USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 MET CE :methyl -163:sc= -1.25 (180deg=-2.22) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00637 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 66:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= 1.05 X(o=1.1,f=0.86) USER MOD Single : A 31 ASN : amide:sc= -0.0309 K(o=-0.031,f=-0.95) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.807 K(o=0.81,f=-4.4!) USER MOD Single : A 52 ASN : amide:sc=-0.00561 K(o=-0.0056,f=-0.53) USER MOD Single : A 53 SER OG : rot 84:sc= 1.27 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.284 K(o=-0.28,f=-0.87) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.15) USER MOD Single : A 67 MET CE :methyl -166:sc= 0 (180deg=-0.168) USER MOD Single : A 69 THR OG1 : rot -81:sc= 1.28 USER MOD Single : A 82 ASN : amide:sc= -0.0538 K(o=-0.054,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 29 N CYS A 16 2.288 -0.288 -5.231 1.00 1.50 N ATOM 30 CA CYS A 16 2.791 1.091 -5.263 1.00 1.49 C ATOM 31 C CYS A 16 4.010 1.271 -6.191 1.00 1.37 C ATOM 32 O CYS A 16 5.118 1.616 -5.764 1.00 1.22 O ATOM 33 CB CYS A 16 2.975 1.580 -3.820 1.00 1.46 C ATOM 34 SG CYS A 16 1.398 2.092 -3.075 1.00 1.50 S ATOM 0 HA CYS A 16 2.055 1.745 -5.731 1.00 1.49 H new ATOM 0 HB2 CYS A 16 3.419 0.785 -3.221 1.00 1.46 H new ATOM 0 HB3 CYS A 16 3.673 2.417 -3.806 1.00 1.46 H new ATOM 39 N LEU A 17 3.786 1.051 -7.491 1.00 1.60 N ATOM 40 CA LEU A 17 4.780 1.175 -8.572 1.00 1.63 C ATOM 41 C LEU A 17 5.544 2.507 -8.540 1.00 1.57 C ATOM 42 O LEU A 17 6.742 2.539 -8.799 1.00 1.47 O ATOM 43 CB LEU A 17 4.062 1.036 -9.935 1.00 1.89 C ATOM 44 CG LEU A 17 3.915 -0.388 -10.498 1.00 2.02 C ATOM 45 CD1 LEU A 17 5.267 -0.981 -10.886 1.00 2.96 C ATOM 46 CD2 LEU A 17 3.214 -1.346 -9.539 1.00 2.40 C ATOM 0 H LEU A 17 2.869 0.769 -7.837 1.00 1.60 H new ATOM 0 HA LEU A 17 5.514 0.382 -8.427 1.00 1.63 H new ATOM 0 HB2 LEU A 17 3.066 1.469 -9.840 1.00 1.89 H new ATOM 0 HB3 LEU A 17 4.602 1.637 -10.667 1.00 1.89 H new ATOM 0 HG LEU A 17 3.290 -0.280 -11.384 1.00 2.02 H new ATOM 0 HD11 LEU A 17 5.123 -1.987 -11.280 1.00 2.96 H new ATOM 0 HD12 LEU A 17 5.733 -0.356 -11.648 1.00 2.96 H new ATOM 0 HD13 LEU A 17 5.911 -1.023 -10.008 1.00 2.96 H new ATOM 0 HD21 LEU A 17 3.143 -2.332 -9.997 1.00 2.40 H new ATOM 0 HD22 LEU A 17 3.785 -1.416 -8.613 1.00 2.40 H new ATOM 0 HD23 LEU A 17 2.213 -0.974 -9.321 1.00 2.40 H new ATOM 58 N SER A 18 4.874 3.593 -8.162 1.00 1.70 N ATOM 59 CA SER A 18 5.415 4.957 -8.114 1.00 1.76 C ATOM 60 C SER A 18 6.538 5.124 -7.081 1.00 1.57 C ATOM 61 O SER A 18 7.525 5.818 -7.330 1.00 1.55 O ATOM 62 CB SER A 18 4.270 5.898 -7.743 1.00 2.03 C ATOM 63 OG SER A 18 3.102 5.631 -8.505 1.00 2.25 O ATOM 0 H SER A 18 3.898 3.549 -7.868 1.00 1.70 H new ATOM 0 HA SER A 18 5.842 5.183 -9.091 1.00 1.76 H new ATOM 0 HB2 SER A 18 4.044 5.795 -6.682 1.00 2.03 H new ATOM 0 HB3 SER A 18 4.581 6.930 -7.903 1.00 2.03 H new ATOM 0 HG SER A 18 2.390 6.250 -8.240 1.00 2.25 H new ATOM 69 N GLU A 19 6.425 4.445 -5.938 1.00 1.53 N ATOM 70 CA GLU A 19 7.483 4.386 -4.922 1.00 1.44 C ATOM 71 C GLU A 19 8.485 3.264 -5.232 1.00 1.13 C ATOM 72 O GLU A 19 9.666 3.366 -4.894 1.00 1.04 O ATOM 73 CB GLU A 19 6.840 4.215 -3.534 1.00 1.56 C ATOM 74 CG GLU A 19 7.658 4.867 -2.413 1.00 2.03 C ATOM 75 CD GLU A 19 7.739 6.390 -2.587 1.00 2.37 C ATOM 76 OE1 GLU A 19 6.687 7.077 -2.522 1.00 2.55 O ATOM 77 OE2 GLU A 19 8.850 6.934 -2.774 1.00 3.31 O ATOM 0 H GLU A 19 5.590 3.915 -5.687 1.00 1.53 H new ATOM 0 HA GLU A 19 8.048 5.318 -4.931 1.00 1.44 H new ATOM 0 HB2 GLU A 19 5.840 4.649 -3.547 1.00 1.56 H new ATOM 0 HB3 GLU A 19 6.724 3.152 -3.321 1.00 1.56 H new ATOM 0 HG2 GLU A 19 7.206 4.634 -1.449 1.00 2.03 H new ATOM 0 HG3 GLU A 19 8.664 4.447 -2.404 1.00 2.03 H new ATOM 84 N SER A 20 8.037 2.229 -5.956 1.00 1.06 N ATOM 85 CA SER A 20 8.936 1.176 -6.467 1.00 0.98 C ATOM 86 C SER A 20 9.930 1.720 -7.514 1.00 1.08 C ATOM 87 O SER A 20 11.092 1.312 -7.555 1.00 1.06 O ATOM 88 CB SER A 20 8.124 0.010 -7.039 1.00 1.07 C ATOM 89 OG SER A 20 8.841 -1.201 -6.885 1.00 1.88 O ATOM 0 H SER A 20 7.056 2.095 -6.203 1.00 1.06 H new ATOM 0 HA SER A 20 9.526 0.813 -5.626 1.00 0.98 H new ATOM 0 HB2 SER A 20 7.163 -0.059 -6.529 1.00 1.07 H new ATOM 0 HB3 SER A 20 7.913 0.186 -8.094 1.00 1.07 H new ATOM 0 HG SER A 20 8.314 -1.942 -7.252 1.00 1.88 H new ATOM 95 N ASP A 21 9.516 2.710 -8.307 1.00 1.22 N ATOM 96 CA ASP A 21 10.354 3.503 -9.214 1.00 1.31 C ATOM 97 C ASP A 21 11.434 4.292 -8.452 1.00 1.28 C ATOM 98 O ASP A 21 12.614 4.220 -8.799 1.00 1.33 O ATOM 99 CB ASP A 21 9.411 4.423 -10.011 1.00 1.39 C ATOM 100 CG ASP A 21 10.113 5.454 -10.895 1.00 1.72 C ATOM 101 OD1 ASP A 21 10.367 6.584 -10.409 1.00 2.59 O ATOM 102 OD2 ASP A 21 10.317 5.169 -12.096 1.00 2.17 O ATOM 0 H ASP A 21 8.537 2.996 -8.337 1.00 1.22 H new ATOM 0 HA ASP A 21 10.904 2.852 -9.894 1.00 1.31 H new ATOM 0 HB2 ASP A 21 8.769 3.805 -10.639 1.00 1.39 H new ATOM 0 HB3 ASP A 21 8.762 4.948 -9.310 1.00 1.39 H new ATOM 107 N ALA A 22 11.065 4.973 -7.360 1.00 1.23 N ATOM 108 CA ALA A 22 12.010 5.722 -6.530 1.00 1.22 C ATOM 109 C ALA A 22 13.025 4.798 -5.816 1.00 1.08 C ATOM 110 O ALA A 22 14.219 5.110 -5.776 1.00 1.16 O ATOM 111 CB ALA A 22 11.204 6.595 -5.561 1.00 1.25 C ATOM 0 H ALA A 22 10.101 5.019 -7.029 1.00 1.23 H new ATOM 0 HA ALA A 22 12.625 6.366 -7.159 1.00 1.22 H new ATOM 0 HB1 ALA A 22 11.887 7.164 -4.930 1.00 1.25 H new ATOM 0 HB2 ALA A 22 10.575 7.282 -6.127 1.00 1.25 H new ATOM 0 HB3 ALA A 22 10.576 5.960 -4.936 1.00 1.25 H new ATOM 117 N SER A 23 12.576 3.628 -5.340 1.00 0.91 N ATOM 118 CA SER A 23 13.430 2.519 -4.871 1.00 0.79 C ATOM 119 C SER A 23 14.407 2.030 -5.953 1.00 0.91 C ATOM 120 O SER A 23 15.616 1.978 -5.729 1.00 0.94 O ATOM 121 CB SER A 23 12.546 1.345 -4.421 1.00 0.69 C ATOM 122 OG SER A 23 13.314 0.321 -3.818 1.00 1.51 O ATOM 0 H SER A 23 11.581 3.418 -5.267 1.00 0.91 H new ATOM 0 HA SER A 23 14.023 2.897 -4.038 1.00 0.79 H new ATOM 0 HB2 SER A 23 11.796 1.702 -3.716 1.00 0.69 H new ATOM 0 HB3 SER A 23 12.010 0.942 -5.280 1.00 0.69 H new ATOM 0 HG SER A 23 12.724 -0.411 -3.541 1.00 1.51 H new ATOM 128 N THR A 24 13.910 1.740 -7.162 1.00 1.04 N ATOM 129 CA THR A 24 14.710 1.247 -8.305 1.00 1.25 C ATOM 130 C THR A 24 15.821 2.242 -8.682 1.00 1.46 C ATOM 131 O THR A 24 16.977 1.853 -8.889 1.00 1.58 O ATOM 132 CB THR A 24 13.779 0.965 -9.507 1.00 1.35 C ATOM 133 OG1 THR A 24 12.800 0.001 -9.155 1.00 1.26 O ATOM 134 CG2 THR A 24 14.492 0.398 -10.732 1.00 1.52 C ATOM 0 H THR A 24 12.920 1.842 -7.384 1.00 1.04 H new ATOM 0 HA THR A 24 15.200 0.318 -8.014 1.00 1.25 H new ATOM 0 HB THR A 24 13.355 1.938 -9.757 1.00 1.35 H new ATOM 0 HG1 THR A 24 12.200 0.377 -8.477 1.00 1.26 H new ATOM 0 HG21 THR A 24 13.768 0.229 -11.529 1.00 1.52 H new ATOM 0 HG22 THR A 24 15.248 1.105 -11.073 1.00 1.52 H new ATOM 0 HG23 THR A 24 14.970 -0.546 -10.470 1.00 1.52 H new ATOM 142 N ARG A 25 15.495 3.543 -8.683 1.00 1.53 N ATOM 143 CA ARG A 25 16.432 4.651 -8.933 1.00 1.71 C ATOM 144 C ARG A 25 17.444 4.848 -7.795 1.00 1.54 C ATOM 145 O ARG A 25 18.621 5.067 -8.089 1.00 1.66 O ATOM 146 CB ARG A 25 15.615 5.923 -9.229 1.00 1.88 C ATOM 147 CG ARG A 25 14.984 5.874 -10.637 1.00 2.34 C ATOM 148 CD ARG A 25 13.756 6.780 -10.788 1.00 1.97 C ATOM 149 NE ARG A 25 14.027 8.179 -10.414 1.00 2.81 N ATOM 150 CZ ARG A 25 13.198 8.997 -9.797 1.00 3.84 C ATOM 151 NH1 ARG A 25 11.970 8.698 -9.490 1.00 4.13 N ATOM 152 NH2 ARG A 25 13.599 10.174 -9.444 1.00 5.39 N ATOM 0 H ARG A 25 14.543 3.864 -8.505 1.00 1.53 H new ATOM 0 HA ARG A 25 17.045 4.408 -9.801 1.00 1.71 H new ATOM 0 HB2 ARG A 25 14.830 6.035 -8.481 1.00 1.88 H new ATOM 0 HB3 ARG A 25 16.260 6.798 -9.148 1.00 1.88 H new ATOM 0 HG2 ARG A 25 15.733 6.165 -11.373 1.00 2.34 H new ATOM 0 HG3 ARG A 25 14.698 4.847 -10.863 1.00 2.34 H new ATOM 0 HD2 ARG A 25 13.410 6.746 -11.821 1.00 1.97 H new ATOM 0 HD3 ARG A 25 12.947 6.394 -10.168 1.00 1.97 H new ATOM 0 HE ARG A 25 14.946 8.551 -10.656 1.00 2.81 H new ATOM 0 HH11 ARG A 25 11.594 7.780 -9.728 1.00 4.13 H new ATOM 0 HH12 ARG A 25 11.383 9.381 -9.011 1.00 4.13 H new ATOM 0 HH21 ARG A 25 14.555 10.468 -9.643 1.00 5.39 H new ATOM 0 HH22 ARG A 25 12.959 10.809 -8.966 1.00 5.39 H new ATOM 166 N CYS A 26 17.039 4.693 -6.529 1.00 1.30 N ATOM 167 CA CYS A 26 17.973 4.649 -5.392 1.00 1.18 C ATOM 168 C CYS A 26 19.013 3.533 -5.571 1.00 1.19 C ATOM 169 O CYS A 26 20.215 3.753 -5.452 1.00 1.27 O ATOM 170 CB CYS A 26 17.203 4.467 -4.068 1.00 0.99 C ATOM 171 SG CYS A 26 18.262 3.945 -2.684 1.00 0.92 S ATOM 0 H CYS A 26 16.059 4.595 -6.262 1.00 1.30 H new ATOM 0 HA CYS A 26 18.506 5.599 -5.356 1.00 1.18 H new ATOM 0 HB2 CYS A 26 16.714 5.406 -3.808 1.00 0.99 H new ATOM 0 HB3 CYS A 26 16.416 3.727 -4.213 1.00 0.99 H new ATOM 176 N LEU A 27 18.561 2.328 -5.899 1.00 1.17 N ATOM 177 CA LEU A 27 19.414 1.151 -6.079 1.00 1.26 C ATOM 178 C LEU A 27 20.410 1.303 -7.233 1.00 1.52 C ATOM 179 O LEU A 27 21.591 0.971 -7.085 1.00 1.69 O ATOM 180 CB LEU A 27 18.465 -0.035 -6.269 1.00 1.23 C ATOM 181 CG LEU A 27 18.121 -0.720 -4.943 1.00 1.05 C ATOM 182 CD1 LEU A 27 17.856 0.147 -3.711 1.00 0.85 C ATOM 183 CD2 LEU A 27 16.884 -1.595 -5.151 1.00 1.03 C ATOM 0 H LEU A 27 17.571 2.134 -6.051 1.00 1.17 H new ATOM 0 HA LEU A 27 20.052 1.003 -5.208 1.00 1.26 H new ATOM 0 HB2 LEU A 27 17.548 0.309 -6.747 1.00 1.23 H new ATOM 0 HB3 LEU A 27 18.923 -0.760 -6.942 1.00 1.23 H new ATOM 0 HG LEU A 27 19.040 -1.256 -4.705 1.00 1.05 H new ATOM 0 HD11 LEU A 27 17.628 -0.492 -2.858 1.00 0.85 H new ATOM 0 HD12 LEU A 27 18.740 0.745 -3.490 1.00 0.85 H new ATOM 0 HD13 LEU A 27 17.011 0.807 -3.906 1.00 0.85 H new ATOM 0 HD21 LEU A 27 16.627 -2.090 -4.214 1.00 1.03 H new ATOM 0 HD22 LEU A 27 16.049 -0.974 -5.474 1.00 1.03 H new ATOM 0 HD23 LEU A 27 17.094 -2.346 -5.913 1.00 1.03 H new ATOM 195 N ASP A 28 19.952 1.879 -8.343 1.00 1.61 N ATOM 196 CA ASP A 28 20.829 2.308 -9.446 1.00 1.88 C ATOM 197 C ASP A 28 21.849 3.394 -9.028 1.00 1.92 C ATOM 198 O ASP A 28 22.982 3.367 -9.503 1.00 2.10 O ATOM 199 CB ASP A 28 19.987 2.757 -10.654 1.00 2.07 C ATOM 200 CG ASP A 28 20.851 3.011 -11.898 1.00 2.50 C ATOM 201 OD1 ASP A 28 21.409 2.040 -12.468 1.00 3.51 O ATOM 202 OD2 ASP A 28 20.990 4.183 -12.324 1.00 2.69 O ATOM 0 H ASP A 28 18.963 2.064 -8.509 1.00 1.61 H new ATOM 0 HA ASP A 28 21.425 1.442 -9.735 1.00 1.88 H new ATOM 0 HB2 ASP A 28 19.242 1.994 -10.880 1.00 2.07 H new ATOM 0 HB3 ASP A 28 19.444 3.667 -10.399 1.00 2.07 H new ATOM 207 N GLU A 29 21.512 4.313 -8.113 1.00 1.79 N ATOM 208 CA GLU A 29 22.450 5.298 -7.540 1.00 1.85 C ATOM 209 C GLU A 29 23.567 4.678 -6.671 1.00 1.81 C ATOM 210 O GLU A 29 24.754 4.956 -6.877 1.00 1.99 O ATOM 211 CB GLU A 29 21.651 6.317 -6.699 1.00 1.76 C ATOM 212 CG GLU A 29 21.535 7.708 -7.336 1.00 1.99 C ATOM 213 CD GLU A 29 22.814 8.560 -7.308 1.00 2.60 C ATOM 214 OE1 GLU A 29 23.788 8.222 -6.590 1.00 3.68 O ATOM 215 OE2 GLU A 29 22.858 9.577 -8.046 1.00 2.93 O ATOM 0 H GLU A 29 20.566 4.397 -7.742 1.00 1.79 H new ATOM 0 HA GLU A 29 22.953 5.776 -8.381 1.00 1.85 H new ATOM 0 HB2 GLU A 29 20.649 5.924 -6.529 1.00 1.76 H new ATOM 0 HB3 GLU A 29 22.125 6.416 -5.722 1.00 1.76 H new ATOM 0 HG2 GLU A 29 21.222 7.588 -8.373 1.00 1.99 H new ATOM 0 HG3 GLU A 29 20.743 8.257 -6.826 1.00 1.99 H new ATOM 222 N ASN A 30 23.206 3.844 -5.691 1.00 1.62 N ATOM 223 CA ASN A 30 24.072 3.440 -4.576 1.00 1.63 C ATOM 224 C ASN A 30 24.256 1.912 -4.457 1.00 1.75 C ATOM 225 O ASN A 30 23.755 1.302 -3.515 1.00 1.84 O ATOM 226 CB ASN A 30 23.548 4.107 -3.282 1.00 1.45 C ATOM 227 CG ASN A 30 22.047 3.992 -3.064 1.00 1.24 C ATOM 228 OD1 ASN A 30 21.356 4.986 -2.904 1.00 1.21 O ATOM 229 ND2 ASN A 30 21.503 2.800 -3.054 1.00 1.18 N ATOM 0 H ASN A 30 22.280 3.419 -5.649 1.00 1.62 H new ATOM 0 HA ASN A 30 25.084 3.795 -4.769 1.00 1.63 H new ATOM 0 HB2 ASN A 30 24.059 3.662 -2.429 1.00 1.45 H new ATOM 0 HB3 ASN A 30 23.818 5.163 -3.300 1.00 1.45 H new ATOM 0 HD21 ASN A 30 20.498 2.699 -2.912 1.00 1.18 H new ATOM 0 HD22 ASN A 30 22.085 1.973 -3.188 1.00 1.18 H new ATOM 236 N ASN A 31 24.957 1.280 -5.404 1.00 1.88 N ATOM 237 CA ASN A 31 25.452 -0.108 -5.322 1.00 2.10 C ATOM 238 C ASN A 31 24.427 -1.146 -4.788 1.00 1.97 C ATOM 239 O ASN A 31 24.739 -2.004 -3.953 1.00 2.07 O ATOM 240 CB ASN A 31 26.794 -0.094 -4.571 1.00 2.34 C ATOM 241 CG ASN A 31 27.593 -1.374 -4.738 1.00 3.37 C ATOM 242 OD1 ASN A 31 27.350 -2.194 -5.612 1.00 3.87 O ATOM 243 ND2 ASN A 31 28.584 -1.564 -3.904 1.00 4.20 N ATOM 0 H ASN A 31 25.207 1.733 -6.283 1.00 1.88 H new ATOM 0 HA ASN A 31 25.612 -0.475 -6.336 1.00 2.10 H new ATOM 0 HB2 ASN A 31 27.391 0.747 -4.925 1.00 2.34 H new ATOM 0 HB3 ASN A 31 26.606 0.072 -3.510 1.00 2.34 H new ATOM 0 HD21 ASN A 31 29.161 -2.402 -3.980 1.00 4.20 H new ATOM 0 HD22 ASN A 31 28.779 -0.874 -3.178 1.00 4.20 H new ATOM 250 N TYR A 32 23.174 -1.017 -5.238 1.00 1.82 N ATOM 251 CA TYR A 32 22.021 -1.826 -4.828 1.00 1.68 C ATOM 252 C TYR A 32 21.766 -1.901 -3.301 1.00 1.54 C ATOM 253 O TYR A 32 21.380 -2.943 -2.771 1.00 1.64 O ATOM 254 CB TYR A 32 22.045 -3.183 -5.554 1.00 1.94 C ATOM 255 CG TYR A 32 20.694 -3.583 -6.117 1.00 1.82 C ATOM 256 CD1 TYR A 32 19.682 -4.070 -5.269 1.00 2.84 C ATOM 257 CD2 TYR A 32 20.437 -3.427 -7.494 1.00 2.08 C ATOM 258 CE1 TYR A 32 18.434 -4.441 -5.798 1.00 2.86 C ATOM 259 CE2 TYR A 32 19.190 -3.800 -8.027 1.00 2.34 C ATOM 260 CZ TYR A 32 18.191 -4.322 -7.182 1.00 2.14 C ATOM 261 OH TYR A 32 16.983 -4.669 -7.697 1.00 2.49 O ATOM 0 H TYR A 32 22.924 -0.312 -5.931 1.00 1.82 H new ATOM 0 HA TYR A 32 21.127 -1.295 -5.156 1.00 1.68 H new ATOM 0 HB2 TYR A 32 22.772 -3.141 -6.365 1.00 1.94 H new ATOM 0 HB3 TYR A 32 22.385 -3.953 -4.861 1.00 1.94 H new ATOM 0 HD1 TYR A 32 19.865 -4.159 -4.208 1.00 2.84 H new ATOM 0 HD2 TYR A 32 21.200 -3.020 -8.142 1.00 2.08 H new ATOM 0 HE1 TYR A 32 17.661 -4.817 -5.144 1.00 2.86 H new ATOM 0 HE2 TYR A 32 18.998 -3.686 -9.084 1.00 2.34 H new ATOM 0 HH TYR A 32 16.987 -4.524 -8.666 1.00 2.49 H new ATOM 271 N ASP A 33 21.959 -0.796 -2.572 1.00 1.44 N ATOM 272 CA ASP A 33 21.819 -0.677 -1.108 1.00 1.42 C ATOM 273 C ASP A 33 20.343 -0.638 -0.655 1.00 1.25 C ATOM 274 O ASP A 33 19.827 0.321 -0.070 1.00 1.18 O ATOM 275 CB ASP A 33 22.672 0.491 -0.571 1.00 1.47 C ATOM 276 CG ASP A 33 23.005 0.402 0.925 1.00 1.69 C ATOM 277 OD1 ASP A 33 22.314 -0.307 1.696 1.00 2.41 O ATOM 278 OD2 ASP A 33 24.033 1.008 1.323 1.00 2.63 O ATOM 0 H ASP A 33 22.231 0.087 -3.005 1.00 1.44 H new ATOM 0 HA ASP A 33 22.217 -1.585 -0.654 1.00 1.42 H new ATOM 0 HB2 ASP A 33 23.603 0.533 -1.136 1.00 1.47 H new ATOM 0 HB3 ASP A 33 22.143 1.426 -0.757 1.00 1.47 H new ATOM 283 N ARG A 34 19.644 -1.735 -0.941 1.00 1.28 N ATOM 284 CA ARG A 34 18.260 -2.017 -0.518 1.00 1.27 C ATOM 285 C ARG A 34 18.064 -2.122 0.993 1.00 1.34 C ATOM 286 O ARG A 34 16.939 -2.330 1.427 1.00 1.27 O ATOM 287 CB ARG A 34 17.675 -3.213 -1.299 1.00 1.39 C ATOM 288 CG ARG A 34 18.348 -4.579 -1.077 1.00 1.74 C ATOM 289 CD ARG A 34 17.960 -5.333 0.205 1.00 3.25 C ATOM 290 NE ARG A 34 16.611 -5.928 0.123 1.00 3.89 N ATOM 291 CZ ARG A 34 15.559 -5.678 0.881 1.00 5.44 C ATOM 292 NH1 ARG A 34 15.462 -4.686 1.713 1.00 6.58 N ATOM 293 NH2 ARG A 34 14.524 -6.451 0.807 1.00 6.46 N ATOM 0 H ARG A 34 20.039 -2.491 -1.500 1.00 1.28 H new ATOM 0 HA ARG A 34 17.677 -1.135 -0.784 1.00 1.27 H new ATOM 0 HB2 ARG A 34 16.621 -3.307 -1.038 1.00 1.39 H new ATOM 0 HB3 ARG A 34 17.721 -2.980 -2.363 1.00 1.39 H new ATOM 0 HG2 ARG A 34 18.117 -5.216 -1.931 1.00 1.74 H new ATOM 0 HG3 ARG A 34 19.428 -4.431 -1.072 1.00 1.74 H new ATOM 0 HD2 ARG A 34 18.690 -6.120 0.395 1.00 3.25 H new ATOM 0 HD3 ARG A 34 18.001 -4.648 1.052 1.00 3.25 H new ATOM 0 HE ARG A 34 16.474 -6.621 -0.613 1.00 3.89 H new ATOM 0 HH11 ARG A 34 16.236 -4.030 1.816 1.00 6.58 H new ATOM 0 HH12 ARG A 34 14.612 -4.563 2.263 1.00 6.58 H new ATOM 0 HH21 ARG A 34 14.525 -7.245 0.167 1.00 6.46 H new ATOM 0 HH22 ARG A 34 13.707 -6.266 1.389 1.00 6.46 H new ATOM 307 N GLU A 35 19.106 -1.967 1.809 1.00 1.54 N ATOM 308 CA GLU A 35 18.962 -1.748 3.257 1.00 1.74 C ATOM 309 C GLU A 35 18.886 -0.249 3.608 1.00 1.67 C ATOM 310 O GLU A 35 18.028 0.132 4.410 1.00 1.82 O ATOM 311 CB GLU A 35 20.026 -2.519 4.049 1.00 2.03 C ATOM 312 CG GLU A 35 19.877 -4.034 3.830 1.00 2.17 C ATOM 313 CD GLU A 35 20.745 -4.844 4.797 1.00 2.72 C ATOM 314 OE1 GLU A 35 21.992 -4.868 4.647 1.00 2.76 O ATOM 315 OE2 GLU A 35 20.181 -5.492 5.712 1.00 4.00 O ATOM 0 H GLU A 35 20.075 -1.989 1.490 1.00 1.54 H new ATOM 0 HA GLU A 35 18.003 -2.163 3.567 1.00 1.74 H new ATOM 0 HB2 GLU A 35 21.020 -2.198 3.739 1.00 2.03 H new ATOM 0 HB3 GLU A 35 19.933 -2.289 5.111 1.00 2.03 H new ATOM 0 HG2 GLU A 35 18.832 -4.317 3.957 1.00 2.17 H new ATOM 0 HG3 GLU A 35 20.151 -4.280 2.804 1.00 2.17 H new ATOM 322 N ARG A 36 19.632 0.631 2.917 1.00 1.52 N ATOM 323 CA ARG A 36 19.369 2.090 2.923 1.00 1.47 C ATOM 324 C ARG A 36 18.027 2.462 2.281 1.00 1.26 C ATOM 325 O ARG A 36 17.418 3.455 2.678 1.00 1.58 O ATOM 326 CB ARG A 36 20.514 2.855 2.247 1.00 1.43 C ATOM 327 CG ARG A 36 21.712 3.002 3.194 1.00 1.79 C ATOM 328 CD ARG A 36 22.714 3.987 2.597 1.00 2.76 C ATOM 329 NE ARG A 36 23.757 4.376 3.561 1.00 3.03 N ATOM 330 CZ ARG A 36 24.900 3.773 3.818 1.00 3.09 C ATOM 331 NH1 ARG A 36 25.256 2.628 3.311 1.00 3.44 N ATOM 332 NH2 ARG A 36 25.734 4.350 4.625 1.00 3.65 N ATOM 0 H ARG A 36 20.429 0.359 2.342 1.00 1.52 H new ATOM 0 HA ARG A 36 19.310 2.385 3.971 1.00 1.47 H new ATOM 0 HB2 ARG A 36 20.823 2.330 1.343 1.00 1.43 H new ATOM 0 HB3 ARG A 36 20.166 3.841 1.940 1.00 1.43 H new ATOM 0 HG2 ARG A 36 21.377 3.354 4.170 1.00 1.79 H new ATOM 0 HG3 ARG A 36 22.187 2.033 3.350 1.00 1.79 H new ATOM 0 HD2 ARG A 36 23.182 3.540 1.720 1.00 2.76 H new ATOM 0 HD3 ARG A 36 22.186 4.878 2.257 1.00 2.76 H new ATOM 0 HE ARG A 36 23.570 5.222 4.100 1.00 3.03 H new ATOM 0 HH11 ARG A 36 24.633 2.139 2.669 1.00 3.44 H new ATOM 0 HH12 ARG A 36 26.158 2.220 3.556 1.00 3.44 H new ATOM 0 HH21 ARG A 36 25.498 5.250 5.044 1.00 3.65 H new ATOM 0 HH22 ARG A 36 26.626 3.905 4.841 1.00 3.65 H new ATOM 346 N CYS A 37 17.541 1.662 1.329 1.00 0.91 N ATOM 347 CA CYS A 37 16.246 1.865 0.659 1.00 0.70 C ATOM 348 C CYS A 37 15.182 0.773 0.941 1.00 0.65 C ATOM 349 O CYS A 37 14.243 0.603 0.162 1.00 0.54 O ATOM 350 CB CYS A 37 16.498 2.206 -0.822 1.00 0.56 C ATOM 351 SG CYS A 37 17.112 3.909 -1.008 1.00 0.80 S ATOM 0 H CYS A 37 18.042 0.839 0.993 1.00 0.91 H new ATOM 0 HA CYS A 37 15.751 2.726 1.109 1.00 0.70 H new ATOM 0 HB2 CYS A 37 17.222 1.507 -1.241 1.00 0.56 H new ATOM 0 HB3 CYS A 37 15.574 2.085 -1.388 1.00 0.56 H new ATOM 356 N SER A 38 15.257 0.078 2.080 1.00 0.85 N ATOM 357 CA SER A 38 14.246 -0.898 2.544 1.00 0.85 C ATOM 358 C SER A 38 12.918 -0.236 2.955 1.00 0.86 C ATOM 359 O SER A 38 11.847 -0.826 2.795 1.00 0.88 O ATOM 360 CB SER A 38 14.802 -1.674 3.746 1.00 1.06 C ATOM 361 OG SER A 38 14.176 -2.934 3.835 1.00 2.07 O ATOM 0 H SER A 38 16.040 0.176 2.727 1.00 0.85 H new ATOM 0 HA SER A 38 14.038 -1.563 1.706 1.00 0.85 H new ATOM 0 HB2 SER A 38 15.880 -1.800 3.641 1.00 1.06 H new ATOM 0 HB3 SER A 38 14.635 -1.109 4.663 1.00 1.06 H new ATOM 0 HG SER A 38 14.536 -3.425 4.603 1.00 2.07 H new ATOM 367 N THR A 39 12.965 1.018 3.425 1.00 0.93 N ATOM 368 CA THR A 39 11.791 1.842 3.792 1.00 0.99 C ATOM 369 C THR A 39 10.773 1.967 2.653 1.00 0.88 C ATOM 370 O THR A 39 9.569 1.858 2.872 1.00 0.94 O ATOM 371 CB THR A 39 12.248 3.232 4.280 1.00 1.18 C ATOM 372 OG1 THR A 39 11.153 4.016 4.696 1.00 3.10 O ATOM 373 CG2 THR A 39 13.017 4.073 3.258 1.00 2.29 C ATOM 0 H THR A 39 13.848 1.509 3.567 1.00 0.93 H new ATOM 0 HA THR A 39 11.279 1.328 4.605 1.00 0.99 H new ATOM 0 HB THR A 39 12.926 2.989 5.098 1.00 1.18 H new ATOM 0 HG1 THR A 39 11.474 4.890 5.001 1.00 3.10 H new ATOM 0 HG21 THR A 39 13.290 5.029 3.705 1.00 2.29 H new ATOM 0 HG22 THR A 39 13.920 3.543 2.956 1.00 2.29 H new ATOM 0 HG23 THR A 39 12.389 4.247 2.384 1.00 2.29 H new ATOM 381 N TYR A 40 11.258 2.088 1.417 1.00 0.78 N ATOM 382 CA TYR A 40 10.439 2.103 0.197 1.00 0.74 C ATOM 383 C TYR A 40 9.661 0.792 0.035 1.00 0.73 C ATOM 384 O TYR A 40 8.458 0.804 -0.217 1.00 0.85 O ATOM 385 CB TYR A 40 11.322 2.297 -1.046 1.00 0.64 C ATOM 386 CG TYR A 40 12.107 3.591 -1.121 1.00 0.72 C ATOM 387 CD1 TYR A 40 13.222 3.796 -0.287 1.00 1.87 C ATOM 388 CD2 TYR A 40 11.748 4.579 -2.058 1.00 1.84 C ATOM 389 CE1 TYR A 40 13.939 5.001 -0.342 1.00 2.04 C ATOM 390 CE2 TYR A 40 12.477 5.779 -2.135 1.00 1.83 C ATOM 391 CZ TYR A 40 13.562 6.002 -1.256 1.00 1.07 C ATOM 392 OH TYR A 40 14.230 7.186 -1.246 1.00 1.29 O ATOM 0 H TYR A 40 12.256 2.181 1.228 1.00 0.78 H new ATOM 0 HA TYR A 40 9.738 2.933 0.291 1.00 0.74 H new ATOM 0 HB2 TYR A 40 12.027 1.467 -1.097 1.00 0.64 H new ATOM 0 HB3 TYR A 40 10.687 2.231 -1.930 1.00 0.64 H new ATOM 0 HD1 TYR A 40 13.528 3.021 0.400 1.00 1.87 H new ATOM 0 HD2 TYR A 40 10.910 4.415 -2.719 1.00 1.84 H new ATOM 0 HE1 TYR A 40 14.780 5.160 0.317 1.00 2.04 H new ATOM 0 HE2 TYR A 40 12.209 6.529 -2.864 1.00 1.83 H new ATOM 0 HH TYR A 40 13.858 7.777 -1.934 1.00 1.29 H new ATOM 402 N PHE A 41 10.340 -0.343 0.224 1.00 0.65 N ATOM 403 CA PHE A 41 9.746 -1.674 0.108 1.00 0.71 C ATOM 404 C PHE A 41 8.704 -1.912 1.214 1.00 0.87 C ATOM 405 O PHE A 41 7.635 -2.447 0.934 1.00 1.03 O ATOM 406 CB PHE A 41 10.880 -2.711 0.105 1.00 0.69 C ATOM 407 CG PHE A 41 10.582 -4.119 -0.392 1.00 1.50 C ATOM 408 CD1 PHE A 41 9.311 -4.533 -0.846 1.00 2.95 C ATOM 409 CD2 PHE A 41 11.649 -5.031 -0.420 1.00 2.35 C ATOM 410 CE1 PHE A 41 9.112 -5.851 -1.297 1.00 4.02 C ATOM 411 CE2 PHE A 41 11.454 -6.349 -0.876 1.00 3.43 C ATOM 412 CZ PHE A 41 10.182 -6.760 -1.311 1.00 3.99 C ATOM 0 H PHE A 41 11.331 -0.361 0.465 1.00 0.65 H new ATOM 0 HA PHE A 41 9.197 -1.769 -0.829 1.00 0.71 H new ATOM 0 HB2 PHE A 41 11.692 -2.311 -0.502 1.00 0.69 H new ATOM 0 HB3 PHE A 41 11.255 -2.793 1.125 1.00 0.69 H new ATOM 0 HD1 PHE A 41 8.487 -3.835 -0.847 1.00 2.95 H new ATOM 0 HD2 PHE A 41 12.628 -4.719 -0.089 1.00 2.35 H new ATOM 0 HE1 PHE A 41 8.134 -6.164 -1.633 1.00 4.02 H new ATOM 0 HE2 PHE A 41 12.281 -7.043 -0.892 1.00 3.43 H new ATOM 0 HZ PHE A 41 10.028 -7.772 -1.655 1.00 3.99 H new ATOM 422 N LEU A 42 8.931 -1.404 2.431 1.00 0.91 N ATOM 423 CA LEU A 42 7.921 -1.409 3.495 1.00 1.11 C ATOM 424 C LEU A 42 6.700 -0.553 3.137 1.00 1.18 C ATOM 425 O LEU A 42 5.577 -1.053 3.160 1.00 1.35 O ATOM 426 CB LEU A 42 8.575 -0.991 4.828 1.00 1.21 C ATOM 427 CG LEU A 42 7.582 -0.661 5.960 1.00 1.44 C ATOM 428 CD1 LEU A 42 6.673 -1.828 6.328 1.00 1.63 C ATOM 429 CD2 LEU A 42 8.340 -0.248 7.216 1.00 1.62 C ATOM 0 H LEU A 42 9.817 -0.979 2.705 1.00 0.91 H new ATOM 0 HA LEU A 42 7.536 -2.422 3.610 1.00 1.11 H new ATOM 0 HB2 LEU A 42 9.231 -1.795 5.162 1.00 1.21 H new ATOM 0 HB3 LEU A 42 9.204 -0.119 4.650 1.00 1.21 H new ATOM 0 HG LEU A 42 6.959 0.149 5.581 1.00 1.44 H new ATOM 0 HD11 LEU A 42 6.000 -1.526 7.131 1.00 1.63 H new ATOM 0 HD12 LEU A 42 6.089 -2.123 5.456 1.00 1.63 H new ATOM 0 HD13 LEU A 42 7.279 -2.671 6.660 1.00 1.63 H new ATOM 0 HD21 LEU A 42 7.630 -0.017 8.010 1.00 1.62 H new ATOM 0 HD22 LEU A 42 8.988 -1.064 7.535 1.00 1.62 H new ATOM 0 HD23 LEU A 42 8.945 0.633 7.003 1.00 1.62 H new ATOM 441 N ARG A 43 6.896 0.703 2.728 1.00 1.08 N ATOM 442 CA ARG A 43 5.801 1.591 2.292 1.00 1.18 C ATOM 443 C ARG A 43 5.031 1.002 1.101 1.00 1.24 C ATOM 444 O ARG A 43 3.825 1.196 0.989 1.00 1.42 O ATOM 445 CB ARG A 43 6.372 2.987 1.992 1.00 1.13 C ATOM 446 CG ARG A 43 6.896 3.682 3.262 1.00 1.22 C ATOM 447 CD ARG A 43 7.909 4.811 2.998 1.00 1.32 C ATOM 448 NE ARG A 43 7.360 5.881 2.142 1.00 2.31 N ATOM 449 CZ ARG A 43 8.036 6.665 1.324 1.00 3.23 C ATOM 450 NH1 ARG A 43 9.333 6.742 1.316 1.00 3.58 N ATOM 451 NH2 ARG A 43 7.410 7.412 0.470 1.00 4.46 N ATOM 0 H ARG A 43 7.817 1.139 2.688 1.00 1.08 H new ATOM 0 HA ARG A 43 5.072 1.683 3.097 1.00 1.18 H new ATOM 0 HB2 ARG A 43 7.181 2.899 1.267 1.00 1.13 H new ATOM 0 HB3 ARG A 43 5.599 3.604 1.534 1.00 1.13 H new ATOM 0 HG2 ARG A 43 6.049 4.092 3.813 1.00 1.22 H new ATOM 0 HG3 ARG A 43 7.362 2.935 3.904 1.00 1.22 H new ATOM 0 HD2 ARG A 43 8.226 5.239 3.949 1.00 1.32 H new ATOM 0 HD3 ARG A 43 8.798 4.393 2.525 1.00 1.32 H new ATOM 0 HE ARG A 43 6.352 6.030 2.188 1.00 2.31 H new ATOM 0 HH11 ARG A 43 9.881 6.178 1.965 1.00 3.58 H new ATOM 0 HH12 ARG A 43 9.803 7.366 0.660 1.00 3.58 H new ATOM 0 HH21 ARG A 43 6.391 7.395 0.428 1.00 4.46 H new ATOM 0 HH22 ARG A 43 7.936 8.017 -0.161 1.00 4.46 H new ATOM 465 N TYR A 44 5.702 0.188 0.286 1.00 1.14 N ATOM 466 CA TYR A 44 5.104 -0.594 -0.808 1.00 1.21 C ATOM 467 C TYR A 44 4.329 -1.820 -0.291 1.00 1.31 C ATOM 468 O TYR A 44 3.198 -2.046 -0.731 1.00 1.47 O ATOM 469 CB TYR A 44 6.200 -0.922 -1.838 1.00 1.19 C ATOM 470 CG TYR A 44 5.909 -1.939 -2.930 1.00 1.25 C ATOM 471 CD1 TYR A 44 5.874 -3.319 -2.640 1.00 1.71 C ATOM 472 CD2 TYR A 44 5.776 -1.507 -4.264 1.00 2.71 C ATOM 473 CE1 TYR A 44 5.677 -4.254 -3.677 1.00 1.91 C ATOM 474 CE2 TYR A 44 5.601 -2.440 -5.306 1.00 2.76 C ATOM 475 CZ TYR A 44 5.553 -3.819 -5.014 1.00 1.60 C ATOM 476 OH TYR A 44 5.395 -4.731 -6.007 1.00 1.83 O ATOM 0 H TYR A 44 6.709 0.047 0.368 1.00 1.14 H new ATOM 0 HA TYR A 44 4.342 -0.002 -1.316 1.00 1.21 H new ATOM 0 HB2 TYR A 44 6.483 0.011 -2.325 1.00 1.19 H new ATOM 0 HB3 TYR A 44 7.074 -1.272 -1.288 1.00 1.19 H new ATOM 0 HD1 TYR A 44 5.998 -3.660 -1.623 1.00 1.71 H new ATOM 0 HD2 TYR A 44 5.808 -0.452 -4.491 1.00 2.71 H new ATOM 0 HE1 TYR A 44 5.621 -5.308 -3.447 1.00 1.91 H new ATOM 0 HE2 TYR A 44 5.504 -2.099 -6.326 1.00 2.76 H new ATOM 0 HH TYR A 44 5.324 -4.268 -6.868 1.00 1.83 H new ATOM 486 N LYS A 45 4.849 -2.578 0.682 1.00 1.28 N ATOM 487 CA LYS A 45 4.113 -3.672 1.342 1.00 1.43 C ATOM 488 C LYS A 45 2.869 -3.151 2.066 1.00 1.60 C ATOM 489 O LYS A 45 1.823 -3.795 2.009 1.00 1.80 O ATOM 490 CB LYS A 45 5.046 -4.454 2.289 1.00 1.37 C ATOM 491 CG LYS A 45 4.273 -5.566 3.020 1.00 1.78 C ATOM 492 CD LYS A 45 5.171 -6.534 3.794 1.00 1.79 C ATOM 493 CE LYS A 45 4.263 -7.504 4.559 1.00 3.45 C ATOM 494 NZ LYS A 45 5.023 -8.600 5.191 1.00 3.52 N ATOM 0 H LYS A 45 5.797 -2.452 1.038 1.00 1.28 H new ATOM 0 HA LYS A 45 3.763 -4.363 0.575 1.00 1.43 H new ATOM 0 HB2 LYS A 45 5.868 -4.889 1.720 1.00 1.37 H new ATOM 0 HB3 LYS A 45 5.488 -3.773 3.016 1.00 1.37 H new ATOM 0 HG2 LYS A 45 3.565 -5.110 3.712 1.00 1.78 H new ATOM 0 HG3 LYS A 45 3.689 -6.129 2.292 1.00 1.78 H new ATOM 0 HD2 LYS A 45 5.823 -7.079 3.112 1.00 1.79 H new ATOM 0 HD3 LYS A 45 5.815 -5.989 4.484 1.00 1.79 H new ATOM 0 HE2 LYS A 45 3.713 -6.957 5.325 1.00 3.45 H new ATOM 0 HE3 LYS A 45 3.525 -7.923 3.875 1.00 3.45 H new ATOM 0 HZ1 LYS A 45 4.368 -9.230 5.696 1.00 3.52 H new ATOM 0 HZ2 LYS A 45 5.527 -9.140 4.459 1.00 3.52 H new ATOM 0 HZ3 LYS A 45 5.710 -8.203 5.864 1.00 3.52 H new ATOM 508 N ASN A 46 2.924 -1.958 2.658 1.00 1.57 N ATOM 509 CA ASN A 46 1.784 -1.335 3.337 1.00 1.69 C ATOM 510 C ASN A 46 0.622 -1.079 2.362 1.00 1.76 C ATOM 511 O ASN A 46 -0.534 -1.188 2.760 1.00 1.84 O ATOM 512 CB ASN A 46 2.222 -0.021 4.003 1.00 1.70 C ATOM 513 CG ASN A 46 3.282 -0.195 5.074 1.00 1.66 C ATOM 514 OD1 ASN A 46 3.444 -1.247 5.672 1.00 1.71 O ATOM 515 ND2 ASN A 46 4.025 0.850 5.334 1.00 1.62 N ATOM 0 H ASN A 46 3.770 -1.389 2.681 1.00 1.57 H new ATOM 0 HA ASN A 46 1.429 -2.024 4.104 1.00 1.69 H new ATOM 0 HB2 ASN A 46 2.602 0.654 3.236 1.00 1.70 H new ATOM 0 HB3 ASN A 46 1.349 0.459 4.445 1.00 1.70 H new ATOM 0 HD21 ASN A 46 4.753 0.794 6.046 1.00 1.62 H new ATOM 0 HD22 ASN A 46 3.876 1.721 4.825 1.00 1.62 H new ATOM 522 N CYS A 47 0.901 -0.825 1.076 1.00 1.76 N ATOM 523 CA CYS A 47 -0.139 -0.655 0.062 1.00 1.81 C ATOM 524 C CYS A 47 -0.929 -1.945 -0.197 1.00 1.83 C ATOM 525 O CYS A 47 -2.120 -1.884 -0.498 1.00 2.19 O ATOM 526 CB CYS A 47 0.496 -0.156 -1.244 1.00 1.84 C ATOM 527 SG CYS A 47 1.402 1.412 -1.155 1.00 1.48 S ATOM 0 H CYS A 47 1.850 -0.733 0.715 1.00 1.76 H new ATOM 0 HA CYS A 47 -0.849 0.080 0.441 1.00 1.81 H new ATOM 0 HB2 CYS A 47 1.179 -0.924 -1.607 1.00 1.84 H new ATOM 0 HB3 CYS A 47 -0.293 -0.053 -1.989 1.00 1.84 H new ATOM 532 N ARG A 48 -0.301 -3.115 -0.026 1.00 1.52 N ATOM 533 CA ARG A 48 -1.009 -4.401 0.011 1.00 1.41 C ATOM 534 C ARG A 48 -1.650 -4.611 1.377 1.00 1.23 C ATOM 535 O ARG A 48 -2.864 -4.746 1.463 1.00 1.11 O ATOM 536 CB ARG A 48 -0.059 -5.565 -0.344 1.00 1.47 C ATOM 537 CG ARG A 48 0.610 -5.519 -1.731 1.00 1.74 C ATOM 538 CD ARG A 48 -0.296 -6.007 -2.877 1.00 2.50 C ATOM 539 NE ARG A 48 0.506 -6.523 -4.010 1.00 3.45 N ATOM 540 CZ ARG A 48 0.161 -7.477 -4.862 1.00 4.27 C ATOM 541 NH1 ARG A 48 -1.029 -7.995 -4.907 1.00 4.65 N ATOM 542 NH2 ARG A 48 1.033 -7.949 -5.702 1.00 5.19 N ATOM 0 H ARG A 48 0.709 -3.197 0.090 1.00 1.52 H new ATOM 0 HA ARG A 48 -1.800 -4.382 -0.739 1.00 1.41 H new ATOM 0 HB2 ARG A 48 0.727 -5.604 0.411 1.00 1.47 H new ATOM 0 HB3 ARG A 48 -0.620 -6.496 -0.269 1.00 1.47 H new ATOM 0 HG2 ARG A 48 0.923 -4.496 -1.939 1.00 1.74 H new ATOM 0 HG3 ARG A 48 1.512 -6.130 -1.709 1.00 1.74 H new ATOM 0 HD2 ARG A 48 -0.960 -6.790 -2.511 1.00 2.50 H new ATOM 0 HD3 ARG A 48 -0.928 -5.187 -3.219 1.00 2.50 H new ATOM 0 HE ARG A 48 1.423 -6.098 -4.149 1.00 3.45 H new ATOM 0 HH11 ARG A 48 -1.752 -7.669 -4.266 1.00 4.65 H new ATOM 0 HH12 ARG A 48 -1.241 -8.728 -5.584 1.00 4.65 H new ATOM 0 HH21 ARG A 48 1.986 -7.585 -5.706 1.00 5.19 H new ATOM 0 HH22 ARG A 48 0.765 -8.684 -6.357 1.00 5.19 H new ATOM 556 N ARG A 49 -0.866 -4.565 2.458 1.00 1.26 N ATOM 557 CA ARG A 49 -1.293 -4.897 3.829 1.00 1.15 C ATOM 558 C ARG A 49 -2.475 -4.060 4.327 1.00 0.99 C ATOM 559 O ARG A 49 -3.372 -4.625 4.952 1.00 0.82 O ATOM 560 CB ARG A 49 -0.067 -4.807 4.754 1.00 1.30 C ATOM 561 CG ARG A 49 -0.396 -5.063 6.233 1.00 1.24 C ATOM 562 CD ARG A 49 0.857 -5.396 7.049 1.00 1.57 C ATOM 563 NE ARG A 49 1.889 -4.343 7.008 1.00 2.56 N ATOM 564 CZ ARG A 49 3.175 -4.524 7.248 1.00 3.31 C ATOM 565 NH1 ARG A 49 3.676 -5.657 7.633 1.00 3.33 N ATOM 566 NH2 ARG A 49 4.027 -3.562 7.103 1.00 4.84 N ATOM 0 H ARG A 49 0.114 -4.288 2.406 1.00 1.26 H new ATOM 0 HA ARG A 49 -1.680 -5.916 3.834 1.00 1.15 H new ATOM 0 HB2 ARG A 49 0.680 -5.530 4.426 1.00 1.30 H new ATOM 0 HB3 ARG A 49 0.381 -3.818 4.655 1.00 1.30 H new ATOM 0 HG2 ARG A 49 -0.880 -4.182 6.655 1.00 1.24 H new ATOM 0 HG3 ARG A 49 -1.108 -5.885 6.309 1.00 1.24 H new ATOM 0 HD2 ARG A 49 0.569 -5.570 8.086 1.00 1.57 H new ATOM 0 HD3 ARG A 49 1.285 -6.327 6.677 1.00 1.57 H new ATOM 0 HE ARG A 49 1.585 -3.398 6.775 1.00 2.56 H new ATOM 0 HH11 ARG A 49 3.068 -6.465 7.765 1.00 3.33 H new ATOM 0 HH12 ARG A 49 4.678 -5.740 7.804 1.00 3.33 H new ATOM 0 HH21 ARG A 49 3.710 -2.642 6.798 1.00 4.84 H new ATOM 0 HH22 ARG A 49 5.016 -3.723 7.294 1.00 4.84 H new ATOM 580 N PHE A 50 -2.541 -2.763 4.019 1.00 1.04 N ATOM 581 CA PHE A 50 -3.693 -1.942 4.407 1.00 0.88 C ATOM 582 C PHE A 50 -4.969 -2.430 3.725 1.00 0.77 C ATOM 583 O PHE A 50 -5.954 -2.785 4.374 1.00 0.63 O ATOM 584 CB PHE A 50 -3.444 -0.477 4.035 1.00 0.93 C ATOM 585 CG PHE A 50 -4.558 0.436 4.511 1.00 0.72 C ATOM 586 CD1 PHE A 50 -4.654 0.788 5.871 1.00 1.70 C ATOM 587 CD2 PHE A 50 -5.538 0.882 3.604 1.00 2.18 C ATOM 588 CE1 PHE A 50 -5.731 1.575 6.322 1.00 1.82 C ATOM 589 CE2 PHE A 50 -6.617 1.661 4.055 1.00 2.01 C ATOM 590 CZ PHE A 50 -6.718 2.002 5.414 1.00 0.47 C ATOM 0 H PHE A 50 -1.817 -2.260 3.506 1.00 1.04 H new ATOM 0 HA PHE A 50 -3.820 -2.029 5.486 1.00 0.88 H new ATOM 0 HB2 PHE A 50 -2.499 -0.150 4.469 1.00 0.93 H new ATOM 0 HB3 PHE A 50 -3.344 -0.391 2.953 1.00 0.93 H new ATOM 0 HD1 PHE A 50 -3.901 0.454 6.569 1.00 1.70 H new ATOM 0 HD2 PHE A 50 -5.460 0.625 2.558 1.00 2.18 H new ATOM 0 HE1 PHE A 50 -5.800 1.851 7.364 1.00 1.82 H new ATOM 0 HE2 PHE A 50 -7.369 1.998 3.357 1.00 2.01 H new ATOM 0 HZ PHE A 50 -7.553 2.592 5.762 1.00 0.47 H new ATOM 600 N TRP A 51 -4.923 -2.501 2.396 1.00 0.84 N ATOM 601 CA TRP A 51 -6.109 -2.828 1.609 1.00 0.79 C ATOM 602 C TRP A 51 -6.511 -4.310 1.756 1.00 0.78 C ATOM 603 O TRP A 51 -7.700 -4.602 1.836 1.00 0.68 O ATOM 604 CB TRP A 51 -5.917 -2.313 0.177 1.00 0.92 C ATOM 605 CG TRP A 51 -5.971 -0.805 0.042 1.00 0.92 C ATOM 606 CD1 TRP A 51 -4.964 0.013 -0.357 1.00 1.08 C ATOM 607 CD2 TRP A 51 -7.090 0.096 0.346 1.00 0.80 C ATOM 608 NE1 TRP A 51 -5.414 1.316 -0.439 1.00 1.07 N ATOM 609 CE2 TRP A 51 -6.695 1.433 0.040 1.00 0.90 C ATOM 610 CE3 TRP A 51 -8.387 -0.068 0.887 1.00 0.71 C ATOM 611 CZ2 TRP A 51 -7.526 2.539 0.248 1.00 0.87 C ATOM 612 CZ3 TRP A 51 -9.221 1.043 1.136 1.00 0.76 C ATOM 613 CH2 TRP A 51 -8.790 2.345 0.824 1.00 0.82 C ATOM 0 H TRP A 51 -4.081 -2.337 1.844 1.00 0.84 H new ATOM 0 HA TRP A 51 -6.985 -2.309 1.997 1.00 0.79 H new ATOM 0 HB2 TRP A 51 -4.955 -2.665 -0.197 1.00 0.92 H new ATOM 0 HB3 TRP A 51 -6.686 -2.750 -0.460 1.00 0.92 H new ATOM 0 HD1 TRP A 51 -3.957 -0.309 -0.578 1.00 1.08 H new ATOM 0 HE1 TRP A 51 -4.865 2.092 -0.808 1.00 1.07 H new ATOM 0 HE3 TRP A 51 -8.745 -1.061 1.114 1.00 0.71 H new ATOM 0 HZ2 TRP A 51 -7.198 3.529 -0.031 1.00 0.87 H new ATOM 0 HZ3 TRP A 51 -10.198 0.892 1.570 1.00 0.76 H new ATOM 0 HH2 TRP A 51 -9.429 3.191 1.027 1.00 0.82 H new ATOM 624 N ASN A 52 -5.557 -5.223 1.976 1.00 0.87 N ATOM 625 CA ASN A 52 -5.783 -6.598 2.420 1.00 0.83 C ATOM 626 C ASN A 52 -6.458 -6.669 3.801 1.00 0.70 C ATOM 627 O ASN A 52 -7.358 -7.483 4.000 1.00 0.66 O ATOM 628 CB ASN A 52 -4.422 -7.306 2.480 1.00 0.95 C ATOM 629 CG ASN A 52 -3.820 -7.656 1.132 1.00 1.23 C ATOM 630 OD1 ASN A 52 -4.433 -7.555 0.077 1.00 1.71 O ATOM 631 ND2 ASN A 52 -2.590 -8.108 1.142 1.00 1.29 N ATOM 0 H ASN A 52 -4.568 -5.012 1.843 1.00 0.87 H new ATOM 0 HA ASN A 52 -6.456 -7.082 1.712 1.00 0.83 H new ATOM 0 HB2 ASN A 52 -3.721 -6.668 3.019 1.00 0.95 H new ATOM 0 HB3 ASN A 52 -4.531 -8.222 3.061 1.00 0.95 H new ATOM 0 HD21 ASN A 52 -2.139 -8.378 0.268 1.00 1.29 H new ATOM 0 HD22 ASN A 52 -2.084 -8.190 2.024 1.00 1.29 H new ATOM 638 N SER A 53 -6.080 -5.804 4.748 1.00 0.67 N ATOM 639 CA SER A 53 -6.758 -5.744 6.050 1.00 0.61 C ATOM 640 C SER A 53 -8.210 -5.275 5.894 1.00 0.47 C ATOM 641 O SER A 53 -9.109 -5.886 6.468 1.00 0.49 O ATOM 642 CB SER A 53 -5.994 -4.863 7.046 1.00 0.66 C ATOM 643 OG SER A 53 -4.658 -5.318 7.169 1.00 1.56 O ATOM 0 H SER A 53 -5.314 -5.139 4.640 1.00 0.67 H new ATOM 0 HA SER A 53 -6.774 -6.755 6.458 1.00 0.61 H new ATOM 0 HB2 SER A 53 -6.004 -3.826 6.710 1.00 0.66 H new ATOM 0 HB3 SER A 53 -6.486 -4.888 8.018 1.00 0.66 H new ATOM 0 HG SER A 53 -4.117 -4.944 6.443 1.00 1.56 H new ATOM 649 N ILE A 54 -8.478 -4.276 5.040 1.00 0.42 N ATOM 650 CA ILE A 54 -9.849 -3.836 4.720 1.00 0.38 C ATOM 651 C ILE A 54 -10.661 -4.968 4.062 1.00 0.39 C ATOM 652 O ILE A 54 -11.824 -5.180 4.409 1.00 0.41 O ATOM 653 CB ILE A 54 -9.794 -2.565 3.839 1.00 0.44 C ATOM 654 CG1 ILE A 54 -9.148 -1.366 4.571 1.00 0.46 C ATOM 655 CG2 ILE A 54 -11.178 -2.175 3.295 1.00 0.52 C ATOM 656 CD1 ILE A 54 -9.908 -0.856 5.803 1.00 0.47 C ATOM 0 H ILE A 54 -7.754 -3.750 4.551 1.00 0.42 H new ATOM 0 HA ILE A 54 -10.369 -3.585 5.645 1.00 0.38 H new ATOM 0 HB ILE A 54 -9.157 -2.820 2.992 1.00 0.44 H new ATOM 0 HG12 ILE A 54 -8.142 -1.650 4.879 1.00 0.46 H new ATOM 0 HG13 ILE A 54 -9.045 -0.543 3.863 1.00 0.46 H new ATOM 0 HG21 ILE A 54 -11.089 -1.278 2.683 1.00 0.52 H new ATOM 0 HG22 ILE A 54 -11.573 -2.990 2.689 1.00 0.52 H new ATOM 0 HG23 ILE A 54 -11.855 -1.981 4.127 1.00 0.52 H new ATOM 0 HD11 ILE A 54 -9.370 -0.015 6.240 1.00 0.47 H new ATOM 0 HD12 ILE A 54 -10.906 -0.533 5.507 1.00 0.47 H new ATOM 0 HD13 ILE A 54 -9.989 -1.657 6.538 1.00 0.47 H new ATOM 668 N VAL A 55 -10.032 -5.745 3.178 1.00 0.44 N ATOM 669 CA VAL A 55 -10.608 -6.959 2.570 1.00 0.48 C ATOM 670 C VAL A 55 -11.001 -7.983 3.637 1.00 0.48 C ATOM 671 O VAL A 55 -12.151 -8.420 3.650 1.00 0.50 O ATOM 672 CB VAL A 55 -9.629 -7.546 1.532 1.00 0.59 C ATOM 673 CG1 VAL A 55 -9.893 -9.001 1.128 1.00 0.64 C ATOM 674 CG2 VAL A 55 -9.647 -6.686 0.271 1.00 0.69 C ATOM 0 H VAL A 55 -9.085 -5.548 2.853 1.00 0.44 H new ATOM 0 HA VAL A 55 -11.526 -6.688 2.048 1.00 0.48 H new ATOM 0 HB VAL A 55 -8.658 -7.540 2.027 1.00 0.59 H new ATOM 0 HG11 VAL A 55 -9.150 -9.316 0.395 1.00 0.64 H new ATOM 0 HG12 VAL A 55 -9.828 -9.640 2.008 1.00 0.64 H new ATOM 0 HG13 VAL A 55 -10.889 -9.083 0.693 1.00 0.64 H new ATOM 0 HG21 VAL A 55 -8.955 -7.101 -0.462 1.00 0.69 H new ATOM 0 HG22 VAL A 55 -10.654 -6.673 -0.146 1.00 0.69 H new ATOM 0 HG23 VAL A 55 -9.345 -5.669 0.520 1.00 0.69 H new ATOM 684 N MET A 56 -10.116 -8.321 4.583 1.00 0.53 N ATOM 685 CA MET A 56 -10.440 -9.256 5.673 1.00 0.63 C ATOM 686 C MET A 56 -11.565 -8.737 6.579 1.00 0.65 C ATOM 687 O MET A 56 -12.457 -9.501 6.959 1.00 0.74 O ATOM 688 CB MET A 56 -9.200 -9.559 6.527 1.00 0.74 C ATOM 689 CG MET A 56 -8.120 -10.359 5.793 1.00 0.87 C ATOM 690 SD MET A 56 -8.666 -11.922 5.039 1.00 1.76 S ATOM 691 CE MET A 56 -7.055 -12.570 4.515 1.00 2.68 C ATOM 0 H MET A 56 -9.163 -7.959 4.617 1.00 0.53 H new ATOM 0 HA MET A 56 -10.787 -10.171 5.194 1.00 0.63 H new ATOM 0 HB2 MET A 56 -8.770 -8.619 6.872 1.00 0.74 H new ATOM 0 HB3 MET A 56 -9.508 -10.113 7.414 1.00 0.74 H new ATOM 0 HG2 MET A 56 -7.697 -9.729 5.011 1.00 0.87 H new ATOM 0 HG3 MET A 56 -7.316 -10.578 6.496 1.00 0.87 H new ATOM 0 HE1 MET A 56 -7.192 -13.535 4.027 1.00 2.68 H new ATOM 0 HE2 MET A 56 -6.592 -11.873 3.817 1.00 2.68 H new ATOM 0 HE3 MET A 56 -6.411 -12.693 5.386 1.00 2.68 H new ATOM 701 N GLN A 57 -11.579 -7.437 6.885 1.00 0.62 N ATOM 702 CA GLN A 57 -12.634 -6.835 7.705 1.00 0.75 C ATOM 703 C GLN A 57 -13.984 -6.789 6.975 1.00 0.82 C ATOM 704 O GLN A 57 -15.022 -6.930 7.616 1.00 1.14 O ATOM 705 CB GLN A 57 -12.213 -5.443 8.214 1.00 0.75 C ATOM 706 CG GLN A 57 -11.014 -5.439 9.184 1.00 0.84 C ATOM 707 CD GLN A 57 -11.155 -6.392 10.365 1.00 1.03 C ATOM 708 OE1 GLN A 57 -12.250 -6.723 10.815 1.00 1.71 O ATOM 709 NE2 GLN A 57 -10.064 -6.912 10.880 1.00 1.26 N ATOM 0 H GLN A 57 -10.866 -6.777 6.575 1.00 0.62 H new ATOM 0 HA GLN A 57 -12.774 -7.479 8.573 1.00 0.75 H new ATOM 0 HB2 GLN A 57 -11.969 -4.817 7.356 1.00 0.75 H new ATOM 0 HB3 GLN A 57 -13.066 -4.982 8.712 1.00 0.75 H new ATOM 0 HG2 GLN A 57 -10.113 -5.699 8.629 1.00 0.84 H new ATOM 0 HG3 GLN A 57 -10.874 -4.427 9.564 1.00 0.84 H new ATOM 0 HE21 GLN A 57 -9.150 -6.645 10.515 1.00 1.26 H new ATOM 0 HE22 GLN A 57 -10.131 -7.583 11.645 1.00 1.26 H new ATOM 718 N ARG A 58 -14.011 -6.679 5.643 1.00 0.62 N ATOM 719 CA ARG A 58 -15.224 -6.795 4.803 1.00 0.67 C ATOM 720 C ARG A 58 -15.653 -8.236 4.548 1.00 0.67 C ATOM 721 O ARG A 58 -16.844 -8.511 4.385 1.00 0.73 O ATOM 722 CB ARG A 58 -14.987 -6.023 3.495 1.00 0.69 C ATOM 723 CG ARG A 58 -15.125 -4.518 3.757 1.00 0.97 C ATOM 724 CD ARG A 58 -14.737 -3.683 2.528 1.00 0.93 C ATOM 725 NE ARG A 58 -15.406 -2.369 2.486 1.00 1.07 N ATOM 726 CZ ARG A 58 -15.471 -1.417 3.401 1.00 1.80 C ATOM 727 NH1 ARG A 58 -14.865 -1.442 4.554 1.00 2.89 N ATOM 728 NH2 ARG A 58 -16.190 -0.376 3.122 1.00 1.96 N ATOM 0 H ARG A 58 -13.168 -6.502 5.096 1.00 0.62 H new ATOM 0 HA ARG A 58 -16.060 -6.355 5.347 1.00 0.67 H new ATOM 0 HB2 ARG A 58 -13.994 -6.245 3.104 1.00 0.69 H new ATOM 0 HB3 ARG A 58 -15.706 -6.339 2.739 1.00 0.69 H new ATOM 0 HG2 ARG A 58 -16.153 -4.292 4.039 1.00 0.97 H new ATOM 0 HG3 ARG A 58 -14.494 -4.237 4.600 1.00 0.97 H new ATOM 0 HD2 ARG A 58 -13.657 -3.534 2.523 1.00 0.93 H new ATOM 0 HD3 ARG A 58 -14.986 -4.240 1.625 1.00 0.93 H new ATOM 0 HE ARG A 58 -15.895 -2.163 1.615 1.00 1.07 H new ATOM 0 HH11 ARG A 58 -14.285 -2.242 4.808 1.00 2.89 H new ATOM 0 HH12 ARG A 58 -14.970 -0.662 5.203 1.00 2.89 H new ATOM 0 HH21 ARG A 58 -16.676 -0.317 2.227 1.00 1.96 H new ATOM 0 HH22 ARG A 58 -16.270 0.384 3.797 1.00 1.96 H new ATOM 742 N ARG A 59 -14.712 -9.177 4.596 1.00 0.67 N ATOM 743 CA ARG A 59 -14.967 -10.619 4.462 1.00 0.77 C ATOM 744 C ARG A 59 -15.714 -11.210 5.660 1.00 0.88 C ATOM 745 O ARG A 59 -16.354 -12.251 5.505 1.00 0.99 O ATOM 746 CB ARG A 59 -13.653 -11.340 4.113 1.00 0.81 C ATOM 747 CG ARG A 59 -13.879 -12.818 3.766 1.00 0.94 C ATOM 748 CD ARG A 59 -12.639 -13.422 3.111 1.00 1.08 C ATOM 749 NE ARG A 59 -12.803 -14.868 2.884 1.00 1.53 N ATOM 750 CZ ARG A 59 -12.006 -15.644 2.178 1.00 1.93 C ATOM 751 NH1 ARG A 59 -10.912 -15.216 1.620 1.00 1.97 N ATOM 752 NH2 ARG A 59 -12.293 -16.900 2.009 1.00 2.53 N ATOM 0 H ARG A 59 -13.725 -8.958 4.732 1.00 0.67 H new ATOM 0 HA ARG A 59 -15.657 -10.780 3.634 1.00 0.77 H new ATOM 0 HB2 ARG A 59 -13.178 -10.839 3.270 1.00 0.81 H new ATOM 0 HB3 ARG A 59 -12.965 -11.267 4.956 1.00 0.81 H new ATOM 0 HG2 ARG A 59 -14.124 -13.374 4.671 1.00 0.94 H new ATOM 0 HG3 ARG A 59 -14.732 -12.911 3.094 1.00 0.94 H new ATOM 0 HD2 ARG A 59 -12.447 -12.922 2.161 1.00 1.08 H new ATOM 0 HD3 ARG A 59 -11.769 -13.248 3.744 1.00 1.08 H new ATOM 0 HE ARG A 59 -13.613 -15.312 3.316 1.00 1.53 H new ATOM 0 HH11 ARG A 59 -10.637 -14.239 1.719 1.00 1.97 H new ATOM 0 HH12 ARG A 59 -10.329 -15.858 1.083 1.00 1.97 H new ATOM 0 HH21 ARG A 59 -13.139 -17.290 2.424 1.00 2.53 H new ATOM 0 HH22 ARG A 59 -11.672 -17.496 1.461 1.00 2.53 H new ATOM 766 N LYS A 60 -15.770 -10.506 6.802 1.00 0.90 N ATOM 767 CA LYS A 60 -16.554 -10.904 7.989 1.00 1.07 C ATOM 768 C LYS A 60 -18.026 -11.217 7.697 1.00 1.18 C ATOM 769 O LYS A 60 -18.589 -12.072 8.379 1.00 1.32 O ATOM 770 CB LYS A 60 -16.427 -9.846 9.105 1.00 1.16 C ATOM 771 CG LYS A 60 -17.342 -8.621 8.951 1.00 1.25 C ATOM 772 CD LYS A 60 -17.063 -7.606 10.064 1.00 1.41 C ATOM 773 CE LYS A 60 -18.018 -6.412 9.969 1.00 1.63 C ATOM 774 NZ LYS A 60 -17.569 -5.290 10.825 1.00 1.79 N ATOM 0 H LYS A 60 -15.265 -9.630 6.932 1.00 0.90 H new ATOM 0 HA LYS A 60 -16.119 -11.844 8.328 1.00 1.07 H new ATOM 0 HB2 LYS A 60 -16.642 -10.322 10.062 1.00 1.16 H new ATOM 0 HB3 LYS A 60 -15.393 -9.505 9.144 1.00 1.16 H new ATOM 0 HG2 LYS A 60 -17.180 -8.158 7.978 1.00 1.25 H new ATOM 0 HG3 LYS A 60 -18.386 -8.932 8.986 1.00 1.25 H new ATOM 0 HD2 LYS A 60 -17.172 -8.087 11.036 1.00 1.41 H new ATOM 0 HD3 LYS A 60 -16.032 -7.258 9.994 1.00 1.41 H new ATOM 0 HE2 LYS A 60 -18.083 -6.078 8.933 1.00 1.63 H new ATOM 0 HE3 LYS A 60 -19.020 -6.721 10.268 1.00 1.63 H new ATOM 0 HZ1 LYS A 60 -18.237 -4.498 10.738 1.00 1.79 H new ATOM 0 HZ2 LYS A 60 -17.531 -5.603 11.816 1.00 1.79 H new ATOM 0 HZ3 LYS A 60 -16.623 -4.980 10.523 1.00 1.79 H new ATOM 788 N ASN A 61 -18.635 -10.569 6.694 1.00 1.18 N ATOM 789 CA ASN A 61 -20.024 -10.820 6.281 1.00 1.34 C ATOM 790 C ASN A 61 -20.172 -11.706 5.023 1.00 1.22 C ATOM 791 O ASN A 61 -21.260 -12.225 4.769 1.00 1.33 O ATOM 792 CB ASN A 61 -20.761 -9.480 6.163 1.00 1.60 C ATOM 793 CG ASN A 61 -21.160 -8.948 7.526 1.00 2.02 C ATOM 794 OD1 ASN A 61 -21.985 -9.528 8.222 1.00 2.35 O ATOM 795 ND2 ASN A 61 -20.567 -7.863 7.948 1.00 2.17 N ATOM 0 H ASN A 61 -18.172 -9.848 6.140 1.00 1.18 H new ATOM 0 HA ASN A 61 -20.494 -11.421 7.059 1.00 1.34 H new ATOM 0 HB2 ASN A 61 -20.122 -8.754 5.660 1.00 1.60 H new ATOM 0 HB3 ASN A 61 -21.650 -9.605 5.545 1.00 1.60 H new ATOM 0 HD21 ASN A 61 -20.788 -7.486 8.870 1.00 2.17 H new ATOM 0 HD22 ASN A 61 -19.883 -7.393 7.356 1.00 2.17 H new ATOM 802 N GLY A 62 -19.094 -11.920 4.260 1.00 1.07 N ATOM 803 CA GLY A 62 -19.008 -12.928 3.195 1.00 1.03 C ATOM 804 C GLY A 62 -19.821 -12.652 1.922 1.00 1.15 C ATOM 805 O GLY A 62 -20.125 -13.599 1.196 1.00 1.29 O ATOM 0 H GLY A 62 -18.234 -11.383 4.369 1.00 1.07 H new ATOM 0 HA2 GLY A 62 -17.961 -13.038 2.914 1.00 1.03 H new ATOM 0 HA3 GLY A 62 -19.330 -13.885 3.605 1.00 1.03 H new ATOM 809 N VAL A 63 -20.224 -11.403 1.655 1.00 1.19 N ATOM 810 CA VAL A 63 -21.261 -11.068 0.661 1.00 1.36 C ATOM 811 C VAL A 63 -20.828 -10.056 -0.411 1.00 1.31 C ATOM 812 O VAL A 63 -21.130 -10.257 -1.591 1.00 1.56 O ATOM 813 CB VAL A 63 -22.551 -10.653 1.404 1.00 1.61 C ATOM 814 CG1 VAL A 63 -22.369 -9.506 2.411 1.00 1.67 C ATOM 815 CG2 VAL A 63 -23.668 -10.277 0.434 1.00 1.87 C ATOM 0 H VAL A 63 -19.837 -10.585 2.126 1.00 1.19 H new ATOM 0 HA VAL A 63 -21.454 -11.966 0.075 1.00 1.36 H new ATOM 0 HB VAL A 63 -22.823 -11.543 1.971 1.00 1.61 H new ATOM 0 HG11 VAL A 63 -23.325 -9.282 2.884 1.00 1.67 H new ATOM 0 HG12 VAL A 63 -21.647 -9.802 3.173 1.00 1.67 H new ATOM 0 HG13 VAL A 63 -22.005 -8.620 1.891 1.00 1.67 H new ATOM 0 HG21 VAL A 63 -24.557 -9.991 0.996 1.00 1.87 H new ATOM 0 HG22 VAL A 63 -23.346 -9.440 -0.185 1.00 1.87 H new ATOM 0 HG23 VAL A 63 -23.900 -11.131 -0.203 1.00 1.87 H new ATOM 825 N LYS A 64 -20.122 -8.978 -0.052 1.00 1.25 N ATOM 826 CA LYS A 64 -19.732 -7.914 -1.005 1.00 1.24 C ATOM 827 C LYS A 64 -18.452 -8.241 -1.788 1.00 1.15 C ATOM 828 O LYS A 64 -17.692 -9.108 -1.349 1.00 1.09 O ATOM 829 CB LYS A 64 -19.638 -6.557 -0.278 1.00 1.24 C ATOM 830 CG LYS A 64 -18.509 -6.450 0.761 1.00 1.14 C ATOM 831 CD LYS A 64 -18.136 -4.998 1.093 1.00 1.20 C ATOM 832 CE LYS A 64 -19.372 -4.108 1.284 1.00 1.39 C ATOM 833 NZ LYS A 64 -19.016 -2.735 1.690 1.00 1.90 N ATOM 0 H LYS A 64 -19.802 -8.812 0.902 1.00 1.25 H new ATOM 0 HA LYS A 64 -20.517 -7.850 -1.758 1.00 1.24 H new ATOM 0 HB2 LYS A 64 -19.501 -5.772 -1.022 1.00 1.24 H new ATOM 0 HB3 LYS A 64 -20.588 -6.362 0.219 1.00 1.24 H new ATOM 0 HG2 LYS A 64 -18.814 -6.959 1.675 1.00 1.14 H new ATOM 0 HG3 LYS A 64 -17.627 -6.969 0.386 1.00 1.14 H new ATOM 0 HD2 LYS A 64 -17.533 -4.979 2.001 1.00 1.20 H new ATOM 0 HD3 LYS A 64 -17.519 -4.592 0.292 1.00 1.20 H new ATOM 0 HE2 LYS A 64 -19.940 -4.074 0.354 1.00 1.39 H new ATOM 0 HE3 LYS A 64 -20.023 -4.550 2.038 1.00 1.39 H new ATOM 0 HZ1 LYS A 64 -19.816 -2.098 1.499 1.00 1.90 H new ATOM 0 HZ2 LYS A 64 -18.796 -2.719 2.706 1.00 1.90 H new ATOM 0 HZ3 LYS A 64 -18.185 -2.418 1.151 1.00 1.90 H new ATOM 847 N PRO A 65 -18.137 -7.522 -2.884 1.00 1.20 N ATOM 848 CA PRO A 65 -16.748 -7.390 -3.313 1.00 1.14 C ATOM 849 C PRO A 65 -15.954 -6.761 -2.158 1.00 0.99 C ATOM 850 O PRO A 65 -16.221 -5.636 -1.732 1.00 1.00 O ATOM 851 CB PRO A 65 -16.785 -6.511 -4.565 1.00 1.28 C ATOM 852 CG PRO A 65 -18.024 -5.645 -4.353 1.00 1.36 C ATOM 853 CD PRO A 65 -18.978 -6.612 -3.655 1.00 1.34 C ATOM 0 HA PRO A 65 -16.262 -8.336 -3.554 1.00 1.14 H new ATOM 0 HB2 PRO A 65 -15.883 -5.906 -4.658 1.00 1.28 H new ATOM 0 HB3 PRO A 65 -16.863 -7.109 -5.473 1.00 1.28 H new ATOM 0 HG2 PRO A 65 -17.809 -4.771 -3.739 1.00 1.36 H new ATOM 0 HG3 PRO A 65 -18.432 -5.280 -5.296 1.00 1.36 H new ATOM 0 HD2 PRO A 65 -19.670 -6.076 -3.006 1.00 1.34 H new ATOM 0 HD3 PRO A 65 -19.580 -7.158 -4.381 1.00 1.34 H new ATOM 861 N PHE A 66 -15.036 -7.541 -1.593 1.00 0.93 N ATOM 862 CA PHE A 66 -14.276 -7.183 -0.396 1.00 0.82 C ATOM 863 C PHE A 66 -13.257 -6.081 -0.680 1.00 0.79 C ATOM 864 O PHE A 66 -13.096 -5.167 0.126 1.00 0.78 O ATOM 865 CB PHE A 66 -13.561 -8.433 0.121 1.00 0.79 C ATOM 866 CG PHE A 66 -14.434 -9.649 0.387 1.00 0.82 C ATOM 867 CD1 PHE A 66 -15.675 -9.531 1.041 1.00 1.98 C ATOM 868 CD2 PHE A 66 -14.001 -10.914 -0.054 1.00 1.77 C ATOM 869 CE1 PHE A 66 -16.485 -10.667 1.230 1.00 1.96 C ATOM 870 CE2 PHE A 66 -14.795 -12.053 0.165 1.00 1.85 C ATOM 871 CZ PHE A 66 -16.042 -11.928 0.797 1.00 0.94 C ATOM 0 H PHE A 66 -14.794 -8.460 -1.962 1.00 0.93 H new ATOM 0 HA PHE A 66 -14.968 -6.800 0.354 1.00 0.82 H new ATOM 0 HB2 PHE A 66 -12.796 -8.713 -0.603 1.00 0.79 H new ATOM 0 HB3 PHE A 66 -13.045 -8.174 1.046 1.00 0.79 H new ATOM 0 HD1 PHE A 66 -16.006 -8.567 1.398 1.00 1.98 H new ATOM 0 HD2 PHE A 66 -13.054 -11.010 -0.563 1.00 1.77 H new ATOM 0 HE1 PHE A 66 -17.448 -10.569 1.709 1.00 1.96 H new ATOM 0 HE2 PHE A 66 -14.446 -13.024 -0.153 1.00 1.85 H new ATOM 0 HZ PHE A 66 -16.660 -12.800 0.950 1.00 0.94 H new ATOM 881 N MET A 67 -12.609 -6.166 -1.845 1.00 0.85 N ATOM 882 CA MET A 67 -11.839 -5.077 -2.449 1.00 0.90 C ATOM 883 C MET A 67 -12.740 -3.837 -2.644 1.00 0.99 C ATOM 884 O MET A 67 -13.648 -3.870 -3.482 1.00 1.11 O ATOM 885 CB MET A 67 -11.253 -5.537 -3.793 1.00 1.09 C ATOM 886 CG MET A 67 -9.962 -6.338 -3.607 1.00 1.08 C ATOM 887 SD MET A 67 -8.587 -5.351 -2.947 1.00 1.01 S ATOM 888 CE MET A 67 -7.319 -6.640 -2.867 1.00 1.12 C ATOM 0 H MET A 67 -12.606 -7.016 -2.408 1.00 0.85 H new ATOM 0 HA MET A 67 -11.018 -4.806 -1.785 1.00 0.90 H new ATOM 0 HB2 MET A 67 -11.987 -6.148 -4.319 1.00 1.09 H new ATOM 0 HB3 MET A 67 -11.054 -4.667 -4.419 1.00 1.09 H new ATOM 0 HG2 MET A 67 -10.156 -7.173 -2.934 1.00 1.08 H new ATOM 0 HG3 MET A 67 -9.666 -6.763 -4.566 1.00 1.08 H new ATOM 0 HE1 MET A 67 -6.484 -6.292 -2.260 1.00 1.12 H new ATOM 0 HE2 MET A 67 -7.742 -7.540 -2.420 1.00 1.12 H new ATOM 0 HE3 MET A 67 -6.966 -6.866 -3.873 1.00 1.12 H new ATOM 898 N PRO A 68 -12.527 -2.744 -1.887 1.00 0.96 N ATOM 899 CA PRO A 68 -13.489 -1.645 -1.782 1.00 1.08 C ATOM 900 C PRO A 68 -13.643 -0.839 -3.081 1.00 1.29 C ATOM 901 O PRO A 68 -12.669 -0.583 -3.791 1.00 1.36 O ATOM 902 CB PRO A 68 -12.998 -0.786 -0.611 1.00 1.01 C ATOM 903 CG PRO A 68 -11.506 -1.092 -0.529 1.00 0.89 C ATOM 904 CD PRO A 68 -11.421 -2.546 -0.964 1.00 0.83 C ATOM 0 HA PRO A 68 -14.494 -2.028 -1.606 1.00 1.08 H new ATOM 0 HB2 PRO A 68 -13.179 0.274 -0.790 1.00 1.01 H new ATOM 0 HB3 PRO A 68 -13.510 -1.045 0.316 1.00 1.01 H new ATOM 0 HG2 PRO A 68 -10.926 -0.442 -1.184 1.00 0.89 H new ATOM 0 HG3 PRO A 68 -11.122 -0.952 0.481 1.00 0.89 H new ATOM 0 HD2 PRO A 68 -10.466 -2.756 -1.446 1.00 0.83 H new ATOM 0 HD3 PRO A 68 -11.500 -3.216 -0.108 1.00 0.83 H new ATOM 912 N THR A 69 -14.872 -0.396 -3.354 1.00 1.44 N ATOM 913 CA THR A 69 -15.240 0.476 -4.479 1.00 1.66 C ATOM 914 C THR A 69 -14.825 1.927 -4.236 1.00 1.68 C ATOM 915 O THR A 69 -14.420 2.289 -3.133 1.00 1.52 O ATOM 916 CB THR A 69 -16.751 0.388 -4.768 1.00 1.87 C ATOM 917 OG1 THR A 69 -17.506 0.790 -3.644 1.00 1.93 O ATOM 918 CG2 THR A 69 -17.202 -1.023 -5.139 1.00 1.85 C ATOM 0 H THR A 69 -15.674 -0.644 -2.775 1.00 1.44 H new ATOM 0 HA THR A 69 -14.695 0.121 -5.354 1.00 1.66 H new ATOM 0 HB THR A 69 -16.923 1.053 -5.614 1.00 1.87 H new ATOM 0 HG1 THR A 69 -17.573 0.045 -3.011 1.00 1.93 H new ATOM 0 HG21 THR A 69 -18.275 -1.023 -5.331 1.00 1.85 H new ATOM 0 HG22 THR A 69 -16.673 -1.351 -6.034 1.00 1.85 H new ATOM 0 HG23 THR A 69 -16.981 -1.704 -4.317 1.00 1.85 H new ATOM 926 N ALA A 70 -14.919 2.789 -5.247 1.00 1.92 N ATOM 927 CA ALA A 70 -14.335 4.136 -5.208 1.00 1.97 C ATOM 928 C ALA A 70 -14.849 5.007 -4.045 1.00 1.96 C ATOM 929 O ALA A 70 -14.041 5.658 -3.380 1.00 1.88 O ATOM 930 CB ALA A 70 -14.567 4.823 -6.556 1.00 2.23 C ATOM 0 H ALA A 70 -15.402 2.576 -6.120 1.00 1.92 H new ATOM 0 HA ALA A 70 -13.267 4.019 -5.023 1.00 1.97 H new ATOM 0 HB1 ALA A 70 -14.136 5.824 -6.533 1.00 2.23 H new ATOM 0 HB2 ALA A 70 -14.093 4.242 -7.347 1.00 2.23 H new ATOM 0 HB3 ALA A 70 -15.637 4.894 -6.749 1.00 2.23 H new ATOM 936 N ALA A 71 -16.155 4.987 -3.747 1.00 2.06 N ATOM 937 CA ALA A 71 -16.717 5.734 -2.617 1.00 2.09 C ATOM 938 C ALA A 71 -16.336 5.139 -1.244 1.00 1.87 C ATOM 939 O ALA A 71 -16.214 5.892 -0.275 1.00 1.85 O ATOM 940 CB ALA A 71 -18.237 5.825 -2.778 1.00 2.34 C ATOM 0 H ALA A 71 -16.846 4.457 -4.278 1.00 2.06 H new ATOM 0 HA ALA A 71 -16.283 6.734 -2.633 1.00 2.09 H new ATOM 0 HB1 ALA A 71 -18.659 6.380 -1.940 1.00 2.34 H new ATOM 0 HB2 ALA A 71 -18.474 6.339 -3.710 1.00 2.34 H new ATOM 0 HB3 ALA A 71 -18.661 4.821 -2.799 1.00 2.34 H new ATOM 946 N GLU A 72 -16.096 3.822 -1.162 1.00 1.71 N ATOM 947 CA GLU A 72 -15.546 3.152 0.011 1.00 1.48 C ATOM 948 C GLU A 72 -14.082 3.546 0.197 1.00 1.27 C ATOM 949 O GLU A 72 -13.728 4.063 1.250 1.00 1.19 O ATOM 950 CB GLU A 72 -15.672 1.631 -0.124 1.00 1.40 C ATOM 951 CG GLU A 72 -17.117 1.157 -0.228 1.00 1.67 C ATOM 952 CD GLU A 72 -17.135 -0.361 -0.405 1.00 1.71 C ATOM 953 OE1 GLU A 72 -17.121 -1.089 0.617 1.00 2.53 O ATOM 954 OE2 GLU A 72 -17.113 -0.827 -1.569 1.00 1.93 O ATOM 0 H GLU A 72 -16.286 3.182 -1.933 1.00 1.71 H new ATOM 0 HA GLU A 72 -16.114 3.465 0.887 1.00 1.48 H new ATOM 0 HB2 GLU A 72 -15.124 1.304 -1.008 1.00 1.40 H new ATOM 0 HB3 GLU A 72 -15.201 1.156 0.737 1.00 1.40 H new ATOM 0 HG2 GLU A 72 -17.670 1.437 0.669 1.00 1.67 H new ATOM 0 HG3 GLU A 72 -17.611 1.640 -1.071 1.00 1.67 H new ATOM 961 N ARG A 73 -13.241 3.377 -0.835 1.00 1.23 N ATOM 962 CA ARG A 73 -11.830 3.798 -0.817 1.00 1.12 C ATOM 963 C ARG A 73 -11.689 5.254 -0.379 1.00 1.17 C ATOM 964 O ARG A 73 -10.855 5.551 0.469 1.00 1.06 O ATOM 965 CB ARG A 73 -11.185 3.571 -2.199 1.00 1.20 C ATOM 966 CG ARG A 73 -10.893 2.086 -2.462 1.00 1.71 C ATOM 967 CD ARG A 73 -10.296 1.843 -3.858 1.00 1.90 C ATOM 968 NE ARG A 73 -9.076 1.010 -3.807 1.00 2.43 N ATOM 969 CZ ARG A 73 -8.954 -0.284 -4.046 1.00 3.85 C ATOM 970 NH1 ARG A 73 -9.949 -1.081 -4.300 1.00 4.99 N ATOM 971 NH2 ARG A 73 -7.766 -0.805 -4.038 1.00 4.70 N ATOM 0 H ARG A 73 -13.523 2.941 -1.713 1.00 1.23 H new ATOM 0 HA ARG A 73 -11.303 3.185 -0.085 1.00 1.12 H new ATOM 0 HB2 ARG A 73 -11.848 3.953 -2.975 1.00 1.20 H new ATOM 0 HB3 ARG A 73 -10.257 4.140 -2.264 1.00 1.20 H new ATOM 0 HG2 ARG A 73 -10.202 1.715 -1.705 1.00 1.71 H new ATOM 0 HG3 ARG A 73 -11.815 1.514 -2.360 1.00 1.71 H new ATOM 0 HD2 ARG A 73 -11.040 1.357 -4.490 1.00 1.90 H new ATOM 0 HD3 ARG A 73 -10.061 2.801 -4.322 1.00 1.90 H new ATOM 0 HE ARG A 73 -8.216 1.497 -3.554 1.00 2.43 H new ATOM 0 HH11 ARG A 73 -10.901 -0.716 -4.324 1.00 4.99 H new ATOM 0 HH12 ARG A 73 -9.777 -2.071 -4.475 1.00 4.99 H new ATOM 0 HH21 ARG A 73 -6.953 -0.218 -3.850 1.00 4.70 H new ATOM 0 HH22 ARG A 73 -7.645 -1.801 -4.220 1.00 4.70 H new ATOM 985 N ASP A 74 -12.564 6.122 -0.880 1.00 1.36 N ATOM 986 CA ASP A 74 -12.676 7.525 -0.485 1.00 1.47 C ATOM 987 C ASP A 74 -13.021 7.712 1.005 1.00 1.41 C ATOM 988 O ASP A 74 -12.252 8.341 1.730 1.00 1.34 O ATOM 989 CB ASP A 74 -13.721 8.177 -1.397 1.00 1.72 C ATOM 990 CG ASP A 74 -13.984 9.631 -1.047 1.00 1.95 C ATOM 991 OD1 ASP A 74 -13.225 10.513 -1.512 1.00 1.69 O ATOM 992 OD2 ASP A 74 -14.951 9.901 -0.299 1.00 3.12 O ATOM 0 H ASP A 74 -13.239 5.859 -1.598 1.00 1.36 H new ATOM 0 HA ASP A 74 -11.706 8.008 -0.604 1.00 1.47 H new ATOM 0 HB2 ASP A 74 -13.384 8.113 -2.432 1.00 1.72 H new ATOM 0 HB3 ASP A 74 -14.654 7.618 -1.330 1.00 1.72 H new ATOM 997 N GLU A 75 -14.131 7.152 1.504 1.00 1.47 N ATOM 998 CA GLU A 75 -14.527 7.337 2.913 1.00 1.47 C ATOM 999 C GLU A 75 -13.556 6.669 3.910 1.00 1.29 C ATOM 1000 O GLU A 75 -13.414 7.116 5.050 1.00 1.30 O ATOM 1001 CB GLU A 75 -15.994 6.911 3.128 1.00 1.61 C ATOM 1002 CG GLU A 75 -16.230 5.394 3.103 1.00 1.56 C ATOM 1003 CD GLU A 75 -17.701 4.989 3.284 1.00 1.59 C ATOM 1004 OE1 GLU A 75 -18.626 5.576 2.671 1.00 1.87 O ATOM 1005 OE2 GLU A 75 -17.971 4.033 4.048 1.00 2.70 O ATOM 0 H GLU A 75 -14.769 6.571 0.960 1.00 1.47 H new ATOM 0 HA GLU A 75 -14.459 8.403 3.130 1.00 1.47 H new ATOM 0 HB2 GLU A 75 -16.335 7.303 4.086 1.00 1.61 H new ATOM 0 HB3 GLU A 75 -16.610 7.374 2.357 1.00 1.61 H new ATOM 0 HG2 GLU A 75 -15.868 4.996 2.155 1.00 1.56 H new ATOM 0 HG3 GLU A 75 -15.636 4.931 3.891 1.00 1.56 H new ATOM 1012 N ILE A 76 -12.846 5.627 3.473 1.00 1.14 N ATOM 1013 CA ILE A 76 -11.831 4.905 4.248 1.00 0.95 C ATOM 1014 C ILE A 76 -10.524 5.704 4.305 1.00 0.83 C ATOM 1015 O ILE A 76 -9.984 5.914 5.388 1.00 0.78 O ATOM 1016 CB ILE A 76 -11.637 3.494 3.650 1.00 0.87 C ATOM 1017 CG1 ILE A 76 -12.911 2.644 3.868 1.00 0.98 C ATOM 1018 CG2 ILE A 76 -10.413 2.800 4.263 1.00 0.72 C ATOM 1019 CD1 ILE A 76 -13.048 1.483 2.876 1.00 0.97 C ATOM 0 H ILE A 76 -12.966 5.247 2.534 1.00 1.14 H new ATOM 0 HA ILE A 76 -12.167 4.788 5.278 1.00 0.95 H new ATOM 0 HB ILE A 76 -11.462 3.596 2.579 1.00 0.87 H new ATOM 0 HG12 ILE A 76 -12.903 2.246 4.883 1.00 0.98 H new ATOM 0 HG13 ILE A 76 -13.787 3.288 3.785 1.00 0.98 H new ATOM 0 HG21 ILE A 76 -10.299 1.809 3.825 1.00 0.72 H new ATOM 0 HG22 ILE A 76 -9.520 3.391 4.060 1.00 0.72 H new ATOM 0 HG23 ILE A 76 -10.549 2.707 5.340 1.00 0.72 H new ATOM 0 HD11 ILE A 76 -13.963 0.930 3.087 1.00 0.97 H new ATOM 0 HD12 ILE A 76 -13.088 1.875 1.860 1.00 0.97 H new ATOM 0 HD13 ILE A 76 -12.191 0.817 2.975 1.00 0.97 H new ATOM 1031 N LEU A 77 -10.029 6.216 3.174 1.00 0.83 N ATOM 1032 CA LEU A 77 -8.852 7.095 3.146 1.00 0.77 C ATOM 1033 C LEU A 77 -9.100 8.405 3.903 1.00 0.81 C ATOM 1034 O LEU A 77 -8.189 8.917 4.560 1.00 0.78 O ATOM 1035 CB LEU A 77 -8.483 7.395 1.694 1.00 0.85 C ATOM 1036 CG LEU A 77 -7.706 6.261 0.999 1.00 0.85 C ATOM 1037 CD1 LEU A 77 -7.694 6.564 -0.492 1.00 1.03 C ATOM 1038 CD2 LEU A 77 -6.251 6.134 1.482 1.00 0.79 C ATOM 0 H LEU A 77 -10.430 6.035 2.254 1.00 0.83 H new ATOM 0 HA LEU A 77 -8.031 6.580 3.644 1.00 0.77 H new ATOM 0 HB2 LEU A 77 -9.395 7.595 1.132 1.00 0.85 H new ATOM 0 HB3 LEU A 77 -7.884 8.305 1.663 1.00 0.85 H new ATOM 0 HG LEU A 77 -8.202 5.320 1.236 1.00 0.85 H new ATOM 0 HD11 LEU A 77 -7.150 5.779 -1.018 1.00 1.03 H new ATOM 0 HD12 LEU A 77 -8.718 6.607 -0.863 1.00 1.03 H new ATOM 0 HD13 LEU A 77 -7.205 7.523 -0.665 1.00 1.03 H new ATOM 0 HD21 LEU A 77 -5.762 5.317 0.952 1.00 0.79 H new ATOM 0 HD22 LEU A 77 -5.719 7.065 1.284 1.00 0.79 H new ATOM 0 HD23 LEU A 77 -6.240 5.930 2.553 1.00 0.79 H new ATOM 1050 N ARG A 78 -10.331 8.922 3.860 1.00 0.92 N ATOM 1051 CA ARG A 78 -10.769 10.065 4.682 1.00 1.01 C ATOM 1052 C ARG A 78 -10.822 9.705 6.168 1.00 1.03 C ATOM 1053 O ARG A 78 -10.423 10.517 7.000 1.00 1.10 O ATOM 1054 CB ARG A 78 -12.125 10.609 4.201 1.00 1.20 C ATOM 1055 CG ARG A 78 -12.026 11.350 2.858 1.00 1.27 C ATOM 1056 CD ARG A 78 -13.423 11.736 2.354 1.00 1.72 C ATOM 1057 NE ARG A 78 -13.410 12.074 0.924 1.00 2.04 N ATOM 1058 CZ ARG A 78 -13.208 13.227 0.319 1.00 2.75 C ATOM 1059 NH1 ARG A 78 -13.026 14.352 0.941 1.00 3.40 N ATOM 1060 NH2 ARG A 78 -13.187 13.237 -0.974 1.00 3.79 N ATOM 0 H ARG A 78 -11.063 8.559 3.249 1.00 0.92 H new ATOM 0 HA ARG A 78 -10.026 10.853 4.561 1.00 1.01 H new ATOM 0 HB2 ARG A 78 -12.829 9.783 4.104 1.00 1.20 H new ATOM 0 HB3 ARG A 78 -12.528 11.285 4.955 1.00 1.20 H new ATOM 0 HG2 ARG A 78 -11.414 12.245 2.974 1.00 1.27 H new ATOM 0 HG3 ARG A 78 -11.529 10.717 2.122 1.00 1.27 H new ATOM 0 HD2 ARG A 78 -14.113 10.910 2.527 1.00 1.72 H new ATOM 0 HD3 ARG A 78 -13.794 12.587 2.926 1.00 1.72 H new ATOM 0 HE ARG A 78 -13.586 11.288 0.298 1.00 2.04 H new ATOM 0 HH11 ARG A 78 -13.034 14.378 1.961 1.00 3.40 H new ATOM 0 HH12 ARG A 78 -12.875 15.210 0.410 1.00 3.40 H new ATOM 0 HH21 ARG A 78 -13.324 12.370 -1.493 1.00 3.79 H new ATOM 0 HH22 ARG A 78 -13.033 14.112 -1.475 1.00 3.79 H new ATOM 1074 N ALA A 79 -11.226 8.478 6.505 1.00 1.01 N ATOM 1075 CA ALA A 79 -11.192 7.977 7.884 1.00 1.07 C ATOM 1076 C ALA A 79 -9.770 7.715 8.425 1.00 0.97 C ATOM 1077 O ALA A 79 -9.538 7.874 9.624 1.00 1.10 O ATOM 1078 CB ALA A 79 -12.086 6.741 7.988 1.00 1.15 C ATOM 0 H ALA A 79 -11.586 7.803 5.831 1.00 1.01 H new ATOM 0 HA ALA A 79 -11.580 8.765 8.529 1.00 1.07 H new ATOM 0 HB1 ALA A 79 -12.066 6.363 9.010 1.00 1.15 H new ATOM 0 HB2 ALA A 79 -13.108 7.008 7.720 1.00 1.15 H new ATOM 0 HB3 ALA A 79 -11.722 5.970 7.309 1.00 1.15 H new ATOM 1084 N VAL A 80 -8.788 7.404 7.569 1.00 0.81 N ATOM 1085 CA VAL A 80 -7.361 7.446 7.933 1.00 0.79 C ATOM 1086 C VAL A 80 -6.920 8.903 8.105 1.00 0.86 C ATOM 1087 O VAL A 80 -6.228 9.243 9.068 1.00 0.95 O ATOM 1088 CB VAL A 80 -6.505 6.730 6.865 1.00 0.68 C ATOM 1089 CG1 VAL A 80 -5.007 6.818 7.160 1.00 0.81 C ATOM 1090 CG2 VAL A 80 -6.848 5.242 6.776 1.00 0.66 C ATOM 0 H VAL A 80 -8.957 7.116 6.605 1.00 0.81 H new ATOM 0 HA VAL A 80 -7.216 6.921 8.877 1.00 0.79 H new ATOM 0 HB VAL A 80 -6.733 7.241 5.930 1.00 0.68 H new ATOM 0 HG11 VAL A 80 -4.451 6.299 6.379 1.00 0.81 H new ATOM 0 HG12 VAL A 80 -4.702 7.864 7.188 1.00 0.81 H new ATOM 0 HG13 VAL A 80 -4.798 6.354 8.124 1.00 0.81 H new ATOM 0 HG21 VAL A 80 -6.227 4.770 6.015 1.00 0.66 H new ATOM 0 HG22 VAL A 80 -6.664 4.768 7.740 1.00 0.66 H new ATOM 0 HG23 VAL A 80 -7.899 5.126 6.510 1.00 0.66 H new ATOM 1100 N GLY A 81 -7.337 9.769 7.176 1.00 0.84 N ATOM 1101 CA GLY A 81 -7.031 11.201 7.135 1.00 0.91 C ATOM 1102 C GLY A 81 -5.632 11.512 6.592 1.00 0.91 C ATOM 1103 O GLY A 81 -5.140 12.637 6.711 1.00 1.02 O ATOM 0 H GLY A 81 -7.925 9.476 6.396 1.00 0.84 H new ATOM 0 HA2 GLY A 81 -7.773 11.705 6.516 1.00 0.91 H new ATOM 0 HA3 GLY A 81 -7.122 11.613 8.140 1.00 0.91 H new ATOM 1107 N ASN A 82 -4.972 10.484 6.058 1.00 0.89 N ATOM 1108 CA ASN A 82 -3.607 10.490 5.539 1.00 0.96 C ATOM 1109 C ASN A 82 -3.419 9.335 4.529 1.00 0.97 C ATOM 1110 O ASN A 82 -4.341 8.552 4.280 1.00 0.99 O ATOM 1111 CB ASN A 82 -2.648 10.367 6.748 1.00 1.03 C ATOM 1112 CG ASN A 82 -1.181 10.606 6.427 1.00 1.18 C ATOM 1113 OD1 ASN A 82 -0.820 11.213 5.423 1.00 1.80 O ATOM 1114 ND2 ASN A 82 -0.290 10.123 7.251 1.00 1.45 N ATOM 0 H ASN A 82 -5.407 9.565 5.972 1.00 0.89 H new ATOM 0 HA ASN A 82 -3.392 11.414 5.002 1.00 0.96 H new ATOM 0 HB2 ASN A 82 -2.958 11.078 7.513 1.00 1.03 H new ATOM 0 HB3 ASN A 82 -2.754 9.371 7.177 1.00 1.03 H new ATOM 0 HD21 ASN A 82 0.704 10.251 7.060 1.00 1.45 H new ATOM 0 HD22 ASN A 82 -0.588 9.618 8.086 1.00 1.45 H new ATOM 1121 N MET A 83 -2.221 9.202 3.965 1.00 1.03 N ATOM 1122 CA MET A 83 -1.775 8.074 3.160 1.00 1.06 C ATOM 1123 C MET A 83 -1.468 6.867 4.074 1.00 1.08 C ATOM 1124 O MET A 83 -0.647 7.003 4.990 1.00 1.21 O ATOM 1125 CB MET A 83 -0.535 8.539 2.375 1.00 1.22 C ATOM 1126 CG MET A 83 -0.227 7.717 1.125 1.00 1.34 C ATOM 1127 SD MET A 83 -1.037 8.295 -0.395 1.00 1.38 S ATOM 1128 CE MET A 83 -2.636 7.453 -0.304 1.00 1.18 C ATOM 0 H MET A 83 -1.500 9.917 4.064 1.00 1.03 H new ATOM 0 HA MET A 83 -2.544 7.748 2.460 1.00 1.06 H new ATOM 0 HB2 MET A 83 -0.675 9.580 2.084 1.00 1.22 H new ATOM 0 HB3 MET A 83 0.330 8.507 3.037 1.00 1.22 H new ATOM 0 HG2 MET A 83 0.851 7.716 0.966 1.00 1.34 H new ATOM 0 HG3 MET A 83 -0.523 6.684 1.306 1.00 1.34 H new ATOM 0 HE1 MET A 83 -3.110 7.464 -1.286 1.00 1.18 H new ATOM 0 HE2 MET A 83 -2.486 6.421 0.015 1.00 1.18 H new ATOM 0 HE3 MET A 83 -3.277 7.965 0.414 1.00 1.18 H new ATOM 1138 N PRO A 84 -2.052 5.670 3.840 1.00 1.04 N ATOM 1139 CA PRO A 84 -1.800 4.489 4.669 1.00 1.11 C ATOM 1140 C PRO A 84 -0.430 3.846 4.402 1.00 1.26 C ATOM 1141 O PRO A 84 -0.098 2.826 5.006 1.00 1.43 O ATOM 1142 CB PRO A 84 -2.970 3.541 4.384 1.00 1.05 C ATOM 1143 CG PRO A 84 -3.426 3.884 2.965 1.00 1.01 C ATOM 1144 CD PRO A 84 -3.018 5.356 2.797 1.00 0.99 C ATOM 0 HA PRO A 84 -1.750 4.752 5.726 1.00 1.11 H new ATOM 0 HB2 PRO A 84 -2.659 2.499 4.457 1.00 1.05 H new ATOM 0 HB3 PRO A 84 -3.777 3.684 5.103 1.00 1.05 H new ATOM 0 HG2 PRO A 84 -2.942 3.247 2.224 1.00 1.01 H new ATOM 0 HG3 PRO A 84 -4.501 3.751 2.847 1.00 1.01 H new ATOM 0 HD2 PRO A 84 -2.584 5.522 1.811 1.00 0.99 H new ATOM 0 HD3 PRO A 84 -3.890 6.006 2.875 1.00 0.99 H new ATOM 1152 N TYR A 85 0.342 4.434 3.484 1.00 1.27 N ATOM 1153 CA TYR A 85 1.646 3.949 3.023 1.00 1.46 C ATOM 1154 C TYR A 85 2.780 4.326 4.002 1.00 1.42 C ATOM 1155 O TYR A 85 3.159 5.522 4.061 1.00 1.96 O ATOM 1156 CB TYR A 85 1.902 4.477 1.596 1.00 1.67 C ATOM 1157 CG TYR A 85 0.806 4.432 0.526 1.00 1.53 C ATOM 1158 CD1 TYR A 85 -0.405 3.706 0.646 1.00 1.80 C ATOM 1159 CD2 TYR A 85 1.019 5.207 -0.629 1.00 2.55 C ATOM 1160 CE1 TYR A 85 -1.397 3.787 -0.363 1.00 1.93 C ATOM 1161 CE2 TYR A 85 0.073 5.232 -1.665 1.00 2.56 C ATOM 1162 CZ TYR A 85 -1.133 4.516 -1.547 1.00 1.69 C ATOM 1163 OH TYR A 85 -2.019 4.560 -2.578 1.00 1.91 O ATOM 0 H TYR A 85 0.063 5.299 3.021 1.00 1.27 H new ATOM 0 HA TYR A 85 1.634 2.859 2.995 1.00 1.46 H new ATOM 0 HB2 TYR A 85 2.211 5.518 1.692 1.00 1.67 H new ATOM 0 HB3 TYR A 85 2.756 3.926 1.201 1.00 1.67 H new ATOM 0 HD1 TYR A 85 -0.573 3.086 1.514 1.00 1.80 H new ATOM 0 HD2 TYR A 85 1.923 5.791 -0.719 1.00 2.55 H new ATOM 0 HE1 TYR A 85 -2.349 3.295 -0.229 1.00 1.93 H new ATOM 0 HE2 TYR A 85 0.272 5.805 -2.559 1.00 2.56 H new ATOM 0 HH TYR A 85 -1.654 5.114 -3.300 1.00 1.91 H new