USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=21 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 67 TYR OH : rot -165:sc= 1.32 USER MOD Set 1.2: A 107 HEC O2A : rot 150:sc= 1.07 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0.00133 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 161:sc= 1.02 (180deg=0.609) USER MOD Single : A 1 SER OG : rot -174:sc= 1.3 USER MOD Single : A 4 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 8 THR OG1 : rot -97:sc= 1.11 USER MOD Single : A 15 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 18 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-2.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.606 USER MOD Single : A 23 GLN : amide:sc= 0.825 K(o=0.83,f=-0.53) USER MOD Single : A 34 THR OG1 : rot -30:sc= 0.0337 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0685 X(o=-0.068,f=-0.37) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.17) USER MOD Single : A 61 MET CE :methyl 149:sc= -1.21 (180deg=-3.31!) USER MOD Single : A 66 GLN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0909 K(o=-0.091,f=-0.85) USER MOD Single : A 72 MET CE :methyl -172:sc= -0.0559 (180deg=-0.209) USER MOD Single : A 74 ASN : amide:sc= 1.07 K(o=1.1,f=-8.2!) USER MOD Single : A 75 MET CE :methyl -177:sc= 0 (180deg=-0.0182) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 83:sc= 0.275 USER MOD Single : A 88 TYR OH : rot 0:sc= 1.25 USER MOD Single : A 93 THR OG1 : rot 108:sc= 1.62 USER MOD Single : A 97 GLN : amide:sc= 0.922 K(o=0.92,f=-0.18) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.463 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.493 K(o=0.49,f=-5.9!) USER MOD Single : A 107 HEC O2D : rot 110:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.070 4.892 7.010 1.00 2.47 N ATOM 2 CA SER A 1 13.809 4.976 5.556 1.00 3.03 C ATOM 3 C SER A 1 12.362 5.303 5.147 1.00 2.51 C ATOM 4 O SER A 1 12.173 5.914 4.090 1.00 3.77 O ATOM 5 CB SER A 1 14.286 3.696 4.852 1.00 4.11 C ATOM 6 OG SER A 1 13.665 2.532 5.370 1.00 5.46 O ATOM 0 H1 SER A 1 14.953 4.367 7.175 1.00 2.47 H new ATOM 0 H2 SER A 1 14.159 5.851 7.403 1.00 2.47 H new ATOM 0 H3 SER A 1 13.282 4.399 7.476 1.00 2.47 H new ATOM 0 HA SER A 1 14.387 5.839 5.226 1.00 3.03 H new ATOM 0 HB2 SER A 1 14.077 3.772 3.785 1.00 4.11 H new ATOM 0 HB3 SER A 1 15.367 3.606 4.960 1.00 4.11 H new ATOM 0 HG SER A 1 14.062 1.738 4.956 1.00 5.46 H new ATOM 12 N GLY A 2 11.353 4.972 5.962 1.00 1.59 N ATOM 13 CA GLY A 2 9.922 5.172 5.634 1.00 1.08 C ATOM 14 C GLY A 2 8.927 4.971 6.789 1.00 0.96 C ATOM 15 O GLY A 2 7.787 5.428 6.726 1.00 1.09 O ATOM 0 H GLY A 2 11.501 4.553 6.880 1.00 1.59 H new ATOM 0 HA2 GLY A 2 9.797 6.183 5.246 1.00 1.08 H new ATOM 0 HA3 GLY A 2 9.656 4.487 4.829 1.00 1.08 H new ATOM 19 N GLU A 3 9.346 4.318 7.870 1.00 0.94 N ATOM 20 CA GLU A 3 8.568 4.063 9.087 1.00 0.90 C ATOM 21 C GLU A 3 7.990 5.332 9.731 1.00 0.97 C ATOM 22 O GLU A 3 6.821 5.345 10.104 1.00 0.98 O ATOM 23 CB GLU A 3 9.450 3.277 10.079 1.00 1.05 C ATOM 24 CG GLU A 3 10.646 4.028 10.699 1.00 2.59 C ATOM 25 CD GLU A 3 11.565 4.702 9.668 1.00 4.51 C ATOM 26 OE1 GLU A 3 12.001 4.022 8.706 1.00 5.73 O ATOM 27 OE2 GLU A 3 11.725 5.943 9.723 1.00 5.39 O ATOM 0 H GLU A 3 10.288 3.930 7.927 1.00 0.94 H new ATOM 0 HA GLU A 3 7.695 3.473 8.807 1.00 0.90 H new ATOM 0 HB2 GLU A 3 8.814 2.923 10.891 1.00 1.05 H new ATOM 0 HB3 GLU A 3 9.833 2.395 9.566 1.00 1.05 H new ATOM 0 HG2 GLU A 3 10.269 4.787 11.385 1.00 2.59 H new ATOM 0 HG3 GLU A 3 11.234 3.327 11.291 1.00 2.59 H new ATOM 34 N GLN A 4 8.755 6.429 9.798 1.00 1.12 N ATOM 35 CA GLN A 4 8.301 7.716 10.343 1.00 1.32 C ATOM 36 C GLN A 4 7.285 8.439 9.427 1.00 1.45 C ATOM 37 O GLN A 4 6.619 9.378 9.866 1.00 1.94 O ATOM 38 CB GLN A 4 9.534 8.568 10.704 1.00 1.55 C ATOM 39 CG GLN A 4 10.215 8.029 11.978 1.00 2.42 C ATOM 40 CD GLN A 4 11.628 8.562 12.184 1.00 3.52 C ATOM 41 OE1 GLN A 4 11.876 9.458 12.984 1.00 3.69 O ATOM 42 NE2 GLN A 4 12.605 8.004 11.505 1.00 5.04 N ATOM 0 H GLN A 4 9.721 6.448 9.471 1.00 1.12 H new ATOM 0 HA GLN A 4 7.734 7.535 11.256 1.00 1.32 H new ATOM 0 HB2 GLN A 4 10.243 8.560 9.876 1.00 1.55 H new ATOM 0 HB3 GLN A 4 9.234 9.605 10.857 1.00 1.55 H new ATOM 0 HG2 GLN A 4 9.607 8.290 12.844 1.00 2.42 H new ATOM 0 HG3 GLN A 4 10.249 6.941 11.929 1.00 2.42 H new ATOM 0 HE21 GLN A 4 12.402 7.259 10.839 1.00 5.04 H new ATOM 0 HE22 GLN A 4 13.566 8.316 11.644 1.00 5.04 H new ATOM 51 N ILE A 5 7.101 7.985 8.180 1.00 1.13 N ATOM 52 CA ILE A 5 5.958 8.360 7.328 1.00 1.04 C ATOM 53 C ILE A 5 4.765 7.436 7.613 1.00 0.96 C ATOM 54 O ILE A 5 3.657 7.918 7.843 1.00 1.03 O ATOM 55 CB ILE A 5 6.374 8.406 5.836 1.00 1.00 C ATOM 56 CG1 ILE A 5 7.371 9.572 5.638 1.00 1.07 C ATOM 57 CG2 ILE A 5 5.152 8.601 4.916 1.00 0.95 C ATOM 58 CD1 ILE A 5 8.047 9.596 4.266 1.00 1.17 C ATOM 0 H ILE A 5 7.748 7.339 7.727 1.00 1.13 H new ATOM 0 HA ILE A 5 5.631 9.371 7.572 1.00 1.04 H new ATOM 0 HB ILE A 5 6.839 7.457 5.570 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.844 10.514 5.787 1.00 1.07 H new ATOM 0 HG13 ILE A 5 8.140 9.512 6.408 1.00 1.07 H new ATOM 0 HG21 ILE A 5 5.480 8.629 3.877 1.00 0.95 H new ATOM 0 HG22 ILE A 5 4.456 7.774 5.055 1.00 0.95 H new ATOM 0 HG23 ILE A 5 4.655 9.539 5.165 1.00 0.95 H new ATOM 0 HD11 ILE A 5 8.729 10.444 4.211 1.00 1.17 H new ATOM 0 HD12 ILE A 5 8.605 8.671 4.119 1.00 1.17 H new ATOM 0 HD13 ILE A 5 7.289 9.690 3.488 1.00 1.17 H new ATOM 70 N PHE A 6 4.975 6.116 7.698 1.00 0.87 N ATOM 71 CA PHE A 6 3.904 5.161 8.017 1.00 0.83 C ATOM 72 C PHE A 6 3.226 5.472 9.366 1.00 0.90 C ATOM 73 O PHE A 6 2.004 5.592 9.447 1.00 1.02 O ATOM 74 CB PHE A 6 4.474 3.734 8.002 1.00 0.79 C ATOM 75 CG PHE A 6 3.415 2.660 8.156 1.00 0.91 C ATOM 76 CD1 PHE A 6 2.762 2.150 7.018 1.00 1.78 C ATOM 77 CD2 PHE A 6 3.065 2.183 9.434 1.00 1.24 C ATOM 78 CE1 PHE A 6 1.750 1.184 7.160 1.00 1.96 C ATOM 79 CE2 PHE A 6 2.059 1.213 9.573 1.00 1.39 C ATOM 80 CZ PHE A 6 1.399 0.716 8.437 1.00 1.38 C ATOM 0 H PHE A 6 5.886 5.681 7.549 1.00 0.87 H new ATOM 0 HA PHE A 6 3.129 5.252 7.256 1.00 0.83 H new ATOM 0 HB2 PHE A 6 5.009 3.574 7.066 1.00 0.79 H new ATOM 0 HB3 PHE A 6 5.202 3.633 8.807 1.00 0.79 H new ATOM 0 HD1 PHE A 6 3.039 2.501 6.035 1.00 1.78 H new ATOM 0 HD2 PHE A 6 3.571 2.564 10.309 1.00 1.24 H new ATOM 0 HE1 PHE A 6 1.242 0.802 6.287 1.00 1.96 H new ATOM 0 HE2 PHE A 6 1.793 0.849 10.554 1.00 1.39 H new ATOM 0 HZ PHE A 6 0.622 -0.026 8.545 1.00 1.38 H new ATOM 90 N ARG A 7 4.029 5.714 10.405 1.00 0.92 N ATOM 91 CA ARG A 7 3.627 6.083 11.773 1.00 1.11 C ATOM 92 C ARG A 7 2.896 7.432 11.874 1.00 1.32 C ATOM 93 O ARG A 7 2.248 7.695 12.888 1.00 1.66 O ATOM 94 CB ARG A 7 4.930 6.089 12.596 1.00 1.25 C ATOM 95 CG ARG A 7 4.799 6.482 14.074 1.00 1.67 C ATOM 96 CD ARG A 7 6.144 6.269 14.771 1.00 2.71 C ATOM 97 NE ARG A 7 6.152 6.855 16.118 1.00 3.46 N ATOM 98 CZ ARG A 7 6.930 6.451 17.138 1.00 4.45 C ATOM 99 NH1 ARG A 7 7.723 5.374 17.033 1.00 4.92 N ATOM 100 NH2 ARG A 7 6.913 7.146 18.282 1.00 5.40 N ATOM 0 H ARG A 7 5.043 5.655 10.312 1.00 0.92 H new ATOM 0 HA ARG A 7 2.896 5.366 12.147 1.00 1.11 H new ATOM 0 HB2 ARG A 7 5.372 5.094 12.544 1.00 1.25 H new ATOM 0 HB3 ARG A 7 5.632 6.774 12.121 1.00 1.25 H new ATOM 0 HG2 ARG A 7 4.492 7.524 14.160 1.00 1.67 H new ATOM 0 HG3 ARG A 7 4.027 5.882 14.555 1.00 1.67 H new ATOM 0 HD2 ARG A 7 6.356 5.202 14.836 1.00 2.71 H new ATOM 0 HD3 ARG A 7 6.939 6.716 14.174 1.00 2.71 H new ATOM 0 HE ARG A 7 5.515 7.632 16.294 1.00 3.46 H new ATOM 0 HH11 ARG A 7 7.746 4.840 16.164 1.00 4.92 H new ATOM 0 HH12 ARG A 7 8.303 5.089 17.822 1.00 4.92 H new ATOM 0 HH21 ARG A 7 6.316 7.968 18.370 1.00 5.40 H new ATOM 0 HH22 ARG A 7 7.497 6.853 19.065 1.00 5.40 H new ATOM 114 N THR A 8 2.973 8.278 10.839 1.00 1.21 N ATOM 115 CA THR A 8 2.325 9.602 10.790 1.00 1.39 C ATOM 116 C THR A 8 1.204 9.753 9.757 1.00 1.42 C ATOM 117 O THR A 8 0.458 10.733 9.833 1.00 1.85 O ATOM 118 CB THR A 8 3.355 10.733 10.635 1.00 1.49 C ATOM 119 OG1 THR A 8 4.135 10.596 9.466 1.00 1.60 O ATOM 120 CG2 THR A 8 4.324 10.780 11.813 1.00 1.61 C ATOM 0 H THR A 8 3.498 8.060 9.992 1.00 1.21 H new ATOM 0 HA THR A 8 1.832 9.685 11.759 1.00 1.39 H new ATOM 0 HB THR A 8 2.765 11.648 10.584 1.00 1.49 H new ATOM 0 HG1 THR A 8 4.986 10.164 9.689 1.00 1.60 H new ATOM 0 HG21 THR A 8 5.036 11.592 11.666 1.00 1.61 H new ATOM 0 HG22 THR A 8 3.768 10.947 12.735 1.00 1.61 H new ATOM 0 HG23 THR A 8 4.861 9.834 11.880 1.00 1.61 H new ATOM 128 N ARG A 9 1.070 8.812 8.806 1.00 1.06 N ATOM 129 CA ARG A 9 0.077 8.860 7.709 1.00 1.13 C ATOM 130 C ARG A 9 -0.739 7.570 7.499 1.00 1.00 C ATOM 131 O ARG A 9 -1.804 7.624 6.884 1.00 1.10 O ATOM 132 CB ARG A 9 0.757 9.254 6.382 1.00 1.34 C ATOM 133 CG ARG A 9 1.557 10.568 6.455 1.00 1.46 C ATOM 134 CD ARG A 9 1.689 11.262 5.092 1.00 1.62 C ATOM 135 NE ARG A 9 0.419 11.912 4.719 1.00 1.73 N ATOM 136 CZ ARG A 9 0.274 12.929 3.856 1.00 2.46 C ATOM 137 NH1 ARG A 9 1.305 13.389 3.128 1.00 3.23 N ATOM 138 NH2 ARG A 9 -0.929 13.505 3.728 1.00 3.77 N ATOM 0 H ARG A 9 1.658 7.979 8.774 1.00 1.06 H new ATOM 0 HA ARG A 9 -0.641 9.617 8.024 1.00 1.13 H new ATOM 0 HB2 ARG A 9 1.426 8.450 6.075 1.00 1.34 H new ATOM 0 HB3 ARG A 9 -0.005 9.347 5.608 1.00 1.34 H new ATOM 0 HG2 ARG A 9 1.070 11.245 7.157 1.00 1.46 H new ATOM 0 HG3 ARG A 9 2.552 10.361 6.850 1.00 1.46 H new ATOM 0 HD2 ARG A 9 2.487 12.004 5.131 1.00 1.62 H new ATOM 0 HD3 ARG A 9 1.968 10.533 4.331 1.00 1.62 H new ATOM 0 HE ARG A 9 -0.429 11.555 5.159 1.00 1.73 H new ATOM 0 HH11 ARG A 9 2.227 12.963 3.224 1.00 3.23 H new ATOM 0 HH12 ARG A 9 1.166 14.164 2.479 1.00 3.23 H new ATOM 0 HH21 ARG A 9 -1.717 13.169 4.282 1.00 3.77 H new ATOM 0 HH22 ARG A 9 -1.057 14.279 3.077 1.00 3.77 H new ATOM 152 N CYS A 10 -0.282 6.417 7.991 1.00 0.93 N ATOM 153 CA CYS A 10 -0.803 5.093 7.600 1.00 0.88 C ATOM 154 C CYS A 10 -1.173 4.136 8.740 1.00 0.89 C ATOM 155 O CYS A 10 -1.862 3.145 8.477 1.00 0.92 O ATOM 156 CB CYS A 10 0.254 4.376 6.757 1.00 0.86 C ATOM 157 SG CYS A 10 0.851 5.250 5.287 1.00 1.25 S ATOM 0 H CYS A 10 0.468 6.369 8.680 1.00 0.93 H new ATOM 0 HA CYS A 10 -1.730 5.318 7.072 1.00 0.88 H new ATOM 0 HB2 CYS A 10 1.110 4.160 7.396 1.00 0.86 H new ATOM 0 HB3 CYS A 10 -0.156 3.417 6.440 1.00 0.86 H new ATOM 162 N SER A 11 -0.710 4.379 9.972 1.00 1.02 N ATOM 163 CA SER A 11 -0.789 3.423 11.089 1.00 1.14 C ATOM 164 C SER A 11 -2.213 3.044 11.519 1.00 1.17 C ATOM 165 O SER A 11 -2.471 1.875 11.796 1.00 1.95 O ATOM 166 CB SER A 11 -0.016 3.975 12.295 1.00 1.26 C ATOM 167 OG SER A 11 -0.404 5.309 12.599 1.00 2.68 O ATOM 0 H SER A 11 -0.262 5.259 10.228 1.00 1.02 H new ATOM 0 HA SER A 11 -0.341 2.501 10.718 1.00 1.14 H new ATOM 0 HB2 SER A 11 -0.190 3.338 13.162 1.00 1.26 H new ATOM 0 HB3 SER A 11 1.054 3.945 12.087 1.00 1.26 H new ATOM 0 HG SER A 11 0.105 5.630 13.372 1.00 2.68 H new ATOM 173 N SER A 12 -3.154 3.992 11.532 1.00 1.37 N ATOM 174 CA SER A 12 -4.453 3.876 12.228 1.00 1.54 C ATOM 175 C SER A 12 -5.489 2.913 11.603 1.00 1.37 C ATOM 176 O SER A 12 -6.649 2.890 12.026 1.00 1.70 O ATOM 177 CB SER A 12 -5.064 5.271 12.394 1.00 1.95 C ATOM 178 OG SER A 12 -4.133 6.178 12.964 1.00 3.24 O ATOM 0 H SER A 12 -3.038 4.884 11.051 1.00 1.37 H new ATOM 0 HA SER A 12 -4.215 3.417 13.188 1.00 1.54 H new ATOM 0 HB2 SER A 12 -5.391 5.645 11.424 1.00 1.95 H new ATOM 0 HB3 SER A 12 -5.949 5.210 13.027 1.00 1.95 H new ATOM 0 HG SER A 12 -4.550 7.060 13.056 1.00 3.24 H new ATOM 184 N CYS A 13 -5.086 2.125 10.605 1.00 1.06 N ATOM 185 CA CYS A 13 -5.884 1.104 9.906 1.00 0.99 C ATOM 186 C CYS A 13 -5.115 -0.216 9.702 1.00 0.98 C ATOM 187 O CYS A 13 -5.671 -1.135 9.093 1.00 1.13 O ATOM 188 CB CYS A 13 -6.291 1.640 8.534 1.00 1.02 C ATOM 189 SG CYS A 13 -7.406 3.073 8.535 1.00 1.07 S ATOM 0 H CYS A 13 -4.136 2.182 10.237 1.00 1.06 H new ATOM 0 HA CYS A 13 -6.753 0.893 10.529 1.00 0.99 H new ATOM 0 HB2 CYS A 13 -5.386 1.910 7.989 1.00 1.02 H new ATOM 0 HB3 CYS A 13 -6.769 0.833 7.979 1.00 1.02 H new ATOM 194 N HIS A 14 -3.844 -0.320 10.120 1.00 1.07 N ATOM 195 CA HIS A 14 -2.911 -1.332 9.608 1.00 0.96 C ATOM 196 C HIS A 14 -1.853 -1.856 10.594 1.00 0.84 C ATOM 197 O HIS A 14 -1.519 -1.261 11.619 1.00 1.13 O ATOM 198 CB HIS A 14 -2.185 -0.751 8.380 1.00 1.36 C ATOM 199 CG HIS A 14 -2.975 -0.799 7.109 1.00 0.80 C ATOM 200 ND1 HIS A 14 -3.701 -1.857 6.634 1.00 1.64 N ATOM 201 CD2 HIS A 14 -2.971 0.168 6.161 1.00 1.21 C ATOM 202 CE1 HIS A 14 -4.147 -1.519 5.414 1.00 1.84 C ATOM 203 NE2 HIS A 14 -3.730 -0.278 5.064 1.00 0.75 N ATOM 0 H HIS A 14 -3.435 0.296 10.823 1.00 1.07 H new ATOM 0 HA HIS A 14 -3.535 -2.196 9.379 1.00 0.96 H new ATOM 0 HB2 HIS A 14 -1.919 0.285 8.588 1.00 1.36 H new ATOM 0 HB3 HIS A 14 -1.253 -1.296 8.234 1.00 1.36 H new ATOM 0 HD1 HIS A 14 -3.872 -2.739 7.117 1.00 1.64 H new ATOM 0 HD2 HIS A 14 -2.469 1.122 6.235 1.00 1.21 H new ATOM 0 HE1 HIS A 14 -4.759 -2.154 4.791 1.00 1.84 H new ATOM 211 N THR A 15 -1.252 -2.956 10.147 1.00 0.70 N ATOM 212 CA THR A 15 -0.076 -3.623 10.729 1.00 0.85 C ATOM 213 C THR A 15 0.947 -3.924 9.634 1.00 0.66 C ATOM 214 O THR A 15 0.584 -4.190 8.487 1.00 0.69 O ATOM 215 CB THR A 15 -0.438 -4.930 11.463 1.00 1.27 C ATOM 216 OG1 THR A 15 -1.141 -5.833 10.649 1.00 1.83 O ATOM 217 CG2 THR A 15 -1.283 -4.704 12.713 1.00 1.55 C ATOM 0 H THR A 15 -1.590 -3.441 9.316 1.00 0.70 H new ATOM 0 HA THR A 15 0.346 -2.939 11.465 1.00 0.85 H new ATOM 0 HB THR A 15 0.530 -5.346 11.742 1.00 1.27 H new ATOM 0 HG1 THR A 15 -0.518 -6.493 10.279 1.00 1.83 H new ATOM 0 HG21 THR A 15 -1.503 -5.663 13.182 1.00 1.55 H new ATOM 0 HG22 THR A 15 -0.735 -4.075 13.414 1.00 1.55 H new ATOM 0 HG23 THR A 15 -2.216 -4.213 12.437 1.00 1.55 H new ATOM 225 N VAL A 16 2.235 -3.926 9.981 1.00 0.72 N ATOM 226 CA VAL A 16 3.304 -4.467 9.125 1.00 0.69 C ATOM 227 C VAL A 16 4.022 -5.552 9.916 1.00 0.80 C ATOM 228 O VAL A 16 4.996 -5.306 10.630 1.00 1.06 O ATOM 229 CB VAL A 16 4.257 -3.389 8.572 1.00 0.82 C ATOM 230 CG1 VAL A 16 5.082 -3.988 7.419 1.00 1.36 C ATOM 231 CG2 VAL A 16 3.500 -2.175 8.021 1.00 1.41 C ATOM 0 H VAL A 16 2.573 -3.551 10.868 1.00 0.72 H new ATOM 0 HA VAL A 16 2.863 -4.896 8.225 1.00 0.69 H new ATOM 0 HB VAL A 16 4.891 -3.063 9.397 1.00 0.82 H new ATOM 0 HG11 VAL A 16 5.758 -3.230 7.023 1.00 1.36 H new ATOM 0 HG12 VAL A 16 5.661 -4.834 7.788 1.00 1.36 H new ATOM 0 HG13 VAL A 16 4.411 -4.324 6.628 1.00 1.36 H new ATOM 0 HG21 VAL A 16 4.213 -1.443 7.643 1.00 1.41 H new ATOM 0 HG22 VAL A 16 2.842 -2.493 7.212 1.00 1.41 H new ATOM 0 HG23 VAL A 16 2.905 -1.725 8.816 1.00 1.41 H new ATOM 241 N GLY A 17 3.455 -6.753 9.846 1.00 0.83 N ATOM 242 CA GLY A 17 3.862 -7.902 10.665 1.00 1.03 C ATOM 243 C GLY A 17 3.126 -7.934 12.003 1.00 1.25 C ATOM 244 O GLY A 17 3.748 -8.104 13.054 1.00 1.51 O ATOM 0 H GLY A 17 2.686 -6.964 9.209 1.00 0.83 H new ATOM 0 HA2 GLY A 17 3.665 -8.825 10.120 1.00 1.03 H new ATOM 0 HA3 GLY A 17 4.937 -7.860 10.842 1.00 1.03 H new ATOM 248 N ASN A 18 1.812 -7.682 11.957 1.00 1.97 N ATOM 249 CA ASN A 18 0.882 -7.610 13.090 1.00 2.54 C ATOM 250 C ASN A 18 1.360 -6.699 14.252 1.00 2.17 C ATOM 251 O ASN A 18 1.411 -7.103 15.419 1.00 2.96 O ATOM 252 CB ASN A 18 0.484 -9.015 13.506 1.00 4.42 C ATOM 253 CG ASN A 18 -0.793 -9.083 14.326 1.00 5.78 C ATOM 254 OD1 ASN A 18 -1.573 -8.145 14.413 1.00 6.25 O ATOM 255 ND2 ASN A 18 -1.083 -10.219 14.904 1.00 7.20 N ATOM 0 H ASN A 18 1.340 -7.512 11.069 1.00 1.97 H new ATOM 0 HA ASN A 18 -0.020 -7.096 12.757 1.00 2.54 H new ATOM 0 HB2 ASN A 18 0.361 -9.626 12.612 1.00 4.42 H new ATOM 0 HB3 ASN A 18 1.297 -9.455 14.083 1.00 4.42 H new ATOM 0 HD21 ASN A 18 -1.955 -10.319 15.423 1.00 7.20 H new ATOM 0 HD22 ASN A 18 -0.437 -11.006 14.836 1.00 7.20 H new ATOM 262 N THR A 19 1.758 -5.473 13.900 1.00 3.43 N ATOM 263 CA THR A 19 2.166 -4.384 14.796 1.00 5.52 C ATOM 264 C THR A 19 1.235 -4.237 16.002 1.00 5.74 C ATOM 265 O THR A 19 0.084 -3.835 15.836 1.00 6.05 O ATOM 266 CB THR A 19 2.184 -3.045 14.029 1.00 7.52 C ATOM 267 OG1 THR A 19 2.824 -3.180 12.776 1.00 7.74 O ATOM 268 CG2 THR A 19 2.911 -1.959 14.818 1.00 9.59 C ATOM 0 H THR A 19 1.807 -5.196 12.920 1.00 3.43 H new ATOM 0 HA THR A 19 3.162 -4.637 15.160 1.00 5.52 H new ATOM 0 HB THR A 19 1.142 -2.759 13.884 1.00 7.52 H new ATOM 0 HG1 THR A 19 2.819 -2.317 12.312 1.00 7.74 H new ATOM 0 HG21 THR A 19 2.905 -1.030 14.249 1.00 9.59 H new ATOM 0 HG22 THR A 19 2.407 -1.803 15.772 1.00 9.59 H new ATOM 0 HG23 THR A 19 3.941 -2.268 14.998 1.00 9.59 H new ATOM 276 N GLU A 20 1.764 -4.484 17.205 1.00 6.44 N ATOM 277 CA GLU A 20 1.097 -4.319 18.512 1.00 7.11 C ATOM 278 C GLU A 20 -0.235 -5.094 18.744 1.00 6.90 C ATOM 279 O GLU A 20 -0.841 -5.613 17.801 1.00 6.34 O ATOM 280 CB GLU A 20 0.956 -2.817 18.827 1.00 8.07 C ATOM 281 CG GLU A 20 2.310 -2.125 19.015 1.00 8.82 C ATOM 282 CD GLU A 20 2.082 -0.698 19.500 1.00 9.69 C ATOM 283 OE1 GLU A 20 1.835 0.213 18.677 1.00 10.19 O ATOM 284 OE2 GLU A 20 2.090 -0.479 20.735 1.00 10.23 O ATOM 0 H GLU A 20 2.721 -4.823 17.304 1.00 6.44 H new ATOM 0 HA GLU A 20 1.760 -4.809 19.225 1.00 7.11 H new ATOM 0 HB2 GLU A 20 0.412 -2.329 18.018 1.00 8.07 H new ATOM 0 HB3 GLU A 20 0.360 -2.694 19.731 1.00 8.07 H new ATOM 0 HG2 GLU A 20 2.915 -2.674 19.736 1.00 8.82 H new ATOM 0 HG3 GLU A 20 2.862 -2.118 18.075 1.00 8.82 H new ATOM 291 N PRO A 21 -0.711 -5.200 20.007 1.00 7.62 N ATOM 292 CA PRO A 21 -1.960 -5.891 20.358 1.00 7.81 C ATOM 293 C PRO A 21 -3.252 -5.261 19.812 1.00 7.67 C ATOM 294 O PRO A 21 -3.317 -4.055 19.546 1.00 8.01 O ATOM 295 CB PRO A 21 -2.005 -5.914 21.891 1.00 8.89 C ATOM 296 CG PRO A 21 -0.540 -5.838 22.295 1.00 9.11 C ATOM 297 CD PRO A 21 0.019 -4.897 21.235 1.00 8.52 C ATOM 0 HA PRO A 21 -1.937 -6.878 19.895 1.00 7.81 H new ATOM 0 HB2 PRO A 21 -2.574 -5.073 22.288 1.00 8.89 H new ATOM 0 HB3 PRO A 21 -2.477 -6.823 22.264 1.00 8.89 H new ATOM 0 HG2 PRO A 21 -0.412 -5.443 23.303 1.00 9.11 H new ATOM 0 HG3 PRO A 21 -0.057 -6.815 22.272 1.00 9.11 H new ATOM 0 HD2 PRO A 21 -0.119 -3.855 21.525 1.00 8.52 H new ATOM 0 HD3 PRO A 21 1.090 -5.051 21.101 1.00 8.52 H new ATOM 305 N GLY A 22 -4.314 -6.074 19.768 1.00 7.65 N ATOM 306 CA GLY A 22 -5.697 -5.649 19.524 1.00 7.81 C ATOM 307 C GLY A 22 -6.098 -5.606 18.044 1.00 6.95 C ATOM 308 O GLY A 22 -6.066 -6.626 17.347 1.00 6.72 O ATOM 0 H GLY A 22 -4.231 -7.081 19.906 1.00 7.65 H new ATOM 0 HA2 GLY A 22 -6.370 -6.326 20.050 1.00 7.81 H new ATOM 0 HA3 GLY A 22 -5.841 -4.658 19.955 1.00 7.81 H new ATOM 312 N GLN A 23 -6.551 -4.438 17.583 1.00 6.97 N ATOM 313 CA GLN A 23 -6.924 -4.159 16.192 1.00 6.47 C ATOM 314 C GLN A 23 -6.767 -2.651 15.909 1.00 6.35 C ATOM 315 O GLN A 23 -7.589 -1.873 16.401 1.00 6.50 O ATOM 316 CB GLN A 23 -8.384 -4.607 15.961 1.00 6.75 C ATOM 317 CG GLN A 23 -8.854 -4.408 14.506 1.00 7.23 C ATOM 318 CD GLN A 23 -10.293 -4.870 14.282 1.00 8.10 C ATOM 319 OE1 GLN A 23 -11.087 -5.017 15.203 1.00 8.64 O ATOM 320 NE2 GLN A 23 -10.702 -5.063 13.047 1.00 8.88 N ATOM 0 H GLN A 23 -6.673 -3.628 18.191 1.00 6.97 H new ATOM 0 HA GLN A 23 -6.273 -4.709 15.512 1.00 6.47 H new ATOM 0 HB2 GLN A 23 -8.481 -5.659 16.227 1.00 6.75 H new ATOM 0 HB3 GLN A 23 -9.040 -4.047 16.628 1.00 6.75 H new ATOM 0 HG2 GLN A 23 -8.770 -3.354 14.243 1.00 7.23 H new ATOM 0 HG3 GLN A 23 -8.192 -4.957 13.836 1.00 7.23 H new ATOM 0 HE21 GLN A 23 -10.052 -4.944 12.270 1.00 8.88 H new ATOM 0 HE22 GLN A 23 -11.669 -5.331 12.866 1.00 8.88 H new ATOM 329 N PRO A 24 -5.771 -2.211 15.111 1.00 6.70 N ATOM 330 CA PRO A 24 -5.582 -0.799 14.774 1.00 7.18 C ATOM 331 C PRO A 24 -6.650 -0.314 13.790 1.00 6.64 C ATOM 332 O PRO A 24 -6.471 -0.385 12.573 1.00 6.78 O ATOM 333 CB PRO A 24 -4.149 -0.682 14.242 1.00 8.30 C ATOM 334 CG PRO A 24 -3.866 -2.069 13.674 1.00 8.25 C ATOM 335 CD PRO A 24 -4.678 -3.009 14.567 1.00 7.40 C ATOM 0 HA PRO A 24 -5.705 -0.148 15.639 1.00 7.18 H new ATOM 0 HB2 PRO A 24 -4.067 0.090 13.477 1.00 8.30 H new ATOM 0 HB3 PRO A 24 -3.447 -0.422 15.034 1.00 8.30 H new ATOM 0 HG2 PRO A 24 -4.175 -2.144 12.631 1.00 8.25 H new ATOM 0 HG3 PRO A 24 -2.802 -2.305 13.709 1.00 8.25 H new ATOM 0 HD2 PRO A 24 -5.061 -3.855 13.996 1.00 7.40 H new ATOM 0 HD3 PRO A 24 -4.059 -3.418 15.366 1.00 7.40 H new ATOM 343 N GLY A 25 -7.790 0.128 14.335 1.00 6.50 N ATOM 344 CA GLY A 25 -8.973 0.605 13.616 1.00 6.28 C ATOM 345 C GLY A 25 -9.624 -0.474 12.747 1.00 4.84 C ATOM 346 O GLY A 25 -10.653 -1.043 13.110 1.00 5.38 O ATOM 0 H GLY A 25 -7.917 0.163 15.346 1.00 6.50 H new ATOM 0 HA2 GLY A 25 -9.704 0.973 14.336 1.00 6.28 H new ATOM 0 HA3 GLY A 25 -8.692 1.449 12.987 1.00 6.28 H new ATOM 350 N ILE A 26 -8.997 -0.743 11.601 1.00 3.38 N ATOM 351 CA ILE A 26 -9.458 -1.624 10.524 1.00 2.26 C ATOM 352 C ILE A 26 -8.723 -2.974 10.593 1.00 2.67 C ATOM 353 O ILE A 26 -9.366 -4.011 10.769 1.00 3.67 O ATOM 354 CB ILE A 26 -9.292 -0.898 9.165 1.00 1.24 C ATOM 355 CG1 ILE A 26 -9.823 0.557 9.155 1.00 2.07 C ATOM 356 CG2 ILE A 26 -9.937 -1.685 8.021 1.00 1.29 C ATOM 357 CD1 ILE A 26 -11.269 0.752 9.623 1.00 1.60 C ATOM 0 H ILE A 26 -8.093 -0.324 11.385 1.00 3.38 H new ATOM 0 HA ILE A 26 -10.518 -1.850 10.639 1.00 2.26 H new ATOM 0 HB ILE A 26 -8.214 -0.845 9.012 1.00 1.24 H new ATOM 0 HG12 ILE A 26 -9.174 1.163 9.787 1.00 2.07 H new ATOM 0 HG13 ILE A 26 -9.735 0.947 8.141 1.00 2.07 H new ATOM 0 HG21 ILE A 26 -9.800 -1.144 7.085 1.00 1.29 H new ATOM 0 HG22 ILE A 26 -9.469 -2.666 7.945 1.00 1.29 H new ATOM 0 HG23 ILE A 26 -11.002 -1.806 8.218 1.00 1.29 H new ATOM 0 HD11 ILE A 26 -11.528 1.810 9.573 1.00 1.60 H new ATOM 0 HD12 ILE A 26 -11.940 0.183 8.979 1.00 1.60 H new ATOM 0 HD13 ILE A 26 -11.369 0.403 10.651 1.00 1.60 H new ATOM 369 N GLY A 27 -7.385 -2.960 10.557 1.00 2.62 N ATOM 370 CA GLY A 27 -6.508 -4.066 10.973 1.00 3.59 C ATOM 371 C GLY A 27 -5.719 -4.901 9.936 1.00 2.49 C ATOM 372 O GLY A 27 -4.774 -5.557 10.383 1.00 2.19 O ATOM 0 H GLY A 27 -6.862 -2.149 10.226 1.00 2.62 H new ATOM 0 HA2 GLY A 27 -5.778 -3.649 11.667 1.00 3.59 H new ATOM 0 HA3 GLY A 27 -7.124 -4.764 11.540 1.00 3.59 H new ATOM 376 N PRO A 28 -6.001 -4.954 8.612 1.00 2.36 N ATOM 377 CA PRO A 28 -5.359 -5.941 7.728 1.00 1.88 C ATOM 378 C PRO A 28 -3.858 -5.682 7.496 1.00 1.43 C ATOM 379 O PRO A 28 -3.422 -4.534 7.379 1.00 1.42 O ATOM 380 CB PRO A 28 -6.171 -5.943 6.429 1.00 2.66 C ATOM 381 CG PRO A 28 -6.804 -4.554 6.399 1.00 3.28 C ATOM 382 CD PRO A 28 -7.037 -4.241 7.878 1.00 3.15 C ATOM 0 HA PRO A 28 -5.369 -6.925 8.196 1.00 1.88 H new ATOM 0 HB2 PRO A 28 -5.536 -6.113 5.560 1.00 2.66 H new ATOM 0 HB3 PRO A 28 -6.927 -6.728 6.430 1.00 2.66 H new ATOM 0 HG2 PRO A 28 -6.145 -3.822 5.932 1.00 3.28 H new ATOM 0 HG3 PRO A 28 -7.737 -4.549 5.835 1.00 3.28 H new ATOM 0 HD2 PRO A 28 -6.977 -3.168 8.063 1.00 3.15 H new ATOM 0 HD3 PRO A 28 -8.029 -4.564 8.193 1.00 3.15 H new ATOM 390 N ASP A 29 -3.075 -6.762 7.403 1.00 1.36 N ATOM 391 CA ASP A 29 -1.605 -6.749 7.460 1.00 1.18 C ATOM 392 C ASP A 29 -0.891 -6.571 6.105 1.00 1.20 C ATOM 393 O ASP A 29 -1.412 -6.963 5.054 1.00 1.61 O ATOM 394 CB ASP A 29 -1.129 -8.034 8.157 1.00 1.39 C ATOM 395 CG ASP A 29 0.366 -7.965 8.453 1.00 1.68 C ATOM 396 OD1 ASP A 29 0.742 -7.178 9.350 1.00 2.77 O ATOM 397 OD2 ASP A 29 1.159 -8.617 7.732 1.00 2.48 O ATOM 0 H ASP A 29 -3.457 -7.700 7.282 1.00 1.36 H new ATOM 0 HA ASP A 29 -1.329 -5.860 8.026 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -1.682 -8.176 9.085 1.00 1.39 H new ATOM 0 HB3 ASP A 29 -1.340 -8.896 7.525 1.00 1.39 H new ATOM 402 N LEU A 30 0.327 -6.009 6.136 1.00 0.87 N ATOM 403 CA LEU A 30 1.119 -5.634 4.954 1.00 0.89 C ATOM 404 C LEU A 30 2.495 -6.330 4.831 1.00 0.89 C ATOM 405 O LEU A 30 3.197 -6.096 3.847 1.00 1.06 O ATOM 406 CB LEU A 30 1.309 -4.104 4.932 1.00 0.90 C ATOM 407 CG LEU A 30 0.050 -3.265 5.225 1.00 0.89 C ATOM 408 CD1 LEU A 30 0.399 -1.773 5.205 1.00 0.96 C ATOM 409 CD2 LEU A 30 -1.050 -3.469 4.178 1.00 1.23 C ATOM 0 H LEU A 30 0.803 -5.796 7.012 1.00 0.87 H new ATOM 0 HA LEU A 30 0.545 -5.982 4.095 1.00 0.89 H new ATOM 0 HB2 LEU A 30 2.075 -3.842 5.662 1.00 0.90 H new ATOM 0 HB3 LEU A 30 1.692 -3.819 3.952 1.00 0.90 H new ATOM 0 HG LEU A 30 -0.310 -3.591 6.201 1.00 0.89 H new ATOM 0 HD11 LEU A 30 -0.496 -1.187 5.413 1.00 0.96 H new ATOM 0 HD12 LEU A 30 1.153 -1.565 5.964 1.00 0.96 H new ATOM 0 HD13 LEU A 30 0.789 -1.504 4.223 1.00 0.96 H new ATOM 0 HD21 LEU A 30 -1.914 -2.855 4.433 1.00 1.23 H new ATOM 0 HD22 LEU A 30 -0.676 -3.179 3.196 1.00 1.23 H new ATOM 0 HD23 LEU A 30 -1.344 -4.518 4.159 1.00 1.23 H new ATOM 421 N LEU A 31 2.924 -7.163 5.788 1.00 0.88 N ATOM 422 CA LEU A 31 4.227 -7.844 5.692 1.00 0.98 C ATOM 423 C LEU A 31 4.263 -8.816 4.507 1.00 1.19 C ATOM 424 O LEU A 31 3.271 -9.488 4.221 1.00 1.90 O ATOM 425 CB LEU A 31 4.575 -8.512 7.020 1.00 0.98 C ATOM 426 CG LEU A 31 6.012 -9.060 7.051 1.00 1.27 C ATOM 427 CD1 LEU A 31 6.676 -8.741 8.384 1.00 2.05 C ATOM 428 CD2 LEU A 31 6.056 -10.564 6.815 1.00 2.23 C ATOM 0 H LEU A 31 2.395 -7.382 6.632 1.00 0.88 H new ATOM 0 HA LEU A 31 4.999 -7.101 5.494 1.00 0.98 H new ATOM 0 HB2 LEU A 31 4.448 -7.792 7.828 1.00 0.98 H new ATOM 0 HB3 LEU A 31 3.876 -9.327 7.206 1.00 0.98 H new ATOM 0 HG LEU A 31 6.555 -8.572 6.241 1.00 1.27 H new ATOM 0 HD11 LEU A 31 7.692 -9.136 8.388 1.00 2.05 H new ATOM 0 HD12 LEU A 31 6.706 -7.661 8.526 1.00 2.05 H new ATOM 0 HD13 LEU A 31 6.106 -9.198 9.193 1.00 2.05 H new ATOM 0 HD21 LEU A 31 7.090 -10.907 6.845 1.00 2.23 H new ATOM 0 HD22 LEU A 31 5.483 -11.071 7.591 1.00 2.23 H new ATOM 0 HD23 LEU A 31 5.627 -10.792 5.839 1.00 2.23 H new ATOM 440 N GLY A 32 5.395 -8.879 3.808 1.00 1.00 N ATOM 441 CA GLY A 32 5.578 -9.710 2.605 1.00 1.15 C ATOM 442 C GLY A 32 4.982 -9.132 1.313 1.00 0.95 C ATOM 443 O GLY A 32 5.242 -9.664 0.233 1.00 1.02 O ATOM 0 H GLY A 32 6.228 -8.348 4.061 1.00 1.00 H new ATOM 0 HA2 GLY A 32 6.645 -9.871 2.453 1.00 1.15 H new ATOM 0 HA3 GLY A 32 5.131 -10.687 2.787 1.00 1.15 H new ATOM 447 N VAL A 33 4.265 -7.998 1.360 1.00 0.82 N ATOM 448 CA VAL A 33 3.693 -7.359 0.154 1.00 0.89 C ATOM 449 C VAL A 33 4.766 -7.014 -0.896 1.00 0.73 C ATOM 450 O VAL A 33 4.529 -7.139 -2.096 1.00 0.93 O ATOM 451 CB VAL A 33 2.844 -6.133 0.550 1.00 1.13 C ATOM 452 CG1 VAL A 33 3.676 -4.908 0.951 1.00 1.99 C ATOM 453 CG2 VAL A 33 1.889 -5.725 -0.567 1.00 1.81 C ATOM 0 H VAL A 33 4.064 -7.498 2.226 1.00 0.82 H new ATOM 0 HA VAL A 33 3.035 -8.083 -0.327 1.00 0.89 H new ATOM 0 HB VAL A 33 2.283 -6.460 1.426 1.00 1.13 H new ATOM 0 HG11 VAL A 33 3.010 -4.087 1.216 1.00 1.99 H new ATOM 0 HG12 VAL A 33 4.302 -5.158 1.807 1.00 1.99 H new ATOM 0 HG13 VAL A 33 4.308 -4.608 0.115 1.00 1.99 H new ATOM 0 HG21 VAL A 33 1.308 -4.858 -0.251 1.00 1.81 H new ATOM 0 HG22 VAL A 33 2.460 -5.473 -1.460 1.00 1.81 H new ATOM 0 HG23 VAL A 33 1.215 -6.552 -0.789 1.00 1.81 H new ATOM 463 N THR A 34 5.983 -6.708 -0.426 1.00 0.65 N ATOM 464 CA THR A 34 7.216 -6.469 -1.205 1.00 0.96 C ATOM 465 C THR A 34 7.690 -7.677 -2.039 1.00 0.87 C ATOM 466 O THR A 34 8.554 -7.530 -2.904 1.00 1.33 O ATOM 467 CB THR A 34 8.321 -6.008 -0.231 1.00 1.41 C ATOM 468 OG1 THR A 34 9.421 -5.453 -0.909 1.00 2.10 O ATOM 469 CG2 THR A 34 8.834 -7.150 0.652 1.00 2.57 C ATOM 0 H THR A 34 6.148 -6.613 0.576 1.00 0.65 H new ATOM 0 HA THR A 34 6.991 -5.698 -1.942 1.00 0.96 H new ATOM 0 HB THR A 34 7.852 -5.249 0.396 1.00 1.41 H new ATOM 0 HG1 THR A 34 9.509 -5.874 -1.789 1.00 2.10 H new ATOM 0 HG21 THR A 34 9.610 -6.774 1.319 1.00 2.57 H new ATOM 0 HG22 THR A 34 8.011 -7.551 1.243 1.00 2.57 H new ATOM 0 HG23 THR A 34 9.247 -7.939 0.023 1.00 2.57 H new ATOM 477 N ARG A 35 7.131 -8.876 -1.815 1.00 0.69 N ATOM 478 CA ARG A 35 7.332 -10.062 -2.668 1.00 0.97 C ATOM 479 C ARG A 35 6.056 -10.617 -3.294 1.00 1.16 C ATOM 480 O ARG A 35 6.123 -11.185 -4.380 1.00 1.73 O ATOM 481 CB ARG A 35 8.128 -11.155 -1.935 1.00 1.34 C ATOM 482 CG ARG A 35 7.443 -11.725 -0.678 1.00 1.99 C ATOM 483 CD ARG A 35 8.039 -13.077 -0.259 1.00 3.01 C ATOM 484 NE ARG A 35 7.661 -14.151 -1.194 1.00 4.08 N ATOM 485 CZ ARG A 35 6.503 -14.842 -1.184 1.00 5.92 C ATOM 486 NH1 ARG A 35 5.568 -14.655 -0.234 1.00 7.10 N ATOM 487 NH2 ARG A 35 6.280 -15.738 -2.157 1.00 7.10 N ATOM 0 H ARG A 35 6.515 -9.054 -1.022 1.00 0.69 H new ATOM 0 HA ARG A 35 7.927 -9.709 -3.511 1.00 0.97 H new ATOM 0 HB2 ARG A 35 8.318 -11.973 -2.630 1.00 1.34 H new ATOM 0 HB3 ARG A 35 9.098 -10.748 -1.649 1.00 1.34 H new ATOM 0 HG2 ARG A 35 7.544 -11.015 0.143 1.00 1.99 H new ATOM 0 HG3 ARG A 35 6.376 -11.843 -0.869 1.00 1.99 H new ATOM 0 HD2 ARG A 35 9.125 -12.998 -0.215 1.00 3.01 H new ATOM 0 HD3 ARG A 35 7.697 -13.331 0.744 1.00 3.01 H new ATOM 0 HE ARG A 35 8.339 -14.395 -1.916 1.00 4.08 H new ATOM 0 HH11 ARG A 35 5.725 -13.973 0.508 1.00 7.10 H new ATOM 0 HH12 ARG A 35 4.703 -15.195 -0.257 1.00 7.10 H new ATOM 0 HH21 ARG A 35 6.979 -15.885 -2.885 1.00 7.10 H new ATOM 0 HH22 ARG A 35 5.411 -16.272 -2.169 1.00 7.10 H new ATOM 501 N GLN A 36 4.892 -10.423 -2.673 1.00 0.96 N ATOM 502 CA GLN A 36 3.619 -10.898 -3.230 1.00 1.26 C ATOM 503 C GLN A 36 3.145 -10.070 -4.437 1.00 1.27 C ATOM 504 O GLN A 36 2.463 -10.620 -5.305 1.00 1.60 O ATOM 505 CB GLN A 36 2.544 -10.914 -2.133 1.00 1.60 C ATOM 506 CG GLN A 36 2.767 -11.984 -1.048 1.00 1.96 C ATOM 507 CD GLN A 36 2.412 -13.414 -1.462 1.00 2.89 C ATOM 508 OE1 GLN A 36 2.224 -13.754 -2.626 1.00 4.04 O ATOM 509 NE2 GLN A 36 2.267 -14.304 -0.508 1.00 3.46 N ATOM 0 H GLN A 36 4.802 -9.938 -1.780 1.00 0.96 H new ATOM 0 HA GLN A 36 3.787 -11.910 -3.597 1.00 1.26 H new ATOM 0 HB2 GLN A 36 2.510 -9.933 -1.659 1.00 1.60 H new ATOM 0 HB3 GLN A 36 1.571 -11.079 -2.596 1.00 1.60 H new ATOM 0 HG2 GLN A 36 3.814 -11.959 -0.746 1.00 1.96 H new ATOM 0 HG3 GLN A 36 2.176 -11.719 -0.172 1.00 1.96 H new ATOM 0 HE21 GLN A 36 2.419 -14.038 0.465 1.00 3.46 H new ATOM 0 HE22 GLN A 36 2.002 -15.261 -0.740 1.00 3.46 H new ATOM 518 N ARG A 37 3.476 -8.771 -4.524 1.00 1.15 N ATOM 519 CA ARG A 37 2.944 -7.837 -5.543 1.00 1.36 C ATOM 520 C ARG A 37 4.029 -7.288 -6.481 1.00 1.36 C ATOM 521 O ARG A 37 5.185 -7.122 -6.079 1.00 1.84 O ATOM 522 CB ARG A 37 2.194 -6.676 -4.860 1.00 1.60 C ATOM 523 CG ARG A 37 1.169 -7.091 -3.789 1.00 1.82 C ATOM 524 CD ARG A 37 0.071 -8.032 -4.298 1.00 1.49 C ATOM 525 NE ARG A 37 -0.769 -8.485 -3.179 1.00 1.28 N ATOM 526 CZ ARG A 37 -1.462 -9.636 -3.121 1.00 1.31 C ATOM 527 NH1 ARG A 37 -1.452 -10.517 -4.133 1.00 1.88 N ATOM 528 NH2 ARG A 37 -2.184 -9.905 -2.026 1.00 1.49 N ATOM 0 H ARG A 37 4.131 -8.328 -3.880 1.00 1.15 H new ATOM 0 HA ARG A 37 2.254 -8.409 -6.163 1.00 1.36 H new ATOM 0 HB2 ARG A 37 2.927 -6.013 -4.400 1.00 1.60 H new ATOM 0 HB3 ARG A 37 1.679 -6.098 -5.627 1.00 1.60 H new ATOM 0 HG2 ARG A 37 1.696 -7.577 -2.968 1.00 1.82 H new ATOM 0 HG3 ARG A 37 0.703 -6.194 -3.382 1.00 1.82 H new ATOM 0 HD2 ARG A 37 -0.543 -7.519 -5.039 1.00 1.49 H new ATOM 0 HD3 ARG A 37 0.520 -8.891 -4.796 1.00 1.49 H new ATOM 0 HE ARG A 37 -0.832 -7.867 -2.370 1.00 1.28 H new ATOM 0 HH11 ARG A 37 -0.909 -10.321 -4.974 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -1.987 -11.382 -4.061 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -2.203 -9.241 -1.252 1.00 1.49 H new ATOM 0 HH22 ARG A 37 -2.715 -10.774 -1.966 1.00 1.49 H new ATOM 542 N ASP A 38 3.646 -6.952 -7.713 1.00 1.33 N ATOM 543 CA ASP A 38 4.507 -6.287 -8.704 1.00 1.34 C ATOM 544 C ASP A 38 4.962 -4.896 -8.225 1.00 1.37 C ATOM 545 O ASP A 38 4.156 -4.094 -7.751 1.00 1.50 O ATOM 546 CB ASP A 38 3.769 -6.210 -10.052 1.00 1.39 C ATOM 547 CG ASP A 38 4.526 -5.384 -11.097 1.00 2.77 C ATOM 548 OD1 ASP A 38 5.359 -5.966 -11.828 1.00 3.43 O ATOM 549 OD2 ASP A 38 4.310 -4.157 -11.205 1.00 4.12 O ATOM 0 H ASP A 38 2.706 -7.137 -8.063 1.00 1.33 H new ATOM 0 HA ASP A 38 5.414 -6.878 -8.832 1.00 1.34 H new ATOM 0 HB2 ASP A 38 3.615 -7.219 -10.435 1.00 1.39 H new ATOM 0 HB3 ASP A 38 2.782 -5.774 -9.896 1.00 1.39 H new ATOM 554 N ALA A 39 6.258 -4.606 -8.357 1.00 1.38 N ATOM 555 CA ALA A 39 6.896 -3.427 -7.772 1.00 1.45 C ATOM 556 C ALA A 39 6.486 -2.080 -8.404 1.00 1.41 C ATOM 557 O ALA A 39 6.693 -1.034 -7.785 1.00 1.65 O ATOM 558 CB ALA A 39 8.412 -3.639 -7.854 1.00 1.59 C ATOM 0 H ALA A 39 6.904 -5.195 -8.883 1.00 1.38 H new ATOM 0 HA ALA A 39 6.553 -3.341 -6.741 1.00 1.45 H new ATOM 0 HB1 ALA A 39 8.924 -2.777 -7.426 1.00 1.59 H new ATOM 0 HB2 ALA A 39 8.685 -4.536 -7.298 1.00 1.59 H new ATOM 0 HB3 ALA A 39 8.707 -3.755 -8.897 1.00 1.59 H new ATOM 564 N ASN A 40 5.905 -2.075 -9.611 1.00 1.26 N ATOM 565 CA ASN A 40 5.350 -0.867 -10.226 1.00 1.25 C ATOM 566 C ASN A 40 3.848 -0.732 -9.911 1.00 1.06 C ATOM 567 O ASN A 40 3.400 0.325 -9.465 1.00 1.05 O ATOM 568 CB ASN A 40 5.657 -0.885 -11.731 1.00 1.39 C ATOM 569 CG ASN A 40 5.721 0.509 -12.320 1.00 2.65 C ATOM 570 OD1 ASN A 40 4.767 1.032 -12.881 1.00 4.12 O ATOM 571 ND2 ASN A 40 6.849 1.164 -12.214 1.00 2.98 N ATOM 0 H ASN A 40 5.808 -2.911 -10.187 1.00 1.26 H new ATOM 0 HA ASN A 40 5.820 0.021 -9.804 1.00 1.25 H new ATOM 0 HB2 ASN A 40 6.607 -1.393 -11.900 1.00 1.39 H new ATOM 0 HB3 ASN A 40 4.891 -1.461 -12.249 1.00 1.39 H new ATOM 0 HD21 ASN A 40 6.930 2.106 -12.598 1.00 2.98 H new ATOM 0 HD22 ASN A 40 7.647 0.733 -11.747 1.00 2.98 H new ATOM 578 N TRP A 41 3.093 -1.834 -10.037 1.00 0.97 N ATOM 579 CA TRP A 41 1.676 -1.926 -9.657 1.00 0.77 C ATOM 580 C TRP A 41 1.445 -1.503 -8.202 1.00 0.70 C ATOM 581 O TRP A 41 0.533 -0.728 -7.922 1.00 0.65 O ATOM 582 CB TRP A 41 1.195 -3.372 -9.855 1.00 0.66 C ATOM 583 CG TRP A 41 -0.238 -3.629 -9.489 1.00 0.52 C ATOM 584 CD1 TRP A 41 -1.287 -3.616 -10.341 1.00 0.54 C ATOM 585 CD2 TRP A 41 -0.805 -3.894 -8.168 1.00 0.56 C ATOM 586 NE1 TRP A 41 -2.458 -3.855 -9.644 1.00 0.62 N ATOM 587 CE2 TRP A 41 -2.225 -3.946 -8.287 1.00 0.61 C ATOM 588 CE3 TRP A 41 -0.262 -4.061 -6.872 1.00 0.70 C ATOM 589 CZ2 TRP A 41 -3.060 -4.063 -7.166 1.00 0.77 C ATOM 590 CZ3 TRP A 41 -1.091 -4.164 -5.740 1.00 0.84 C ATOM 591 CH2 TRP A 41 -2.490 -4.132 -5.884 1.00 0.87 C ATOM 0 H TRP A 41 3.461 -2.707 -10.415 1.00 0.97 H new ATOM 0 HA TRP A 41 1.110 -1.245 -10.292 1.00 0.77 H new ATOM 0 HB2 TRP A 41 1.340 -3.645 -10.900 1.00 0.66 H new ATOM 0 HB3 TRP A 41 1.828 -4.032 -9.262 1.00 0.66 H new ATOM 0 HD1 TRP A 41 -1.221 -3.445 -11.405 1.00 0.54 H new ATOM 0 HE1 TRP A 41 -3.376 -3.952 -10.078 1.00 0.62 H new ATOM 0 HE3 TRP A 41 0.810 -4.110 -6.749 1.00 0.70 H new ATOM 0 HZ2 TRP A 41 -4.133 -4.100 -7.288 1.00 0.77 H new ATOM 0 HZ3 TRP A 41 -0.652 -4.268 -4.759 1.00 0.84 H new ATOM 0 HH2 TRP A 41 -3.125 -4.160 -5.011 1.00 0.87 H new ATOM 602 N LEU A 42 2.298 -1.958 -7.274 1.00 0.76 N ATOM 603 CA LEU A 42 2.169 -1.665 -5.845 1.00 0.73 C ATOM 604 C LEU A 42 2.348 -0.170 -5.558 1.00 0.72 C ATOM 605 O LEU A 42 1.592 0.395 -4.769 1.00 0.70 O ATOM 606 CB LEU A 42 3.186 -2.531 -5.076 1.00 0.83 C ATOM 607 CG LEU A 42 3.139 -2.370 -3.544 1.00 1.20 C ATOM 608 CD1 LEU A 42 1.800 -2.814 -2.951 1.00 1.78 C ATOM 609 CD2 LEU A 42 4.253 -3.193 -2.898 1.00 1.78 C ATOM 0 H LEU A 42 3.102 -2.544 -7.498 1.00 0.76 H new ATOM 0 HA LEU A 42 1.163 -1.913 -5.508 1.00 0.73 H new ATOM 0 HB2 LEU A 42 3.012 -3.578 -5.323 1.00 0.83 H new ATOM 0 HB3 LEU A 42 4.189 -2.284 -5.423 1.00 0.83 H new ATOM 0 HG LEU A 42 3.271 -1.308 -3.335 1.00 1.20 H new ATOM 0 HD11 LEU A 42 1.819 -2.680 -1.869 1.00 1.78 H new ATOM 0 HD12 LEU A 42 0.996 -2.213 -3.377 1.00 1.78 H new ATOM 0 HD13 LEU A 42 1.630 -3.865 -3.184 1.00 1.78 H new ATOM 0 HD21 LEU A 42 4.213 -3.074 -1.815 1.00 1.78 H new ATOM 0 HD22 LEU A 42 4.122 -4.245 -3.152 1.00 1.78 H new ATOM 0 HD23 LEU A 42 5.220 -2.848 -3.265 1.00 1.78 H new ATOM 621 N VAL A 43 3.312 0.473 -6.222 1.00 0.78 N ATOM 622 CA VAL A 43 3.601 1.911 -6.090 1.00 0.84 C ATOM 623 C VAL A 43 2.517 2.774 -6.744 1.00 0.82 C ATOM 624 O VAL A 43 2.170 3.829 -6.210 1.00 0.91 O ATOM 625 CB VAL A 43 5.023 2.207 -6.615 1.00 0.96 C ATOM 626 CG1 VAL A 43 5.346 3.695 -6.770 1.00 1.54 C ATOM 627 CG2 VAL A 43 6.049 1.614 -5.641 1.00 1.23 C ATOM 0 H VAL A 43 3.930 0.001 -6.882 1.00 0.78 H new ATOM 0 HA VAL A 43 3.580 2.184 -5.035 1.00 0.84 H new ATOM 0 HB VAL A 43 5.069 1.759 -7.608 1.00 0.96 H new ATOM 0 HG11 VAL A 43 6.364 3.809 -7.143 1.00 1.54 H new ATOM 0 HG12 VAL A 43 4.648 4.147 -7.475 1.00 1.54 H new ATOM 0 HG13 VAL A 43 5.257 4.189 -5.803 1.00 1.54 H new ATOM 0 HG21 VAL A 43 7.056 1.819 -6.004 1.00 1.23 H new ATOM 0 HG22 VAL A 43 5.920 2.065 -4.657 1.00 1.23 H new ATOM 0 HG23 VAL A 43 5.901 0.536 -5.568 1.00 1.23 H new ATOM 637 N ARG A 44 1.902 2.314 -7.841 1.00 0.79 N ATOM 638 CA ARG A 44 0.669 2.912 -8.389 1.00 0.83 C ATOM 639 C ARG A 44 -0.493 2.790 -7.396 1.00 0.76 C ATOM 640 O ARG A 44 -1.109 3.795 -7.044 1.00 0.91 O ATOM 641 CB ARG A 44 0.347 2.289 -9.759 1.00 0.94 C ATOM 642 CG ARG A 44 -0.910 2.871 -10.430 1.00 2.27 C ATOM 643 CD ARG A 44 -0.804 4.373 -10.723 1.00 3.30 C ATOM 644 NE ARG A 44 -2.012 4.868 -11.400 1.00 4.30 N ATOM 645 CZ ARG A 44 -2.204 6.131 -11.820 1.00 5.16 C ATOM 646 NH1 ARG A 44 -1.267 7.078 -11.652 1.00 5.56 N ATOM 647 NH2 ARG A 44 -3.355 6.459 -12.419 1.00 6.21 N ATOM 0 H ARG A 44 2.243 1.516 -8.377 1.00 0.79 H new ATOM 0 HA ARG A 44 0.827 3.979 -8.543 1.00 0.83 H new ATOM 0 HB2 ARG A 44 1.200 2.433 -10.422 1.00 0.94 H new ATOM 0 HB3 ARG A 44 0.216 1.214 -9.636 1.00 0.94 H new ATOM 0 HG2 ARG A 44 -1.094 2.338 -11.363 1.00 2.27 H new ATOM 0 HG3 ARG A 44 -1.772 2.694 -9.786 1.00 2.27 H new ATOM 0 HD2 ARG A 44 -0.656 4.919 -9.791 1.00 3.30 H new ATOM 0 HD3 ARG A 44 0.070 4.564 -11.346 1.00 3.30 H new ATOM 0 HE ARG A 44 -2.765 4.200 -11.564 1.00 4.30 H new ATOM 0 HH11 ARG A 44 -0.384 6.847 -11.196 1.00 5.56 H new ATOM 0 HH12 ARG A 44 -1.438 8.029 -11.980 1.00 5.56 H new ATOM 0 HH21 ARG A 44 -4.079 5.753 -12.554 1.00 6.21 H new ATOM 0 HH22 ARG A 44 -3.508 7.415 -12.740 1.00 6.21 H new ATOM 661 N TRP A 45 -0.759 1.578 -6.904 1.00 0.63 N ATOM 662 CA TRP A 45 -1.868 1.265 -5.997 1.00 0.63 C ATOM 663 C TRP A 45 -1.806 2.049 -4.684 1.00 0.68 C ATOM 664 O TRP A 45 -2.784 2.693 -4.316 1.00 0.84 O ATOM 665 CB TRP A 45 -1.885 -0.250 -5.729 1.00 0.56 C ATOM 666 CG TRP A 45 -2.838 -0.713 -4.666 1.00 0.61 C ATOM 667 CD1 TRP A 45 -2.485 -1.356 -3.530 1.00 0.82 C ATOM 668 CD2 TRP A 45 -4.295 -0.571 -4.606 1.00 0.66 C ATOM 669 NE1 TRP A 45 -3.611 -1.631 -2.780 1.00 0.94 N ATOM 670 CE2 TRP A 45 -4.756 -1.162 -3.391 1.00 0.83 C ATOM 671 CE3 TRP A 45 -5.273 0.003 -5.448 1.00 0.78 C ATOM 672 CZ2 TRP A 45 -6.110 -1.182 -3.028 1.00 0.99 C ATOM 673 CZ3 TRP A 45 -6.639 -0.011 -5.095 1.00 0.96 C ATOM 674 CH2 TRP A 45 -7.057 -0.602 -3.887 1.00 1.02 C ATOM 0 H TRP A 45 -0.192 0.762 -7.132 1.00 0.63 H new ATOM 0 HA TRP A 45 -2.794 1.570 -6.484 1.00 0.63 H new ATOM 0 HB2 TRP A 45 -2.131 -0.762 -6.659 1.00 0.56 H new ATOM 0 HB3 TRP A 45 -0.879 -0.562 -5.450 1.00 0.56 H new ATOM 0 HD1 TRP A 45 -1.474 -1.615 -3.251 1.00 0.82 H new ATOM 0 HE1 TRP A 45 -3.598 -2.120 -1.885 1.00 0.94 H new ATOM 0 HE3 TRP A 45 -4.970 0.461 -6.378 1.00 0.78 H new ATOM 0 HZ2 TRP A 45 -6.421 -1.638 -2.099 1.00 0.99 H new ATOM 0 HZ3 TRP A 45 -7.369 0.434 -5.755 1.00 0.96 H new ATOM 0 HH2 TRP A 45 -8.104 -0.609 -3.622 1.00 1.02 H new ATOM 685 N LEU A 46 -0.665 2.035 -3.983 1.00 0.65 N ATOM 686 CA LEU A 46 -0.566 2.645 -2.652 1.00 0.82 C ATOM 687 C LEU A 46 -0.489 4.188 -2.675 1.00 0.95 C ATOM 688 O LEU A 46 -0.790 4.822 -1.659 1.00 1.16 O ATOM 689 CB LEU A 46 0.460 1.879 -1.782 1.00 1.00 C ATOM 690 CG LEU A 46 1.797 2.547 -1.428 1.00 1.00 C ATOM 691 CD1 LEU A 46 2.555 1.661 -0.434 1.00 2.17 C ATOM 692 CD2 LEU A 46 2.695 2.674 -2.645 1.00 1.69 C ATOM 0 H LEU A 46 0.200 1.609 -4.315 1.00 0.65 H new ATOM 0 HA LEU A 46 -1.511 2.516 -2.125 1.00 0.82 H new ATOM 0 HB2 LEU A 46 -0.034 1.620 -0.846 1.00 1.00 H new ATOM 0 HB3 LEU A 46 0.687 0.943 -2.292 1.00 1.00 H new ATOM 0 HG LEU A 46 1.568 3.532 -1.021 1.00 1.00 H new ATOM 0 HD11 LEU A 46 3.505 2.131 -0.179 1.00 2.17 H new ATOM 0 HD12 LEU A 46 1.959 1.535 0.470 1.00 2.17 H new ATOM 0 HD13 LEU A 46 2.741 0.686 -0.884 1.00 2.17 H new ATOM 0 HD21 LEU A 46 3.632 3.151 -2.358 1.00 1.69 H new ATOM 0 HD22 LEU A 46 2.901 1.683 -3.050 1.00 1.69 H new ATOM 0 HD23 LEU A 46 2.197 3.279 -3.403 1.00 1.69 H new ATOM 704 N LYS A 47 -0.182 4.799 -3.834 1.00 0.90 N ATOM 705 CA LYS A 47 -0.366 6.238 -4.069 1.00 1.08 C ATOM 706 C LYS A 47 -1.841 6.600 -4.250 1.00 1.28 C ATOM 707 O LYS A 47 -2.333 7.462 -3.524 1.00 1.82 O ATOM 708 CB LYS A 47 0.459 6.711 -5.286 1.00 1.16 C ATOM 709 CG LYS A 47 0.381 8.246 -5.418 1.00 1.88 C ATOM 710 CD LYS A 47 1.146 8.835 -6.609 1.00 2.35 C ATOM 711 CE LYS A 47 0.527 8.429 -7.955 1.00 3.32 C ATOM 712 NZ LYS A 47 1.127 9.194 -9.070 1.00 3.86 N ATOM 0 H LYS A 47 0.203 4.302 -4.637 1.00 0.90 H new ATOM 0 HA LYS A 47 -0.003 6.757 -3.182 1.00 1.08 H new ATOM 0 HB2 LYS A 47 1.498 6.401 -5.173 1.00 1.16 H new ATOM 0 HB3 LYS A 47 0.083 6.241 -6.195 1.00 1.16 H new ATOM 0 HG2 LYS A 47 -0.667 8.536 -5.500 1.00 1.88 H new ATOM 0 HG3 LYS A 47 0.765 8.694 -4.502 1.00 1.88 H new ATOM 0 HD2 LYS A 47 1.157 9.922 -6.530 1.00 2.35 H new ATOM 0 HD3 LYS A 47 2.183 8.502 -6.573 1.00 2.35 H new ATOM 0 HE2 LYS A 47 0.676 7.362 -8.120 1.00 3.32 H new ATOM 0 HE3 LYS A 47 -0.549 8.600 -7.930 1.00 3.32 H new ATOM 0 HZ1 LYS A 47 0.691 8.900 -9.967 1.00 3.86 H new ATOM 0 HZ2 LYS A 47 0.963 10.210 -8.922 1.00 3.86 H new ATOM 0 HZ3 LYS A 47 2.150 9.010 -9.106 1.00 3.86 H new ATOM 726 N VAL A 48 -2.522 5.980 -5.218 1.00 0.94 N ATOM 727 CA VAL A 48 -3.793 6.482 -5.782 1.00 0.98 C ATOM 728 C VAL A 48 -4.844 5.354 -5.952 1.00 0.76 C ATOM 729 O VAL A 48 -5.270 5.025 -7.066 1.00 0.70 O ATOM 730 CB VAL A 48 -3.466 7.338 -7.033 1.00 1.18 C ATOM 731 CG1 VAL A 48 -2.880 6.580 -8.233 1.00 1.36 C ATOM 732 CG2 VAL A 48 -4.645 8.203 -7.468 1.00 2.06 C ATOM 0 H VAL A 48 -2.209 5.106 -5.641 1.00 0.94 H new ATOM 0 HA VAL A 48 -4.303 7.150 -5.088 1.00 0.98 H new ATOM 0 HB VAL A 48 -2.658 7.981 -6.684 1.00 1.18 H new ATOM 0 HG11 VAL A 48 -2.691 7.279 -9.048 1.00 1.36 H new ATOM 0 HG12 VAL A 48 -1.945 6.103 -7.940 1.00 1.36 H new ATOM 0 HG13 VAL A 48 -3.587 5.820 -8.564 1.00 1.36 H new ATOM 0 HG21 VAL A 48 -4.366 8.783 -8.347 1.00 2.06 H new ATOM 0 HG22 VAL A 48 -5.495 7.565 -7.709 1.00 2.06 H new ATOM 0 HG23 VAL A 48 -4.918 8.880 -6.658 1.00 2.06 H new ATOM 742 N PRO A 49 -5.293 4.729 -4.840 1.00 0.74 N ATOM 743 CA PRO A 49 -6.242 3.606 -4.856 1.00 0.70 C ATOM 744 C PRO A 49 -7.663 4.007 -5.293 1.00 0.80 C ATOM 745 O PRO A 49 -8.513 3.148 -5.531 1.00 1.22 O ATOM 746 CB PRO A 49 -6.234 3.064 -3.422 1.00 0.73 C ATOM 747 CG PRO A 49 -5.957 4.312 -2.589 1.00 0.91 C ATOM 748 CD PRO A 49 -4.958 5.069 -3.460 1.00 0.85 C ATOM 0 HA PRO A 49 -5.940 2.861 -5.592 1.00 0.70 H new ATOM 0 HB2 PRO A 49 -7.187 2.605 -3.158 1.00 0.73 H new ATOM 0 HB3 PRO A 49 -5.465 2.305 -3.281 1.00 0.73 H new ATOM 0 HG2 PRO A 49 -6.863 4.892 -2.411 1.00 0.91 H new ATOM 0 HG3 PRO A 49 -5.540 4.065 -1.613 1.00 0.91 H new ATOM 0 HD2 PRO A 49 -5.031 6.144 -3.294 1.00 0.85 H new ATOM 0 HD3 PRO A 49 -3.934 4.778 -3.223 1.00 0.85 H new ATOM 756 N ASP A 50 -7.943 5.305 -5.396 1.00 0.66 N ATOM 757 CA ASP A 50 -9.173 5.875 -5.941 1.00 0.85 C ATOM 758 C ASP A 50 -9.167 5.912 -7.474 1.00 0.80 C ATOM 759 O ASP A 50 -10.154 5.504 -8.092 1.00 0.87 O ATOM 760 CB ASP A 50 -9.394 7.268 -5.324 1.00 1.12 C ATOM 761 CG ASP A 50 -8.277 8.288 -5.591 1.00 3.10 C ATOM 762 OD1 ASP A 50 -7.086 7.918 -5.531 1.00 4.52 O ATOM 763 OD2 ASP A 50 -8.603 9.479 -5.809 1.00 4.18 O ATOM 0 H ASP A 50 -7.287 6.022 -5.087 1.00 0.66 H new ATOM 0 HA ASP A 50 -10.011 5.232 -5.671 1.00 0.85 H new ATOM 0 HB2 ASP A 50 -10.332 7.672 -5.706 1.00 1.12 H new ATOM 0 HB3 ASP A 50 -9.511 7.156 -4.246 1.00 1.12 H new ATOM 768 N GLN A 51 -8.050 6.321 -8.093 1.00 0.76 N ATOM 769 CA GLN A 51 -7.906 6.345 -9.546 1.00 0.77 C ATOM 770 C GLN A 51 -7.703 4.944 -10.125 1.00 0.71 C ATOM 771 O GLN A 51 -8.277 4.658 -11.167 1.00 0.76 O ATOM 772 CB GLN A 51 -6.752 7.274 -9.942 1.00 0.87 C ATOM 773 CG GLN A 51 -6.626 7.485 -11.454 1.00 1.30 C ATOM 774 CD GLN A 51 -7.838 8.146 -12.107 1.00 2.17 C ATOM 775 OE1 GLN A 51 -8.582 8.900 -11.493 1.00 3.00 O ATOM 776 NE2 GLN A 51 -8.058 7.948 -13.386 1.00 3.31 N ATOM 0 H GLN A 51 -7.222 6.644 -7.594 1.00 0.76 H new ATOM 0 HA GLN A 51 -8.834 6.730 -9.969 1.00 0.77 H new ATOM 0 HB2 GLN A 51 -6.893 8.241 -9.459 1.00 0.87 H new ATOM 0 HB3 GLN A 51 -5.817 6.861 -9.562 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -5.745 8.097 -11.650 1.00 1.30 H new ATOM 0 HG3 GLN A 51 -6.455 6.519 -11.929 1.00 1.30 H new ATOM 0 HE21 GLN A 51 -7.451 7.324 -13.917 1.00 3.31 H new ATOM 0 HE22 GLN A 51 -8.836 8.418 -13.848 1.00 3.31 H new ATOM 785 N MET A 52 -6.954 4.044 -9.474 1.00 0.64 N ATOM 786 CA MET A 52 -6.796 2.667 -9.968 1.00 0.60 C ATOM 787 C MET A 52 -8.155 1.949 -10.082 1.00 0.61 C ATOM 788 O MET A 52 -8.428 1.289 -11.087 1.00 0.68 O ATOM 789 CB MET A 52 -5.863 1.904 -9.009 1.00 0.59 C ATOM 790 CG MET A 52 -5.552 0.469 -9.459 1.00 1.53 C ATOM 791 SD MET A 52 -4.146 0.307 -10.589 1.00 1.59 S ATOM 792 CE MET A 52 -2.854 -0.115 -9.393 1.00 1.23 C ATOM 0 H MET A 52 -6.450 4.241 -8.609 1.00 0.64 H new ATOM 0 HA MET A 52 -6.363 2.696 -10.968 1.00 0.60 H new ATOM 0 HB2 MET A 52 -4.928 2.455 -8.912 1.00 0.59 H new ATOM 0 HB3 MET A 52 -6.320 1.874 -8.020 1.00 0.59 H new ATOM 0 HG2 MET A 52 -5.360 -0.139 -8.575 1.00 1.53 H new ATOM 0 HG3 MET A 52 -6.437 0.057 -9.943 1.00 1.53 H new ATOM 0 HE1 MET A 52 -1.907 -0.253 -9.914 1.00 1.23 H new ATOM 0 HE2 MET A 52 -2.754 0.691 -8.666 1.00 1.23 H new ATOM 0 HE3 MET A 52 -3.123 -1.037 -8.877 1.00 1.23 H new ATOM 802 N LEU A 53 -9.033 2.102 -9.081 1.00 0.61 N ATOM 803 CA LEU A 53 -10.367 1.494 -9.094 1.00 0.67 C ATOM 804 C LEU A 53 -11.313 2.156 -10.124 1.00 0.72 C ATOM 805 O LEU A 53 -12.255 1.513 -10.589 1.00 0.84 O ATOM 806 CB LEU A 53 -10.918 1.468 -7.655 1.00 0.72 C ATOM 807 CG LEU A 53 -12.205 0.638 -7.465 1.00 1.49 C ATOM 808 CD1 LEU A 53 -12.087 -0.809 -7.960 1.00 2.25 C ATOM 809 CD2 LEU A 53 -12.560 0.576 -5.978 1.00 2.34 C ATOM 0 H LEU A 53 -8.838 2.649 -8.243 1.00 0.61 H new ATOM 0 HA LEU A 53 -10.293 0.463 -9.440 1.00 0.67 H new ATOM 0 HB2 LEU A 53 -10.147 1.072 -6.994 1.00 0.72 H new ATOM 0 HB3 LEU A 53 -11.114 2.492 -7.338 1.00 0.72 H new ATOM 0 HG LEU A 53 -12.970 1.140 -8.057 1.00 1.49 H new ATOM 0 HD11 LEU A 53 -13.030 -1.329 -7.793 1.00 2.25 H new ATOM 0 HD12 LEU A 53 -11.855 -0.811 -9.025 1.00 2.25 H new ATOM 0 HD13 LEU A 53 -11.292 -1.317 -7.414 1.00 2.25 H new ATOM 0 HD21 LEU A 53 -13.469 -0.010 -5.845 1.00 2.34 H new ATOM 0 HD22 LEU A 53 -11.743 0.109 -5.428 1.00 2.34 H new ATOM 0 HD23 LEU A 53 -12.721 1.586 -5.600 1.00 2.34 H new ATOM 821 N ALA A 54 -11.044 3.403 -10.530 1.00 0.72 N ATOM 822 CA ALA A 54 -11.727 4.087 -11.632 1.00 0.82 C ATOM 823 C ALA A 54 -11.207 3.662 -13.024 1.00 0.85 C ATOM 824 O ALA A 54 -11.987 3.366 -13.932 1.00 0.97 O ATOM 825 CB ALA A 54 -11.574 5.601 -11.424 1.00 0.92 C ATOM 0 H ALA A 54 -10.326 3.978 -10.089 1.00 0.72 H new ATOM 0 HA ALA A 54 -12.779 3.802 -11.616 1.00 0.82 H new ATOM 0 HB1 ALA A 54 -12.075 6.132 -12.233 1.00 0.92 H new ATOM 0 HB2 ALA A 54 -12.022 5.885 -10.472 1.00 0.92 H new ATOM 0 HB3 ALA A 54 -10.516 5.862 -11.419 1.00 0.92 H new ATOM 831 N GLU A 55 -9.882 3.600 -13.184 1.00 0.92 N ATOM 832 CA GLU A 55 -9.194 3.382 -14.465 1.00 1.17 C ATOM 833 C GLU A 55 -9.309 1.943 -14.983 1.00 1.31 C ATOM 834 O GLU A 55 -9.212 1.710 -16.194 1.00 1.59 O ATOM 835 CB GLU A 55 -7.728 3.863 -14.360 1.00 1.33 C ATOM 836 CG GLU A 55 -6.623 2.840 -14.042 1.00 1.57 C ATOM 837 CD GLU A 55 -5.279 3.560 -13.818 1.00 2.40 C ATOM 838 OE1 GLU A 55 -4.836 4.352 -14.688 1.00 2.94 O ATOM 839 OE2 GLU A 55 -4.609 3.365 -12.778 1.00 3.41 O ATOM 0 H GLU A 55 -9.236 3.703 -12.402 1.00 0.92 H new ATOM 0 HA GLU A 55 -9.702 3.983 -15.219 1.00 1.17 H new ATOM 0 HB2 GLU A 55 -7.471 4.340 -15.306 1.00 1.33 H new ATOM 0 HB3 GLU A 55 -7.690 4.636 -13.592 1.00 1.33 H new ATOM 0 HG2 GLU A 55 -6.891 2.269 -13.153 1.00 1.57 H new ATOM 0 HG3 GLU A 55 -6.530 2.128 -14.862 1.00 1.57 H new ATOM 846 N LYS A 56 -9.577 1.016 -14.048 1.00 1.32 N ATOM 847 CA LYS A 56 -9.606 -0.445 -14.184 1.00 1.53 C ATOM 848 C LYS A 56 -8.230 -0.997 -14.573 1.00 1.82 C ATOM 849 O LYS A 56 -7.668 -0.655 -15.609 1.00 3.09 O ATOM 850 CB LYS A 56 -10.755 -0.924 -15.103 1.00 1.71 C ATOM 851 CG LYS A 56 -12.116 -0.216 -14.921 1.00 2.28 C ATOM 852 CD LYS A 56 -12.697 -0.286 -13.500 1.00 3.34 C ATOM 853 CE LYS A 56 -13.963 0.576 -13.396 1.00 4.18 C ATOM 854 NZ LYS A 56 -14.487 0.604 -12.010 1.00 5.49 N ATOM 0 H LYS A 56 -9.798 1.298 -13.093 1.00 1.32 H new ATOM 0 HA LYS A 56 -9.833 -0.867 -13.205 1.00 1.53 H new ATOM 0 HB2 LYS A 56 -10.440 -0.799 -16.139 1.00 1.71 H new ATOM 0 HB3 LYS A 56 -10.900 -1.992 -14.941 1.00 1.71 H new ATOM 0 HG2 LYS A 56 -12.004 0.832 -15.201 1.00 2.28 H new ATOM 0 HG3 LYS A 56 -12.834 -0.656 -15.613 1.00 2.28 H new ATOM 0 HD2 LYS A 56 -12.932 -1.320 -13.247 1.00 3.34 H new ATOM 0 HD3 LYS A 56 -11.955 0.058 -12.780 1.00 3.34 H new ATOM 0 HE2 LYS A 56 -13.741 1.592 -13.723 1.00 4.18 H new ATOM 0 HE3 LYS A 56 -14.727 0.185 -14.068 1.00 4.18 H new ATOM 0 HZ1 LYS A 56 -15.258 1.299 -11.944 1.00 5.49 H new ATOM 0 HZ2 LYS A 56 -14.847 -0.338 -11.756 1.00 5.49 H new ATOM 0 HZ3 LYS A 56 -13.724 0.871 -11.356 1.00 5.49 H new ATOM 868 N ASP A 57 -7.669 -1.856 -13.731 1.00 1.19 N ATOM 869 CA ASP A 57 -6.391 -2.526 -13.945 1.00 1.40 C ATOM 870 C ASP A 57 -6.484 -3.861 -13.204 1.00 1.55 C ATOM 871 O ASP A 57 -6.934 -3.884 -12.050 1.00 1.48 O ATOM 872 CB ASP A 57 -5.206 -1.684 -13.436 1.00 1.57 C ATOM 873 CG ASP A 57 -3.867 -2.105 -14.062 1.00 2.05 C ATOM 874 OD1 ASP A 57 -3.702 -2.001 -15.301 1.00 3.15 O ATOM 875 OD2 ASP A 57 -2.947 -2.553 -13.342 1.00 2.11 O ATOM 0 H ASP A 57 -8.107 -2.115 -12.847 1.00 1.19 H new ATOM 0 HA ASP A 57 -6.206 -2.673 -15.009 1.00 1.40 H new ATOM 0 HB2 ASP A 57 -5.391 -0.633 -13.657 1.00 1.57 H new ATOM 0 HB3 ASP A 57 -5.140 -1.775 -12.352 1.00 1.57 H new ATOM 880 N PRO A 58 -6.108 -4.977 -13.834 1.00 1.85 N ATOM 881 CA PRO A 58 -6.160 -6.279 -13.186 1.00 2.43 C ATOM 882 C PRO A 58 -5.228 -6.374 -11.966 1.00 2.74 C ATOM 883 O PRO A 58 -4.459 -5.459 -11.652 1.00 4.55 O ATOM 884 CB PRO A 58 -5.882 -7.284 -14.299 1.00 2.82 C ATOM 885 CG PRO A 58 -5.089 -6.478 -15.322 1.00 2.40 C ATOM 886 CD PRO A 58 -5.727 -5.107 -15.231 1.00 1.81 C ATOM 0 HA PRO A 58 -7.131 -6.484 -12.736 1.00 2.43 H new ATOM 0 HB2 PRO A 58 -5.313 -8.139 -13.934 1.00 2.82 H new ATOM 0 HB3 PRO A 58 -6.806 -7.675 -14.726 1.00 2.82 H new ATOM 0 HG2 PRO A 58 -4.027 -6.448 -15.079 1.00 2.40 H new ATOM 0 HG3 PRO A 58 -5.174 -6.899 -16.324 1.00 2.40 H new ATOM 0 HD2 PRO A 58 -5.029 -4.324 -15.527 1.00 1.81 H new ATOM 0 HD3 PRO A 58 -6.593 -5.027 -15.888 1.00 1.81 H new ATOM 894 N LEU A 59 -5.347 -7.469 -11.221 1.00 1.62 N ATOM 895 CA LEU A 59 -5.033 -7.628 -9.813 1.00 1.25 C ATOM 896 C LEU A 59 -5.771 -6.679 -8.850 1.00 0.96 C ATOM 897 O LEU A 59 -6.133 -7.131 -7.770 1.00 0.92 O ATOM 898 CB LEU A 59 -3.511 -7.667 -9.658 1.00 1.41 C ATOM 899 CG LEU A 59 -3.001 -8.099 -8.279 1.00 1.36 C ATOM 900 CD1 LEU A 59 -3.570 -9.430 -7.784 1.00 1.53 C ATOM 901 CD2 LEU A 59 -1.495 -8.259 -8.435 1.00 1.99 C ATOM 0 H LEU A 59 -5.695 -8.338 -11.625 1.00 1.62 H new ATOM 0 HA LEU A 59 -5.441 -8.583 -9.481 1.00 1.25 H new ATOM 0 HB2 LEU A 59 -3.104 -8.347 -10.406 1.00 1.41 H new ATOM 0 HB3 LEU A 59 -3.115 -6.676 -9.879 1.00 1.41 H new ATOM 0 HG LEU A 59 -3.308 -7.352 -7.547 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -3.157 -9.660 -6.802 1.00 1.53 H new ATOM 0 HD12 LEU A 59 -4.655 -9.358 -7.713 1.00 1.53 H new ATOM 0 HD13 LEU A 59 -3.304 -10.222 -8.484 1.00 1.53 H new ATOM 0 HD21 LEU A 59 -1.061 -8.568 -7.484 1.00 1.99 H new ATOM 0 HD22 LEU A 59 -1.286 -9.015 -9.192 1.00 1.99 H new ATOM 0 HD23 LEU A 59 -1.058 -7.309 -8.741 1.00 1.99 H new ATOM 913 N ALA A 60 -6.076 -5.417 -9.179 1.00 0.92 N ATOM 914 CA ALA A 60 -6.759 -4.535 -8.222 1.00 0.88 C ATOM 915 C ALA A 60 -8.239 -4.878 -7.992 1.00 0.89 C ATOM 916 O ALA A 60 -8.657 -4.962 -6.837 1.00 0.87 O ATOM 917 CB ALA A 60 -6.586 -3.076 -8.629 1.00 0.98 C ATOM 0 H ALA A 60 -5.866 -4.990 -10.081 1.00 0.92 H new ATOM 0 HA ALA A 60 -6.276 -4.703 -7.259 1.00 0.88 H new ATOM 0 HB1 ALA A 60 -7.097 -2.435 -7.911 1.00 0.98 H new ATOM 0 HB2 ALA A 60 -5.525 -2.827 -8.647 1.00 0.98 H new ATOM 0 HB3 ALA A 60 -7.012 -2.922 -9.620 1.00 0.98 H new ATOM 923 N MET A 61 -9.026 -5.097 -9.054 1.00 0.93 N ATOM 924 CA MET A 61 -10.478 -5.357 -8.935 1.00 0.87 C ATOM 925 C MET A 61 -10.768 -6.690 -8.229 1.00 0.86 C ATOM 926 O MET A 61 -11.823 -6.850 -7.610 1.00 0.89 O ATOM 927 CB MET A 61 -11.176 -5.356 -10.313 1.00 0.92 C ATOM 928 CG MET A 61 -10.676 -4.389 -11.399 1.00 1.12 C ATOM 929 SD MET A 61 -11.039 -2.626 -11.186 1.00 1.95 S ATOM 930 CE MET A 61 -9.503 -2.078 -10.414 1.00 4.69 C ATOM 0 H MET A 61 -8.684 -5.100 -10.015 1.00 0.93 H new ATOM 0 HA MET A 61 -10.879 -4.543 -8.331 1.00 0.87 H new ATOM 0 HB2 MET A 61 -11.111 -6.367 -10.716 1.00 0.92 H new ATOM 0 HB3 MET A 61 -12.233 -5.147 -10.147 1.00 0.92 H new ATOM 0 HG2 MET A 61 -9.595 -4.502 -11.477 1.00 1.12 H new ATOM 0 HG3 MET A 61 -11.100 -4.706 -12.352 1.00 1.12 H new ATOM 0 HE1 MET A 61 -9.301 -1.045 -10.698 1.00 4.69 H new ATOM 0 HE2 MET A 61 -9.597 -2.145 -9.330 1.00 4.69 H new ATOM 0 HE3 MET A 61 -8.682 -2.713 -10.747 1.00 4.69 H new ATOM 940 N LEU A 62 -9.810 -7.618 -8.306 1.00 0.89 N ATOM 941 CA LEU A 62 -9.691 -8.840 -7.531 1.00 0.98 C ATOM 942 C LEU A 62 -9.275 -8.586 -6.077 1.00 0.98 C ATOM 943 O LEU A 62 -9.906 -9.114 -5.162 1.00 1.08 O ATOM 944 CB LEU A 62 -8.610 -9.667 -8.232 1.00 1.10 C ATOM 945 CG LEU A 62 -8.289 -11.021 -7.581 1.00 1.76 C ATOM 946 CD1 LEU A 62 -9.494 -11.957 -7.553 1.00 2.20 C ATOM 947 CD2 LEU A 62 -7.171 -11.708 -8.352 1.00 2.75 C ATOM 0 H LEU A 62 -9.040 -7.519 -8.967 1.00 0.89 H new ATOM 0 HA LEU A 62 -10.657 -9.344 -7.484 1.00 0.98 H new ATOM 0 HB2 LEU A 62 -8.922 -9.843 -9.261 1.00 1.10 H new ATOM 0 HB3 LEU A 62 -7.695 -9.077 -8.273 1.00 1.10 H new ATOM 0 HG LEU A 62 -7.991 -10.814 -6.553 1.00 1.76 H new ATOM 0 HD11 LEU A 62 -9.212 -12.899 -7.083 1.00 2.20 H new ATOM 0 HD12 LEU A 62 -10.301 -11.495 -6.984 1.00 2.20 H new ATOM 0 HD13 LEU A 62 -9.831 -12.147 -8.572 1.00 2.20 H new ATOM 0 HD21 LEU A 62 -6.946 -12.668 -7.888 1.00 2.75 H new ATOM 0 HD22 LEU A 62 -7.485 -11.868 -9.383 1.00 2.75 H new ATOM 0 HD23 LEU A 62 -6.280 -11.080 -8.338 1.00 2.75 H new ATOM 959 N LEU A 63 -8.187 -7.834 -5.852 1.00 0.97 N ATOM 960 CA LEU A 63 -7.498 -7.805 -4.557 1.00 1.11 C ATOM 961 C LEU A 63 -8.324 -7.077 -3.507 1.00 1.13 C ATOM 962 O LEU A 63 -8.377 -7.503 -2.354 1.00 1.28 O ATOM 963 CB LEU A 63 -6.105 -7.198 -4.770 1.00 1.22 C ATOM 964 CG LEU A 63 -5.221 -7.021 -3.525 1.00 1.28 C ATOM 965 CD1 LEU A 63 -3.770 -7.034 -3.999 1.00 2.66 C ATOM 966 CD2 LEU A 63 -5.447 -5.687 -2.802 1.00 1.82 C ATOM 0 H LEU A 63 -7.764 -7.233 -6.559 1.00 0.97 H new ATOM 0 HA LEU A 63 -7.374 -8.815 -4.165 1.00 1.11 H new ATOM 0 HB2 LEU A 63 -5.567 -7.826 -5.480 1.00 1.22 H new ATOM 0 HB3 LEU A 63 -6.229 -6.222 -5.238 1.00 1.22 H new ATOM 0 HG LEU A 63 -5.466 -7.822 -2.828 1.00 1.28 H new ATOM 0 HD11 LEU A 63 -3.107 -6.911 -3.143 1.00 2.66 H new ATOM 0 HD12 LEU A 63 -3.556 -7.983 -4.490 1.00 2.66 H new ATOM 0 HD13 LEU A 63 -3.610 -6.217 -4.703 1.00 2.66 H new ATOM 0 HD21 LEU A 63 -4.791 -5.628 -1.933 1.00 1.82 H new ATOM 0 HD22 LEU A 63 -5.225 -4.863 -3.480 1.00 1.82 H new ATOM 0 HD23 LEU A 63 -6.486 -5.620 -2.478 1.00 1.82 H new ATOM 978 N PHE A 64 -9.011 -6.008 -3.908 1.00 1.00 N ATOM 979 CA PHE A 64 -9.818 -5.242 -2.942 1.00 1.02 C ATOM 980 C PHE A 64 -11.054 -6.041 -2.491 1.00 1.11 C ATOM 981 O PHE A 64 -11.426 -6.015 -1.316 1.00 1.23 O ATOM 982 CB PHE A 64 -10.124 -3.829 -3.460 1.00 0.90 C ATOM 983 CG PHE A 64 -11.477 -3.659 -4.118 1.00 0.98 C ATOM 984 CD1 PHE A 64 -11.681 -4.092 -5.437 1.00 2.37 C ATOM 985 CD2 PHE A 64 -12.539 -3.078 -3.399 1.00 1.47 C ATOM 986 CE1 PHE A 64 -12.936 -3.936 -6.047 1.00 2.51 C ATOM 987 CE2 PHE A 64 -13.796 -2.928 -4.006 1.00 1.48 C ATOM 988 CZ PHE A 64 -13.994 -3.358 -5.328 1.00 1.27 C ATOM 0 H PHE A 64 -9.031 -5.655 -4.865 1.00 1.00 H new ATOM 0 HA PHE A 64 -9.230 -5.088 -2.037 1.00 1.02 H new ATOM 0 HB2 PHE A 64 -10.054 -3.131 -2.626 1.00 0.90 H new ATOM 0 HB3 PHE A 64 -9.352 -3.548 -4.176 1.00 0.90 H new ATOM 0 HD1 PHE A 64 -10.869 -4.547 -5.985 1.00 2.37 H new ATOM 0 HD2 PHE A 64 -12.387 -2.748 -2.382 1.00 1.47 H new ATOM 0 HE1 PHE A 64 -13.087 -4.260 -7.066 1.00 2.51 H new ATOM 0 HE2 PHE A 64 -14.611 -2.482 -3.456 1.00 1.48 H new ATOM 0 HZ PHE A 64 -14.962 -3.244 -5.793 1.00 1.27 H new ATOM 998 N GLU A 65 -11.627 -6.870 -3.377 1.00 1.14 N ATOM 999 CA GLU A 65 -12.678 -7.830 -3.001 1.00 1.35 C ATOM 1000 C GLU A 65 -12.259 -8.890 -1.969 1.00 1.43 C ATOM 1001 O GLU A 65 -13.146 -9.518 -1.382 1.00 1.63 O ATOM 1002 CB GLU A 65 -13.263 -8.537 -4.230 1.00 1.58 C ATOM 1003 CG GLU A 65 -14.142 -7.613 -5.073 1.00 1.38 C ATOM 1004 CD GLU A 65 -14.933 -8.380 -6.136 1.00 1.86 C ATOM 1005 OE1 GLU A 65 -14.664 -9.570 -6.423 1.00 2.95 O ATOM 1006 OE2 GLU A 65 -15.872 -7.786 -6.715 1.00 2.31 O ATOM 0 H GLU A 65 -11.378 -6.895 -4.366 1.00 1.14 H new ATOM 0 HA GLU A 65 -13.433 -7.208 -2.520 1.00 1.35 H new ATOM 0 HB2 GLU A 65 -12.450 -8.921 -4.846 1.00 1.58 H new ATOM 0 HB3 GLU A 65 -13.850 -9.396 -3.906 1.00 1.58 H new ATOM 0 HG2 GLU A 65 -14.834 -7.079 -4.422 1.00 1.38 H new ATOM 0 HG3 GLU A 65 -13.517 -6.863 -5.558 1.00 1.38 H new ATOM 1013 N GLN A 66 -10.956 -9.089 -1.719 1.00 1.43 N ATOM 1014 CA GLN A 66 -10.457 -10.038 -0.712 1.00 1.59 C ATOM 1015 C GLN A 66 -10.441 -9.484 0.722 1.00 1.35 C ATOM 1016 O GLN A 66 -10.178 -10.236 1.661 1.00 1.75 O ATOM 1017 CB GLN A 66 -9.048 -10.544 -1.073 1.00 2.01 C ATOM 1018 CG GLN A 66 -8.854 -11.054 -2.504 1.00 2.71 C ATOM 1019 CD GLN A 66 -9.947 -12.003 -2.978 1.00 2.62 C ATOM 1020 OE1 GLN A 66 -10.216 -13.035 -2.374 1.00 2.78 O ATOM 1021 NE2 GLN A 66 -10.626 -11.667 -4.052 1.00 3.64 N ATOM 0 H GLN A 66 -10.214 -8.593 -2.213 1.00 1.43 H new ATOM 0 HA GLN A 66 -11.170 -10.862 -0.729 1.00 1.59 H new ATOM 0 HB2 GLN A 66 -8.339 -9.734 -0.900 1.00 2.01 H new ATOM 0 HB3 GLN A 66 -8.787 -11.348 -0.385 1.00 2.01 H new ATOM 0 HG2 GLN A 66 -8.810 -10.200 -3.180 1.00 2.71 H new ATOM 0 HG3 GLN A 66 -7.892 -11.562 -2.570 1.00 2.71 H new ATOM 0 HE21 GLN A 66 -10.398 -10.807 -4.551 1.00 3.64 H new ATOM 0 HE22 GLN A 66 -11.381 -12.266 -4.386 1.00 3.64 H new ATOM 1030 N TYR A 67 -10.717 -8.190 0.890 1.00 0.91 N ATOM 1031 CA TYR A 67 -10.742 -7.481 2.174 1.00 0.96 C ATOM 1032 C TYR A 67 -12.139 -6.920 2.483 1.00 1.02 C ATOM 1033 O TYR A 67 -12.296 -5.760 2.872 1.00 1.44 O ATOM 1034 CB TYR A 67 -9.648 -6.410 2.170 1.00 1.04 C ATOM 1035 CG TYR A 67 -8.239 -6.967 2.136 1.00 1.23 C ATOM 1036 CD1 TYR A 67 -7.704 -7.541 3.302 1.00 2.40 C ATOM 1037 CD2 TYR A 67 -7.461 -6.901 0.962 1.00 2.22 C ATOM 1038 CE1 TYR A 67 -6.387 -8.030 3.307 1.00 2.60 C ATOM 1039 CE2 TYR A 67 -6.126 -7.352 0.975 1.00 2.47 C ATOM 1040 CZ TYR A 67 -5.583 -7.908 2.152 1.00 1.93 C ATOM 1041 OH TYR A 67 -4.292 -8.329 2.184 1.00 2.36 O ATOM 0 H TYR A 67 -10.939 -7.580 0.103 1.00 0.91 H new ATOM 0 HA TYR A 67 -10.529 -8.178 2.985 1.00 0.96 H new ATOM 0 HB2 TYR A 67 -9.792 -5.762 1.306 1.00 1.04 H new ATOM 0 HB3 TYR A 67 -9.760 -5.788 3.058 1.00 1.04 H new ATOM 0 HD1 TYR A 67 -8.307 -7.606 4.196 1.00 2.40 H new ATOM 0 HD2 TYR A 67 -7.888 -6.505 0.053 1.00 2.22 H new ATOM 0 HE1 TYR A 67 -5.989 -8.499 4.194 1.00 2.60 H new ATOM 0 HE2 TYR A 67 -5.519 -7.272 0.085 1.00 2.47 H new ATOM 0 HH TYR A 67 -3.811 -7.967 1.411 1.00 2.36 H new ATOM 1051 N ASN A 68 -13.174 -7.735 2.248 1.00 1.07 N ATOM 1052 CA ASN A 68 -14.588 -7.349 2.305 1.00 1.32 C ATOM 1053 C ASN A 68 -14.938 -6.114 1.439 1.00 1.20 C ATOM 1054 O ASN A 68 -15.766 -5.283 1.824 1.00 1.29 O ATOM 1055 CB ASN A 68 -15.038 -7.260 3.778 1.00 1.69 C ATOM 1056 CG ASN A 68 -16.547 -7.233 3.960 1.00 2.42 C ATOM 1057 OD1 ASN A 68 -17.321 -7.747 3.155 1.00 3.01 O ATOM 1058 ND2 ASN A 68 -16.997 -6.663 5.049 1.00 2.73 N ATOM 0 H ASN A 68 -13.045 -8.717 2.004 1.00 1.07 H new ATOM 0 HA ASN A 68 -15.179 -8.133 1.833 1.00 1.32 H new ATOM 0 HB2 ASN A 68 -14.631 -8.111 4.324 1.00 1.69 H new ATOM 0 HB3 ASN A 68 -14.612 -6.362 4.224 1.00 1.69 H new ATOM 0 HD21 ASN A 68 -17.999 -6.642 5.237 1.00 2.73 H new ATOM 0 HD22 ASN A 68 -16.345 -6.240 5.710 1.00 2.73 H new ATOM 1065 N ARG A 69 -14.282 -5.988 0.269 1.00 1.16 N ATOM 1066 CA ARG A 69 -14.509 -4.953 -0.771 1.00 1.29 C ATOM 1067 C ARG A 69 -14.621 -3.502 -0.262 1.00 1.17 C ATOM 1068 O ARG A 69 -15.384 -2.702 -0.813 1.00 1.74 O ATOM 1069 CB ARG A 69 -15.651 -5.383 -1.723 1.00 1.85 C ATOM 1070 CG ARG A 69 -17.057 -5.443 -1.101 1.00 1.65 C ATOM 1071 CD ARG A 69 -18.099 -5.773 -2.175 1.00 1.78 C ATOM 1072 NE ARG A 69 -19.455 -5.815 -1.609 1.00 2.75 N ATOM 1073 CZ ARG A 69 -20.563 -6.204 -2.270 1.00 3.61 C ATOM 1074 NH1 ARG A 69 -20.515 -6.608 -3.550 1.00 3.96 N ATOM 1075 NH2 ARG A 69 -21.743 -6.188 -1.633 1.00 4.83 N ATOM 0 H ARG A 69 -13.540 -6.637 0.006 1.00 1.16 H new ATOM 0 HA ARG A 69 -13.588 -4.906 -1.353 1.00 1.29 H new ATOM 0 HB2 ARG A 69 -15.676 -4.691 -2.565 1.00 1.85 H new ATOM 0 HB3 ARG A 69 -15.411 -6.367 -2.126 1.00 1.85 H new ATOM 0 HG2 ARG A 69 -17.083 -6.198 -0.315 1.00 1.65 H new ATOM 0 HG3 ARG A 69 -17.296 -4.488 -0.633 1.00 1.65 H new ATOM 0 HD2 ARG A 69 -18.057 -5.026 -2.968 1.00 1.78 H new ATOM 0 HD3 ARG A 69 -17.863 -6.735 -2.630 1.00 1.78 H new ATOM 0 HE ARG A 69 -19.566 -5.526 -0.637 1.00 2.75 H new ATOM 0 HH11 ARG A 69 -19.624 -6.626 -4.046 1.00 3.96 H new ATOM 0 HH12 ARG A 69 -21.370 -6.897 -4.026 1.00 3.96 H new ATOM 0 HH21 ARG A 69 -21.794 -5.884 -0.661 1.00 4.83 H new ATOM 0 HH22 ARG A 69 -22.590 -6.480 -2.121 1.00 4.83 H new ATOM 1089 N LEU A 70 -13.873 -3.165 0.793 1.00 0.93 N ATOM 1090 CA LEU A 70 -13.973 -1.895 1.531 1.00 0.95 C ATOM 1091 C LEU A 70 -13.454 -0.677 0.734 1.00 1.02 C ATOM 1092 O LEU A 70 -13.996 0.418 0.885 1.00 2.09 O ATOM 1093 CB LEU A 70 -13.272 -2.102 2.893 1.00 1.03 C ATOM 1094 CG LEU A 70 -13.293 -0.911 3.873 1.00 1.09 C ATOM 1095 CD1 LEU A 70 -14.696 -0.359 4.136 1.00 2.48 C ATOM 1096 CD2 LEU A 70 -12.727 -1.340 5.230 1.00 2.16 C ATOM 0 H LEU A 70 -13.158 -3.786 1.172 1.00 0.93 H new ATOM 0 HA LEU A 70 -15.020 -1.641 1.697 1.00 0.95 H new ATOM 0 HB2 LEU A 70 -13.734 -2.957 3.387 1.00 1.03 H new ATOM 0 HB3 LEU A 70 -12.232 -2.368 2.703 1.00 1.03 H new ATOM 0 HG LEU A 70 -12.694 -0.134 3.398 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -14.634 0.476 4.834 1.00 2.48 H new ATOM 0 HD12 LEU A 70 -15.134 -0.017 3.198 1.00 2.48 H new ATOM 0 HD13 LEU A 70 -15.321 -1.143 4.563 1.00 2.48 H new ATOM 0 HD21 LEU A 70 -12.745 -0.493 5.916 1.00 2.16 H new ATOM 0 HD22 LEU A 70 -13.332 -2.150 5.637 1.00 2.16 H new ATOM 0 HD23 LEU A 70 -11.700 -1.683 5.104 1.00 2.16 H new ATOM 1108 N ALA A 71 -12.485 -0.881 -0.166 1.00 0.97 N ATOM 1109 CA ALA A 71 -11.896 0.113 -1.072 1.00 0.91 C ATOM 1110 C ALA A 71 -11.214 1.286 -0.340 1.00 0.98 C ATOM 1111 O ALA A 71 -11.813 2.341 -0.092 1.00 1.87 O ATOM 1112 CB ALA A 71 -12.925 0.549 -2.131 1.00 1.21 C ATOM 0 H ALA A 71 -12.065 -1.802 -0.289 1.00 0.97 H new ATOM 0 HA ALA A 71 -11.074 -0.368 -1.602 1.00 0.91 H new ATOM 0 HB1 ALA A 71 -12.474 1.286 -2.795 1.00 1.21 H new ATOM 0 HB2 ALA A 71 -13.239 -0.318 -2.712 1.00 1.21 H new ATOM 0 HB3 ALA A 71 -13.792 0.988 -1.637 1.00 1.21 H new ATOM 1118 N MET A 72 -9.937 1.095 0.001 1.00 1.05 N ATOM 1119 CA MET A 72 -9.069 2.049 0.697 1.00 1.10 C ATOM 1120 C MET A 72 -9.150 3.478 0.107 1.00 1.14 C ATOM 1121 O MET A 72 -9.076 3.639 -1.118 1.00 0.98 O ATOM 1122 CB MET A 72 -7.625 1.507 0.645 1.00 1.04 C ATOM 1123 CG MET A 72 -6.572 2.515 1.124 1.00 0.97 C ATOM 1124 SD MET A 72 -4.885 1.858 1.305 1.00 0.75 S ATOM 1125 CE MET A 72 -3.980 3.424 1.189 1.00 2.46 C ATOM 0 H MET A 72 -9.454 0.222 -0.213 1.00 1.05 H new ATOM 0 HA MET A 72 -9.407 2.141 1.729 1.00 1.10 H new ATOM 0 HB2 MET A 72 -7.561 0.608 1.259 1.00 1.04 H new ATOM 0 HB3 MET A 72 -7.394 1.211 -0.378 1.00 1.04 H new ATOM 0 HG2 MET A 72 -6.545 3.348 0.421 1.00 0.97 H new ATOM 0 HG3 MET A 72 -6.891 2.919 2.085 1.00 0.97 H new ATOM 0 HE1 MET A 72 -2.910 3.223 1.136 1.00 2.46 H new ATOM 0 HE2 MET A 72 -4.294 3.960 0.293 1.00 2.46 H new ATOM 0 HE3 MET A 72 -4.191 4.032 2.068 1.00 2.46 H new ATOM 1135 N PRO A 73 -9.251 4.522 0.954 1.00 1.47 N ATOM 1136 CA PRO A 73 -9.160 5.909 0.516 1.00 1.63 C ATOM 1137 C PRO A 73 -7.714 6.307 0.187 1.00 1.59 C ATOM 1138 O PRO A 73 -6.754 5.783 0.753 1.00 1.54 O ATOM 1139 CB PRO A 73 -9.714 6.735 1.680 1.00 1.92 C ATOM 1140 CG PRO A 73 -9.317 5.911 2.901 1.00 1.95 C ATOM 1141 CD PRO A 73 -9.449 4.475 2.398 1.00 1.71 C ATOM 0 HA PRO A 73 -9.722 6.075 -0.403 1.00 1.63 H new ATOM 0 HB2 PRO A 73 -9.280 7.735 1.709 1.00 1.92 H new ATOM 0 HB3 PRO A 73 -10.795 6.858 1.610 1.00 1.92 H new ATOM 0 HG2 PRO A 73 -8.301 6.134 3.226 1.00 1.95 H new ATOM 0 HG3 PRO A 73 -9.973 6.104 3.750 1.00 1.95 H new ATOM 0 HD2 PRO A 73 -8.709 3.829 2.870 1.00 1.71 H new ATOM 0 HD3 PRO A 73 -10.430 4.067 2.642 1.00 1.71 H new ATOM 1149 N ASN A 74 -7.564 7.282 -0.705 1.00 1.66 N ATOM 1150 CA ASN A 74 -6.286 7.923 -1.003 1.00 1.64 C ATOM 1151 C ASN A 74 -5.859 8.842 0.163 1.00 1.67 C ATOM 1152 O ASN A 74 -6.677 9.587 0.713 1.00 2.49 O ATOM 1153 CB ASN A 74 -6.453 8.613 -2.369 1.00 1.80 C ATOM 1154 CG ASN A 74 -5.245 9.364 -2.897 1.00 1.76 C ATOM 1155 OD1 ASN A 74 -4.425 9.896 -2.165 1.00 1.79 O ATOM 1156 ND2 ASN A 74 -5.122 9.456 -4.194 1.00 2.23 N ATOM 0 H ASN A 74 -8.340 7.656 -1.251 1.00 1.66 H new ATOM 0 HA ASN A 74 -5.460 7.217 -1.087 1.00 1.64 H new ATOM 0 HB2 ASN A 74 -6.732 7.856 -3.102 1.00 1.80 H new ATOM 0 HB3 ASN A 74 -7.286 9.312 -2.299 1.00 1.80 H new ATOM 0 HD21 ASN A 74 -4.340 9.973 -4.597 1.00 2.23 H new ATOM 0 HD22 ASN A 74 -5.808 9.011 -4.804 1.00 2.23 H new ATOM 1163 N MET A 75 -4.577 8.795 0.539 1.00 1.35 N ATOM 1164 CA MET A 75 -4.027 9.503 1.707 1.00 1.55 C ATOM 1165 C MET A 75 -3.214 10.768 1.369 1.00 1.55 C ATOM 1166 O MET A 75 -2.573 11.325 2.260 1.00 2.37 O ATOM 1167 CB MET A 75 -3.263 8.506 2.598 1.00 1.74 C ATOM 1168 CG MET A 75 -4.145 7.356 3.115 1.00 1.93 C ATOM 1169 SD MET A 75 -5.667 7.831 3.987 1.00 2.30 S ATOM 1170 CE MET A 75 -4.991 8.775 5.381 1.00 2.85 C ATOM 0 H MET A 75 -3.876 8.254 0.032 1.00 1.35 H new ATOM 0 HA MET A 75 -4.871 9.902 2.270 1.00 1.55 H new ATOM 0 HB2 MET A 75 -2.429 8.090 2.034 1.00 1.74 H new ATOM 0 HB3 MET A 75 -2.838 9.040 3.448 1.00 1.74 H new ATOM 0 HG2 MET A 75 -4.419 6.729 2.267 1.00 1.93 H new ATOM 0 HG3 MET A 75 -3.545 6.741 3.786 1.00 1.93 H new ATOM 0 HE1 MET A 75 -5.804 9.088 6.037 1.00 2.85 H new ATOM 0 HE2 MET A 75 -4.294 8.150 5.939 1.00 2.85 H new ATOM 0 HE3 MET A 75 -4.469 9.655 5.005 1.00 2.85 H new ATOM 1180 N ARG A 76 -3.264 11.246 0.115 1.00 1.42 N ATOM 1181 CA ARG A 76 -2.713 12.527 -0.382 1.00 1.54 C ATOM 1182 C ARG A 76 -1.216 12.738 -0.064 1.00 1.31 C ATOM 1183 O ARG A 76 -0.841 13.685 0.636 1.00 1.85 O ATOM 1184 CB ARG A 76 -3.606 13.715 0.037 1.00 2.29 C ATOM 1185 CG ARG A 76 -4.932 13.830 -0.737 1.00 3.24 C ATOM 1186 CD ARG A 76 -5.999 12.790 -0.379 1.00 4.94 C ATOM 1187 NE ARG A 76 -7.263 13.085 -1.076 1.00 6.15 N ATOM 1188 CZ ARG A 76 -8.489 12.668 -0.708 1.00 7.65 C ATOM 1189 NH1 ARG A 76 -8.680 11.894 0.372 1.00 8.42 N ATOM 1190 NH2 ARG A 76 -9.555 13.036 -1.433 1.00 8.87 N ATOM 0 H ARG A 76 -3.718 10.718 -0.630 1.00 1.42 H new ATOM 0 HA ARG A 76 -2.738 12.473 -1.470 1.00 1.54 H new ATOM 0 HB2 ARG A 76 -3.829 13.627 1.100 1.00 2.29 H new ATOM 0 HB3 ARG A 76 -3.043 14.639 -0.095 1.00 2.29 H new ATOM 0 HG2 ARG A 76 -5.347 14.823 -0.566 1.00 3.24 H new ATOM 0 HG3 ARG A 76 -4.718 13.753 -1.803 1.00 3.24 H new ATOM 0 HD2 ARG A 76 -5.650 11.794 -0.652 1.00 4.94 H new ATOM 0 HD3 ARG A 76 -6.164 12.786 0.698 1.00 4.94 H new ATOM 0 HE ARG A 76 -7.204 13.659 -1.917 1.00 6.15 H new ATOM 0 HH11 ARG A 76 -7.883 11.605 0.940 1.00 8.42 H new ATOM 0 HH12 ARG A 76 -9.622 11.594 0.625 1.00 8.42 H new ATOM 0 HH21 ARG A 76 -9.433 13.627 -2.255 1.00 8.87 H new ATOM 0 HH22 ARG A 76 -10.488 12.725 -1.162 1.00 8.87 H new ATOM 1204 N LEU A 77 -0.372 11.832 -0.570 1.00 1.00 N ATOM 1205 CA LEU A 77 1.090 11.823 -0.409 1.00 1.24 C ATOM 1206 C LEU A 77 1.851 11.749 -1.752 1.00 1.12 C ATOM 1207 O LEU A 77 1.335 11.213 -2.735 1.00 1.42 O ATOM 1208 CB LEU A 77 1.522 10.713 0.565 1.00 2.01 C ATOM 1209 CG LEU A 77 1.215 9.270 0.109 1.00 1.19 C ATOM 1210 CD1 LEU A 77 2.235 8.318 0.722 1.00 1.95 C ATOM 1211 CD2 LEU A 77 -0.160 8.787 0.576 1.00 1.89 C ATOM 0 H LEU A 77 -0.704 11.047 -1.130 1.00 1.00 H new ATOM 0 HA LEU A 77 1.368 12.783 0.026 1.00 1.24 H new ATOM 0 HB2 LEU A 77 2.595 10.801 0.735 1.00 2.01 H new ATOM 0 HB3 LEU A 77 1.032 10.884 1.524 1.00 2.01 H new ATOM 0 HG LEU A 77 1.248 9.276 -0.980 1.00 1.19 H new ATOM 0 HD11 LEU A 77 2.020 7.299 0.401 1.00 1.95 H new ATOM 0 HD12 LEU A 77 3.236 8.598 0.395 1.00 1.95 H new ATOM 0 HD13 LEU A 77 2.179 8.376 1.809 1.00 1.95 H new ATOM 0 HD21 LEU A 77 -0.325 7.767 0.228 1.00 1.89 H new ATOM 0 HD22 LEU A 77 -0.203 8.811 1.665 1.00 1.89 H new ATOM 0 HD23 LEU A 77 -0.933 9.439 0.168 1.00 1.89 H new ATOM 1223 N GLY A 78 3.072 12.293 -1.785 1.00 1.15 N ATOM 1224 CA GLY A 78 3.844 12.527 -3.018 1.00 1.46 C ATOM 1225 C GLY A 78 4.999 11.556 -3.292 1.00 1.12 C ATOM 1226 O GLY A 78 5.306 10.679 -2.485 1.00 0.88 O ATOM 0 H GLY A 78 3.564 12.590 -0.942 1.00 1.15 H new ATOM 0 HA2 GLY A 78 3.157 12.489 -3.864 1.00 1.46 H new ATOM 0 HA3 GLY A 78 4.249 13.538 -2.981 1.00 1.46 H new ATOM 1230 N ASP A 79 5.658 11.732 -4.443 1.00 1.21 N ATOM 1231 CA ASP A 79 6.661 10.823 -5.032 1.00 1.11 C ATOM 1232 C ASP A 79 7.666 10.218 -4.031 1.00 1.00 C ATOM 1233 O ASP A 79 7.761 8.991 -3.927 1.00 1.29 O ATOM 1234 CB ASP A 79 7.399 11.571 -6.158 1.00 1.25 C ATOM 1235 CG ASP A 79 8.437 10.695 -6.867 1.00 2.26 C ATOM 1236 OD1 ASP A 79 8.027 9.839 -7.679 1.00 2.95 O ATOM 1237 OD2 ASP A 79 9.660 10.840 -6.605 1.00 3.58 O ATOM 0 H ASP A 79 5.501 12.556 -5.024 1.00 1.21 H new ATOM 0 HA ASP A 79 6.113 9.963 -5.417 1.00 1.11 H new ATOM 0 HB2 ASP A 79 6.673 11.929 -6.887 1.00 1.25 H new ATOM 0 HB3 ASP A 79 7.893 12.449 -5.742 1.00 1.25 H new ATOM 1242 N ALA A 80 8.385 11.050 -3.268 1.00 1.02 N ATOM 1243 CA ALA A 80 9.394 10.583 -2.311 1.00 1.08 C ATOM 1244 C ALA A 80 8.793 9.939 -1.046 1.00 0.99 C ATOM 1245 O ALA A 80 9.424 9.051 -0.467 1.00 1.18 O ATOM 1246 CB ALA A 80 10.323 11.749 -1.956 1.00 1.31 C ATOM 0 H ALA A 80 8.284 12.065 -3.297 1.00 1.02 H new ATOM 0 HA ALA A 80 9.962 9.787 -2.792 1.00 1.08 H new ATOM 0 HB1 ALA A 80 11.076 11.410 -1.245 1.00 1.31 H new ATOM 0 HB2 ALA A 80 10.814 12.111 -2.859 1.00 1.31 H new ATOM 0 HB3 ALA A 80 9.741 12.556 -1.511 1.00 1.31 H new ATOM 1252 N GLU A 81 7.579 10.325 -0.635 1.00 0.87 N ATOM 1253 CA GLU A 81 6.855 9.696 0.482 1.00 0.86 C ATOM 1254 C GLU A 81 6.380 8.285 0.106 1.00 0.82 C ATOM 1255 O GLU A 81 6.539 7.339 0.878 1.00 0.89 O ATOM 1256 CB GLU A 81 5.640 10.545 0.915 1.00 0.99 C ATOM 1257 CG GLU A 81 5.994 11.924 1.489 1.00 1.34 C ATOM 1258 CD GLU A 81 4.731 12.750 1.782 1.00 1.40 C ATOM 1259 OE1 GLU A 81 4.093 13.252 0.823 1.00 2.36 O ATOM 1260 OE2 GLU A 81 4.378 12.962 2.970 1.00 1.84 O ATOM 0 H GLU A 81 7.065 11.090 -1.071 1.00 0.87 H new ATOM 0 HA GLU A 81 7.553 9.629 1.317 1.00 0.86 H new ATOM 0 HB2 GLU A 81 4.984 10.682 0.055 1.00 0.99 H new ATOM 0 HB3 GLU A 81 5.074 9.990 1.663 1.00 0.99 H new ATOM 0 HG2 GLU A 81 6.571 11.801 2.405 1.00 1.34 H new ATOM 0 HG3 GLU A 81 6.627 12.462 0.783 1.00 1.34 H new ATOM 1267 N VAL A 82 5.854 8.121 -1.112 1.00 0.80 N ATOM 1268 CA VAL A 82 5.409 6.827 -1.649 1.00 0.92 C ATOM 1269 C VAL A 82 6.601 5.881 -1.844 1.00 1.09 C ATOM 1270 O VAL A 82 6.551 4.727 -1.414 1.00 1.21 O ATOM 1271 CB VAL A 82 4.635 7.040 -2.966 1.00 0.99 C ATOM 1272 CG1 VAL A 82 4.150 5.718 -3.558 1.00 1.28 C ATOM 1273 CG2 VAL A 82 3.372 7.889 -2.760 1.00 0.97 C ATOM 0 H VAL A 82 5.723 8.894 -1.764 1.00 0.80 H new ATOM 0 HA VAL A 82 4.735 6.359 -0.931 1.00 0.92 H new ATOM 0 HB VAL A 82 5.341 7.539 -3.630 1.00 0.99 H new ATOM 0 HG11 VAL A 82 3.610 5.911 -4.485 1.00 1.28 H new ATOM 0 HG12 VAL A 82 5.006 5.076 -3.764 1.00 1.28 H new ATOM 0 HG13 VAL A 82 3.488 5.223 -2.848 1.00 1.28 H new ATOM 0 HG21 VAL A 82 2.858 8.014 -3.713 1.00 0.97 H new ATOM 0 HG22 VAL A 82 2.709 7.390 -2.053 1.00 0.97 H new ATOM 0 HG23 VAL A 82 3.651 8.867 -2.368 1.00 0.97 H new ATOM 1283 N SER A 83 7.708 6.369 -2.414 1.00 1.14 N ATOM 1284 CA SER A 83 8.931 5.565 -2.577 1.00 1.29 C ATOM 1285 C SER A 83 9.634 5.254 -1.247 1.00 1.17 C ATOM 1286 O SER A 83 10.254 4.195 -1.132 1.00 1.14 O ATOM 1287 CB SER A 83 9.894 6.243 -3.556 1.00 1.60 C ATOM 1288 OG SER A 83 9.577 5.871 -4.887 1.00 3.03 O ATOM 0 H SER A 83 7.785 7.321 -2.773 1.00 1.14 H new ATOM 0 HA SER A 83 8.619 4.605 -2.989 1.00 1.29 H new ATOM 0 HB2 SER A 83 9.832 7.326 -3.448 1.00 1.60 H new ATOM 0 HB3 SER A 83 10.920 5.958 -3.325 1.00 1.60 H new ATOM 0 HG SER A 83 10.197 6.311 -5.506 1.00 3.03 H new ATOM 1294 N ALA A 84 9.493 6.102 -0.220 1.00 1.13 N ATOM 1295 CA ALA A 84 9.935 5.806 1.147 1.00 1.09 C ATOM 1296 C ALA A 84 9.103 4.686 1.796 1.00 1.00 C ATOM 1297 O ALA A 84 9.652 3.768 2.405 1.00 1.02 O ATOM 1298 CB ALA A 84 9.849 7.091 1.983 1.00 1.15 C ATOM 0 H ALA A 84 9.064 7.022 -0.317 1.00 1.13 H new ATOM 0 HA ALA A 84 10.964 5.450 1.108 1.00 1.09 H new ATOM 0 HB1 ALA A 84 10.175 6.884 3.002 1.00 1.15 H new ATOM 0 HB2 ALA A 84 10.492 7.854 1.544 1.00 1.15 H new ATOM 0 HB3 ALA A 84 8.819 7.448 1.997 1.00 1.15 H new ATOM 1304 N LEU A 85 7.779 4.716 1.627 1.00 0.92 N ATOM 1305 CA LEU A 85 6.871 3.685 2.141 1.00 0.84 C ATOM 1306 C LEU A 85 7.117 2.304 1.514 1.00 0.86 C ATOM 1307 O LEU A 85 6.980 1.293 2.198 1.00 0.87 O ATOM 1308 CB LEU A 85 5.427 4.163 1.917 1.00 0.89 C ATOM 1309 CG LEU A 85 4.982 5.208 2.957 1.00 0.96 C ATOM 1310 CD1 LEU A 85 3.688 5.855 2.479 1.00 2.52 C ATOM 1311 CD2 LEU A 85 4.728 4.581 4.330 1.00 1.36 C ATOM 0 H LEU A 85 7.301 5.464 1.124 1.00 0.92 H new ATOM 0 HA LEU A 85 7.060 3.550 3.206 1.00 0.84 H new ATOM 0 HB2 LEU A 85 5.340 4.590 0.918 1.00 0.89 H new ATOM 0 HB3 LEU A 85 4.754 3.306 1.957 1.00 0.89 H new ATOM 0 HG LEU A 85 5.783 5.940 3.059 1.00 0.96 H new ATOM 0 HD11 LEU A 85 3.362 6.598 3.207 1.00 2.52 H new ATOM 0 HD12 LEU A 85 3.857 6.340 1.517 1.00 2.52 H new ATOM 0 HD13 LEU A 85 2.918 5.091 2.370 1.00 2.52 H new ATOM 0 HD21 LEU A 85 4.416 5.355 5.031 1.00 1.36 H new ATOM 0 HD22 LEU A 85 3.943 3.829 4.247 1.00 1.36 H new ATOM 0 HD23 LEU A 85 5.643 4.112 4.691 1.00 1.36 H new ATOM 1323 N ILE A 86 7.559 2.251 0.254 1.00 0.91 N ATOM 1324 CA ILE A 86 7.928 1.004 -0.433 1.00 1.02 C ATOM 1325 C ILE A 86 9.180 0.388 0.207 1.00 1.07 C ATOM 1326 O ILE A 86 9.264 -0.829 0.377 1.00 1.18 O ATOM 1327 CB ILE A 86 8.054 1.223 -1.962 1.00 1.18 C ATOM 1328 CG1 ILE A 86 7.110 0.242 -2.678 1.00 1.82 C ATOM 1329 CG2 ILE A 86 9.464 1.058 -2.551 1.00 0.94 C ATOM 1330 CD1 ILE A 86 5.637 0.594 -2.424 1.00 1.72 C ATOM 0 H ILE A 86 7.673 3.082 -0.327 1.00 0.91 H new ATOM 0 HA ILE A 86 7.127 0.275 -0.306 1.00 1.02 H new ATOM 0 HB ILE A 86 7.792 2.268 -2.125 1.00 1.18 H new ATOM 0 HG12 ILE A 86 7.310 0.259 -3.749 1.00 1.82 H new ATOM 0 HG13 ILE A 86 7.308 -0.773 -2.333 1.00 1.82 H new ATOM 0 HG21 ILE A 86 9.432 1.234 -3.626 1.00 0.94 H new ATOM 0 HG22 ILE A 86 10.139 1.776 -2.086 1.00 0.94 H new ATOM 0 HG23 ILE A 86 9.822 0.047 -2.359 1.00 0.94 H new ATOM 0 HD11 ILE A 86 4.998 -0.119 -2.944 1.00 1.72 H new ATOM 0 HD12 ILE A 86 5.432 0.552 -1.354 1.00 1.72 H new ATOM 0 HD13 ILE A 86 5.434 1.599 -2.793 1.00 1.72 H new ATOM 1342 N SER A 87 10.121 1.244 0.609 1.00 1.04 N ATOM 1343 CA SER A 87 11.350 0.876 1.313 1.00 1.05 C ATOM 1344 C SER A 87 11.084 0.465 2.764 1.00 0.93 C ATOM 1345 O SER A 87 11.689 -0.502 3.226 1.00 1.07 O ATOM 1346 CB SER A 87 12.347 2.033 1.234 1.00 1.13 C ATOM 1347 OG SER A 87 12.542 2.369 -0.132 1.00 2.00 O ATOM 0 H SER A 87 10.045 2.248 0.447 1.00 1.04 H new ATOM 0 HA SER A 87 11.778 0.001 0.823 1.00 1.05 H new ATOM 0 HB2 SER A 87 11.971 2.895 1.786 1.00 1.13 H new ATOM 0 HB3 SER A 87 13.294 1.749 1.693 1.00 1.13 H new ATOM 0 HG SER A 87 11.818 2.958 -0.430 1.00 2.00 H new ATOM 1353 N TYR A 88 10.122 1.095 3.461 1.00 0.79 N ATOM 1354 CA TYR A 88 9.711 0.580 4.784 1.00 0.78 C ATOM 1355 C TYR A 88 9.090 -0.827 4.694 1.00 0.82 C ATOM 1356 O TYR A 88 9.437 -1.707 5.485 1.00 0.92 O ATOM 1357 CB TYR A 88 8.767 1.560 5.491 1.00 0.78 C ATOM 1358 CG TYR A 88 8.152 1.030 6.781 1.00 0.81 C ATOM 1359 CD1 TYR A 88 8.972 0.500 7.799 1.00 1.41 C ATOM 1360 CD2 TYR A 88 6.752 1.026 6.951 1.00 2.24 C ATOM 1361 CE1 TYR A 88 8.400 -0.072 8.953 1.00 1.36 C ATOM 1362 CE2 TYR A 88 6.179 0.470 8.112 1.00 2.37 C ATOM 1363 CZ TYR A 88 6.999 -0.109 9.103 1.00 1.06 C ATOM 1364 OH TYR A 88 6.429 -0.723 10.176 1.00 1.26 O ATOM 0 H TYR A 88 9.629 1.931 3.148 1.00 0.79 H new ATOM 0 HA TYR A 88 10.616 0.489 5.385 1.00 0.78 H new ATOM 0 HB2 TYR A 88 9.316 2.475 5.715 1.00 0.78 H new ATOM 0 HB3 TYR A 88 7.964 1.829 4.805 1.00 0.78 H new ATOM 0 HD1 TYR A 88 10.046 0.533 7.693 1.00 1.41 H new ATOM 0 HD2 TYR A 88 6.116 1.451 6.188 1.00 2.24 H new ATOM 0 HE1 TYR A 88 9.036 -0.483 9.723 1.00 1.36 H new ATOM 0 HE2 TYR A 88 5.107 0.487 8.244 1.00 2.37 H new ATOM 0 HH TYR A 88 7.130 -1.091 10.753 1.00 1.26 H new ATOM 1374 N LEU A 89 8.225 -1.065 3.701 1.00 0.80 N ATOM 1375 CA LEU A 89 7.610 -2.377 3.451 1.00 0.88 C ATOM 1376 C LEU A 89 8.643 -3.460 3.075 1.00 0.95 C ATOM 1377 O LEU A 89 8.437 -4.633 3.391 1.00 1.22 O ATOM 1378 CB LEU A 89 6.541 -2.223 2.351 1.00 0.85 C ATOM 1379 CG LEU A 89 5.295 -1.424 2.782 1.00 1.08 C ATOM 1380 CD1 LEU A 89 4.446 -1.065 1.560 1.00 2.54 C ATOM 1381 CD2 LEU A 89 4.418 -2.211 3.753 1.00 1.76 C ATOM 0 H LEU A 89 7.928 -0.346 3.041 1.00 0.80 H new ATOM 0 HA LEU A 89 7.146 -2.718 4.377 1.00 0.88 H new ATOM 0 HB2 LEU A 89 6.992 -1.732 1.489 1.00 0.85 H new ATOM 0 HB3 LEU A 89 6.227 -3.215 2.025 1.00 0.85 H new ATOM 0 HG LEU A 89 5.656 -0.524 3.280 1.00 1.08 H new ATOM 0 HD11 LEU A 89 3.569 -0.501 1.879 1.00 2.54 H new ATOM 0 HD12 LEU A 89 5.036 -0.460 0.872 1.00 2.54 H new ATOM 0 HD13 LEU A 89 4.127 -1.978 1.058 1.00 2.54 H new ATOM 0 HD21 LEU A 89 3.552 -1.610 4.030 1.00 1.76 H new ATOM 0 HD22 LEU A 89 4.083 -3.132 3.276 1.00 1.76 H new ATOM 0 HD23 LEU A 89 4.992 -2.454 4.647 1.00 1.76 H new ATOM 1393 N GLU A 90 9.753 -3.081 2.436 1.00 0.80 N ATOM 1394 CA GLU A 90 10.886 -3.975 2.170 1.00 0.87 C ATOM 1395 C GLU A 90 11.674 -4.316 3.444 1.00 1.01 C ATOM 1396 O GLU A 90 11.896 -5.496 3.724 1.00 1.23 O ATOM 1397 CB GLU A 90 11.780 -3.365 1.076 1.00 0.94 C ATOM 1398 CG GLU A 90 12.913 -4.311 0.656 1.00 1.40 C ATOM 1399 CD GLU A 90 13.616 -3.817 -0.610 1.00 1.48 C ATOM 1400 OE1 GLU A 90 13.061 -4.013 -1.718 1.00 2.23 O ATOM 1401 OE2 GLU A 90 14.738 -3.258 -0.524 1.00 2.44 O ATOM 0 H GLU A 90 9.893 -2.134 2.084 1.00 0.80 H new ATOM 0 HA GLU A 90 10.496 -4.926 1.807 1.00 0.87 H new ATOM 0 HB2 GLU A 90 11.171 -3.122 0.205 1.00 0.94 H new ATOM 0 HB3 GLU A 90 12.206 -2.429 1.438 1.00 0.94 H new ATOM 0 HG2 GLU A 90 13.637 -4.395 1.466 1.00 1.40 H new ATOM 0 HG3 GLU A 90 12.510 -5.309 0.484 1.00 1.40 H new ATOM 1408 N GLU A 91 12.078 -3.319 4.238 1.00 0.97 N ATOM 1409 CA GLU A 91 12.906 -3.554 5.432 1.00 1.15 C ATOM 1410 C GLU A 91 12.138 -4.256 6.557 1.00 1.27 C ATOM 1411 O GLU A 91 12.646 -5.217 7.131 1.00 1.48 O ATOM 1412 CB GLU A 91 13.532 -2.244 5.938 1.00 1.34 C ATOM 1413 CG GLU A 91 14.657 -1.779 5.009 1.00 1.40 C ATOM 1414 CD GLU A 91 15.387 -0.543 5.547 1.00 2.15 C ATOM 1415 OE1 GLU A 91 16.113 -0.648 6.568 1.00 3.12 O ATOM 1416 OE2 GLU A 91 15.325 0.532 4.901 1.00 2.80 O ATOM 0 H GLU A 91 11.846 -2.339 4.077 1.00 0.97 H new ATOM 0 HA GLU A 91 13.706 -4.228 5.125 1.00 1.15 H new ATOM 0 HB2 GLU A 91 12.766 -1.471 6.002 1.00 1.34 H new ATOM 0 HB3 GLU A 91 13.923 -2.389 6.945 1.00 1.34 H new ATOM 0 HG2 GLU A 91 15.372 -2.590 4.875 1.00 1.40 H new ATOM 0 HG3 GLU A 91 14.243 -1.554 4.026 1.00 1.40 H new ATOM 1423 N GLU A 92 10.900 -3.850 6.859 1.00 1.24 N ATOM 1424 CA GLU A 92 10.123 -4.484 7.939 1.00 1.42 C ATOM 1425 C GLU A 92 9.850 -5.970 7.652 1.00 1.56 C ATOM 1426 O GLU A 92 9.868 -6.793 8.565 1.00 1.75 O ATOM 1427 CB GLU A 92 8.808 -3.719 8.160 1.00 1.50 C ATOM 1428 CG GLU A 92 8.150 -4.021 9.517 1.00 2.30 C ATOM 1429 CD GLU A 92 8.720 -3.181 10.665 1.00 2.60 C ATOM 1430 OE1 GLU A 92 9.959 -3.089 10.825 1.00 2.66 O ATOM 1431 OE2 GLU A 92 7.920 -2.550 11.399 1.00 3.80 O ATOM 0 H GLU A 92 10.415 -3.093 6.378 1.00 1.24 H new ATOM 0 HA GLU A 92 10.718 -4.439 8.851 1.00 1.42 H new ATOM 0 HB2 GLU A 92 9.002 -2.649 8.088 1.00 1.50 H new ATOM 0 HB3 GLU A 92 8.110 -3.971 7.361 1.00 1.50 H new ATOM 0 HG2 GLU A 92 7.078 -3.841 9.441 1.00 2.30 H new ATOM 0 HG3 GLU A 92 8.280 -5.078 9.749 1.00 2.30 H new ATOM 1438 N THR A 93 9.691 -6.332 6.373 1.00 1.53 N ATOM 1439 CA THR A 93 9.508 -7.725 5.939 1.00 1.74 C ATOM 1440 C THR A 93 10.700 -8.621 6.306 1.00 1.91 C ATOM 1441 O THR A 93 10.492 -9.777 6.675 1.00 2.19 O ATOM 1442 CB THR A 93 9.181 -7.771 4.434 1.00 1.69 C ATOM 1443 OG1 THR A 93 7.923 -7.166 4.193 1.00 2.30 O ATOM 1444 CG2 THR A 93 9.081 -9.183 3.874 1.00 1.71 C ATOM 0 H THR A 93 9.685 -5.662 5.604 1.00 1.53 H new ATOM 0 HA THR A 93 8.659 -8.137 6.485 1.00 1.74 H new ATOM 0 HB THR A 93 10.004 -7.249 3.947 1.00 1.69 H new ATOM 0 HG1 THR A 93 8.055 -6.301 3.751 1.00 2.30 H new ATOM 0 HG21 THR A 93 8.849 -9.137 2.810 1.00 1.71 H new ATOM 0 HG22 THR A 93 10.031 -9.699 4.016 1.00 1.71 H new ATOM 0 HG23 THR A 93 8.292 -9.726 4.394 1.00 1.71 H new ATOM 1452 N ALA A 94 11.933 -8.095 6.284 1.00 1.85 N ATOM 1453 CA ALA A 94 13.123 -8.801 6.776 1.00 2.18 C ATOM 1454 C ALA A 94 13.308 -8.697 8.305 1.00 2.32 C ATOM 1455 O ALA A 94 13.728 -9.669 8.946 1.00 2.86 O ATOM 1456 CB ALA A 94 14.345 -8.263 6.025 1.00 2.14 C ATOM 0 H ALA A 94 12.133 -7.163 5.922 1.00 1.85 H new ATOM 0 HA ALA A 94 12.996 -9.866 6.580 1.00 2.18 H new ATOM 0 HB1 ALA A 94 15.242 -8.774 6.375 1.00 2.14 H new ATOM 0 HB2 ALA A 94 14.221 -8.438 4.956 1.00 2.14 H new ATOM 0 HB3 ALA A 94 14.443 -7.193 6.208 1.00 2.14 H new ATOM 1462 N ARG A 95 12.999 -7.538 8.904 1.00 1.98 N ATOM 1463 CA ARG A 95 13.227 -7.271 10.338 1.00 2.20 C ATOM 1464 C ARG A 95 12.272 -8.004 11.274 1.00 2.59 C ATOM 1465 O ARG A 95 12.698 -8.388 12.362 1.00 2.98 O ATOM 1466 CB ARG A 95 13.192 -5.753 10.589 1.00 2.19 C ATOM 1467 CG ARG A 95 14.410 -5.045 9.971 1.00 2.39 C ATOM 1468 CD ARG A 95 14.308 -3.523 10.120 1.00 3.15 C ATOM 1469 NE ARG A 95 15.430 -2.836 9.460 1.00 3.59 N ATOM 1470 CZ ARG A 95 16.681 -2.706 9.940 1.00 3.89 C ATOM 1471 NH1 ARG A 95 17.045 -3.211 11.130 1.00 4.19 N ATOM 1472 NH2 ARG A 95 17.589 -2.056 9.197 1.00 5.00 N ATOM 0 H ARG A 95 12.581 -6.752 8.407 1.00 1.98 H new ATOM 0 HA ARG A 95 14.213 -7.670 10.577 1.00 2.20 H new ATOM 0 HB2 ARG A 95 12.277 -5.336 10.169 1.00 2.19 H new ATOM 0 HB3 ARG A 95 13.166 -5.562 11.662 1.00 2.19 H new ATOM 0 HG2 ARG A 95 15.321 -5.399 10.453 1.00 2.39 H new ATOM 0 HG3 ARG A 95 14.486 -5.304 8.915 1.00 2.39 H new ATOM 0 HD2 ARG A 95 13.367 -3.178 9.692 1.00 3.15 H new ATOM 0 HD3 ARG A 95 14.292 -3.261 11.178 1.00 3.15 H new ATOM 0 HE ARG A 95 15.241 -2.417 8.549 1.00 3.59 H new ATOM 0 HH11 ARG A 95 16.364 -3.712 11.701 1.00 4.19 H new ATOM 0 HH12 ARG A 95 18.002 -3.094 11.463 1.00 4.19 H new ATOM 0 HH21 ARG A 95 17.325 -1.673 8.289 1.00 5.00 H new ATOM 0 HH22 ARG A 95 18.543 -1.945 9.540 1.00 5.00 H new ATOM 1486 N LEU A 96 11.013 -8.223 10.875 1.00 2.66 N ATOM 1487 CA LEU A 96 9.971 -8.853 11.706 1.00 3.14 C ATOM 1488 C LEU A 96 9.935 -10.394 11.603 1.00 2.95 C ATOM 1489 O LEU A 96 8.974 -11.032 12.032 1.00 3.44 O ATOM 1490 CB LEU A 96 8.606 -8.165 11.455 1.00 4.46 C ATOM 1491 CG LEU A 96 7.823 -7.623 12.648 1.00 5.68 C ATOM 1492 CD1 LEU A 96 7.453 -8.741 13.599 1.00 5.41 C ATOM 1493 CD2 LEU A 96 8.633 -6.550 13.350 1.00 6.37 C ATOM 0 H LEU A 96 10.680 -7.963 9.947 1.00 2.66 H new ATOM 0 HA LEU A 96 10.232 -8.687 12.751 1.00 3.14 H new ATOM 0 HB2 LEU A 96 8.776 -7.336 10.768 1.00 4.46 H new ATOM 0 HB3 LEU A 96 7.966 -8.881 10.938 1.00 4.46 H new ATOM 0 HG LEU A 96 6.895 -7.177 12.290 1.00 5.68 H new ATOM 0 HD11 LEU A 96 6.896 -8.332 14.442 1.00 5.41 H new ATOM 0 HD12 LEU A 96 6.837 -9.473 13.077 1.00 5.41 H new ATOM 0 HD13 LEU A 96 8.360 -9.224 13.964 1.00 5.41 H new ATOM 0 HD21 LEU A 96 8.069 -6.167 14.201 1.00 6.37 H new ATOM 0 HD22 LEU A 96 9.574 -6.975 13.700 1.00 6.37 H new ATOM 0 HD23 LEU A 96 8.839 -5.736 12.655 1.00 6.37 H new ATOM 1505 N GLN A 97 10.997 -11.019 11.086 1.00 3.03 N ATOM 1506 CA GLN A 97 11.191 -12.479 11.067 1.00 4.02 C ATOM 1507 C GLN A 97 11.616 -13.006 12.461 1.00 4.75 C ATOM 1508 O GLN A 97 12.728 -13.512 12.656 1.00 5.58 O ATOM 1509 CB GLN A 97 12.184 -12.841 9.943 1.00 4.70 C ATOM 1510 CG GLN A 97 11.721 -12.419 8.534 1.00 5.31 C ATOM 1511 CD GLN A 97 10.455 -13.124 8.048 1.00 6.95 C ATOM 1512 OE1 GLN A 97 10.182 -14.279 8.356 1.00 7.71 O ATOM 1513 NE2 GLN A 97 9.628 -12.456 7.278 1.00 8.10 N ATOM 0 H GLN A 97 11.770 -10.512 10.656 1.00 3.03 H new ATOM 0 HA GLN A 97 10.248 -12.979 10.846 1.00 4.02 H new ATOM 0 HB2 GLN A 97 13.144 -12.369 10.155 1.00 4.70 H new ATOM 0 HB3 GLN A 97 12.349 -13.918 9.952 1.00 4.70 H new ATOM 0 HG2 GLN A 97 11.548 -11.343 8.529 1.00 5.31 H new ATOM 0 HG3 GLN A 97 12.526 -12.616 7.826 1.00 5.31 H new ATOM 0 HE21 GLN A 97 9.842 -11.494 7.013 1.00 8.10 H new ATOM 0 HE22 GLN A 97 8.772 -12.899 6.944 1.00 8.10 H new ATOM 1522 N THR A 98 10.755 -12.772 13.461 1.00 5.11 N ATOM 1523 CA THR A 98 10.979 -12.921 14.913 1.00 6.23 C ATOM 1524 C THR A 98 9.627 -13.057 15.649 1.00 7.17 C ATOM 1525 O THR A 98 8.815 -12.128 15.618 1.00 7.43 O ATOM 1526 CB THR A 98 11.785 -11.733 15.483 1.00 6.33 C ATOM 1527 OG1 THR A 98 11.562 -11.612 16.864 1.00 6.93 O ATOM 1528 CG2 THR A 98 11.492 -10.376 14.842 1.00 6.27 C ATOM 0 H THR A 98 9.808 -12.448 13.264 1.00 5.11 H new ATOM 0 HA THR A 98 11.564 -13.827 15.073 1.00 6.23 H new ATOM 0 HB THR A 98 12.822 -11.976 15.251 1.00 6.33 H new ATOM 0 HG1 THR A 98 12.079 -10.857 17.214 1.00 6.93 H new ATOM 0 HG21 THR A 98 12.109 -9.610 15.313 1.00 6.27 H new ATOM 0 HG22 THR A 98 11.719 -10.420 13.777 1.00 6.27 H new ATOM 0 HG23 THR A 98 10.439 -10.129 14.979 1.00 6.27 H new ATOM 1536 N PRO A 99 9.380 -14.165 16.378 1.00 8.08 N ATOM 1537 CA PRO A 99 8.317 -14.270 17.384 1.00 9.28 C ATOM 1538 C PRO A 99 8.761 -13.740 18.773 1.00 9.95 C ATOM 1539 O PRO A 99 8.243 -14.160 19.810 1.00 11.05 O ATOM 1540 CB PRO A 99 7.932 -15.754 17.368 1.00 10.18 C ATOM 1541 CG PRO A 99 9.256 -16.459 17.077 1.00 9.75 C ATOM 1542 CD PRO A 99 10.006 -15.469 16.181 1.00 8.37 C ATOM 0 HA PRO A 99 7.456 -13.641 17.158 1.00 9.28 H new ATOM 0 HB2 PRO A 99 7.509 -16.070 18.322 1.00 10.18 H new ATOM 0 HB3 PRO A 99 7.186 -15.968 16.602 1.00 10.18 H new ATOM 0 HG2 PRO A 99 9.808 -16.667 17.993 1.00 9.75 H new ATOM 0 HG3 PRO A 99 9.099 -17.414 16.575 1.00 9.75 H new ATOM 0 HD2 PRO A 99 11.063 -15.434 16.444 1.00 8.37 H new ATOM 0 HD3 PRO A 99 9.947 -15.772 15.136 1.00 8.37 H new ATOM 1550 N VAL A 100 9.776 -12.868 18.816 1.00 9.55 N ATOM 1551 CA VAL A 100 10.591 -12.524 20.002 1.00 10.41 C ATOM 1552 C VAL A 100 10.677 -10.987 20.209 1.00 10.80 C ATOM 1553 O VAL A 100 11.496 -10.485 20.986 1.00 11.36 O ATOM 1554 CB VAL A 100 11.963 -13.254 19.880 1.00 10.59 C ATOM 1555 CG1 VAL A 100 12.876 -13.126 21.111 1.00 11.77 C ATOM 1556 CG2 VAL A 100 11.770 -14.774 19.710 1.00 11.25 C ATOM 0 H VAL A 100 10.071 -12.354 17.986 1.00 9.55 H new ATOM 0 HA VAL A 100 10.119 -12.878 20.918 1.00 10.41 H new ATOM 0 HB VAL A 100 12.424 -12.768 19.020 1.00 10.59 H new ATOM 0 HG11 VAL A 100 13.806 -13.666 20.932 1.00 11.77 H new ATOM 0 HG12 VAL A 100 13.096 -12.074 21.293 1.00 11.77 H new ATOM 0 HG13 VAL A 100 12.374 -13.547 21.982 1.00 11.77 H new ATOM 0 HG21 VAL A 100 12.743 -15.257 19.627 1.00 11.25 H new ATOM 0 HG22 VAL A 100 11.239 -15.172 20.575 1.00 11.25 H new ATOM 0 HG23 VAL A 100 11.191 -14.969 18.807 1.00 11.25 H new ATOM 1566 N THR A 101 9.816 -10.205 19.544 1.00 10.85 N ATOM 1567 CA THR A 101 9.874 -8.724 19.543 1.00 11.50 C ATOM 1568 C THR A 101 9.474 -8.056 20.869 1.00 12.18 C ATOM 1569 O THR A 101 8.752 -8.626 21.693 1.00 12.94 O ATOM 1570 CB THR A 101 9.039 -8.096 18.413 1.00 11.60 C ATOM 1571 OG1 THR A 101 7.677 -8.461 18.498 1.00 11.67 O ATOM 1572 CG2 THR A 101 9.543 -8.469 17.023 1.00 11.77 C ATOM 0 H THR A 101 9.050 -10.579 18.984 1.00 10.85 H new ATOM 0 HA THR A 101 10.934 -8.527 19.381 1.00 11.50 H new ATOM 0 HB THR A 101 9.147 -7.020 18.551 1.00 11.60 H new ATOM 0 HG1 THR A 101 7.180 -8.042 17.765 1.00 11.67 H new ATOM 0 HG21 THR A 101 8.914 -7.996 16.269 1.00 11.77 H new ATOM 0 HG22 THR A 101 10.571 -8.126 16.905 1.00 11.77 H new ATOM 0 HG23 THR A 101 9.505 -9.551 16.900 1.00 11.77 H new ATOM 1580 N ASN A 102 9.917 -6.806 21.051 1.00 12.17 N ATOM 1581 CA ASN A 102 9.536 -5.911 22.149 1.00 12.90 C ATOM 1582 C ASN A 102 8.257 -5.107 21.810 1.00 13.05 C ATOM 1583 O ASN A 102 8.069 -4.663 20.670 1.00 12.93 O ATOM 1584 CB ASN A 102 10.750 -4.999 22.454 1.00 13.42 C ATOM 1585 CG ASN A 102 10.589 -4.080 23.660 1.00 14.08 C ATOM 1586 OD1 ASN A 102 9.621 -4.139 24.404 1.00 14.64 O ATOM 1587 ND2 ASN A 102 11.524 -3.192 23.889 1.00 14.31 N ATOM 0 H ASN A 102 10.580 -6.372 20.408 1.00 12.17 H new ATOM 0 HA ASN A 102 9.285 -6.487 23.040 1.00 12.90 H new ATOM 0 HB2 ASN A 102 11.626 -5.629 22.612 1.00 13.42 H new ATOM 0 HB3 ASN A 102 10.953 -4.386 21.576 1.00 13.42 H new ATOM 0 HD21 ASN A 102 11.441 -2.557 24.683 1.00 14.31 H new ATOM 0 HD22 ASN A 102 12.335 -3.135 23.273 1.00 14.31 H new ATOM 1594 N ARG A 103 7.396 -4.868 22.806 1.00 13.66 N ATOM 1595 CA ARG A 103 6.229 -3.968 22.724 1.00 14.20 C ATOM 1596 C ARG A 103 6.624 -2.481 22.714 1.00 14.39 C ATOM 1597 O ARG A 103 5.939 -1.674 22.078 1.00 14.60 O ATOM 1598 CB ARG A 103 5.328 -4.291 23.934 1.00 15.15 C ATOM 1599 CG ARG A 103 4.067 -3.420 24.080 1.00 15.82 C ATOM 1600 CD ARG A 103 3.054 -3.627 22.947 1.00 16.00 C ATOM 1601 NE ARG A 103 2.002 -2.599 22.959 1.00 16.52 N ATOM 1602 CZ ARG A 103 0.978 -2.500 23.828 1.00 17.43 C ATOM 1603 NH1 ARG A 103 0.808 -3.374 24.833 1.00 18.01 N ATOM 1604 NH2 ARG A 103 0.099 -1.497 23.686 1.00 18.01 N ATOM 0 H ARG A 103 7.491 -5.307 23.722 1.00 13.66 H new ATOM 0 HA ARG A 103 5.706 -4.134 21.783 1.00 14.20 H new ATOM 0 HB2 ARG A 103 5.020 -5.334 23.866 1.00 15.15 H new ATOM 0 HB3 ARG A 103 5.922 -4.192 24.842 1.00 15.15 H new ATOM 0 HG2 ARG A 103 3.587 -3.644 25.033 1.00 15.82 H new ATOM 0 HG3 ARG A 103 4.360 -2.370 24.109 1.00 15.82 H new ATOM 0 HD2 ARG A 103 3.572 -3.606 21.988 1.00 16.00 H new ATOM 0 HD3 ARG A 103 2.599 -4.613 23.042 1.00 16.00 H new ATOM 0 HE ARG A 103 2.054 -1.885 22.232 1.00 16.52 H new ATOM 0 HH11 ARG A 103 1.466 -4.143 24.957 1.00 18.01 H new ATOM 0 HH12 ARG A 103 0.021 -3.269 25.473 1.00 18.01 H new ATOM 0 HH21 ARG A 103 0.212 -0.824 22.928 1.00 18.01 H new ATOM 0 HH22 ARG A 103 -0.682 -1.408 24.336 1.00 18.01 H new ATOM 1618 N GLY A 104 7.714 -2.128 23.398 1.00 14.70 N ATOM 1619 CA GLY A 104 8.152 -0.749 23.635 1.00 15.23 C ATOM 1620 C GLY A 104 8.388 0.065 22.357 1.00 15.07 C ATOM 1621 O GLY A 104 8.844 -0.469 21.339 1.00 15.14 O ATOM 0 H GLY A 104 8.338 -2.817 23.817 1.00 14.70 H new ATOM 0 HA2 GLY A 104 7.403 -0.241 24.242 1.00 15.23 H new ATOM 0 HA3 GLY A 104 9.074 -0.767 24.216 1.00 15.23 H new ATOM 1625 N ILE A 105 8.063 1.359 22.416 1.00 15.11 N ATOM 1626 CA ILE A 105 8.040 2.265 21.257 1.00 15.19 C ATOM 1627 C ILE A 105 9.476 2.620 20.813 1.00 15.95 C ATOM 1628 O ILE A 105 10.276 3.049 21.658 1.00 16.45 O ATOM 1629 CB ILE A 105 7.206 3.536 21.565 1.00 15.14 C ATOM 1630 CG1 ILE A 105 5.764 3.146 21.979 1.00 14.90 C ATOM 1631 CG2 ILE A 105 7.183 4.487 20.352 1.00 15.29 C ATOM 1632 CD1 ILE A 105 4.843 4.328 22.308 1.00 15.30 C ATOM 0 H ILE A 105 7.802 1.819 23.288 1.00 15.11 H new ATOM 0 HA ILE A 105 7.556 1.750 20.427 1.00 15.19 H new ATOM 0 HB ILE A 105 7.677 4.061 22.396 1.00 15.14 H new ATOM 0 HG12 ILE A 105 5.314 2.568 21.172 1.00 14.90 H new ATOM 0 HG13 ILE A 105 5.816 2.492 22.849 1.00 14.90 H new ATOM 0 HG21 ILE A 105 6.592 5.370 20.593 1.00 15.29 H new ATOM 0 HG22 ILE A 105 8.201 4.788 20.106 1.00 15.29 H new ATOM 0 HG23 ILE A 105 6.739 3.976 19.497 1.00 15.29 H new ATOM 0 HD11 ILE A 105 3.857 3.955 22.586 1.00 15.30 H new ATOM 0 HD12 ILE A 105 5.263 4.897 23.138 1.00 15.30 H new ATOM 0 HD13 ILE A 105 4.753 4.974 21.434 1.00 15.30 H new ATOM 1644 N PRO A 106 9.824 2.484 19.515 1.00 16.38 N ATOM 1645 CA PRO A 106 11.126 2.881 18.975 1.00 17.44 C ATOM 1646 C PRO A 106 11.275 4.408 18.905 1.00 17.90 C ATOM 1647 O PRO A 106 10.524 5.081 18.167 1.00 18.02 O ATOM 1648 CB PRO A 106 11.252 2.179 17.620 1.00 18.03 C ATOM 1649 CG PRO A 106 9.804 2.042 17.162 1.00 17.41 C ATOM 1650 CD PRO A 106 9.026 1.861 18.464 1.00 16.27 C ATOM 1651 OXT PRO A 106 12.136 4.981 19.571 1.00 18.38 O ATOM 0 HA PRO A 106 11.946 2.575 19.624 1.00 17.44 H new ATOM 0 HB2 PRO A 106 11.843 2.765 16.916 1.00 18.03 H new ATOM 0 HB3 PRO A 106 11.738 1.208 17.713 1.00 18.03 H new ATOM 0 HG2 PRO A 106 9.472 2.925 16.617 1.00 17.41 H new ATOM 0 HG3 PRO A 106 9.674 1.189 16.496 1.00 17.41 H new ATOM 0 HD2 PRO A 106 8.043 2.327 18.396 1.00 16.27 H new ATOM 0 HD3 PRO A 106 8.864 0.804 18.675 1.00 16.27 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -4.097 0.708 3.355 1.00 0.72 FE HETATM 1661 CHA HEC A 107 -4.881 -2.277 1.669 1.00 0.85 C HETATM 1662 CHB HEC A 107 -0.852 0.534 2.093 1.00 0.75 C HETATM 1663 CHC HEC A 107 -3.366 3.762 4.831 1.00 0.91 C HETATM 1664 CHD HEC A 107 -7.297 0.788 4.682 1.00 0.92 C HETATM 1665 NA HEC A 107 -3.053 -0.633 2.107 1.00 0.71 N HETATM 1666 C1A HEC A 107 -3.581 -1.770 1.542 1.00 0.78 C HETATM 1667 C2A HEC A 107 -2.531 -2.395 0.767 1.00 0.83 C HETATM 1668 C3A HEC A 107 -1.401 -1.614 0.906 1.00 0.78 C HETATM 1669 C4A HEC A 107 -1.743 -0.492 1.749 1.00 0.72 C HETATM 1670 CMA HEC A 107 -0.045 -1.877 0.287 1.00 0.85 C HETATM 1671 CAA HEC A 107 -2.632 -3.681 -0.036 1.00 0.95 C HETATM 1672 CBA HEC A 107 -2.190 -4.926 0.748 1.00 1.48 C HETATM 1673 CGA HEC A 107 -2.173 -6.171 -0.127 1.00 1.47 C HETATM 1674 O1A HEC A 107 -1.409 -6.172 -1.113 1.00 1.91 O HETATM 1675 O2A HEC A 107 -2.921 -7.119 0.189 1.00 2.56 O HETATM 1676 NB HEC A 107 -2.402 1.924 3.463 1.00 0.77 N HETATM 1677 C1B HEC A 107 -1.202 1.644 2.872 1.00 0.77 C HETATM 1678 C2B HEC A 107 -0.307 2.735 3.191 1.00 0.89 C HETATM 1679 C3B HEC A 107 -1.032 3.693 3.871 1.00 0.86 C HETATM 1680 C4B HEC A 107 -2.345 3.134 4.108 1.00 0.85 C HETATM 1681 CMB HEC A 107 1.151 2.824 2.799 1.00 1.10 C HETATM 1682 CAB HEC A 107 -0.589 5.117 4.192 1.00 0.91 C HETATM 1683 CBB HEC A 107 -0.375 5.946 2.926 1.00 1.12 C HETATM 1684 NC HEC A 107 -5.146 2.045 4.524 1.00 0.81 N HETATM 1685 C1C HEC A 107 -4.631 3.206 5.024 1.00 0.88 C HETATM 1686 C2C HEC A 107 -5.643 3.800 5.859 1.00 0.99 C HETATM 1687 C3C HEC A 107 -6.732 2.952 5.859 1.00 0.97 C HETATM 1688 C4C HEC A 107 -6.427 1.854 4.966 1.00 0.87 C HETATM 1689 CMC HEC A 107 -5.454 5.052 6.690 1.00 1.19 C HETATM 1690 CAC HEC A 107 -7.921 3.027 6.796 1.00 1.06 C HETATM 1691 CBC HEC A 107 -8.903 4.136 6.425 1.00 1.22 C HETATM 1692 ND HEC A 107 -5.806 -0.505 3.164 1.00 0.79 N HETATM 1693 C1D HEC A 107 -6.977 -0.277 3.827 1.00 0.89 C HETATM 1694 C2D HEC A 107 -7.857 -1.381 3.520 1.00 1.02 C HETATM 1695 C3D HEC A 107 -7.205 -2.200 2.621 1.00 0.98 C HETATM 1696 C4D HEC A 107 -5.877 -1.666 2.438 1.00 0.85 C HETATM 1697 CMD HEC A 107 -9.217 -1.634 4.129 1.00 1.24 C HETATM 1698 CAD HEC A 107 -7.760 -3.456 1.977 1.00 1.16 C HETATM 1699 CBD HEC A 107 -8.004 -3.341 0.461 1.00 1.93 C HETATM 1700 CGD HEC A 107 -9.078 -2.331 0.091 1.00 3.40 C HETATM 1701 O1D HEC A 107 -10.239 -2.533 0.503 1.00 4.65 O HETATM 1702 O2D HEC A 107 -8.721 -1.378 -0.632 1.00 3.99 O HETATM 0 HMD3 HEC A 107 -9.116 -1.753 5.208 1.00 1.24 H new HETATM 0 HMD2 HEC A 107 -9.873 -0.790 3.917 1.00 1.24 H new HETATM 0 HMD1 HEC A 107 -9.644 -2.542 3.702 1.00 1.24 H new HETATM 0 HMC3 HEC A 107 -4.650 4.894 7.409 1.00 1.19 H new HETATM 0 HMC2 HEC A 107 -5.198 5.887 6.037 1.00 1.19 H new HETATM 0 HMC1 HEC A 107 -6.378 5.278 7.223 1.00 1.19 H new HETATM 0 HMB3 HEC A 107 1.695 1.981 3.226 1.00 1.10 H new HETATM 0 HMB2 HEC A 107 1.238 2.799 1.713 1.00 1.10 H new HETATM 0 HMB1 HEC A 107 1.573 3.756 3.175 1.00 1.10 H new HETATM 0 HMA3 HEC A 107 0.334 -2.837 0.637 1.00 0.85 H new HETATM 0 HMA2 HEC A 107 -0.138 -1.897 -0.799 1.00 0.85 H new HETATM 0 HMA1 HEC A 107 0.647 -1.086 0.577 1.00 0.85 H new HETATM 0 HBD2 HEC A 107 -7.071 -3.062 -0.028 1.00 1.93 H new HETATM 0 HBD1 HEC A 107 -8.288 -4.319 0.072 1.00 1.93 H new HETATM 0 HBC3 HEC A 107 -8.394 5.099 6.459 1.00 1.22 H new HETATM 0 HBC2 HEC A 107 -9.285 3.962 5.419 1.00 1.22 H new HETATM 0 HBC1 HEC A 107 -9.732 4.139 7.132 1.00 1.22 H new HETATM 0 HBB3 HEC A 107 0.395 5.480 2.311 1.00 1.12 H new HETATM 0 HBB2 HEC A 107 -1.307 5.997 2.363 1.00 1.12 H new HETATM 0 HBB1 HEC A 107 -0.060 6.953 3.199 1.00 1.12 H new HETATM 0 HBA2 HEC A 107 -1.196 -4.760 1.162 1.00 1.48 H new HETATM 0 HBA1 HEC A 107 -2.864 -5.083 1.590 1.00 1.48 H new HETATM 0 HAD2 HEC A 107 -7.069 -4.279 2.160 1.00 1.16 H new HETATM 0 HAD1 HEC A 107 -8.700 -3.715 2.465 1.00 1.16 H new HETATM 0 HAA2 HEC A 107 -3.662 -3.815 -0.365 1.00 0.95 H new HETATM 0 HAA1 HEC A 107 -2.020 -3.589 -0.933 1.00 0.95 H new HETATM 0 HHD HEC A 107 -8.279 0.789 5.154 1.00 0.92 H new HETATM 0 HHC HEC A 107 -3.161 4.740 5.267 1.00 0.91 H new HETATM 0 HHB HEC A 107 0.174 0.464 1.733 1.00 0.75 H new HETATM 0 HHA HEC A 107 -5.130 -3.197 1.140 1.00 0.85 H new HETATM 0 H2D HEC A 107 -9.114 -1.479 -1.524 1.00 3.99 H new HETATM 0 H2A HEC A 107 -3.190 -7.607 -0.618 1.00 2.56 H new