.443 -1.215 8.983 1.00 1.08 N ATOM 195 CA HIS A 14 -3.533 -2.312 8.601 1.00 1.17 C ATOM 196 C HIS A 14 -2.859 -3.038 9.793 1.00 1.63 C ATOM 197 O HIS A 14 -3.077 -2.725 10.963 1.00 2.23 O ATOM 198 CB HIS A 14 -2.439 -1.767 7.666 1.00 1.02 C ATOM 199 CG HIS A 14 -2.870 -0.757 6.644 1.00 0.66 C ATOM 200 ND1 HIS A 14 -2.625 0.581 6.751 1.00 2.57 N ATOM 201 CD2 HIS A 14 -3.493 -0.986 5.450 1.00 0.98 C ATOM 202 CE1 HIS A 14 -3.082 1.160 5.634 1.00 2.78 C ATOM 203 NE2 HIS A 14 -3.617 0.248 4.781 1.00 0.91 N ATOM 0 H HIS A 14 -4.102 -0.660 9.768 1.00 1.08 H new ATOM 0 HA HIS A 14 -4.158 -3.055 8.105 1.00 1.17 H new ATOM 0 HB2 HIS A 14 -1.659 -1.318 8.280 1.00 1.02 H new ATOM 0 HB3 HIS A 14 -1.987 -2.610 7.143 1.00 1.02 H new ATOM 0 HD1 HIS A 14 -2.177 1.053 7.537 1.00 2.57 H new ATOM 0 HD2 HIS A 14 -3.831 -1.944 5.083 1.00 0.98 H new ATOM 0 HE1 HIS A 14 -3.032 2.220 5.436 1.00 2.78 H new ATOM 211 N THR A 15 -1.980 -3.984 9.452 1.00 1.54 N ATOM 212 CA THR A 15 -0.872 -4.537 10.257 1.00 1.77 C ATOM 213 C THR A 15 0.325 -4.806 9.337 1.00 1.41 C ATOM 214 O THR A 15 0.141 -5.163 8.179 1.00 1.29 O ATOM 215 CB THR A 15 -1.242 -5.856 10.975 1.00 2.31 C ATOM 216 OG1 THR A 15 -2.149 -6.640 10.225 1.00 2.81 O ATOM 217 CG2 THR A 15 -1.867 -5.619 12.344 1.00 2.38 C ATOM 0 H THR A 15 -2.023 -4.423 8.532 1.00 1.54 H new ATOM 0 HA THR A 15 -0.637 -3.800 11.025 1.00 1.77 H new ATOM 0 HB THR A 15 -0.296 -6.385 11.087 1.00 2.31 H new ATOM 0 HG1 THR A 15 -3.005 -6.169 10.152 1.00 2.81 H new ATOM 0 HG21 THR A 15 -2.108 -6.577 12.805 1.00 2.38 H new ATOM 0 HG22 THR A 15 -1.163 -5.079 12.977 1.00 2.38 H new ATOM 0 HG23 THR A 15 -2.778 -5.031 12.231 1.00 2.38 H new ATOM 225 N VAL A 16 1.566 -4.709 9.817 1.00 1.40 N ATOM 226 CA VAL A 16 2.732 -5.290 9.114 1.00 1.29 C ATOM 227 C VAL A 16 3.231 -6.459 9.946 1.00 1.50 C ATOM 228 O VAL A 16 3.745 -6.276 11.050 1.00 1.93 O ATOM 229 CB VAL A 16 3.835 -4.251 8.798 1.00 1.29 C ATOM 230 CG1 VAL A 16 4.786 -4.817 7.732 1.00 1.69 C ATOM 231 CG2 VAL A 16 3.267 -2.930 8.265 1.00 1.57 C ATOM 0 H VAL A 16 1.799 -4.235 10.690 1.00 1.40 H new ATOM 0 HA VAL A 16 2.427 -5.644 8.129 1.00 1.29 H new ATOM 0 HB VAL A 16 4.355 -4.052 9.735 1.00 1.29 H new ATOM 0 HG11 VAL A 16 5.562 -4.084 7.511 1.00 1.69 H new ATOM 0 HG12 VAL A 16 5.247 -5.732 8.104 1.00 1.69 H new ATOM 0 HG13 VAL A 16 4.225 -5.037 6.824 1.00 1.69 H new ATOM 0 HG21 VAL A 16 4.084 -2.239 8.060 1.00 1.57 H new ATOM 0 HG22 VAL A 16 2.711 -3.117 7.346 1.00 1.57 H new ATOM 0 HG23 VAL A 16 2.601 -2.494 9.009 1.00 1.57 H new ATOM 241 N GLY A 17 2.973 -7.679 9.472 1.00 1.52 N ATOM 242 CA GLY A 17 3.310 -8.903 10.210 1.00 1.74 C ATOM 243 C GLY A 17 2.499 -9.028 11.501 1.00 2.04 C ATOM 244 O GLY A 17 3.031 -9.377 12.553 1.00 1.78 O ATOM 0 H GLY A 17 2.527 -7.849 8.571 1.00 1.52 H new ATOM 0 HA2 GLY A 17 3.124 -9.771 9.578 1.00 1.74 H new ATOM 0 HA3 GLY A 17 4.374 -8.903 10.447 1.00 1.74 H new ATOM 248 N ASN A 18 1.224 -8.626 11.442 1.00 2.87 N ATOM 249 CA ASN A 18 0.301 -8.497 12.574 1.00 3.35 C ATOM 250 C ASN A 18 0.780 -7.551 13.715 1.00 2.09 C ATOM 251 O ASN A 18 0.203 -7.568 14.801 1.00 2.76 O ATOM 252 CB ASN A 18 -0.054 -9.906 13.033 1.00 5.40 C ATOM 253 CG ASN A 18 -1.445 -10.051 13.613 1.00 6.90 C ATOM 254 OD1 ASN A 18 -2.417 -10.146 12.879 1.00 8.09 O ATOM 255 ND2 ASN A 18 -1.581 -10.107 14.913 1.00 7.37 N ATOM 0 H ASN A 18 0.786 -8.369 10.557 1.00 2.87 H new ATOM 0 HA ASN A 18 -0.598 -7.979 12.240 1.00 3.35 H new ATOM 0 HB2 ASN A 18 0.044 -10.585 12.186 1.00 5.40 H new ATOM 0 HB3 ASN A 18 0.672 -10.223 13.782 1.00 5.40 H new ATOM 0 HD21 ASN A 18 -2.506 -10.231 15.324 1.00 7.37 H new ATOM 0 HD22 ASN A 18 -0.762 -10.026 15.515 1.00 7.37 H new ATOM 262 N THR A 19 1.844 -6.753 13.518 1.00 2.78 N ATOM 263 CA THR A 19 2.431 -5.908 14.584 1.00 4.75 C ATOM 264 C THR A 19 1.726 -4.562 14.761 1.00 5.65 C ATOM 265 O THR A 19 1.102 -4.057 13.830 1.00 6.30 O ATOM 266 CB THR A 19 3.946 -5.687 14.434 1.00 6.84 C ATOM 267 OG1 THR A 19 4.244 -4.903 13.299 1.00 7.40 O ATOM 268 CG2 THR A 19 4.758 -6.976 14.332 1.00 7.78 C ATOM 0 H THR A 19 2.323 -6.672 12.621 1.00 2.78 H new ATOM 0 HA THR A 19 2.266 -6.493 15.489 1.00 4.75 H new ATOM 0 HB THR A 19 4.233 -5.174 15.352 1.00 6.84 H new ATOM 0 HG1 THR A 19 4.369 -5.487 12.522 1.00 7.40 H new ATOM 0 HG21 THR A 19 5.815 -6.733 14.229 1.00 7.78 H new ATOM 0 HG22 THR A 19 4.609 -7.572 15.232 1.00 7.78 H new ATOM 0 HG23 THR A 19 4.430 -7.545 13.462 1.00 7.78 H new ATOM 276 N GLU A 20 1.815 -3.995 15.967 1.00 6.50 N ATOM 277 CA GLU A 20 1.051 -2.820 16.434 1.00 7.59 C ATOM 278 C GLU A 20 -0.441 -2.824 15.985 1.00 7.75 C ATOM 279 O GLU A 20 -0.900 -1.901 15.292 1.00 8.38 O ATOM 280 CB GLU A 20 1.830 -1.519 16.137 1.00 8.89 C ATOM 281 CG GLU A 20 3.208 -1.517 16.835 1.00 9.27 C ATOM 282 CD GLU A 20 3.782 -0.110 17.070 1.00 10.49 C ATOM 283 OE1 GLU A 20 3.298 0.580 18.004 1.00 10.97 O ATOM 284 OE2 GLU A 20 4.753 0.296 16.378 1.00 11.31 O ATOM 0 H GLU A 20 2.448 -4.354 16.682 1.00 6.50 H new ATOM 0 HA GLU A 20 0.964 -2.880 17.519 1.00 7.59 H new ATOM 0 HB2 GLU A 20 1.965 -1.411 15.061 1.00 8.89 H new ATOM 0 HB3 GLU A 20 1.249 -0.660 16.473 1.00 8.89 H new ATOM 0 HG2 GLU A 20 3.120 -2.028 17.794 1.00 9.27 H new ATOM 0 HG3 GLU A 20 3.912 -2.090 16.231 1.00 9.27 H new ATOM 291 N PRO A 21 -1.213 -3.882 16.331 1.00 7.52 N ATOM 292 CA PRO A 21 -2.599 -4.060 15.904 1.00 7.92 C ATOM 293 C PRO A 21 -3.595 -3.275 16.773 1.00 8.13 C ATOM 294 O PRO A 21 -3.366 -3.034 17.963 1.00 8.31 O ATOM 295 CB PRO A 21 -2.849 -5.569 16.011 1.00 8.02 C ATOM 296 CG PRO A 21 -2.029 -5.952 17.239 1.00 7.63 C ATOM 297 CD PRO A 21 -0.807 -5.040 17.128 1.00 7.29 C ATOM 0 HA PRO A 21 -2.749 -3.677 14.895 1.00 7.92 H new ATOM 0 HB2 PRO A 21 -3.907 -5.797 16.142 1.00 8.02 H new ATOM 0 HB3 PRO A 21 -2.516 -6.100 15.119 1.00 8.02 H new ATOM 0 HG2 PRO A 21 -2.580 -5.779 18.163 1.00 7.63 H new ATOM 0 HG3 PRO A 21 -1.750 -7.006 17.227 1.00 7.63 H new ATOM 0 HD2 PRO A 21 -0.466 -4.729 18.116 1.00 7.29 H new ATOM 0 HD3 PRO A 21 0.024 -5.563 16.654 1.00 7.29 H new ATOM 305 N GLY A 22 -4.751 -2.953 16.197 1.00 8.44 N ATOM 306 CA GLY A 22 -5.864 -2.252 16.846 1.00 8.83 C ATOM 307 C GLY A 22 -6.944 -1.897 15.824 1.00 8.24 C ATOM 308 O GLY A 22 -6.997 -2.512 14.756 1.00 7.81 O ATOM 0 H GLY A 22 -4.949 -3.182 15.223 1.00 8.44 H new ATOM 0 HA2 GLY A 22 -6.289 -2.879 17.629 1.00 8.83 H new ATOM 0 HA3 GLY A 22 -5.499 -1.345 17.327 1.00 8.83 H new ATOM 312 N GLN A 23 -7.765 -0.885 16.125 1.00 8.66 N ATOM 313 CA GLN A 23 -8.631 -0.171 15.171 1.00 8.65 C ATOM 314 C GLN A 23 -9.422 -1.124 14.233 1.00 7.03 C ATOM 315 O GLN A 23 -9.118 -1.198 13.039 1.00 6.42 O ATOM 316 CB GLN A 23 -7.772 0.879 14.432 1.00 9.78 C ATOM 317 CG GLN A 23 -7.173 1.940 15.375 1.00 11.17 C ATOM 318 CD GLN A 23 -6.147 2.822 14.673 1.00 12.39 C ATOM 319 OE1 GLN A 23 -6.431 3.939 14.250 1.00 13.32 O ATOM 320 NE2 GLN A 23 -4.929 2.349 14.503 1.00 12.76 N ATOM 0 H GLN A 23 -7.850 -0.524 17.075 1.00 8.66 H new ATOM 0 HA GLN A 23 -9.421 0.350 15.712 1.00 8.65 H new ATOM 0 HB2 GLN A 23 -6.964 0.373 13.904 1.00 9.78 H new ATOM 0 HB3 GLN A 23 -8.384 1.375 13.678 1.00 9.78 H new ATOM 0 HG2 GLN A 23 -7.974 2.563 15.773 1.00 11.17 H new ATOM 0 HG3 GLN A 23 -6.703 1.445 16.224 1.00 11.17 H new ATOM 0 HE21 GLN A 23 -4.689 1.422 14.853 1.00 12.76 H new ATOM 0 HE22 GLN A 23 -4.226 2.910 14.022 1.00 12.76 H new ATOM 329 N PRO A 24 -10.367 -1.924 14.774 1.00 6.90 N ATOM 330 CA PRO A 24 -10.976 -3.071 14.088 1.00 6.04 C ATOM 331 C PRO A 24 -12.020 -2.682 13.028 1.00 5.63 C ATOM 332 O PRO A 24 -12.181 -1.514 12.680 1.00 6.38 O ATOM 333 CB PRO A 24 -11.557 -3.927 15.222 1.00 7.36 C ATOM 334 CG PRO A 24 -11.969 -2.886 16.260 1.00 8.72 C ATOM 335 CD PRO A 24 -10.837 -1.869 16.155 1.00 8.39 C ATOM 0 HA PRO A 24 -10.240 -3.616 13.497 1.00 6.04 H new ATOM 0 HB2 PRO A 24 -12.407 -4.520 14.885 1.00 7.36 H new ATOM 0 HB3 PRO A 24 -10.820 -4.624 15.620 1.00 7.36 H new ATOM 0 HG2 PRO A 24 -12.938 -2.443 16.031 1.00 8.72 H new ATOM 0 HG3 PRO A 24 -12.042 -3.314 17.260 1.00 8.72 H new ATOM 0 HD2 PRO A 24 -11.188 -0.868 16.407 1.00 8.39 H new ATOM 0 HD3 PRO A 24 -10.032 -2.109 16.850 1.00 8.39 H new ATOM 343 N GLY A 25 -12.672 -3.673 12.413 1.00 5.12 N ATOM 344 CA GLY A 25 -13.417 -3.533 11.151 1.00 4.94 C ATOM 345 C GLY A 25 -12.493 -3.485 9.924 1.00 3.50 C ATOM 346 O GLY A 25 -12.849 -4.000 8.863 1.00 3.69 O ATOM 0 H GLY A 25 -12.699 -4.622 12.786 1.00 5.12 H new ATOM 0 HA2 GLY A 25 -14.110 -4.368 11.047 1.00 4.94 H new ATOM 0 HA3 GLY A 25 -14.017 -2.623 11.186 1.00 4.94 H new ATOM 350 N ILE A 26 -11.284 -2.945 10.105 1.00 2.36 N ATOM 351 CA ILE A 26 -10.118 -2.937 9.216 1.00 1.28 C ATOM 352 C ILE A 26 -8.858 -3.402 9.985 1.00 2.17 C ATOM 353 O ILE A 26 -8.904 -3.616 11.198 1.00 4.03 O ATOM 354 CB ILE A 26 -9.940 -1.558 8.545 1.00 1.04 C ATOM 355 CG1 ILE A 26 -9.982 -0.368 9.526 1.00 1.48 C ATOM 356 CG2 ILE A 26 -10.922 -1.387 7.374 1.00 1.36 C ATOM 357 CD1 ILE A 26 -11.342 0.287 9.810 1.00 1.46 C ATOM 0 H ILE A 26 -11.076 -2.449 10.972 1.00 2.36 H new ATOM 0 HA ILE A 26 -10.281 -3.648 8.406 1.00 1.28 H new ATOM 0 HB ILE A 26 -8.927 -1.544 8.144 1.00 1.04 H new ATOM 0 HG12 ILE A 26 -9.569 -0.705 10.477 1.00 1.48 H new ATOM 0 HG13 ILE A 26 -9.314 0.403 9.143 1.00 1.48 H new ATOM 0 HG21 ILE A 26 -10.777 -0.408 6.918 1.00 1.36 H new ATOM 0 HG22 ILE A 26 -10.741 -2.164 6.631 1.00 1.36 H new ATOM 0 HG23 ILE A 26 -11.945 -1.468 7.742 1.00 1.36 H new ATOM 0 HD11 ILE A 26 -11.211 1.107 10.516 1.00 1.46 H new ATOM 0 HD12 ILE A 26 -11.761 0.673 8.881 1.00 1.46 H new ATOM 0 HD13 ILE A 26 -12.021 -0.453 10.235 1.00 1.46 H new ATOM 369 N GLY A 27 -7.741 -3.610 9.282 1.00 1.61 N ATOM 370 CA GLY A 27 -6.503 -4.209 9.805 1.00 2.74 C ATOM 371 C GLY A 27 -5.630 -5.115 8.891 1.00 1.79 C ATOM 372 O GLY A 27 -4.637 -5.612 9.431 1.00 1.77 O ATOM 0 H GLY A 27 -7.668 -3.358 8.296 1.00 1.61 H new ATOM 0 HA2 GLY A 27 -5.870 -3.393 10.152 1.00 2.74 H new ATOM 0 HA3 GLY A 27 -6.773 -4.798 10.682 1.00 2.74 H new ATOM 376 N PRO A 28 -5.900 -5.357 7.578 1.00 1.65 N ATOM 377 CA PRO A 28 -5.135 -6.311 6.754 1.00 1.41 C ATOM 378 C PRO A 28 -3.599 -6.216 6.759 1.00 1.17 C ATOM 379 O PRO A 28 -3.015 -5.141 6.909 1.00 1.15 O ATOM 380 CB PRO A 28 -5.665 -6.164 5.326 1.00 2.16 C ATOM 381 CG PRO A 28 -7.133 -5.847 5.566 1.00 2.71 C ATOM 382 CD PRO A 28 -7.093 -4.976 6.819 1.00 2.37 C ATOM 0 HA PRO A 28 -5.297 -7.290 7.205 1.00 1.41 H new ATOM 0 HB2 PRO A 28 -5.159 -5.366 4.783 1.00 2.16 H new ATOM 0 HB3 PRO A 28 -5.534 -7.078 4.746 1.00 2.16 H new ATOM 0 HG2 PRO A 28 -7.576 -5.319 4.721 1.00 2.71 H new ATOM 0 HG3 PRO A 28 -7.722 -6.751 5.721 1.00 2.71 H new ATOM 0 HD2 PRO A 28 -7.057 -3.920 6.552 1.00 2.37 H new ATOM 0 HD3 PRO A 28 -7.992 -5.123 7.418 1.00 2.37 H new ATOM 390 N ASP A 29 -2.950 -7.368 6.552 1.00 1.38 N ATOM 391 CA ASP A 29 -1.503 -7.552 6.723 1.00 1.37 C ATOM 392 C ASP A 29 -0.675 -7.185 5.470 1.00 1.29 C ATOM 393 O ASP A 29 -0.986 -7.634 4.361 1.00 1.57 O ATOM 394 CB ASP A 29 -1.232 -8.990 7.192 1.00 1.88 C ATOM 395 CG ASP A 29 0.118 -9.142 7.901 1.00 1.87 C ATOM 396 OD1 ASP A 29 1.161 -8.791 7.298 1.00 2.68 O ATOM 397 OD2 ASP A 29 0.134 -9.648 9.052 1.00 2.46 O ATOM 0 H ASP A 29 -3.427 -8.219 6.254 1.00 1.38 H new ATOM 0 HA ASP A 29 -1.168 -6.849 7.486 1.00 1.37 H new ATOM 0 HB2 ASP A 29 -2.028 -9.303 7.867 1.00 1.88 H new ATOM 0 HB3 ASP A 29 -1.262 -9.659 6.332 1.00 1.88 H new ATOM 402 N LEU A 30 0.400 -6.403 5.634 1.00 1.04 N ATOM 403 CA LEU A 30 1.248 -5.866 4.549 1.00 0.98 C ATOM 404 C LEU A 30 2.636 -6.534 4.423 1.00 0.99 C ATOM 405 O LEU A 30 3.466 -6.104 3.616 1.00 1.03 O ATOM 406 CB LEU A 30 1.415 -4.341 4.710 1.00 0.93 C ATOM 407 CG LEU A 30 0.156 -3.542 5.079 1.00 0.87 C ATOM 408 CD1 LEU A 30 0.500 -2.052 5.148 1.00 0.94 C ATOM 409 CD2 LEU A 30 -0.973 -3.705 4.058 1.00 1.19 C ATOM 0 H LEU A 30 0.719 -6.113 6.558 1.00 1.04 H new ATOM 0 HA LEU A 30 0.720 -6.102 3.625 1.00 0.98 H new ATOM 0 HB2 LEU A 30 2.169 -4.161 5.477 1.00 0.93 H new ATOM 0 HB3 LEU A 30 1.809 -3.942 3.775 1.00 0.93 H new ATOM 0 HG LEU A 30 -0.186 -3.928 6.039 1.00 0.87 H new ATOM 0 HD11 LEU A 30 -0.393 -1.484 5.410 1.00 0.94 H new ATOM 0 HD12 LEU A 30 1.268 -1.890 5.905 1.00 0.94 H new ATOM 0 HD13 LEU A 30 0.871 -1.719 4.179 1.00 0.94 H new ATOM 0 HD21 LEU A 30 -1.836 -3.117 4.372 1.00 1.19 H new ATOM 0 HD22 LEU A 30 -0.634 -3.358 3.082 1.00 1.19 H new ATOM 0 HD23 LEU A 30 -1.255 -4.756 3.992 1.00 1.19 H new ATOM 421 N LEU A 31 2.937 -7.550 5.234 1.00 1.19 N ATOM 422 CA LEU A 31 4.243 -8.224 5.234 1.00 1.27 C ATOM 423 C LEU A 31 4.408 -9.097 3.977 1.00 1.40 C ATOM 424 O LEU A 31 3.474 -9.743 3.508 1.00 2.08 O ATOM 425 CB LEU A 31 4.366 -8.996 6.558 1.00 1.41 C ATOM 426 CG LEU A 31 5.727 -9.458 7.110 1.00 1.47 C ATOM 427 CD1 LEU A 31 6.561 -10.326 6.175 1.00 3.06 C ATOM 428 CD2 LEU A 31 6.558 -8.251 7.541 1.00 2.07 C ATOM 0 H LEU A 31 2.280 -7.933 5.914 1.00 1.19 H new ATOM 0 HA LEU A 31 5.064 -7.509 5.182 1.00 1.27 H new ATOM 0 HB2 LEU A 31 3.909 -8.374 7.328 1.00 1.41 H new ATOM 0 HB3 LEU A 31 3.747 -9.888 6.460 1.00 1.41 H new ATOM 0 HG LEU A 31 5.473 -10.097 7.956 1.00 1.47 H new ATOM 0 HD11 LEU A 31 7.497 -10.593 6.665 1.00 3.06 H new ATOM 0 HD12 LEU A 31 6.008 -11.233 5.930 1.00 3.06 H new ATOM 0 HD13 LEU A 31 6.775 -9.774 5.260 1.00 3.06 H new ATOM 0 HD21 LEU A 31 7.518 -8.590 7.930 1.00 2.07 H new ATOM 0 HD22 LEU A 31 6.724 -7.598 6.684 1.00 2.07 H new ATOM 0 HD23 LEU A 31 6.026 -7.702 8.318 1.00 2.07 H new ATOM 440 N GLY A 32 5.607 -9.073 3.402 1.00 1.15 N ATOM 441 CA GLY A 32 5.978 -9.838 2.197 1.00 1.19 C ATOM 442 C GLY A 32 5.375 -9.337 0.874 1.00 1.07 C ATOM 443 O GLY A 32 5.732 -9.835 -0.192 1.00 1.09 O ATOM 0 H GLY A 32 6.374 -8.508 3.765 1.00 1.15 H new ATOM 0 HA2 GLY A 32 7.064 -9.831 2.105 1.00 1.19 H new ATOM 0 HA3 GLY A 32 5.677 -10.876 2.342 1.00 1.19 H new ATOM 447 N VAL A 33 4.510 -8.323 0.898 1.00 1.00 N ATOM 448 CA VAL A 33 3.842 -7.764 -0.288 1.00 0.99 C ATOM 449 C VAL A 33 4.853 -7.242 -1.326 1.00 0.83 C ATOM 450 O VAL A 33 4.662 -7.488 -2.520 1.00 0.99 O ATOM 451 CB VAL A 33 2.831 -6.684 0.153 1.00 1.05 C ATOM 452 CG1 VAL A 33 2.138 -5.986 -1.018 1.00 2.55 C ATOM 453 CG2 VAL A 33 1.722 -7.312 1.010 1.00 1.79 C ATOM 0 H VAL A 33 4.244 -7.852 1.763 1.00 1.00 H new ATOM 0 HA VAL A 33 3.292 -8.559 -0.792 1.00 0.99 H new ATOM 0 HB VAL A 33 3.416 -5.951 0.708 1.00 1.05 H new ATOM 0 HG11 VAL A 33 1.441 -5.240 -0.636 1.00 2.55 H new ATOM 0 HG12 VAL A 33 2.885 -5.498 -1.644 1.00 2.55 H new ATOM 0 HG13 VAL A 33 1.593 -6.722 -1.609 1.00 2.55 H new ATOM 0 HG21 VAL A 33 1.016 -6.539 1.314 1.00 1.79 H new ATOM 0 HG22 VAL A 33 1.200 -8.072 0.429 1.00 1.79 H new ATOM 0 HG23 VAL A 33 2.162 -7.770 1.896 1.00 1.79 H new ATOM 463 N THR A 34 5.975 -6.633 -0.915 1.00 0.72 N ATOM 464 CA THR A 34 7.021 -6.151 -1.853 1.00 0.83 C ATOM 465 C THR A 34 7.764 -7.271 -2.606 1.00 0.93 C ATOM 466 O THR A 34 8.429 -6.990 -3.606 1.00 1.23 O ATOM 467 CB THR A 34 8.033 -5.190 -1.194 1.00 1.04 C ATOM 468 OG1 THR A 34 8.869 -5.852 -0.278 1.00 2.11 O ATOM 469 CG2 THR A 34 7.369 -4.013 -0.485 1.00 2.35 C ATOM 0 H THR A 34 6.190 -6.458 0.067 1.00 0.72 H new ATOM 0 HA THR A 34 6.455 -5.591 -2.597 1.00 0.83 H new ATOM 0 HB THR A 34 8.628 -4.803 -2.021 1.00 1.04 H new ATOM 0 HG1 THR A 34 9.781 -5.503 -0.357 1.00 2.11 H new ATOM 0 HG21 THR A 34 8.135 -3.376 -0.043 1.00 2.35 H new ATOM 0 HG22 THR A 34 6.787 -3.436 -1.204 1.00 2.35 H new ATOM 0 HG23 THR A 34 6.710 -4.385 0.299 1.00 2.35 H new ATOM 477 N ARG A 35 7.599 -8.541 -2.198 1.00 0.87 N ATOM 478 CA ARG A 35 8.090 -9.757 -2.887 1.00 1.07 C ATOM 479 C ARG A 35 6.974 -10.694 -3.381 1.00 1.14 C ATOM 480 O ARG A 35 7.276 -11.799 -3.840 1.00 1.42 O ATOM 481 CB ARG A 35 9.137 -10.471 -2.003 1.00 1.27 C ATOM 482 CG ARG A 35 8.560 -10.981 -0.674 1.00 1.42 C ATOM 483 CD ARG A 35 9.557 -11.796 0.150 1.00 2.21 C ATOM 484 NE ARG A 35 8.889 -12.337 1.346 1.00 3.40 N ATOM 485 CZ ARG A 35 9.381 -12.379 2.599 1.00 4.77 C ATOM 486 NH1 ARG A 35 10.615 -11.943 2.895 1.00 5.32 N ATOM 487 NH2 ARG A 35 8.610 -12.872 3.578 1.00 6.09 N ATOM 0 H ARG A 35 7.096 -8.763 -1.339 1.00 0.87 H new ATOM 0 HA ARG A 35 8.577 -9.435 -3.807 1.00 1.07 H new ATOM 0 HB2 ARG A 35 9.557 -11.311 -2.556 1.00 1.27 H new ATOM 0 HB3 ARG A 35 9.957 -9.784 -1.796 1.00 1.27 H new ATOM 0 HG2 ARG A 35 8.222 -10.130 -0.083 1.00 1.42 H new ATOM 0 HG3 ARG A 35 7.683 -11.595 -0.879 1.00 1.42 H new ATOM 0 HD2 ARG A 35 9.961 -12.610 -0.452 1.00 2.21 H new ATOM 0 HD3 ARG A 35 10.399 -11.169 0.444 1.00 2.21 H new ATOM 0 HE ARG A 35 7.954 -12.721 1.211 1.00 3.40 H new ATOM 0 HH11 ARG A 35 11.212 -11.565 2.160 1.00 5.32 H new ATOM 0 HH12 ARG A 35 10.956 -11.990 3.855 1.00 5.32 H new ATOM 0 HH21 ARG A 35 7.670 -13.206 3.367 1.00 6.09 H new ATOM 0 HH22 ARG A 35 8.963 -12.913 4.534 1.00 6.09 H new ATOM 501 N GLN A 36 5.703 -10.280 -3.307 1.00 1.21 N ATOM 502 CA GLN A 36 4.537 -11.073 -3.746 1.00 1.37 C ATOM 503 C GLN A 36 3.606 -10.360 -4.747 1.00 1.29 C ATOM 504 O GLN A 36 2.692 -10.996 -5.281 1.00 1.41 O ATOM 505 CB GLN A 36 3.754 -11.576 -2.516 1.00 1.46 C ATOM 506 CG GLN A 36 4.497 -12.641 -1.686 1.00 2.15 C ATOM 507 CD GLN A 36 4.808 -13.942 -2.432 1.00 3.67 C ATOM 508 OE1 GLN A 36 4.393 -14.187 -3.561 1.00 4.74 O ATOM 509 NE2 GLN A 36 5.569 -14.820 -1.825 1.00 4.59 N ATOM 0 H GLN A 36 5.446 -9.366 -2.933 1.00 1.21 H new ATOM 0 HA GLN A 36 4.941 -11.917 -4.305 1.00 1.37 H new ATOM 0 HB2 GLN A 36 3.524 -10.726 -1.873 1.00 1.46 H new ATOM 0 HB3 GLN A 36 2.803 -11.990 -2.850 1.00 1.46 H new ATOM 0 HG2 GLN A 36 5.433 -12.213 -1.328 1.00 2.15 H new ATOM 0 HG3 GLN A 36 3.898 -12.878 -0.807 1.00 2.15 H new ATOM 0 HE21 GLN A 36 5.920 -14.628 -0.887 1.00 4.59 H new ATOM 0 HE22 GLN A 36 5.810 -15.695 -2.291 1.00 4.59 H new ATOM 518 N ARG A 37 3.840 -9.076 -5.037 1.00 1.31 N ATOM 519 CA ARG A 37 3.218 -8.302 -6.131 1.00 1.46 C ATOM 520 C ARG A 37 4.300 -7.893 -7.137 1.00 1.50 C ATOM 521 O ARG A 37 5.447 -7.699 -6.730 1.00 1.92 O ATOM 522 CB ARG A 37 2.536 -7.045 -5.564 1.00 1.77 C ATOM 523 CG ARG A 37 1.496 -7.296 -4.465 1.00 1.78 C ATOM 524 CD ARG A 37 0.257 -8.057 -4.943 1.00 1.58 C ATOM 525 NE ARG A 37 -0.613 -8.360 -3.799 1.00 1.38 N ATOM 526 CZ ARG A 37 -0.649 -9.524 -3.123 1.00 1.70 C ATOM 527 NH1 ARG A 37 0.012 -10.614 -3.539 1.00 2.51 N ATOM 528 NH2 ARG A 37 -1.363 -9.593 -1.992 1.00 1.82 N ATOM 0 H ARG A 37 4.498 -8.517 -4.494 1.00 1.31 H new ATOM 0 HA ARG A 37 2.468 -8.917 -6.628 1.00 1.46 H new ATOM 0 HB2 ARG A 37 3.306 -6.383 -5.167 1.00 1.77 H new ATOM 0 HB3 ARG A 37 2.052 -6.515 -6.384 1.00 1.77 H new ATOM 0 HG2 ARG A 37 1.965 -7.857 -3.657 1.00 1.78 H new ATOM 0 HG3 ARG A 37 1.184 -6.338 -4.049 1.00 1.78 H new ATOM 0 HD2 ARG A 37 -0.286 -7.462 -5.677 1.00 1.58 H new ATOM 0 HD3 ARG A 37 0.555 -8.980 -5.439 1.00 1.58 H new ATOM 0 HE ARG A 37 -1.246 -7.623 -3.489 1.00 1.38 H new ATOM 0 HH11 ARG A 37 0.566 -10.579 -4.395 1.00 2.51 H new ATOM 0 HH12 ARG A 37 -0.039 -11.478 -3.000 1.00 2.51 H new ATOM 0 HH21 ARG A 37 -1.868 -8.772 -1.657 1.00 1.82 H new ATOM 0 HH22 ARG A 37 -1.402 -10.466 -1.466 1.00 1.82 H new ATOM 542 N ASP A 38 3.944 -7.656 -8.402 1.00 1.51 N ATOM 543 CA ASP A 38 4.857 -6.979 -9.338 1.00 1.50 C ATOM 544 C ASP A 38 5.137 -5.553 -8.848 1.00 1.45 C ATOM 545 O ASP A 38 4.213 -4.805 -8.517 1.00 1.63 O ATOM 546 CB ASP A 38 4.299 -6.977 -10.775 1.00 1.72 C ATOM 547 CG ASP A 38 5.422 -6.902 -11.816 1.00 2.71 C ATOM 548 OD1 ASP A 38 6.211 -7.880 -11.915 1.00 3.72 O ATOM 549 OD2 ASP A 38 5.542 -5.879 -12.530 1.00 3.48 O ATOM 0 H ASP A 38 3.043 -7.917 -8.802 1.00 1.51 H new ATOM 0 HA ASP A 38 5.796 -7.532 -9.365 1.00 1.50 H new ATOM 0 HB2 ASP A 38 3.710 -7.880 -10.939 1.00 1.72 H new ATOM 0 HB3 ASP A 38 3.626 -6.129 -10.903 1.00 1.72 H new ATOM 554 N ALA A 39 6.411 -5.175 -8.773 1.00 1.32 N ATOM 555 CA ALA A 39 6.843 -3.957 -8.102 1.00 1.30 C ATOM 556 C ALA A 39 6.239 -2.700 -8.747 1.00 1.27 C ATOM 557 O ALA A 39 5.686 -1.844 -8.056 1.00 1.59 O ATOM 558 CB ALA A 39 8.373 -3.949 -8.111 1.00 1.48 C ATOM 0 H ALA A 39 7.177 -5.712 -9.180 1.00 1.32 H new ATOM 0 HA ALA A 39 6.483 -3.942 -7.073 1.00 1.30 H new ATOM 0 HB1 ALA A 39 8.735 -3.048 -7.615 1.00 1.48 H new ATOM 0 HB2 ALA A 39 8.745 -4.828 -7.584 1.00 1.48 H new ATOM 0 HB3 ALA A 39 8.731 -3.965 -9.140 1.00 1.48 H new ATOM 564 N ASN A 40 6.249 -2.621 -10.081 1.00 1.24 N ATOM 565 CA ASN A 40 5.681 -1.488 -10.809 1.00 1.27 C ATOM 566 C ASN A 40 4.141 -1.414 -10.773 1.00 1.31 C ATOM 567 O ASN A 40 3.613 -0.318 -10.971 1.00 1.77 O ATOM 568 CB ASN A 40 6.238 -1.490 -12.240 1.00 1.37 C ATOM 569 CG ASN A 40 7.648 -0.937 -12.278 1.00 1.92 C ATOM 570 OD1 ASN A 40 7.856 0.270 -12.231 1.00 2.81 O ATOM 571 ND2 ASN A 40 8.649 -1.781 -12.297 1.00 2.70 N ATOM 0 H ASN A 40 6.650 -3.340 -10.683 1.00 1.24 H new ATOM 0 HA ASN A 40 5.990 -0.577 -10.296 1.00 1.27 H new ATOM 0 HB2 ASN A 40 6.232 -2.506 -12.634 1.00 1.37 H new ATOM 0 HB3 ASN A 40 5.593 -0.894 -12.885 1.00 1.37 H new ATOM 0 HD21 ASN A 40 9.608 -1.435 -12.273 1.00 2.70 H new ATOM 0 HD22 ASN A 40 8.469 -2.784 -12.336 1.00 2.70 H new ATOM 578 N TRP A 41 3.431 -2.512 -10.472 1.00 0.94 N ATOM 579 CA TRP A 41 2.010 -2.476 -10.096 1.00 0.82 C ATOM 580 C TRP A 41 1.842 -1.962 -8.661 1.00 0.81 C ATOM 581 O TRP A 41 1.065 -1.043 -8.420 1.00 0.78 O ATOM 582 CB TRP A 41 1.355 -3.867 -10.241 1.00 0.74 C ATOM 583 CG TRP A 41 -0.118 -3.899 -9.929 1.00 0.69 C ATOM 584 CD1 TRP A 41 -1.125 -3.711 -10.816 1.00 0.70 C ATOM 585 CD2 TRP A 41 -0.774 -4.091 -8.632 1.00 0.69 C ATOM 586 NE1 TRP A 41 -2.345 -3.761 -10.164 1.00 0.70 N ATOM 587 CE2 TRP A 41 -2.183 -3.951 -8.810 1.00 0.71 C ATOM 588 CE3 TRP A 41 -0.322 -4.362 -7.319 1.00 0.76 C ATOM 589 CZ2 TRP A 41 -3.089 -4.034 -7.745 1.00 0.80 C ATOM 590 CZ3 TRP A 41 -1.226 -4.450 -6.239 1.00 0.84 C ATOM 591 CH2 TRP A 41 -2.606 -4.281 -6.450 1.00 0.87 C ATOM 0 H TRP A 41 3.827 -3.452 -10.483 1.00 0.94 H new ATOM 0 HA TRP A 41 1.507 -1.790 -10.777 1.00 0.82 H new ATOM 0 HB2 TRP A 41 1.505 -4.221 -11.261 1.00 0.74 H new ATOM 0 HB3 TRP A 41 1.868 -4.567 -9.582 1.00 0.74 H new ATOM 0 HD1 TRP A 41 -0.995 -3.546 -11.875 1.00 0.70 H new ATOM 0 HE1 TRP A 41 -3.249 -3.669 -10.628 1.00 0.70 H new ATOM 0 HE3 TRP A 41 0.734 -4.504 -7.140 1.00 0.76 H new ATOM 0 HZ2 TRP A 41 -4.148 -3.909 -7.918 1.00 0.80 H new ATOM 0 HZ3 TRP A 41 -0.856 -4.648 -5.244 1.00 0.84 H new ATOM 0 HH2 TRP A 41 -3.292 -4.341 -5.618 1.00 0.87 H new ATOM 602 N LEU A 42 2.599 -2.511 -7.705 1.00 0.86 N ATOM 603 CA LEU A 42 2.439 -2.241 -6.272 1.00 0.86 C ATOM 604 C LEU A 42 2.753 -0.787 -5.910 1.00 0.82 C ATOM 605 O LEU A 42 1.968 -0.146 -5.207 1.00 0.86 O ATOM 606 CB LEU A 42 3.306 -3.256 -5.500 1.00 0.96 C ATOM 607 CG LEU A 42 3.227 -3.270 -3.957 1.00 1.10 C ATOM 608 CD1 LEU A 42 4.108 -2.211 -3.290 1.00 2.47 C ATOM 609 CD2 LEU A 42 1.801 -3.132 -3.419 1.00 2.44 C ATOM 0 H LEU A 42 3.353 -3.167 -7.909 1.00 0.86 H new ATOM 0 HA LEU A 42 1.395 -2.369 -5.986 1.00 0.86 H new ATOM 0 HB2 LEU A 42 3.044 -4.253 -5.854 1.00 0.96 H new ATOM 0 HB3 LEU A 42 4.346 -3.082 -5.777 1.00 0.96 H new ATOM 0 HG LEU A 42 3.608 -4.257 -3.693 1.00 1.10 H new ATOM 0 HD11 LEU A 42 4.002 -2.279 -2.207 1.00 2.47 H new ATOM 0 HD12 LEU A 42 5.149 -2.379 -3.564 1.00 2.47 H new ATOM 0 HD13 LEU A 42 3.800 -1.220 -3.623 1.00 2.47 H new ATOM 0 HD21 LEU A 42 1.820 -3.150 -2.329 1.00 2.44 H new ATOM 0 HD22 LEU A 42 1.373 -2.189 -3.759 1.00 2.44 H new ATOM 0 HD23 LEU A 42 1.193 -3.959 -3.785 1.00 2.44 H new ATOM 621 N VAL A 43 3.867 -0.246 -6.411 1.00 0.82 N ATOM 622 CA VAL A 43 4.276 1.140 -6.129 1.00 0.83 C ATOM 623 C VAL A 43 3.354 2.154 -6.828 1.00 0.83 C ATOM 624 O VAL A 43 3.128 3.240 -6.301 1.00 0.99 O ATOM 625 CB VAL A 43 5.771 1.361 -6.447 1.00 0.90 C ATOM 626 CG1 VAL A 43 6.234 2.757 -6.019 1.00 1.18 C ATOM 627 CG2 VAL A 43 6.670 0.355 -5.709 1.00 1.13 C ATOM 0 H VAL A 43 4.510 -0.750 -7.021 1.00 0.82 H new ATOM 0 HA VAL A 43 4.162 1.315 -5.059 1.00 0.83 H new ATOM 0 HB VAL A 43 5.862 1.234 -7.526 1.00 0.90 H new ATOM 0 HG11 VAL A 43 7.291 2.879 -6.257 1.00 1.18 H new ATOM 0 HG12 VAL A 43 5.653 3.512 -6.549 1.00 1.18 H new ATOM 0 HG13 VAL A 43 6.088 2.875 -4.945 1.00 1.18 H new ATOM 0 HG21 VAL A 43 7.713 0.546 -5.961 1.00 1.13 H new ATOM 0 HG22 VAL A 43 6.531 0.463 -4.633 1.00 1.13 H new ATOM 0 HG23 VAL A 43 6.404 -0.659 -6.009 1.00 1.13 H new ATOM 637 N ARG A 44 2.718 1.775 -7.947 1.00 0.71 N ATOM 638 CA ARG A 44 1.598 2.530 -8.541 1.00 0.69 C ATOM 639 C ARG A 44 0.323 2.454 -7.692 1.00 0.70 C ATOM 640 O ARG A 44 -0.262 3.493 -7.390 1.00 0.83 O ATOM 641 CB ARG A 44 1.333 2.102 -9.993 1.00 0.68 C ATOM 642 CG ARG A 44 2.346 2.716 -10.970 1.00 2.00 C ATOM 643 CD ARG A 44 2.012 2.303 -12.411 1.00 2.19 C ATOM 644 NE ARG A 44 2.828 3.024 -13.400 1.00 3.64 N ATOM 645 CZ ARG A 44 4.106 2.757 -13.725 1.00 5.11 C ATOM 646 NH1 ARG A 44 4.805 1.786 -13.119 1.00 5.83 N ATOM 647 NH2 ARG A 44 4.698 3.484 -14.682 1.00 6.51 N ATOM 0 H ARG A 44 2.965 0.934 -8.469 1.00 0.71 H new ATOM 0 HA ARG A 44 1.903 3.576 -8.555 1.00 0.69 H new ATOM 0 HB2 ARG A 44 1.375 1.015 -10.064 1.00 0.68 H new ATOM 0 HB3 ARG A 44 0.325 2.401 -10.281 1.00 0.68 H new ATOM 0 HG2 ARG A 44 2.333 3.802 -10.883 1.00 2.00 H new ATOM 0 HG3 ARG A 44 3.353 2.388 -10.714 1.00 2.00 H new ATOM 0 HD2 ARG A 44 2.170 1.231 -12.525 1.00 2.19 H new ATOM 0 HD3 ARG A 44 0.956 2.493 -12.606 1.00 2.19 H new ATOM 0 HE ARG A 44 2.382 3.802 -13.886 1.00 3.64 H new ATOM 0 HH11 ARG A 44 4.369 1.224 -12.388 1.00 5.83 H new ATOM 0 HH12 ARG A 44 5.773 1.609 -13.389 1.00 5.83 H new ATOM 0 HH21 ARG A 44 4.180 4.227 -15.152 1.00 6.51 H new ATOM 0 HH22 ARG A 44 5.666 3.295 -14.941 1.00 6.51 H new ATOM 661 N TRP A 45 -0.089 1.247 -7.293 1.00 0.65 N ATOM 662 CA TRP A 45 -1.301 0.958 -6.512 1.00 0.69 C ATOM 663 C TRP A 45 -1.337 1.742 -5.203 1.00 0.73 C ATOM 664 O TRP A 45 -2.256 2.530 -4.989 1.00 0.81 O ATOM 665 CB TRP A 45 -1.396 -0.557 -6.240 1.00 0.75 C ATOM 666 CG TRP A 45 -2.378 -0.994 -5.184 1.00 0.84 C ATOM 667 CD1 TRP A 45 -2.086 -1.738 -4.090 1.00 1.18 C ATOM 668 CD2 TRP A 45 -3.815 -0.739 -5.103 1.00 0.77 C ATOM 669 NE1 TRP A 45 -3.240 -1.984 -3.366 1.00 1.27 N ATOM 670 CE2 TRP A 45 -4.337 -1.395 -3.951 1.00 1.02 C ATOM 671 CE3 TRP A 45 -4.732 -0.015 -5.892 1.00 0.77 C ATOM 672 CZ2 TRP A 45 -5.699 -1.358 -3.614 1.00 1.10 C ATOM 673 CZ3 TRP A 45 -6.101 0.036 -5.563 1.00 0.94 C ATOM 674 CH2 TRP A 45 -6.585 -0.636 -4.427 1.00 1.02 C ATOM 0 H TRP A 45 0.437 0.402 -7.515 1.00 0.65 H new ATOM 0 HA TRP A 45 -2.163 1.276 -7.099 1.00 0.69 H new ATOM 0 HB2 TRP A 45 -1.657 -1.055 -7.174 1.00 0.75 H new ATOM 0 HB3 TRP A 45 -0.407 -0.914 -5.954 1.00 0.75 H new ATOM 0 HD1 TRP A 45 -1.100 -2.087 -3.823 1.00 1.18 H new ATOM 0 HE1 TRP A 45 -3.273 -2.533 -2.507 1.00 1.27 H new ATOM 0 HE3 TRP A 45 -4.378 0.511 -6.766 1.00 0.77 H new ATOM 0 HZ2 TRP A 45 -6.060 -1.879 -2.740 1.00 1.10 H new ATOM 0 HZ3 TRP A 45 -6.783 0.595 -6.187 1.00 0.94 H new ATOM 0 HH2 TRP A 45 -7.636 -0.596 -4.181 1.00 1.02 H new ATOM 685 N LEU A 46 -0.313 1.594 -4.358 1.00 0.78 N ATOM 686 CA LEU A 46 -0.295 2.216 -3.029 1.00 0.94 C ATOM 687 C LEU A 46 -0.124 3.750 -3.061 1.00 1.02 C ATOM 688 O LEU A 46 -0.278 4.398 -2.028 1.00 1.26 O ATOM 689 CB LEU A 46 0.673 1.447 -2.098 1.00 1.15 C ATOM 690 CG LEU A 46 2.009 2.112 -1.724 1.00 1.28 C ATOM 691 CD1 LEU A 46 2.708 1.295 -0.634 1.00 2.42 C ATOM 692 CD2 LEU A 46 2.930 2.146 -2.929 1.00 1.93 C ATOM 0 H LEU A 46 0.520 1.045 -4.572 1.00 0.78 H new ATOM 0 HA LEU A 46 -1.285 2.116 -2.585 1.00 0.94 H new ATOM 0 HB2 LEU A 46 0.140 1.228 -1.173 1.00 1.15 H new ATOM 0 HB3 LEU A 46 0.898 0.491 -2.570 1.00 1.15 H new ATOM 0 HG LEU A 46 1.800 3.123 -1.375 1.00 1.28 H new ATOM 0 HD11 LEU A 46 3.654 1.770 -0.373 1.00 2.42 H new ATOM 0 HD12 LEU A 46 2.071 1.246 0.249 1.00 2.42 H new ATOM 0 HD13 LEU A 46 2.898 0.286 -1.001 1.00 2.42 H new ATOM 0 HD21 LEU A 46 3.873 2.619 -2.653 1.00 1.93 H new ATOM 0 HD22 LEU A 46 3.120 1.128 -3.270 1.00 1.93 H new ATOM 0 HD23 LEU A 46 2.460 2.715 -3.731 1.00 1.93 H new ATOM 704 N LYS A 47 0.183 4.320 -4.236 1.00 0.90 N ATOM 705 CA LYS A 47 0.390 5.753 -4.488 1.00 1.07 C ATOM 706 C LYS A 47 -0.858 6.472 -5.008 1.00 1.06 C ATOM 707 O LYS A 47 -0.987 7.672 -4.774 1.00 1.33 O ATOM 708 CB LYS A 47 1.582 5.869 -5.455 1.00 1.25 C ATOM 709 CG LYS A 47 2.032 7.293 -5.810 1.00 1.13 C ATOM 710 CD LYS A 47 3.508 7.336 -6.250 1.00 1.56 C ATOM 711 CE LYS A 47 3.853 6.353 -7.380 1.00 2.45 C ATOM 712 NZ LYS A 47 5.319 6.252 -7.573 1.00 3.32 N ATOM 0 H LYS A 47 0.300 3.762 -5.082 1.00 0.90 H new ATOM 0 HA LYS A 47 0.604 6.261 -3.548 1.00 1.07 H new ATOM 0 HB2 LYS A 47 2.430 5.341 -5.018 1.00 1.25 H new ATOM 0 HB3 LYS A 47 1.325 5.351 -6.379 1.00 1.25 H new ATOM 0 HG2 LYS A 47 1.403 7.684 -6.610 1.00 1.13 H new ATOM 0 HG3 LYS A 47 1.891 7.944 -4.947 1.00 1.13 H new ATOM 0 HD2 LYS A 47 3.750 8.348 -6.576 1.00 1.56 H new ATOM 0 HD3 LYS A 47 4.140 7.119 -5.388 1.00 1.56 H new ATOM 0 HE2 LYS A 47 3.446 5.369 -7.147 1.00 2.45 H new ATOM 0 HE3 LYS A 47 3.383 6.681 -8.307 1.00 2.45 H new ATOM 0 HZ1 LYS A 47 5.519 5.840 -8.507 1.00 3.32 H new ATOM 0 HZ2 LYS A 47 5.743 7.200 -7.515 1.00 3.32 H new ATOM 0 HZ3 LYS A 47 5.726 5.645 -6.833 1.00 3.32 H new ATOM 726 N VAL A 48 -1.773 5.777 -5.694 1.00 0.85 N ATOM 727 CA VAL A 48 -2.988 6.380 -6.284 1.00 0.85 C ATOM 728 C VAL A 48 -4.205 5.415 -6.291 1.00 0.74 C ATOM 729 O VAL A 48 -4.857 5.223 -7.320 1.00 0.73 O ATOM 730 CB VAL A 48 -2.622 7.018 -7.652 1.00 0.94 C ATOM 731 CG1 VAL A 48 -2.492 6.050 -8.834 1.00 1.42 C ATOM 732 CG2 VAL A 48 -3.563 8.171 -8.002 1.00 1.65 C ATOM 0 H VAL A 48 -1.697 4.773 -5.860 1.00 0.85 H new ATOM 0 HA VAL A 48 -3.346 7.189 -5.647 1.00 0.85 H new ATOM 0 HB VAL A 48 -1.612 7.397 -7.495 1.00 0.94 H new ATOM 0 HG11 VAL A 48 -2.234 6.608 -9.734 1.00 1.42 H new ATOM 0 HG12 VAL A 48 -1.710 5.321 -8.623 1.00 1.42 H new ATOM 0 HG13 VAL A 48 -3.439 5.533 -8.986 1.00 1.42 H new ATOM 0 HG21 VAL A 48 -3.278 8.594 -8.965 1.00 1.65 H new ATOM 0 HG22 VAL A 48 -4.587 7.801 -8.057 1.00 1.65 H new ATOM 0 HG23 VAL A 48 -3.496 8.941 -7.234 1.00 1.65 H new ATOM 742 N PRO A 49 -4.547 4.767 -5.157 1.00 0.73 N ATOM 743 CA PRO A 49 -5.445 3.601 -5.144 1.00 0.71 C ATOM 744 C PRO A 49 -6.854 3.889 -5.687 1.00 0.76 C ATOM 745 O PRO A 49 -7.413 3.081 -6.428 1.00 0.97 O ATOM 746 CB PRO A 49 -5.479 3.134 -3.683 1.00 0.73 C ATOM 747 CG PRO A 49 -5.108 4.386 -2.885 1.00 0.82 C ATOM 748 CD PRO A 49 -4.103 5.076 -3.804 1.00 0.82 C ATOM 0 HA PRO A 49 -5.070 2.830 -5.818 1.00 0.71 H new ATOM 0 HB2 PRO A 49 -6.465 2.762 -3.406 1.00 0.73 H new ATOM 0 HB3 PRO A 49 -4.771 2.324 -3.506 1.00 0.73 H new ATOM 0 HG2 PRO A 49 -5.977 5.014 -2.689 1.00 0.82 H new ATOM 0 HG3 PRO A 49 -4.670 4.137 -1.919 1.00 0.82 H new ATOM 0 HD2 PRO A 49 -4.086 6.152 -3.631 1.00 0.82 H new ATOM 0 HD3 PRO A 49 -3.092 4.709 -3.628 1.00 0.82 H new ATOM 756 N ASP A 50 -7.406 5.069 -5.396 1.00 0.78 N ATOM 757 CA ASP A 50 -8.725 5.486 -5.878 1.00 0.88 C ATOM 758 C ASP A 50 -8.778 5.641 -7.411 1.00 0.87 C ATOM 759 O ASP A 50 -9.737 5.186 -8.041 1.00 0.95 O ATOM 760 CB ASP A 50 -9.098 6.783 -5.156 1.00 1.10 C ATOM 761 CG ASP A 50 -10.513 7.247 -5.492 1.00 1.24 C ATOM 762 OD1 ASP A 50 -11.473 6.507 -5.162 1.00 2.21 O ATOM 763 OD2 ASP A 50 -10.663 8.335 -6.098 1.00 2.38 O ATOM 0 H ASP A 50 -6.946 5.769 -4.814 1.00 0.78 H new ATOM 0 HA ASP A 50 -9.454 4.709 -5.651 1.00 0.88 H new ATOM 0 HB2 ASP A 50 -9.013 6.634 -4.080 1.00 1.10 H new ATOM 0 HB3 ASP A 50 -8.388 7.564 -5.427 1.00 1.10 H new ATOM 768 N GLN A 51 -7.727 6.198 -8.027 1.00 0.86 N ATOM 769 CA GLN A 51 -7.583 6.264 -9.485 1.00 0.90 C ATOM 770 C GLN A 51 -7.353 4.868 -10.086 1.00 0.84 C ATOM 771 O GLN A 51 -7.871 4.567 -11.157 1.00 0.89 O ATOM 772 CB GLN A 51 -6.410 7.190 -9.845 1.00 1.03 C ATOM 773 CG GLN A 51 -6.333 7.539 -11.340 1.00 1.43 C ATOM 774 CD GLN A 51 -4.923 7.926 -11.781 1.00 2.37 C ATOM 775 OE1 GLN A 51 -4.592 9.087 -11.994 1.00 2.73 O ATOM 776 NE2 GLN A 51 -4.039 6.971 -11.967 1.00 3.60 N ATOM 0 H GLN A 51 -6.947 6.619 -7.522 1.00 0.86 H new ATOM 0 HA GLN A 51 -8.507 6.662 -9.904 1.00 0.90 H new ATOM 0 HB2 GLN A 51 -6.497 8.112 -9.270 1.00 1.03 H new ATOM 0 HB3 GLN A 51 -5.477 6.713 -9.544 1.00 1.03 H new ATOM 0 HG2 GLN A 51 -6.672 6.685 -11.927 1.00 1.43 H new ATOM 0 HG3 GLN A 51 -7.015 8.362 -11.553 1.00 1.43 H new ATOM 0 HE21 GLN A 51 -4.295 5.999 -11.795 1.00 3.60 H new ATOM 0 HE22 GLN A 51 -3.097 7.202 -12.283 1.00 3.60 H new ATOM 785 N MET A 52 -6.612 3.986 -9.406 1.00 0.80 N ATOM 786 CA MET A 52 -6.363 2.626 -9.897 1.00 0.80 C ATOM 787 C MET A 52 -7.647 1.781 -9.943 1.00 0.80 C ATOM 788 O MET A 52 -7.860 1.019 -10.883 1.00 0.84 O ATOM 789 CB MET A 52 -5.292 1.956 -9.027 1.00 0.81 C ATOM 790 CG MET A 52 -4.809 0.629 -9.629 1.00 1.32 C ATOM 791 SD MET A 52 -3.827 0.809 -11.141 1.00 1.63 S ATOM 792 CE MET A 52 -2.213 1.150 -10.394 1.00 1.53 C ATOM 0 H MET A 52 -6.172 4.192 -8.509 1.00 0.80 H new ATOM 0 HA MET A 52 -6.002 2.696 -10.923 1.00 0.80 H new ATOM 0 HB2 MET A 52 -4.444 2.631 -8.911 1.00 0.81 H new ATOM 0 HB3 MET A 52 -5.695 1.777 -8.030 1.00 0.81 H new ATOM 0 HG2 MET A 52 -4.214 0.101 -8.884 1.00 1.32 H new ATOM 0 HG3 MET A 52 -5.676 0.005 -9.845 1.00 1.32 H new ATOM 0 HE1 MET A 52 -1.455 1.203 -11.175 1.00 1.53 H new ATOM 0 HE2 MET A 52 -2.252 2.100 -9.861 1.00 1.53 H new ATOM 0 HE3 MET A 52 -1.959 0.352 -9.696 1.00 1.53 H new ATOM 802 N LEU A 53 -8.546 1.941 -8.969 1.00 0.79 N ATOM 803 CA LEU A 53 -9.863 1.308 -9.023 1.00 0.82 C ATOM 804 C LEU A 53 -10.762 1.961 -10.098 1.00 0.87 C ATOM 805 O LEU A 53 -11.530 1.268 -10.775 1.00 0.92 O ATOM 806 CB LEU A 53 -10.457 1.321 -7.602 1.00 0.85 C ATOM 807 CG LEU A 53 -11.574 0.286 -7.389 1.00 1.00 C ATOM 808 CD1 LEU A 53 -11.070 -1.163 -7.481 1.00 1.94 C ATOM 809 CD2 LEU A 53 -12.198 0.475 -6.005 1.00 2.12 C ATOM 0 H LEU A 53 -8.385 2.504 -8.134 1.00 0.79 H new ATOM 0 HA LEU A 53 -9.783 0.268 -9.341 1.00 0.82 H new ATOM 0 HB2 LEU A 53 -9.659 1.135 -6.883 1.00 0.85 H new ATOM 0 HB3 LEU A 53 -10.850 2.315 -7.391 1.00 0.85 H new ATOM 0 HG LEU A 53 -12.302 0.450 -8.184 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -11.902 -1.849 -7.322 1.00 1.94 H new ATOM 0 HD12 LEU A 53 -10.640 -1.337 -8.467 1.00 1.94 H new ATOM 0 HD13 LEU A 53 -10.310 -1.333 -6.719 1.00 1.94 H new ATOM 0 HD21 LEU A 53 -12.989 -0.261 -5.859 1.00 2.12 H new ATOM 0 HD22 LEU A 53 -11.433 0.342 -5.240 1.00 2.12 H new ATOM 0 HD23 LEU A 53 -12.617 1.478 -5.929 1.00 2.12 H new ATOM 821 N ALA A 54 -10.612 3.271 -10.330 1.00 0.91 N ATOM 822 CA ALA A 54 -11.286 3.998 -11.410 1.00 1.02 C ATOM 823 C ALA A 54 -10.743 3.695 -12.826 1.00 1.10 C ATOM 824 O ALA A 54 -11.473 3.889 -13.798 1.00 1.30 O ATOM 825 CB ALA A 54 -11.252 5.498 -11.095 1.00 1.07 C ATOM 0 H ALA A 54 -10.008 3.865 -9.762 1.00 0.91 H new ATOM 0 HA ALA A 54 -12.316 3.644 -11.443 1.00 1.02 H new ATOM 0 HB1 ALA A 54 -11.751 6.049 -11.892 1.00 1.07 H new ATOM 0 HB2 ALA A 54 -11.764 5.683 -10.151 1.00 1.07 H new ATOM 0 HB3 ALA A 54 -10.217 5.830 -11.018 1.00 1.07 H new ATOM 831 N GLU A 55 -9.510 3.197 -12.995 1.00 1.02 N ATOM 832 CA GLU A 55 -8.980 2.777 -14.310 1.00 1.05 C ATOM 833 C GLU A 55 -9.445 1.370 -14.735 1.00 1.00 C ATOM 834 O GLU A 55 -9.115 0.922 -15.840 1.00 1.26 O ATOM 835 CB GLU A 55 -7.446 2.964 -14.417 1.00 1.09 C ATOM 836 CG GLU A 55 -6.570 1.843 -13.834 1.00 1.58 C ATOM 837 CD GLU A 55 -5.111 1.901 -14.312 1.00 2.23 C ATOM 838 OE1 GLU A 55 -4.503 3.003 -14.371 1.00 2.75 O ATOM 839 OE2 GLU A 55 -4.531 0.831 -14.622 1.00 3.36 O ATOM 0 H GLU A 55 -8.849 3.072 -12.228 1.00 1.02 H new ATOM 0 HA GLU A 55 -9.422 3.457 -15.039 1.00 1.05 H new ATOM 0 HB2 GLU A 55 -7.191 3.082 -15.470 1.00 1.09 H new ATOM 0 HB3 GLU A 55 -7.182 3.896 -13.918 1.00 1.09 H new ATOM 0 HG2 GLU A 55 -6.591 1.903 -12.746 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -6.997 0.878 -14.108 1.00 1.58 H new ATOM 846 N LYS A 56 -10.206 0.675 -13.876 1.00 0.91 N ATOM 847 CA LYS A 56 -10.615 -0.739 -14.003 1.00 0.97 C ATOM 848 C LYS A 56 -9.393 -1.666 -14.090 1.00 0.94 C ATOM 849 O LYS A 56 -9.083 -2.233 -15.143 1.00 1.55 O ATOM 850 CB LYS A 56 -11.649 -0.931 -15.135 1.00 1.44 C ATOM 851 CG LYS A 56 -12.885 -0.022 -14.989 1.00 2.30 C ATOM 852 CD LYS A 56 -13.882 -0.241 -16.135 1.00 3.08 C ATOM 853 CE LYS A 56 -14.923 0.887 -16.150 1.00 4.23 C ATOM 854 NZ LYS A 56 -15.629 0.955 -17.452 1.00 5.02 N ATOM 0 H LYS A 56 -10.574 1.104 -13.027 1.00 0.91 H new ATOM 0 HA LYS A 56 -11.137 -1.036 -13.093 1.00 0.97 H new ATOM 0 HB2 LYS A 56 -11.170 -0.731 -16.093 1.00 1.44 H new ATOM 0 HB3 LYS A 56 -11.972 -1.972 -15.151 1.00 1.44 H new ATOM 0 HG2 LYS A 56 -13.375 -0.222 -14.036 1.00 2.30 H new ATOM 0 HG3 LYS A 56 -12.571 1.022 -14.973 1.00 2.30 H new ATOM 0 HD2 LYS A 56 -13.353 -0.271 -17.087 1.00 3.08 H new ATOM 0 HD3 LYS A 56 -14.379 -1.204 -16.016 1.00 3.08 H new ATOM 0 HE2 LYS A 56 -15.646 0.727 -15.350 1.00 4.23 H new ATOM 0 HE3 LYS A 56 -14.432 1.840 -15.950 1.00 4.23 H new ATOM 0 HZ1 LYS A 56 -16.325 1.727 -17.429 1.00 5.02 H new ATOM 0 HZ2 LYS A 56 -14.941 1.132 -18.211 1.00 5.02 H new ATOM 0 HZ3 LYS A 56 -16.117 0.054 -17.630 1.00 5.02 H new ATOM 868 N ASP A 57 -8.698 -1.788 -12.962 1.00 0.89 N ATOM 869 CA ASP A 57 -7.559 -2.673 -12.724 1.00 1.05 C ATOM 870 C ASP A 57 -8.089 -3.935 -12.035 1.00 1.11 C ATOM 871 O ASP A 57 -8.601 -3.867 -10.912 1.00 1.18 O ATOM 872 CB ASP A 57 -6.495 -1.978 -11.866 1.00 1.23 C ATOM 873 CG ASP A 57 -5.237 -2.841 -11.739 1.00 1.74 C ATOM 874 OD1 ASP A 57 -5.282 -3.940 -11.140 1.00 3.27 O ATOM 875 OD2 ASP A 57 -4.194 -2.448 -12.298 1.00 1.60 O ATOM 0 H ASP A 57 -8.930 -1.236 -12.136 1.00 0.89 H new ATOM 0 HA ASP A 57 -7.079 -2.935 -13.667 1.00 1.05 H new ATOM 0 HB2 ASP A 57 -6.237 -1.017 -12.310 1.00 1.23 H new ATOM 0 HB3 ASP A 57 -6.900 -1.773 -10.875 1.00 1.23 H new ATOM 880 N PRO A 58 -8.026 -5.084 -12.713 1.00 1.14 N ATOM 881 CA PRO A 58 -8.715 -6.283 -12.264 1.00 1.23 C ATOM 882 C PRO A 58 -8.065 -6.936 -11.042 1.00 1.31 C ATOM 883 O PRO A 58 -8.760 -7.575 -10.252 1.00 2.08 O ATOM 884 CB PRO A 58 -8.697 -7.166 -13.496 1.00 1.32 C ATOM 885 CG PRO A 58 -7.395 -6.795 -14.208 1.00 1.28 C ATOM 886 CD PRO A 58 -7.396 -5.294 -14.013 1.00 1.16 C ATOM 0 HA PRO A 58 -9.724 -6.079 -11.906 1.00 1.23 H new ATOM 0 HB2 PRO A 58 -8.717 -8.222 -13.229 1.00 1.32 H new ATOM 0 HB3 PRO A 58 -9.564 -6.981 -14.130 1.00 1.32 H new ATOM 0 HG2 PRO A 58 -6.525 -7.272 -13.757 1.00 1.28 H new ATOM 0 HG3 PRO A 58 -7.403 -7.077 -15.261 1.00 1.28 H new ATOM 0 HD2 PRO A 58 -6.383 -4.893 -14.030 1.00 1.16 H new ATOM 0 HD3 PRO A 58 -7.951 -4.793 -14.806 1.00 1.16 H new ATOM 894 N LEU A 59 -6.765 -6.720 -10.840 1.00 0.82 N ATOM 895 CA LEU A 59 -6.097 -7.105 -9.598 1.00 0.77 C ATOM 896 C LEU A 59 -6.579 -6.244 -8.424 1.00 0.70 C ATOM 897 O LEU A 59 -6.955 -6.801 -7.403 1.00 0.75 O ATOM 898 CB LEU A 59 -4.570 -7.076 -9.767 1.00 0.82 C ATOM 899 CG LEU A 59 -3.780 -7.524 -8.523 1.00 1.01 C ATOM 900 CD1 LEU A 59 -4.200 -8.907 -8.026 1.00 1.21 C ATOM 901 CD2 LEU A 59 -2.293 -7.599 -8.856 1.00 1.54 C ATOM 0 H LEU A 59 -6.152 -6.278 -11.525 1.00 0.82 H new ATOM 0 HA LEU A 59 -6.368 -8.134 -9.361 1.00 0.77 H new ATOM 0 HB2 LEU A 59 -4.298 -7.718 -10.605 1.00 0.82 H new ATOM 0 HB3 LEU A 59 -4.266 -6.063 -10.029 1.00 0.82 H new ATOM 0 HG LEU A 59 -3.987 -6.788 -7.746 1.00 1.01 H new ATOM 0 HD11 LEU A 59 -3.611 -9.172 -7.148 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -5.258 -8.893 -7.763 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -4.031 -9.643 -8.812 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -1.738 -7.916 -7.973 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -2.136 -8.317 -9.661 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -1.941 -6.617 -9.172 1.00 1.54 H new ATOM 913 N ALA A 60 -6.677 -4.918 -8.548 1.00 0.65 N ATOM 914 CA ALA A 60 -7.193 -4.107 -7.434 1.00 0.65 C ATOM 915 C ALA A 60 -8.652 -4.448 -7.065 1.00 0.73 C ATOM 916 O ALA A 60 -8.995 -4.537 -5.886 1.00 0.80 O ATOM 917 CB ALA A 60 -7.057 -2.629 -7.757 1.00 0.66 C ATOM 0 H ALA A 60 -6.415 -4.392 -9.382 1.00 0.65 H new ATOM 0 HA ALA A 60 -6.588 -4.347 -6.560 1.00 0.65 H new ATOM 0 HB1 ALA A 60 -7.442 -2.038 -6.926 1.00 0.66 H new ATOM 0 HB2 ALA A 60 -6.007 -2.387 -7.919 1.00 0.66 H new ATOM 0 HB3 ALA A 60 -7.625 -2.400 -8.659 1.00 0.66 H new ATOM 923 N MET A 61 -9.481 -4.725 -8.078 1.00 0.79 N ATOM 924 CA MET A 61 -10.840 -5.265 -7.954 1.00 0.92 C ATOM 925 C MET A 61 -10.900 -6.621 -7.222 1.00 1.01 C ATOM 926 O MET A 61 -11.961 -7.004 -6.732 1.00 1.07 O ATOM 927 CB MET A 61 -11.415 -5.405 -9.366 1.00 1.05 C ATOM 928 CG MET A 61 -11.710 -4.058 -10.042 1.00 1.22 C ATOM 929 SD MET A 61 -13.191 -3.196 -9.456 1.00 2.18 S ATOM 930 CE MET A 61 -14.421 -4.440 -9.909 1.00 2.45 C ATOM 0 H MET A 61 -9.211 -4.572 -9.050 1.00 0.79 H new ATOM 0 HA MET A 61 -11.425 -4.576 -7.345 1.00 0.92 H new ATOM 0 HB2 MET A 61 -10.712 -5.966 -9.982 1.00 1.05 H new ATOM 0 HB3 MET A 61 -12.334 -5.989 -9.319 1.00 1.05 H new ATOM 0 HG2 MET A 61 -10.850 -3.404 -9.899 1.00 1.22 H new ATOM 0 HG3 MET A 61 -11.809 -4.224 -11.115 1.00 1.22 H new ATOM 0 HE1 MET A 61 -15.385 -3.957 -10.067 1.00 2.45 H new ATOM 0 HE2 MET A 61 -14.111 -4.941 -10.826 1.00 2.45 H new ATOM 0 HE3 MET A 61 -14.510 -5.173 -9.107 1.00 2.45 H new ATOM 940 N LEU A 62 -9.784 -7.348 -7.130 1.00 1.13 N ATOM 941 CA LEU A 62 -9.617 -8.516 -6.268 1.00 1.32 C ATOM 942 C LEU A 62 -9.392 -8.101 -4.806 1.00 1.28 C ATOM 943 O LEU A 62 -10.154 -8.523 -3.936 1.00 1.34 O ATOM 944 CB LEU A 62 -8.428 -9.343 -6.791 1.00 1.56 C ATOM 945 CG LEU A 62 -8.495 -10.859 -6.550 1.00 2.19 C ATOM 946 CD1 LEU A 62 -7.224 -11.510 -7.100 1.00 3.27 C ATOM 947 CD2 LEU A 62 -8.613 -11.240 -5.074 1.00 3.79 C ATOM 0 H LEU A 62 -8.947 -7.132 -7.671 1.00 1.13 H new ATOM 0 HA LEU A 62 -10.526 -9.117 -6.293 1.00 1.32 H new ATOM 0 HB2 LEU A 62 -8.337 -9.171 -7.863 1.00 1.56 H new ATOM 0 HB3 LEU A 62 -7.517 -8.963 -6.329 1.00 1.56 H new ATOM 0 HG LEU A 62 -9.394 -11.211 -7.056 1.00 2.19 H new ATOM 0 HD11 LEU A 62 -7.265 -12.586 -6.932 1.00 3.27 H new ATOM 0 HD12 LEU A 62 -7.147 -11.312 -8.169 1.00 3.27 H new ATOM 0 HD13 LEU A 62 -6.354 -11.096 -6.591 1.00 3.27 H new ATOM 0 HD21 LEU A 62 -8.655 -12.325 -4.981 1.00 3.79 H new ATOM 0 HD22 LEU A 62 -7.747 -10.863 -4.530 1.00 3.79 H new ATOM 0 HD23 LEU A 62 -9.521 -10.804 -4.657 1.00 3.79 H new ATOM 959 N LEU A 63 -8.364 -7.278 -4.514 1.00 1.28 N ATOM 960 CA LEU A 63 -7.905 -7.123 -3.114 1.00 1.39 C ATOM 961 C LEU A 63 -8.974 -6.411 -2.299 1.00 1.25 C ATOM 962 O LEU A 63 -9.328 -6.820 -1.191 1.00 1.32 O ATOM 963 CB LEU A 63 -6.630 -6.260 -2.969 1.00 1.74 C ATOM 964 CG LEU A 63 -5.285 -6.813 -3.451 1.00 1.19 C ATOM 965 CD1 LEU A 63 -5.254 -6.900 -4.962 1.00 2.54 C ATOM 966 CD2 LEU A 63 -4.177 -5.848 -3.026 1.00 2.16 C ATOM 0 H LEU A 63 -7.849 -6.727 -5.201 1.00 1.28 H new ATOM 0 HA LEU A 63 -7.698 -8.136 -2.767 1.00 1.39 H new ATOM 0 HB2 LEU A 63 -6.807 -5.324 -3.499 1.00 1.74 H new ATOM 0 HB3 LEU A 63 -6.522 -6.012 -1.913 1.00 1.74 H new ATOM 0 HG LEU A 63 -5.144 -7.804 -3.021 1.00 1.19 H new ATOM 0 HD11 LEU A 63 -4.290 -7.295 -5.284 1.00 2.54 H new ATOM 0 HD12 LEU A 63 -6.050 -7.561 -5.305 1.00 2.54 H new ATOM 0 HD13 LEU A 63 -5.399 -5.907 -5.387 1.00 2.54 H new ATOM 0 HD21 LEU A 63 -3.213 -6.230 -3.363 1.00 2.16 H new ATOM 0 HD22 LEU A 63 -4.356 -4.870 -3.472 1.00 2.16 H new ATOM 0 HD23 LEU A 63 -4.171 -5.756 -1.940 1.00 2.16 H new ATOM 978 N PHE A 64 -9.479 -5.329 -2.888 1.00 1.12 N ATOM 979 CA PHE A 64 -10.370 -4.418 -2.161 1.00 1.05 C ATOM 980 C PHE A 64 -11.694 -5.114 -1.784 1.00 1.06 C ATOM 981 O PHE A 64 -12.197 -4.918 -0.675 1.00 1.18 O ATOM 982 CB PHE A 64 -10.544 -3.086 -2.913 1.00 0.92 C ATOM 983 CG PHE A 64 -11.927 -2.857 -3.485 1.00 0.85 C ATOM 984 CD1 PHE A 64 -12.241 -3.304 -4.777 1.00 1.55 C ATOM 985 CD2 PHE A 64 -12.922 -2.265 -2.687 1.00 2.40 C ATOM 986 CE1 PHE A 64 -13.548 -3.162 -5.272 1.00 1.62 C ATOM 987 CE2 PHE A 64 -14.227 -2.114 -3.183 1.00 2.36 C ATOM 988 CZ PHE A 64 -14.545 -2.575 -4.472 1.00 0.87 C ATOM 0 H PHE A 64 -9.292 -5.061 -3.854 1.00 1.12 H new ATOM 0 HA PHE A 64 -9.903 -4.153 -1.212 1.00 1.05 H new ATOM 0 HB2 PHE A 64 -10.307 -2.267 -2.233 1.00 0.92 H new ATOM 0 HB3 PHE A 64 -9.819 -3.046 -3.726 1.00 0.92 H new ATOM 0 HD1 PHE A 64 -11.477 -3.758 -5.392 1.00 1.55 H new ATOM 0 HD2 PHE A 64 -12.682 -1.926 -1.690 1.00 2.40 H new ATOM 0 HE1 PHE A 64 -13.788 -3.504 -6.268 1.00 1.62 H new ATOM 0 HE2 PHE A 64 -14.986 -1.644 -2.575 1.00 2.36 H new ATOM 0 HZ PHE A 64 -15.553 -2.479 -4.848 1.00 0.87 H new ATOM 998 N GLU A 65 -12.203 -5.997 -2.652 1.00 1.02 N ATOM 999 CA GLU A 65 -13.342 -6.879 -2.373 1.00 1.05 C ATOM 1000 C GLU A 65 -12.979 -7.953 -1.331 1.00 1.19 C ATOM 1001 O GLU A 65 -13.658 -8.078 -0.309 1.00 1.60 O ATOM 1002 CB GLU A 65 -13.824 -7.567 -3.670 1.00 1.11 C ATOM 1003 CG GLU A 65 -14.495 -6.650 -4.710 1.00 1.87 C ATOM 1004 CD GLU A 65 -15.940 -6.239 -4.393 1.00 2.97 C ATOM 1005 OE1 GLU A 65 -16.550 -6.730 -3.412 1.00 3.91 O ATOM 1006 OE2 GLU A 65 -16.531 -5.430 -5.145 1.00 3.75 O ATOM 0 H GLU A 65 -11.824 -6.121 -3.591 1.00 1.02 H new ATOM 0 HA GLU A 65 -14.143 -6.259 -1.969 1.00 1.05 H new ATOM 0 HB2 GLU A 65 -12.969 -8.052 -4.140 1.00 1.11 H new ATOM 0 HB3 GLU A 65 -14.528 -8.354 -3.400 1.00 1.11 H new ATOM 0 HG2 GLU A 65 -13.893 -5.747 -4.815 1.00 1.87 H new ATOM 0 HG3 GLU A 65 -14.483 -7.155 -5.676 1.00 1.87 H new ATOM 1013 N GLN A 66 -11.919 -8.735 -1.573 1.00 0.94 N ATOM 1014 CA GLN A 66 -11.701 -10.032 -0.916 1.00 0.93 C ATOM 1015 C GLN A 66 -10.814 -10.020 0.337 1.00 1.16 C ATOM 1016 O GLN A 66 -10.679 -11.064 0.988 1.00 1.58 O ATOM 1017 CB GLN A 66 -11.217 -11.062 -1.954 1.00 1.36 C ATOM 1018 CG GLN A 66 -12.313 -11.412 -2.979 1.00 2.47 C ATOM 1019 CD GLN A 66 -13.571 -12.009 -2.340 1.00 3.60 C ATOM 1020 OE1 GLN A 66 -13.550 -12.616 -1.275 1.00 3.96 O ATOM 1021 NE2 GLN A 66 -14.731 -11.841 -2.924 1.00 4.96 N ATOM 0 H GLN A 66 -11.184 -8.485 -2.234 1.00 0.94 H new ATOM 0 HA GLN A 66 -12.673 -10.321 -0.518 1.00 0.93 H new ATOM 0 HB2 GLN A 66 -10.346 -10.667 -2.476 1.00 1.36 H new ATOM 0 HB3 GLN A 66 -10.897 -11.969 -1.442 1.00 1.36 H new ATOM 0 HG2 GLN A 66 -12.586 -10.512 -3.530 1.00 2.47 H new ATOM 0 HG3 GLN A 66 -11.911 -12.120 -3.703 1.00 2.47 H new ATOM 0 HE21 GLN A 66 -14.788 -11.341 -3.811 1.00 4.96 H new ATOM 0 HE22 GLN A 66 -15.578 -12.210 -2.492 1.00 4.96 H new ATOM 1030 N TYR A 67 -10.259 -8.866 0.722 1.00 1.29 N ATOM 1031 CA TYR A 67 -9.613 -8.678 2.028 1.00 1.86 C ATOM 1032 C TYR A 67 -10.515 -7.984 3.058 1.00 2.32 C ATOM 1033 O TYR A 67 -10.370 -8.257 4.254 1.00 3.60 O ATOM 1034 CB TYR A 67 -8.277 -7.936 1.847 1.00 1.88 C ATOM 1035 CG TYR A 67 -7.218 -8.618 0.986 1.00 1.84 C ATOM 1036 CD1 TYR A 67 -7.226 -10.013 0.759 1.00 2.56 C ATOM 1037 CD2 TYR A 67 -6.179 -7.839 0.437 1.00 2.70 C ATOM 1038 CE1 TYR A 67 -6.226 -10.615 -0.024 1.00 2.76 C ATOM 1039 CE2 TYR A 67 -5.158 -8.442 -0.322 1.00 3.12 C ATOM 1040 CZ TYR A 67 -5.186 -9.831 -0.563 1.00 2.64 C ATOM 1041 OH TYR A 67 -4.212 -10.426 -1.298 1.00 3.23 O ATOM 0 H TYR A 67 -10.244 -8.032 0.135 1.00 1.29 H new ATOM 0 HA TYR A 67 -9.418 -9.668 2.440 1.00 1.86 H new ATOM 0 HB2 TYR A 67 -8.488 -6.958 1.413 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -7.850 -7.761 2.834 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -8.007 -10.621 1.191 1.00 2.56 H new ATOM 0 HD2 TYR A 67 -6.166 -6.771 0.600 1.00 2.70 H new ATOM 0 HE1 TYR A 67 -6.254 -11.678 -0.213 1.00 2.76 H new ATOM 0 HE2 TYR A 67 -4.354 -7.841 -0.720 1.00 3.12 H new ATOM 0 HH TYR A 67 -4.097 -9.941 -2.142 1.00 3.23 H new ATOM 1051 N ASN A 68 -11.435 -7.102 2.640 1.00 2.13 N ATOM 1052 CA ASN A 68 -12.275 -6.329 3.575 1.00 2.77 C ATOM 1053 C ASN A 68 -13.593 -5.753 3.002 1.00 2.08 C ATOM 1054 O ASN A 68 -14.506 -5.454 3.776 1.00 2.21 O ATOM 1055 CB ASN A 68 -11.399 -5.182 4.113 1.00 3.82 C ATOM 1056 CG ASN A 68 -11.988 -4.527 5.349 1.00 4.85 C ATOM 1057 OD1 ASN A 68 -12.631 -3.494 5.292 1.00 5.93 O ATOM 1058 ND2 ASN A 68 -11.761 -5.093 6.509 1.00 5.01 N ATOM 0 H ASN A 68 -11.619 -6.904 1.656 1.00 2.13 H new ATOM 0 HA ASN A 68 -12.612 -7.025 4.343 1.00 2.77 H new ATOM 0 HB2 ASN A 68 -10.407 -5.567 4.349 1.00 3.82 H new ATOM 0 HB3 ASN A 68 -11.272 -4.431 3.334 1.00 3.82 H new ATOM 0 HD21 ASN A 68 -12.123 -4.669 7.363 1.00 5.01 H new ATOM 0 HD22 ASN A 68 -11.223 -5.958 6.558 1.00 5.01 H new ATOM 1065 N ARG A 69 -13.718 -5.578 1.678 1.00 1.67 N ATOM 1066 CA ARG A 69 -14.813 -4.836 1.018 1.00 1.68 C ATOM 1067 C ARG A 69 -14.884 -3.358 1.438 1.00 1.50 C ATOM 1068 O ARG A 69 -15.946 -2.836 1.792 1.00 2.45 O ATOM 1069 CB ARG A 69 -16.142 -5.626 1.109 1.00 2.53 C ATOM 1070 CG ARG A 69 -16.947 -5.613 -0.200 1.00 2.17 C ATOM 1071 CD ARG A 69 -17.358 -4.216 -0.680 1.00 2.45 C ATOM 1072 NE ARG A 69 -18.027 -4.276 -1.985 1.00 2.39 N ATOM 1073 CZ ARG A 69 -18.607 -3.237 -2.612 1.00 3.34 C ATOM 1074 NH1 ARG A 69 -18.679 -2.021 -2.048 1.00 4.55 N ATOM 1075 NH2 ARG A 69 -19.123 -3.424 -3.835 1.00 4.08 N ATOM 0 H ARG A 69 -13.043 -5.958 1.014 1.00 1.67 H new ATOM 0 HA ARG A 69 -14.589 -4.766 -0.047 1.00 1.68 H new ATOM 0 HB2 ARG A 69 -15.925 -6.658 1.384 1.00 2.53 H new ATOM 0 HB3 ARG A 69 -16.753 -5.205 1.908 1.00 2.53 H new ATOM 0 HG2 ARG A 69 -16.355 -6.092 -0.980 1.00 2.17 H new ATOM 0 HG3 ARG A 69 -17.845 -6.216 -0.065 1.00 2.17 H new ATOM 0 HD2 ARG A 69 -18.024 -3.759 0.052 1.00 2.45 H new ATOM 0 HD3 ARG A 69 -16.476 -3.579 -0.750 1.00 2.45 H new ATOM 0 HE ARG A 69 -18.054 -5.181 -2.455 1.00 2.39 H new ATOM 0 HH11 ARG A 69 -18.287 -1.866 -1.119 1.00 4.55 H new ATOM 0 HH12 ARG A 69 -19.125 -1.252 -2.548 1.00 4.55 H new ATOM 0 HH21 ARG A 69 -19.072 -4.343 -4.275 1.00 4.08 H new ATOM 0 HH22 ARG A 69 -19.567 -2.648 -4.326 1.00 4.08 H new ATOM 1089 N LEU A 70 -13.731 -2.687 1.402 1.00 0.80 N ATOM 1090 CA LEU A 70 -13.573 -1.257 1.689 1.00 0.74 C ATOM 1091 C LEU A 70 -12.453 -0.669 0.816 1.00 1.07 C ATOM 1092 O LEU A 70 -11.287 -1.023 0.983 1.00 2.81 O ATOM 1093 CB LEU A 70 -13.314 -1.087 3.202 1.00 1.05 C ATOM 1094 CG LEU A 70 -13.205 0.340 3.786 1.00 1.42 C ATOM 1095 CD1 LEU A 70 -11.796 0.930 3.680 1.00 2.71 C ATOM 1096 CD2 LEU A 70 -14.209 1.324 3.182 1.00 3.20 C ATOM 0 H LEU A 70 -12.849 -3.140 1.164 1.00 0.80 H new ATOM 0 HA LEU A 70 -14.479 -0.703 1.441 1.00 0.74 H new ATOM 0 HB2 LEU A 70 -14.116 -1.600 3.733 1.00 1.05 H new ATOM 0 HB3 LEU A 70 -12.388 -1.611 3.439 1.00 1.05 H new ATOM 0 HG LEU A 70 -13.447 0.208 4.841 1.00 1.42 H new ATOM 0 HD11 LEU A 70 -11.788 1.933 4.108 1.00 2.71 H new ATOM 0 HD12 LEU A 70 -11.095 0.298 4.225 1.00 2.71 H new ATOM 0 HD13 LEU A 70 -11.501 0.980 2.632 1.00 2.71 H new ATOM 0 HD21 LEU A 70 -14.076 2.305 3.638 1.00 3.20 H new ATOM 0 HD22 LEU A 70 -14.044 1.398 2.107 1.00 3.20 H new ATOM 0 HD23 LEU A 70 -15.223 0.971 3.370 1.00 3.20 H new ATOM 1108 N ALA A 71 -12.810 0.217 -0.116 1.00 0.88 N ATOM 1109 CA ALA A 71 -11.863 0.948 -0.959 1.00 0.75 C ATOM 1110 C ALA A 71 -11.163 2.067 -0.161 1.00 0.99 C ATOM 1111 O ALA A 71 -11.816 2.790 0.596 1.00 1.82 O ATOM 1112 CB ALA A 71 -12.609 1.504 -2.178 1.00 0.91 C ATOM 0 H ALA A 71 -13.784 0.451 -0.309 1.00 0.88 H new ATOM 0 HA ALA A 71 -11.081 0.271 -1.302 1.00 0.75 H new ATOM 0 HB1 ALA A 71 -11.912 2.051 -2.813 1.00 0.91 H new ATOM 0 HB2 ALA A 71 -13.046 0.681 -2.744 1.00 0.91 H new ATOM 0 HB3 ALA A 71 -13.400 2.176 -1.845 1.00 0.91 H new ATOM 1118 N MET A 72 -9.847 2.236 -0.335 1.00 0.64 N ATOM 1119 CA MET A 72 -9.056 3.260 0.364 1.00 0.74 C ATOM 1120 C MET A 72 -8.784 4.513 -0.506 1.00 0.68 C ATOM 1121 O MET A 72 -8.641 4.385 -1.727 1.00 0.61 O ATOM 1122 CB MET A 72 -7.785 2.638 0.972 1.00 0.97 C ATOM 1123 CG MET A 72 -6.764 2.116 -0.045 1.00 1.02 C ATOM 1124 SD MET A 72 -5.304 1.363 0.738 1.00 0.80 S ATOM 1125 CE MET A 72 -4.352 0.989 -0.757 1.00 1.42 C ATOM 0 H MET A 72 -9.294 1.661 -0.971 1.00 0.64 H new ATOM 0 HA MET A 72 -9.654 3.637 1.194 1.00 0.74 H new ATOM 0 HB2 MET A 72 -7.299 3.384 1.600 1.00 0.97 H new ATOM 0 HB3 MET A 72 -8.078 1.815 1.624 1.00 0.97 H new ATOM 0 HG2 MET A 72 -7.245 1.380 -0.689 1.00 1.02 H new ATOM 0 HG3 MET A 72 -6.443 2.938 -0.685 1.00 1.02 H new ATOM 0 HE1 MET A 72 -3.775 0.078 -0.602 1.00 1.42 H new ATOM 0 HE2 MET A 72 -5.033 0.849 -1.596 1.00 1.42 H new ATOM 0 HE3 MET A 72 -3.675 1.815 -0.973 1.00 1.42 H new ATOM 1135 N PRO A 73 -8.715 5.721 0.089 1.00 0.82 N ATOM 1136 CA PRO A 73 -8.515 6.975 -0.639 1.00 0.89 C ATOM 1137 C PRO A 73 -7.035 7.305 -0.899 1.00 0.91 C ATOM 1138 O PRO A 73 -6.135 6.813 -0.214 1.00 0.96 O ATOM 1139 CB PRO A 73 -9.173 8.041 0.244 1.00 1.03 C ATOM 1140 CG PRO A 73 -8.891 7.530 1.654 1.00 1.09 C ATOM 1141 CD PRO A 73 -9.004 6.013 1.493 1.00 0.97 C ATOM 0 HA PRO A 73 -8.952 6.916 -1.636 1.00 0.89 H new ATOM 0 HB2 PRO A 73 -8.741 9.028 0.077 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -10.242 8.124 0.050 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -7.902 7.827 2.002 1.00 1.09 H new ATOM 0 HG3 PRO A 73 -9.612 7.915 2.376 1.00 1.09 H new ATOM 0 HD2 PRO A 73 -8.300 5.500 2.149 1.00 0.97 H new ATOM 0 HD3 PRO A 73 -10.002 5.668 1.764 1.00 0.97 H new ATOM 1149 N ASN A 74 -6.774 8.212 -1.844 1.00 0.97 N ATOM 1150 CA ASN A 74 -5.480 8.883 -1.981 1.00 1.06 C ATOM 1151 C ASN A 74 -5.373 10.055 -0.988 1.00 1.28 C ATOM 1152 O ASN A 74 -5.971 11.116 -1.173 1.00 2.25 O ATOM 1153 CB ASN A 74 -5.283 9.325 -3.439 1.00 1.09 C ATOM 1154 CG ASN A 74 -3.919 9.946 -3.708 1.00 1.21 C ATOM 1155 OD1 ASN A 74 -3.103 10.170 -2.827 1.00 1.45 O ATOM 1156 ND2 ASN A 74 -3.636 10.227 -4.956 1.00 1.78 N ATOM 0 H ASN A 74 -7.460 8.503 -2.540 1.00 0.97 H new ATOM 0 HA ASN A 74 -4.675 8.190 -1.734 1.00 1.06 H new ATOM 0 HB2 ASN A 74 -5.416 8.463 -4.092 1.00 1.09 H new ATOM 0 HB3 ASN A 74 -6.059 10.045 -3.700 1.00 1.09 H new ATOM 0 HD21 ASN A 74 -2.732 10.634 -5.195 1.00 1.78 H new ATOM 0 HD22 ASN A 74 -4.320 10.039 -5.689 1.00 1.78 H new ATOM 1163 N MET A 75 -4.565 9.883 0.059 1.00 1.00 N ATOM 1164 CA MET A 75 -4.325 10.877 1.119 1.00 1.16 C ATOM 1165 C MET A 75 -3.331 11.981 0.683 1.00 1.15 C ATOM 1166 O MET A 75 -2.409 12.317 1.430 1.00 1.87 O ATOM 1167 CB MET A 75 -3.876 10.156 2.407 1.00 1.40 C ATOM 1168 CG MET A 75 -4.866 9.088 2.895 1.00 1.54 C ATOM 1169 SD MET A 75 -4.281 8.133 4.322 1.00 2.24 S ATOM 1170 CE MET A 75 -4.384 9.392 5.628 1.00 3.20 C ATOM 0 H MET A 75 -4.040 9.021 0.202 1.00 1.00 H new ATOM 0 HA MET A 75 -5.261 11.398 1.321 1.00 1.16 H new ATOM 0 HB2 MET A 75 -2.908 9.688 2.232 1.00 1.40 H new ATOM 0 HB3 MET A 75 -3.735 10.895 3.196 1.00 1.40 H new ATOM 0 HG2 MET A 75 -5.807 9.572 3.157 1.00 1.54 H new ATOM 0 HG3 MET A 75 -5.078 8.402 2.075 1.00 1.54 H new ATOM 0 HE1 MET A 75 -4.142 8.939 6.590 1.00 3.20 H new ATOM 0 HE2 MET A 75 -3.677 10.194 5.417 1.00 3.20 H new ATOM 0 HE3 MET A 75 -5.395 9.799 5.662 1.00 3.20 H new ATOM 1180 N ARG A 76 -3.462 12.495 -0.549 1.00 1.54 N ATOM 1181 CA ARG A 76 -2.493 13.389 -1.221 1.00 1.53 C ATOM 1182 C ARG A 76 -1.054 12.862 -1.119 1.00 1.21 C ATOM 1183 O ARG A 76 -0.169 13.476 -0.515 1.00 1.22 O ATOM 1184 CB ARG A 76 -2.662 14.847 -0.743 1.00 2.08 C ATOM 1185 CG ARG A 76 -4.052 15.474 -0.984 1.00 2.97 C ATOM 1186 CD ARG A 76 -4.336 15.887 -2.439 1.00 4.04 C ATOM 1187 NE ARG A 76 -4.512 14.748 -3.353 1.00 5.04 N ATOM 1188 CZ ARG A 76 -5.631 14.015 -3.508 1.00 6.16 C ATOM 1189 NH1 ARG A 76 -6.748 14.271 -2.812 1.00 6.30 N ATOM 1190 NH2 ARG A 76 -5.624 13.000 -4.382 1.00 7.83 N ATOM 0 H ARG A 76 -4.275 12.295 -1.131 1.00 1.54 H new ATOM 0 HA ARG A 76 -2.715 13.393 -2.288 1.00 1.53 H new ATOM 0 HB2 ARG A 76 -2.446 14.887 0.325 1.00 2.08 H new ATOM 0 HB3 ARG A 76 -1.914 15.463 -1.243 1.00 2.08 H new ATOM 0 HG2 ARG A 76 -4.815 14.762 -0.669 1.00 2.97 H new ATOM 0 HG3 ARG A 76 -4.153 16.352 -0.347 1.00 2.97 H new ATOM 0 HD2 ARG A 76 -5.235 16.504 -2.464 1.00 4.04 H new ATOM 0 HD3 ARG A 76 -3.514 16.507 -2.799 1.00 4.04 H new ATOM 0 HE ARG A 76 -3.708 14.488 -3.925 1.00 5.04 H new ATOM 0 HH11 ARG A 76 -6.766 15.040 -2.142 1.00 6.30 H new ATOM 0 HH12 ARG A 76 -7.579 13.697 -2.953 1.00 6.30 H new ATOM 0 HH21 ARG A 76 -4.780 12.793 -4.917 1.00 7.83 H new ATOM 0 HH22 ARG A 76 -6.462 12.434 -4.513 1.00 7.83 H new ATOM 1204 N LEU A 77 -0.851 11.649 -1.627 1.00 1.43 N ATOM 1205 CA LEU A 77 0.397 10.891 -1.504 1.00 1.53 C ATOM 1206 C LEU A 77 1.442 11.373 -2.523 1.00 1.47 C ATOM 1207 O LEU A 77 1.245 11.246 -3.740 1.00 1.60 O ATOM 1208 CB LEU A 77 0.081 9.390 -1.648 1.00 2.02 C ATOM 1209 CG LEU A 77 -0.858 8.825 -0.563 1.00 2.14 C ATOM 1210 CD1 LEU A 77 -1.241 7.387 -0.898 1.00 3.26 C ATOM 1211 CD2 LEU A 77 -0.217 8.834 0.827 1.00 1.86 C ATOM 0 H LEU A 77 -1.569 11.150 -2.151 1.00 1.43 H new ATOM 0 HA LEU A 77 0.838 11.059 -0.521 1.00 1.53 H new ATOM 0 HB2 LEU A 77 -0.370 9.219 -2.625 1.00 2.02 H new ATOM 0 HB3 LEU A 77 1.017 8.831 -1.627 1.00 2.02 H new ATOM 0 HG LEU A 77 -1.736 9.470 -0.546 1.00 2.14 H new ATOM 0 HD11 LEU A 77 -1.904 6.998 -0.125 1.00 3.26 H new ATOM 0 HD12 LEU A 77 -1.751 7.361 -1.861 1.00 3.26 H new ATOM 0 HD13 LEU A 77 -0.342 6.773 -0.947 1.00 3.26 H new ATOM 0 HD21 LEU A 77 -0.919 8.426 1.554 1.00 1.86 H new ATOM 0 HD22 LEU A 77 0.687 8.225 0.815 1.00 1.86 H new ATOM 0 HD23 LEU A 77 0.038 9.857 1.103 1.00 1.86 H new ATOM 1223 N GLY A 78 2.552 11.920 -2.018 1.00 1.44 N ATOM 1224 CA GLY A 78 3.685 12.389 -2.824 1.00 1.48 C ATOM 1225 C GLY A 78 4.598 11.241 -3.256 1.00 1.31 C ATOM 1226 O GLY A 78 4.793 10.283 -2.507 1.00 1.14 O ATOM 0 H GLY A 78 2.692 12.052 -1.016 1.00 1.44 H new ATOM 0 HA2 GLY A 78 3.311 12.906 -3.708 1.00 1.48 H new ATOM 0 HA3 GLY A 78 4.262 13.114 -2.250 1.00 1.48 H new ATOM 1230 N ASP A 79 5.185 11.318 -4.451 1.00 1.46 N ATOM 1231 CA ASP A 79 6.012 10.237 -5.009 1.00 1.47 C ATOM 1232 C ASP A 79 7.228 9.886 -4.135 1.00 1.35 C ATOM 1233 O ASP A 79 7.500 8.707 -3.903 1.00 1.53 O ATOM 1234 CB ASP A 79 6.475 10.648 -6.410 1.00 1.67 C ATOM 1235 CG ASP A 79 7.177 9.507 -7.143 1.00 2.48 C ATOM 1236 OD1 ASP A 79 6.464 8.741 -7.830 1.00 3.62 O ATOM 1237 OD2 ASP A 79 8.428 9.416 -7.080 1.00 3.17 O ATOM 0 H ASP A 79 5.103 12.130 -5.063 1.00 1.46 H new ATOM 0 HA ASP A 79 5.397 9.338 -5.047 1.00 1.47 H new ATOM 0 HB2 ASP A 79 5.615 10.977 -6.993 1.00 1.67 H new ATOM 0 HB3 ASP A 79 7.152 11.499 -6.332 1.00 1.67 H new ATOM 1242 N ALA A 80 7.925 10.900 -3.616 1.00 1.36 N ATOM 1243 CA ALA A 80 9.096 10.728 -2.757 1.00 1.33 C ATOM 1244 C ALA A 80 8.727 10.288 -1.326 1.00 1.06 C ATOM 1245 O ALA A 80 9.478 9.546 -0.690 1.00 1.11 O ATOM 1246 CB ALA A 80 9.889 12.040 -2.783 1.00 1.66 C ATOM 0 H ALA A 80 7.687 11.877 -3.784 1.00 1.36 H new ATOM 0 HA ALA A 80 9.714 9.915 -3.139 1.00 1.33 H new ATOM 0 HB1 ALA A 80 10.771 11.944 -2.150 1.00 1.66 H new ATOM 0 HB2 ALA A 80 10.198 12.258 -3.805 1.00 1.66 H new ATOM 0 HB3 ALA A 80 9.263 12.851 -2.412 1.00 1.66 H new ATOM 1252 N GLU A 81 7.564 10.701 -0.815 1.00 0.91 N ATOM 1253 CA GLU A 81 6.990 10.232 0.446 1.00 0.82 C ATOM 1254 C GLU A 81 6.609 8.745 0.342 1.00 0.62 C ATOM 1255 O GLU A 81 6.912 7.955 1.239 1.00 0.64 O ATOM 1256 CB GLU A 81 5.802 11.166 0.760 1.00 1.04 C ATOM 1257 CG GLU A 81 4.764 10.567 1.701 1.00 1.56 C ATOM 1258 CD GLU A 81 3.648 11.568 2.013 1.00 1.74 C ATOM 1259 OE1 GLU A 81 2.875 11.943 1.100 1.00 2.50 O ATOM 1260 OE2 GLU A 81 3.494 11.977 3.189 1.00 2.24 O ATOM 0 H GLU A 81 6.979 11.393 -1.283 1.00 0.91 H new ATOM 0 HA GLU A 81 7.700 10.278 1.271 1.00 0.82 H new ATOM 0 HB2 GLU A 81 6.185 12.087 1.200 1.00 1.04 H new ATOM 0 HB3 GLU A 81 5.313 11.439 -0.175 1.00 1.04 H new ATOM 0 HG2 GLU A 81 4.336 9.672 1.250 1.00 1.56 H new ATOM 0 HG3 GLU A 81 5.247 10.258 2.628 1.00 1.56 H new ATOM 1267 N VAL A 82 6.029 8.325 -0.787 1.00 0.58 N ATOM 1268 CA VAL A 82 5.756 6.909 -1.065 1.00 0.62 C ATOM 1269 C VAL A 82 7.054 6.119 -1.248 1.00 0.61 C ATOM 1270 O VAL A 82 7.141 5.008 -0.734 1.00 0.62 O ATOM 1271 CB VAL A 82 4.796 6.743 -2.257 1.00 0.91 C ATOM 1272 CG1 VAL A 82 4.635 5.269 -2.640 1.00 1.11 C ATOM 1273 CG2 VAL A 82 3.399 7.265 -1.894 1.00 1.08 C ATOM 0 H VAL A 82 5.736 8.955 -1.534 1.00 0.58 H new ATOM 0 HA VAL A 82 5.250 6.489 -0.196 1.00 0.62 H new ATOM 0 HB VAL A 82 5.224 7.305 -3.087 1.00 0.91 H new ATOM 0 HG11 VAL A 82 3.951 5.185 -3.485 1.00 1.11 H new ATOM 0 HG12 VAL A 82 5.605 4.857 -2.916 1.00 1.11 H new ATOM 0 HG13 VAL A 82 4.234 4.714 -1.792 1.00 1.11 H new ATOM 0 HG21 VAL A 82 2.731 7.141 -2.747 1.00 1.08 H new ATOM 0 HG22 VAL A 82 3.010 6.704 -1.044 1.00 1.08 H new ATOM 0 HG23 VAL A 82 3.462 8.321 -1.633 1.00 1.08 H new ATOM 1283 N SER A 83 8.098 6.673 -1.872 1.00 0.66 N ATOM 1284 CA SER A 83 9.407 6.000 -1.982 1.00 0.70 C ATOM 1285 C SER A 83 10.060 5.730 -0.616 1.00 0.61 C ATOM 1286 O SER A 83 10.688 4.682 -0.441 1.00 0.59 O ATOM 1287 CB SER A 83 10.358 6.818 -2.861 1.00 0.88 C ATOM 1288 OG SER A 83 9.856 6.862 -4.184 1.00 2.24 O ATOM 0 H SER A 83 8.066 7.592 -2.313 1.00 0.66 H new ATOM 0 HA SER A 83 9.218 5.031 -2.445 1.00 0.70 H new ATOM 0 HB2 SER A 83 10.458 7.828 -2.465 1.00 0.88 H new ATOM 0 HB3 SER A 83 11.353 6.372 -2.852 1.00 0.88 H new ATOM 0 HG SER A 83 9.069 7.445 -4.216 1.00 2.24 H new ATOM 1294 N ALA A 84 9.849 6.597 0.381 1.00 0.64 N ATOM 1295 CA ALA A 84 10.220 6.320 1.774 1.00 0.65 C ATOM 1296 C ALA A 84 9.344 5.209 2.397 1.00 0.58 C ATOM 1297 O ALA A 84 9.843 4.364 3.134 1.00 0.60 O ATOM 1298 CB ALA A 84 10.157 7.629 2.572 1.00 0.75 C ATOM 0 H ALA A 84 9.416 7.511 0.245 1.00 0.64 H new ATOM 0 HA ALA A 84 11.240 5.937 1.805 1.00 0.65 H new ATOM 0 HB1 ALA A 84 10.431 7.436 3.609 1.00 0.75 H new ATOM 0 HB2 ALA A 84 10.851 8.351 2.142 1.00 0.75 H new ATOM 0 HB3 ALA A 84 9.145 8.031 2.533 1.00 0.75 H new ATOM 1304 N LEU A 85 8.059 5.130 2.039 1.00 0.55 N ATOM 1305 CA LEU A 85 7.158 4.031 2.424 1.00 0.55 C ATOM 1306 C LEU A 85 7.576 2.677 1.792 1.00 0.50 C ATOM 1307 O LEU A 85 7.470 1.637 2.441 1.00 0.56 O ATOM 1308 CB LEU A 85 5.710 4.448 2.062 1.00 0.67 C ATOM 1309 CG LEU A 85 4.589 4.058 3.042 1.00 1.04 C ATOM 1310 CD1 LEU A 85 4.479 2.552 3.264 1.00 2.68 C ATOM 1311 CD2 LEU A 85 4.736 4.747 4.402 1.00 1.36 C ATOM 0 H LEU A 85 7.604 5.839 1.463 1.00 0.55 H new ATOM 0 HA LEU A 85 7.221 3.861 3.499 1.00 0.55 H new ATOM 0 HB2 LEU A 85 5.692 5.532 1.945 1.00 0.67 H new ATOM 0 HB3 LEU A 85 5.470 4.019 1.089 1.00 0.67 H new ATOM 0 HG LEU A 85 3.674 4.403 2.560 1.00 1.04 H new ATOM 0 HD11 LEU A 85 3.670 2.346 3.965 1.00 2.68 H new ATOM 0 HD12 LEU A 85 4.271 2.058 2.315 1.00 2.68 H new ATOM 0 HD13 LEU A 85 5.417 2.175 3.671 1.00 2.68 H new ATOM 0 HD21 LEU A 85 3.921 4.438 5.056 1.00 1.36 H new ATOM 0 HD22 LEU A 85 5.688 4.466 4.851 1.00 1.36 H new ATOM 0 HD23 LEU A 85 4.704 5.828 4.268 1.00 1.36 H new ATOM 1323 N ILE A 86 8.138 2.682 0.573 1.00 0.49 N ATOM 1324 CA ILE A 86 8.766 1.502 -0.063 1.00 0.61 C ATOM 1325 C ILE A 86 10.016 1.088 0.730 1.00 0.70 C ATOM 1326 O ILE A 86 10.188 -0.093 1.042 1.00 0.89 O ATOM 1327 CB ILE A 86 9.097 1.750 -1.556 1.00 0.79 C ATOM 1328 CG1 ILE A 86 7.869 2.147 -2.406 1.00 1.04 C ATOM 1329 CG2 ILE A 86 9.744 0.500 -2.183 1.00 1.09 C ATOM 1330 CD1 ILE A 86 6.577 1.375 -2.099 1.00 1.07 C ATOM 0 H ILE A 86 8.172 3.517 -0.012 1.00 0.49 H new ATOM 0 HA ILE A 86 8.048 0.682 -0.041 1.00 0.61 H new ATOM 0 HB ILE A 86 9.790 2.591 -1.564 1.00 0.79 H new ATOM 0 HG12 ILE A 86 7.679 3.211 -2.264 1.00 1.04 H new ATOM 0 HG13 ILE A 86 8.116 2.005 -3.458 1.00 1.04 H new ATOM 0 HG21 ILE A 86 9.969 0.694 -3.232 1.00 1.09 H new ATOM 0 HG22 ILE A 86 10.666 0.262 -1.652 1.00 1.09 H new ATOM 0 HG23 ILE A 86 9.055 -0.342 -2.109 1.00 1.09 H new ATOM 0 HD11 ILE A 86 5.778 1.730 -2.750 1.00 1.07 H new ATOM 0 HD12 ILE A 86 6.739 0.311 -2.271 1.00 1.07 H new ATOM 0 HD13 ILE A 86 6.296 1.536 -1.058 1.00 1.07 H new ATOM 1342 N SER A 87 10.844 2.067 1.119 1.00 0.66 N ATOM 1343 CA SER A 87 12.031 1.877 1.967 1.00 0.84 C ATOM 1344 C SER A 87 11.691 1.373 3.381 1.00 0.89 C ATOM 1345 O SER A 87 12.535 0.731 4.014 1.00 1.27 O ATOM 1346 CB SER A 87 12.830 3.188 2.037 1.00 0.96 C ATOM 1347 OG SER A 87 14.002 3.024 2.809 1.00 2.45 O ATOM 0 H SER A 87 10.704 3.040 0.846 1.00 0.66 H new ATOM 0 HA SER A 87 12.636 1.097 1.505 1.00 0.84 H new ATOM 0 HB2 SER A 87 13.095 3.511 1.030 1.00 0.96 H new ATOM 0 HB3 SER A 87 12.211 3.973 2.471 1.00 0.96 H new ATOM 0 HG SER A 87 14.495 3.870 2.839 1.00 2.45 H new ATOM 1353 N TYR A 88 10.471 1.617 3.875 1.00 0.65 N ATOM 1354 CA TYR A 88 9.940 0.986 5.090 1.00 0.70 C ATOM 1355 C TYR A 88 9.502 -0.468 4.859 1.00 0.65 C ATOM 1356 O TYR A 88 10.043 -1.377 5.489 1.00 0.74 O ATOM 1357 CB TYR A 88 8.805 1.833 5.682 1.00 0.77 C ATOM 1358 CG TYR A 88 8.066 1.176 6.832 1.00 0.85 C ATOM 1359 CD1 TYR A 88 8.790 0.720 7.946 1.00 1.32 C ATOM 1360 CD2 TYR A 88 6.668 0.996 6.783 1.00 2.33 C ATOM 1361 CE1 TYR A 88 8.127 0.067 8.999 1.00 1.22 C ATOM 1362 CE2 TYR A 88 6.004 0.334 7.836 1.00 2.55 C ATOM 1363 CZ TYR A 88 6.735 -0.143 8.941 1.00 1.24 C ATOM 1364 OH TYR A 88 6.106 -0.812 9.944 1.00 1.50 O ATOM 0 H TYR A 88 9.817 2.266 3.437 1.00 0.65 H new ATOM 0 HA TYR A 88 10.752 0.943 5.816 1.00 0.70 H new ATOM 0 HB2 TYR A 88 9.218 2.781 6.026 1.00 0.77 H new ATOM 0 HB3 TYR A 88 8.091 2.064 4.892 1.00 0.77 H new ATOM 0 HD1 TYR A 88 9.858 0.872 7.993 1.00 1.32 H new ATOM 0 HD2 TYR A 88 6.106 1.366 5.938 1.00 2.33 H new ATOM 0 HE1 TYR A 88 8.687 -0.275 9.857 1.00 1.22 H new ATOM 0 HE2 TYR A 88 4.934 0.193 7.795 1.00 2.55 H new ATOM 0 HH TYR A 88 6.762 -1.077 10.622 1.00 1.50 H new ATOM 1374 N LEU A 89 8.553 -0.723 3.952 1.00 0.66 N ATOM 1375 CA LEU A 89 7.987 -2.060 3.749 1.00 0.73 C ATOM 1376 C LEU A 89 9.040 -3.112 3.362 1.00 0.81 C ATOM 1377 O LEU A 89 8.984 -4.236 3.865 1.00 1.10 O ATOM 1378 CB LEU A 89 6.853 -1.968 2.708 1.00 0.72 C ATOM 1379 CG LEU A 89 5.450 -2.163 3.304 1.00 1.00 C ATOM 1380 CD1 LEU A 89 5.086 -1.137 4.378 1.00 1.79 C ATOM 1381 CD2 LEU A 89 4.412 -2.080 2.183 1.00 1.41 C ATOM 0 H LEU A 89 8.157 -0.010 3.340 1.00 0.66 H new ATOM 0 HA LEU A 89 7.582 -2.407 4.700 1.00 0.73 H new ATOM 0 HB2 LEU A 89 6.898 -0.995 2.219 1.00 0.72 H new ATOM 0 HB3 LEU A 89 7.018 -2.720 1.936 1.00 0.72 H new ATOM 0 HG LEU A 89 5.454 -3.141 3.784 1.00 1.00 H new ATOM 0 HD11 LEU A 89 4.082 -1.340 4.750 1.00 1.79 H new ATOM 0 HD12 LEU A 89 5.798 -1.203 5.201 1.00 1.79 H new ATOM 0 HD13 LEU A 89 5.118 -0.135 3.950 1.00 1.79 H new ATOM 0 HD21 LEU A 89 3.414 -2.218 2.600 1.00 1.41 H new ATOM 0 HD22 LEU A 89 4.473 -1.104 1.702 1.00 1.41 H new ATOM 0 HD23 LEU A 89 4.608 -2.860 1.447 1.00 1.41 H new ATOM 1393 N GLU A 90 10.020 -2.756 2.530 1.00 0.67 N ATOM 1394 CA GLU A 90 11.137 -3.630 2.159 1.00 0.73 C ATOM 1395 C GLU A 90 12.072 -4.004 3.331 1.00 0.75 C ATOM 1396 O GLU A 90 12.570 -5.134 3.362 1.00 0.79 O ATOM 1397 CB GLU A 90 11.929 -2.932 1.041 1.00 0.87 C ATOM 1398 CG GLU A 90 12.949 -3.841 0.342 1.00 1.13 C ATOM 1399 CD GLU A 90 12.301 -5.054 -0.333 1.00 2.32 C ATOM 1400 OE1 GLU A 90 11.203 -4.900 -0.918 1.00 3.39 O ATOM 1401 OE2 GLU A 90 12.865 -6.173 -0.255 1.00 3.50 O ATOM 0 H GLU A 90 10.062 -1.838 2.087 1.00 0.67 H new ATOM 0 HA GLU A 90 10.716 -4.579 1.825 1.00 0.73 H new ATOM 0 HB2 GLU A 90 11.229 -2.549 0.298 1.00 0.87 H new ATOM 0 HB3 GLU A 90 12.451 -2.072 1.461 1.00 0.87 H new ATOM 0 HG2 GLU A 90 13.492 -3.262 -0.405 1.00 1.13 H new ATOM 0 HG3 GLU A 90 13.681 -4.186 1.072 1.00 1.13 H new ATOM 1408 N GLU A 91 12.314 -3.108 4.297 1.00 0.85 N ATOM 1409 CA GLU A 91 13.163 -3.409 5.467 1.00 1.01 C ATOM 1410 C GLU A 91 12.385 -4.059 6.618 1.00 1.12 C ATOM 1411 O GLU A 91 12.913 -4.956 7.273 1.00 1.29 O ATOM 1412 CB GLU A 91 13.990 -2.188 5.913 1.00 1.15 C ATOM 1413 CG GLU A 91 13.229 -1.142 6.745 1.00 3.03 C ATOM 1414 CD GLU A 91 14.086 0.070 7.121 1.00 3.62 C ATOM 1415 OE1 GLU A 91 15.316 0.101 6.873 1.00 3.39 O ATOM 1416 OE2 GLU A 91 13.545 1.045 7.696 1.00 5.01 O ATOM 0 H GLU A 91 11.933 -2.162 4.294 1.00 0.85 H new ATOM 0 HA GLU A 91 13.880 -4.162 5.141 1.00 1.01 H new ATOM 0 HB2 GLU A 91 14.841 -2.541 6.495 1.00 1.15 H new ATOM 0 HB3 GLU A 91 14.391 -1.699 5.025 1.00 1.15 H new ATOM 0 HG2 GLU A 91 12.359 -0.803 6.183 1.00 3.03 H new ATOM 0 HG3 GLU A 91 12.857 -1.612 7.655 1.00 3.03 H new ATOM 1423 N GLU A 92 11.117 -3.688 6.831 1.00 1.10 N ATOM 1424 CA GLU A 92 10.247 -4.304 7.842 1.00 1.33 C ATOM 1425 C GLU A 92 9.916 -5.763 7.467 1.00 1.48 C ATOM 1426 O GLU A 92 9.896 -6.649 8.321 1.00 1.67 O ATOM 1427 CB GLU A 92 8.968 -3.465 7.999 1.00 1.41 C ATOM 1428 CG GLU A 92 8.243 -3.718 9.334 1.00 2.18 C ATOM 1429 CD GLU A 92 8.720 -2.799 10.468 1.00 2.62 C ATOM 1430 OE1 GLU A 92 9.935 -2.529 10.610 1.00 3.00 O ATOM 1431 OE2 GLU A 92 7.864 -2.284 11.226 1.00 3.48 O ATOM 0 H GLU A 92 10.661 -2.945 6.302 1.00 1.10 H new ATOM 0 HA GLU A 92 10.771 -4.326 8.798 1.00 1.33 H new ATOM 0 HB2 GLU A 92 9.222 -2.408 7.925 1.00 1.41 H new ATOM 0 HB3 GLU A 92 8.290 -3.689 7.175 1.00 1.41 H new ATOM 0 HG2 GLU A 92 7.172 -3.579 9.190 1.00 2.18 H new ATOM 0 HG3 GLU A 92 8.393 -4.756 9.630 1.00 2.18 H new ATOM 1438 N THR A 93 9.769 -6.047 6.167 1.00 1.44 N ATOM 1439 CA THR A 93 9.618 -7.413 5.629 1.00 1.60 C ATOM 1440 C THR A 93 10.837 -8.301 5.926 1.00 1.67 C ATOM 1441 O THR A 93 10.677 -9.499 6.159 1.00 1.91 O ATOM 1442 CB THR A 93 9.310 -7.347 4.123 1.00 1.57 C ATOM 1443 OG1 THR A 93 8.051 -6.732 3.926 1.00 2.21 O ATOM 1444 CG2 THR A 93 9.265 -8.703 3.433 1.00 1.47 C ATOM 0 H THR A 93 9.751 -5.327 5.445 1.00 1.44 H new ATOM 0 HA THR A 93 8.778 -7.885 6.138 1.00 1.60 H new ATOM 0 HB THR A 93 10.129 -6.778 3.683 1.00 1.57 H new ATOM 0 HG1 THR A 93 8.172 -5.765 3.826 1.00 2.21 H new ATOM 0 HG21 THR A 93 9.042 -8.566 2.375 1.00 1.47 H new ATOM 0 HG22 THR A 93 10.230 -9.198 3.539 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.490 -9.318 3.890 1.00 1.47 H new ATOM 1452 N ALA A 94 12.040 -7.722 5.989 1.00 1.59 N ATOM 1453 CA ALA A 94 13.262 -8.394 6.439 1.00 1.83 C ATOM 1454 C ALA A 94 13.465 -8.382 7.973 1.00 2.03 C ATOM 1455 O ALA A 94 14.336 -9.090 8.484 1.00 2.22 O ATOM 1456 CB ALA A 94 14.447 -7.759 5.700 1.00 1.72 C ATOM 0 H ALA A 94 12.194 -6.750 5.722 1.00 1.59 H new ATOM 0 HA ALA A 94 13.178 -9.453 6.195 1.00 1.83 H new ATOM 0 HB1 ALA A 94 15.373 -8.240 6.016 1.00 1.72 H new ATOM 0 HB2 ALA A 94 14.318 -7.890 4.626 1.00 1.72 H new ATOM 0 HB3 ALA A 94 14.493 -6.695 5.933 1.00 1.72 H new ATOM 1462 N ARG A 95 12.708 -7.564 8.721 1.00 2.08 N ATOM 1463 CA ARG A 95 12.838 -7.379 10.178 1.00 2.34 C ATOM 1464 C ARG A 95 12.102 -8.443 10.992 1.00 2.47 C ATOM 1465 O ARG A 95 12.566 -8.780 12.075 1.00 2.83 O ATOM 1466 CB ARG A 95 12.354 -5.967 10.563 1.00 2.65 C ATOM 1467 CG ARG A 95 12.703 -5.576 12.009 1.00 3.87 C ATOM 1468 CD ARG A 95 12.142 -4.192 12.344 1.00 4.88 C ATOM 1469 NE ARG A 95 12.475 -3.793 13.720 1.00 5.87 N ATOM 1470 CZ ARG A 95 11.897 -2.784 14.395 1.00 7.22 C ATOM 1471 NH1 ARG A 95 10.931 -2.033 13.841 1.00 7.82 N ATOM 1472 NH2 ARG A 95 12.294 -2.523 15.649 1.00 8.35 N ATOM 0 H ARG A 95 11.965 -6.994 8.317 1.00 2.08 H new ATOM 0 HA ARG A 95 13.894 -7.492 10.424 1.00 2.34 H new ATOM 0 HB2 ARG A 95 12.796 -5.241 9.881 1.00 2.65 H new ATOM 0 HB3 ARG A 95 11.274 -5.912 10.430 1.00 2.65 H new ATOM 0 HG2 ARG A 95 12.297 -6.316 12.699 1.00 3.87 H new ATOM 0 HG3 ARG A 95 13.785 -5.577 12.141 1.00 3.87 H new ATOM 0 HD2 ARG A 95 12.541 -3.458 11.645 1.00 4.88 H new ATOM 0 HD3 ARG A 95 11.059 -4.197 12.218 1.00 4.88 H new ATOM 0 HE ARG A 95 13.202 -4.324 14.200 1.00 5.87 H new ATOM 0 HH11 ARG A 95 10.621 -2.223 12.888 1.00 7.82 H new ATOM 0 HH12 ARG A 95 10.508 -1.273 14.373 1.00 7.82 H new ATOM 0 HH21 ARG A 95 13.026 -3.087 16.080 1.00 8.35 H new ATOM 0 HH22 ARG A 95 11.864 -1.760 16.172 1.00 8.35 H new ATOM 1486 N LEU A 96 10.977 -8.969 10.497 1.00 2.42 N ATOM 1487 CA LEU A 96 9.979 -9.725 11.282 1.00 2.82 C ATOM 1488 C LEU A 96 10.462 -11.041 11.932 1.00 2.92 C ATOM 1489 O LEU A 96 9.787 -11.560 12.822 1.00 3.53 O ATOM 1490 CB LEU A 96 8.710 -9.942 10.423 1.00 3.52 C ATOM 1491 CG LEU A 96 7.403 -9.315 10.899 1.00 4.44 C ATOM 1492 CD1 LEU A 96 6.978 -9.919 12.218 1.00 4.56 C ATOM 1493 CD2 LEU A 96 7.548 -7.811 11.019 1.00 4.91 C ATOM 0 H LEU A 96 10.723 -8.882 9.513 1.00 2.42 H new ATOM 0 HA LEU A 96 9.760 -9.100 12.148 1.00 2.82 H new ATOM 0 HB2 LEU A 96 8.916 -9.563 9.422 1.00 3.52 H new ATOM 0 HB3 LEU A 96 8.550 -11.016 10.330 1.00 3.52 H new ATOM 0 HG LEU A 96 6.629 -9.525 10.161 1.00 4.44 H new ATOM 0 HD11 LEU A 96 6.044 -9.461 12.544 1.00 4.56 H new ATOM 0 HD12 LEU A 96 6.833 -10.992 12.097 1.00 4.56 H new ATOM 0 HD13 LEU A 96 7.750 -9.740 12.966 1.00 4.56 H new ATOM 0 HD21 LEU A 96 6.606 -7.381 11.360 1.00 4.91 H new ATOM 0 HD22 LEU A 96 8.334 -7.577 11.737 1.00 4.91 H new ATOM 0 HD23 LEU A 96 7.808 -7.392 10.047 1.00 4.91 H new ATOM 1505 N GLN A 97 11.655 -11.534 11.583 1.00 3.02 N ATOM 1506 CA GLN A 97 12.414 -12.515 12.379 1.00 3.86 C ATOM 1507 C GLN A 97 12.737 -12.035 13.819 1.00 4.64 C ATOM 1508 O GLN A 97 13.078 -12.838 14.687 1.00 5.72 O ATOM 1509 CB GLN A 97 13.673 -12.931 11.593 1.00 4.21 C ATOM 1510 CG GLN A 97 14.690 -11.801 11.344 1.00 4.07 C ATOM 1511 CD GLN A 97 15.656 -12.156 10.214 1.00 4.75 C ATOM 1512 OE1 GLN A 97 16.603 -12.915 10.367 1.00 5.53 O ATOM 1513 NE2 GLN A 97 15.427 -11.664 9.019 1.00 5.30 N ATOM 0 H GLN A 97 12.132 -11.260 10.724 1.00 3.02 H new ATOM 0 HA GLN A 97 11.781 -13.390 12.530 1.00 3.86 H new ATOM 0 HB2 GLN A 97 14.172 -13.735 12.135 1.00 4.21 H new ATOM 0 HB3 GLN A 97 13.364 -13.339 10.631 1.00 4.21 H new ATOM 0 HG2 GLN A 97 14.160 -10.881 11.096 1.00 4.07 H new ATOM 0 HG3 GLN A 97 15.252 -11.608 12.258 1.00 4.07 H new ATOM 0 HE21 GLN A 97 14.642 -11.029 8.871 1.00 5.30 H new ATOM 0 HE22 GLN A 97 16.034 -11.916 8.239 1.00 5.30 H new ATOM 1522 N THR A 98 12.579 -10.739 14.098 1.00 4.59 N ATOM 1523 CA THR A 98 12.391 -10.121 15.422 1.00 5.68 C ATOM 1524 C THR A 98 11.125 -9.240 15.377 1.00 6.14 C ATOM 1525 O THR A 98 11.169 -8.102 14.904 1.00 6.45 O ATOM 1526 CB THR A 98 13.666 -9.386 15.882 1.00 6.34 C ATOM 1527 OG1 THR A 98 13.413 -8.755 17.114 1.00 7.00 O ATOM 1528 CG2 THR A 98 14.279 -8.367 14.922 1.00 6.61 C ATOM 0 H THR A 98 12.578 -10.040 13.355 1.00 4.59 H new ATOM 0 HA THR A 98 12.229 -10.882 16.185 1.00 5.68 H new ATOM 0 HB THR A 98 14.415 -10.176 15.945 1.00 6.34 H new ATOM 0 HG1 THR A 98 14.220 -8.287 17.414 1.00 7.00 H new ATOM 0 HG21 THR A 98 15.168 -7.929 15.375 1.00 6.61 H new ATOM 0 HG22 THR A 98 14.553 -8.863 13.991 1.00 6.61 H new ATOM 0 HG23 THR A 98 13.553 -7.581 14.714 1.00 6.61 H new ATOM 1536 N PRO A 99 9.958 -9.721 15.861 1.00 6.72 N ATOM 1537 CA PRO A 99 8.721 -8.924 15.952 1.00 7.67 C ATOM 1538 C PRO A 99 8.767 -7.877 17.088 1.00 8.66 C ATOM 1539 O PRO A 99 7.807 -7.138 17.311 1.00 9.70 O ATOM 1540 CB PRO A 99 7.608 -9.958 16.164 1.00 8.35 C ATOM 1541 CG PRO A 99 8.303 -11.057 16.962 1.00 8.26 C ATOM 1542 CD PRO A 99 9.718 -11.063 16.383 1.00 7.05 C ATOM 0 HA PRO A 99 8.562 -8.329 15.053 1.00 7.67 H new ATOM 0 HB2 PRO A 99 6.764 -9.536 16.710 1.00 8.35 H new ATOM 0 HB3 PRO A 99 7.220 -10.332 15.217 1.00 8.35 H new ATOM 0 HG2 PRO A 99 8.305 -10.840 18.030 1.00 8.26 H new ATOM 0 HG3 PRO A 99 7.811 -12.021 16.834 1.00 8.26 H new ATOM 0 HD2 PRO A 99 10.450 -11.318 17.150 1.00 7.05 H new ATOM 0 HD3 PRO A 99 9.811 -11.809 15.593 1.00 7.05 H new ATOM 1550 N VAL A 100 9.888 -7.834 17.814 1.00 8.67 N ATOM 1551 CA VAL A 100 10.180 -6.993 18.974 1.00 9.72 C ATOM 1552 C VAL A 100 10.601 -5.579 18.545 1.00 10.46 C ATOM 1553 O VAL A 100 11.353 -5.403 17.579 1.00 10.54 O ATOM 1554 CB VAL A 100 11.240 -7.724 19.824 1.00 9.80 C ATOM 1555 CG1 VAL A 100 11.887 -6.837 20.891 1.00 10.74 C ATOM 1556 CG2 VAL A 100 10.597 -8.917 20.540 1.00 10.27 C ATOM 0 H VAL A 100 10.678 -8.437 17.585 1.00 8.67 H new ATOM 0 HA VAL A 100 9.289 -6.843 19.584 1.00 9.72 H new ATOM 0 HB VAL A 100 12.018 -8.036 19.127 1.00 9.80 H new ATOM 0 HG11 VAL A 100 12.621 -7.417 21.450 1.00 10.74 H new ATOM 0 HG12 VAL A 100 12.381 -5.992 20.411 1.00 10.74 H new ATOM 0 HG13 VAL A 100 11.120 -6.470 21.573 1.00 10.74 H new ATOM 0 HG21 VAL A 100 11.349 -9.430 21.139 1.00 10.27 H new ATOM 0 HG22 VAL A 100 9.796 -8.563 21.189 1.00 10.27 H new ATOM 0 HG23 VAL A 100 10.188 -9.607 19.802 1.00 10.27 H new ATOM 1566 N THR A 101 10.089 -4.577 19.261 1.00 11.30 N ATOM 1567 CA THR A 101 10.057 -3.150 18.876 1.00 12.26 C ATOM 1568 C THR A 101 11.035 -2.269 19.665 1.00 13.06 C ATOM 1569 O THR A 101 11.465 -2.632 20.764 1.00 13.74 O ATOM 1570 CB THR A 101 8.634 -2.571 19.034 1.00 12.84 C ATOM 1571 OG1 THR A 101 8.218 -2.569 20.388 1.00 13.21 O ATOM 1572 CG2 THR A 101 7.578 -3.332 18.234 1.00 12.76 C ATOM 0 H THR A 101 9.662 -4.738 20.173 1.00 11.30 H new ATOM 0 HA THR A 101 10.370 -3.131 17.832 1.00 12.26 H new ATOM 0 HB THR A 101 8.708 -1.554 18.649 1.00 12.84 H new ATOM 0 HG1 THR A 101 7.315 -2.195 20.452 1.00 13.21 H new ATOM 0 HG21 THR A 101 6.602 -2.873 18.390 1.00 12.76 H new ATOM 0 HG22 THR A 101 7.830 -3.297 17.174 1.00 12.76 H new ATOM 0 HG23 THR A 101 7.548 -4.370 18.566 1.00 12.76 H new ATOM 1580 N ASN A 102 11.326 -1.077 19.134 1.00 13.27 N ATOM 1581 CA ASN A 102 12.007 0.031 19.820 1.00 14.23 C ATOM 1582 C ASN A 102 11.012 1.154 20.191 1.00 14.73 C ATOM 1583 O ASN A 102 10.085 1.432 19.424 1.00 14.56 O ATOM 1584 CB ASN A 102 13.153 0.546 18.922 1.00 14.75 C ATOM 1585 CG ASN A 102 13.646 1.933 19.312 1.00 15.71 C ATOM 1586 OD1 ASN A 102 13.188 2.940 18.798 1.00 16.43 O ATOM 1587 ND2 ASN A 102 14.524 2.059 20.278 1.00 15.95 N ATOM 0 H ASN A 102 11.083 -0.846 18.171 1.00 13.27 H new ATOM 0 HA ASN A 102 12.431 -0.325 20.759 1.00 14.23 H new ATOM 0 HB2 ASN A 102 13.986 -0.155 18.970 1.00 14.75 H new ATOM 0 HB3 ASN A 102 12.813 0.567 17.887 1.00 14.75 H new ATOM 0 HD21 ASN A 102 14.812 2.987 20.587 1.00 15.95 H new ATOM 0 HD22 ASN A 102 14.918 1.229 20.720 1.00 15.95 H new ATOM 1594 N ARG A 103 11.263 1.847 21.314 1.00 15.65 N ATOM 1595 CA ARG A 103 10.528 3.021 21.825 1.00 16.48 C ATOM 1596 C ARG A 103 9.072 2.711 22.191 1.00 16.08 C ATOM 1597 O ARG A 103 8.773 2.534 23.372 1.00 16.38 O ATOM 1598 CB ARG A 103 10.757 4.223 20.882 1.00 17.49 C ATOM 1599 CG ARG A 103 10.167 5.548 21.379 1.00 18.47 C ATOM 1600 CD ARG A 103 10.623 6.693 20.465 1.00 19.57 C ATOM 1601 NE ARG A 103 9.995 7.964 20.850 1.00 20.51 N ATOM 1602 CZ ARG A 103 10.479 9.194 20.596 1.00 21.87 C ATOM 1603 NH1 ARG A 103 11.648 9.378 19.959 1.00 22.58 N ATOM 1604 NH2 ARG A 103 9.772 10.262 20.988 1.00 22.73 N ATOM 0 H ARG A 103 12.033 1.587 21.930 1.00 15.65 H new ATOM 0 HA ARG A 103 10.937 3.316 22.791 1.00 16.48 H new ATOM 0 HB2 ARG A 103 11.829 4.351 20.733 1.00 17.49 H new ATOM 0 HB3 ARG A 103 10.325 3.991 19.908 1.00 17.49 H new ATOM 0 HG2 ARG A 103 9.079 5.491 21.391 1.00 18.47 H new ATOM 0 HG3 ARG A 103 10.487 5.738 22.403 1.00 18.47 H new ATOM 0 HD2 ARG A 103 11.707 6.791 20.514 1.00 19.57 H new ATOM 0 HD3 ARG A 103 10.371 6.459 19.431 1.00 19.57 H new ATOM 0 HE ARG A 103 9.111 7.909 21.356 1.00 20.51 H new ATOM 0 HH11 ARG A 103 12.195 8.573 19.654 1.00 22.58 H new ATOM 0 HH12 ARG A 103 11.989 10.323 19.781 1.00 22.58 H new ATOM 0 HH21 ARG A 103 8.882 10.136 21.471 1.00 22.73 H new ATOM 0 HH22 ARG A 103 10.123 11.202 20.804 1.00 22.73 H new ATOM 1618 N GLY A 104 8.173 2.654 21.212 1.00 15.70 N ATOM 1619 CA GLY A 104 6.805 2.121 21.299 1.00 15.53 C ATOM 1620 C GLY A 104 5.768 2.915 22.112 1.00 15.82 C ATOM 1621 O GLY A 104 4.582 2.866 21.776 1.00 16.21 O ATOM 0 H GLY A 104 8.388 2.999 20.276 1.00 15.70 H new ATOM 0 HA2 GLY A 104 6.423 2.016 20.284 1.00 15.53 H new ATOM 0 HA3 GLY A 104 6.864 1.118 21.723 1.00 15.53 H new ATOM 1625 N ILE A 105 6.183 3.641 23.156 1.00 15.94 N ATOM 1626 CA ILE A 105 5.328 4.366 24.120 1.00 16.43 C ATOM 1627 C ILE A 105 5.601 5.894 24.156 1.00 17.34 C ATOM 1628 O ILE A 105 4.626 6.657 24.190 1.00 17.84 O ATOM 1629 CB ILE A 105 5.387 3.661 25.507 1.00 16.28 C ATOM 1630 CG1 ILE A 105 4.657 2.298 25.449 1.00 15.83 C ATOM 1631 CG2 ILE A 105 4.826 4.533 26.643 1.00 16.98 C ATOM 1632 CD1 ILE A 105 4.866 1.417 26.687 1.00 16.12 C ATOM 0 H ILE A 105 7.175 3.748 23.368 1.00 15.94 H new ATOM 0 HA ILE A 105 4.294 4.313 23.778 1.00 16.43 H new ATOM 0 HB ILE A 105 6.440 3.494 25.735 1.00 16.28 H new ATOM 0 HG12 ILE A 105 3.589 2.476 25.320 1.00 15.83 H new ATOM 0 HG13 ILE A 105 4.998 1.754 24.568 1.00 15.83 H new ATOM 0 HG21 ILE A 105 4.893 3.990 27.586 1.00 16.98 H new ATOM 0 HG22 ILE A 105 5.404 5.455 26.713 1.00 16.98 H new ATOM 0 HG23 ILE A 105 3.783 4.773 26.436 1.00 16.98 H new ATOM 0 HD11 ILE A 105 4.320 0.481 26.564 1.00 16.12 H new ATOM 0 HD12 ILE A 105 5.928 1.205 26.807 1.00 16.12 H new ATOM 0 HD13 ILE A 105 4.498 1.938 27.571 1.00 16.12 H new ATOM 1644 N PRO A 106 6.861 6.372 24.113 1.00 17.81 N ATOM 1645 CA PRO A 106 7.218 7.796 24.019 1.00 18.82 C ATOM 1646 C PRO A 106 7.004 8.410 22.630 1.00 18.62 C ATOM 1647 O PRO A 106 6.954 7.674 21.620 1.00 18.19 O ATOM 1648 CB PRO A 106 8.695 7.893 24.439 1.00 19.50 C ATOM 1649 CG PRO A 106 8.978 6.575 25.154 1.00 19.07 C ATOM 1650 CD PRO A 106 8.052 5.609 24.430 1.00 17.85 C ATOM 1651 OXT PRO A 106 6.874 9.625 22.499 1.00 19.15 O ATOM 0 HA PRO A 106 6.559 8.372 24.668 1.00 18.82 H new ATOM 0 HB2 PRO A 106 9.346 8.023 23.574 1.00 19.50 H new ATOM 0 HB3 PRO A 106 8.865 8.745 25.097 1.00 19.50 H new ATOM 0 HG2 PRO A 106 10.024 6.280 25.065 1.00 19.07 H new ATOM 0 HG3 PRO A 106 8.753 6.633 26.219 1.00 19.07 H new ATOM 0 HD2 PRO A 106 8.521 5.221 23.526 1.00 17.85 H new ATOM 0 HD3 PRO A 106 7.812 4.751 25.058 1.00 17.85 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -4.317 0.596 2.921 1.00 0.61 FE HETATM 1661 CHA HEC A 107 -4.456 -2.774 1.928 1.00 0.98 C HETATM 1662 CHB HEC A 107 -1.162 0.833 1.482 1.00 0.88 C HETATM 1663 CHC HEC A 107 -4.201 3.918 3.881 1.00 1.08 C HETATM 1664 CHD HEC A 107 -7.557 0.333 4.164 1.00 0.69 C HETATM 1665 NA HEC A 107 -3.025 -0.748 1.905 1.00 0.60 N HETATM 1666 C1A HEC A 107 -3.307 -2.056 1.611 1.00 0.78 C HETATM 1667 C2A HEC A 107 -2.217 -2.572 0.809 1.00 0.80 C HETATM 1668 C3A HEC A 107 -1.256 -1.584 0.755 1.00 0.71 C HETATM 1669 C4A HEC A 107 -1.800 -0.410 1.404 1.00 0.67 C HETATM 1670 CMA HEC A 107 0.100 -1.709 0.097 1.00 0.80 C HETATM 1671 CAA HEC A 107 -2.208 -3.875 0.019 1.00 0.90 C HETATM 1672 CBA HEC A 107 -1.633 -5.089 0.768 1.00 1.53 C HETATM 1673 CGA HEC A 107 -1.633 -6.378 -0.057 1.00 1.57 C HETATM 1674 O1A HEC A 107 -2.029 -7.423 0.500 1.00 2.43 O HETATM 1675 O2A HEC A 107 -1.214 -6.339 -1.233 1.00 2.29 O HETATM 1676 NB HEC A 107 -2.965 2.107 2.662 1.00 0.91 N HETATM 1677 C1B HEC A 107 -1.729 1.962 2.089 1.00 0.99 C HETATM 1678 C2B HEC A 107 -1.081 3.245 2.194 1.00 1.32 C HETATM 1679 C3B HEC A 107 -1.817 3.999 3.082 1.00 1.13 C HETATM 1680 C4B HEC A 107 -3.112 3.372 3.180 1.00 1.08 C HETATM 1681 CMB HEC A 107 0.208 3.666 1.530 1.00 1.79 C HETATM 1682 CAB HEC A 107 -1.228 4.829 4.204 1.00 0.91 C HETATM 1683 CBB HEC A 107 -0.570 6.128 3.735 1.00 1.20 C HETATM 1684 NC HEC A 107 -5.667 1.915 3.830 1.00 0.79 N HETATM 1685 C1C HEC A 107 -5.387 3.215 4.140 1.00 0.99 C HETATM 1686 C2C HEC A 107 -6.544 3.748 4.828 1.00 1.12 C HETATM 1687 C3C HEC A 107 -7.460 2.724 4.960 1.00 0.99 C HETATM 1688 C4C HEC A 107 -6.918 1.575 4.263 1.00 0.79 C HETATM 1689 CMC HEC A 107 -6.715 5.159 5.350 1.00 1.41 C HETATM 1690 CAC HEC A 107 -8.625 2.667 5.939 1.00 0.95 C HETATM 1691 CBC HEC A 107 -9.626 3.823 5.821 1.00 1.04 C HETATM 1692 ND HEC A 107 -5.725 -0.961 3.087 1.00 0.64 N HETATM 1693 C1D HEC A 107 -6.978 -0.809 3.608 1.00 0.65 C HETATM 1694 C2D HEC A 107 -7.655 -2.078 3.478 1.00 0.84 C HETATM 1695 C3D HEC A 107 -6.814 -2.923 2.787 1.00 0.99 C HETATM 1696 C4D HEC A 107 -5.556 -2.233 2.612 1.00 0.87 C HETATM 1697 CMD HEC A 107 -9.070 -2.395 3.898 1.00 0.97 C HETATM 1698 CAD HEC A 107 -7.240 -4.155 2.018 1.00 1.17 C HETATM 1699 CBD HEC A 107 -7.685 -3.812 0.584 1.00 1.84 C HETATM 1700 CGD HEC A 107 -6.617 -3.066 -0.208 1.00 2.98 C HETATM 1701 O1D HEC A 107 -5.737 -3.757 -0.762 1.00 4.11 O HETATM 1702 O2D HEC A 107 -6.650 -1.818 -0.191 1.00 3.52 O HETATM 0 HMD3 HEC A 107 -9.178 -2.227 4.970 1.00 0.97 H new HETATM 0 HMD2 HEC A 107 -9.763 -1.750 3.358 1.00 0.97 H new HETATM 0 HMD1 HEC A 107 -9.292 -3.437 3.670 1.00 0.97 H new HETATM 0 HMC3 HEC A 107 -5.937 5.373 6.083 1.00 1.41 H new HETATM 0 HMC2 HEC A 107 -6.638 5.865 4.523 1.00 1.41 H new HETATM 0 HMC1 HEC A 107 -7.693 5.257 5.820 1.00 1.41 H new HETATM 0 HMB3 HEC A 107 1.017 3.014 1.860 1.00 1.79 H new HETATM 0 HMB2 HEC A 107 0.101 3.592 0.448 1.00 1.79 H new HETATM 0 HMB1 HEC A 107 0.438 4.696 1.802 1.00 1.79 H new HETATM 0 HMA3 HEC A 107 0.661 -2.516 0.569 1.00 0.80 H new HETATM 0 HMA2 HEC A 107 -0.029 -1.929 -0.963 1.00 0.80 H new HETATM 0 HMA1 HEC A 107 0.647 -0.773 0.210 1.00 0.80 H new HETATM 0 HBD2 HEC A 107 -7.942 -4.732 0.059 1.00 1.84 H new HETATM 0 HBD1 HEC A 107 -8.589 -3.205 0.625 1.00 1.84 H new HETATM 0 HBC3 HEC A 107 -9.113 4.768 6.000 1.00 1.04 H new HETATM 0 HBC2 HEC A 107 -10.059 3.829 4.821 1.00 1.04 H new HETATM 0 HBC1 HEC A 107 -10.419 3.695 6.558 1.00 1.04 H new HETATM 0 HBB3 HEC A 107 0.242 5.896 3.045 1.00 1.20 H new HETATM 0 HBB2 HEC A 107 -1.310 6.749 3.229 1.00 1.20 H new HETATM 0 HBB1 HEC A 107 -0.172 6.666 4.596 1.00 1.20 H new HETATM 0 HBA2 HEC A 107 -0.611 -4.865 1.075 1.00 1.53 H new HETATM 0 HBA1 HEC A 107 -2.211 -5.251 1.678 1.00 1.53 H new HETATM 0 HAD2 HEC A 107 -6.413 -4.864 1.982 1.00 1.17 H new HETATM 0 HAD1 HEC A 107 -8.058 -4.646 2.544 1.00 1.17 H new HETATM 0 HAA2 HEC A 107 -3.230 -4.105 -0.284 1.00 0.90 H new HETATM 0 HAA1 HEC A 107 -1.631 -3.724 -0.894 1.00 0.90 H new HETATM 0 HHD HEC A 107 -8.574 0.253 4.547 1.00 0.69 H new HETATM 0 HHC HEC A 107 -4.120 4.943 4.243 1.00 1.08 H new HETATM 0 HHB HEC A 107 -0.168 0.929 1.046 1.00 0.88 H new HETATM 0 HHA HEC A 107 -4.505 -3.820 1.627 1.00 0.98 H new HETATM 0 H2D HEC A 107 -5.877 -1.464 -0.679 1.00 3.52 H new HETATM 0 H2A HEC A 107 -0.559 -7.055 -1.371 1.00 2.29 H new