USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 72 MET CE :methyl 160:sc= 0 (180deg=-0.0775) USER MOD Set 1.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 8 THR OG1 : rot -74:sc= 1.05 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.534 USER MOD Single : A 11 SER OG : rot 67:sc= 0.829 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= 0.31 K(o=0.31,f=-1.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.502) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 178:sc= 0 (180deg=-0.00481) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -153:sc= -0.139 (180deg=-0.827) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 74 ASN : amide:sc= -0.238 K(o=-0.24,f=-7.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 78:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.391 5.476 6.127 1.00 1.10 N ATOM 13 CA GLY A 2 8.936 5.342 5.990 1.00 0.75 C ATOM 14 C GLY A 2 8.198 5.001 7.293 1.00 0.65 C ATOM 15 O GLY A 2 6.980 5.145 7.360 1.00 0.67 O ATOM 0 HA2 GLY A 2 8.534 6.275 5.594 1.00 0.75 H new ATOM 0 HA3 GLY A 2 8.724 4.566 5.254 1.00 0.75 H new ATOM 19 N GLU A 3 8.906 4.543 8.328 1.00 0.68 N ATOM 20 CA GLU A 3 8.316 3.936 9.532 1.00 0.70 C ATOM 21 C GLU A 3 7.382 4.889 10.309 1.00 0.76 C ATOM 22 O GLU A 3 6.262 4.499 10.653 1.00 0.87 O ATOM 23 CB GLU A 3 9.472 3.392 10.388 1.00 0.89 C ATOM 24 CG GLU A 3 9.042 2.588 11.616 1.00 1.33 C ATOM 25 CD GLU A 3 10.263 1.975 12.315 1.00 2.24 C ATOM 26 OE1 GLU A 3 11.214 2.726 12.650 1.00 2.82 O ATOM 27 OE2 GLU A 3 10.286 0.736 12.532 1.00 3.16 O ATOM 0 H GLU A 3 9.925 4.583 8.357 1.00 0.68 H new ATOM 0 HA GLU A 3 7.655 3.120 9.240 1.00 0.70 H new ATOM 0 HB2 GLU A 3 10.103 2.761 9.762 1.00 0.89 H new ATOM 0 HB3 GLU A 3 10.086 4.230 10.717 1.00 0.89 H new ATOM 0 HG2 GLU A 3 8.505 3.234 12.310 1.00 1.33 H new ATOM 0 HG3 GLU A 3 8.353 1.798 11.317 1.00 1.33 H new ATOM 34 N GLN A 4 7.773 6.154 10.520 1.00 0.86 N ATOM 35 CA GLN A 4 6.893 7.169 11.132 1.00 1.08 C ATOM 36 C GLN A 4 5.814 7.722 10.183 1.00 0.98 C ATOM 37 O GLN A 4 4.751 8.155 10.639 1.00 1.10 O ATOM 38 CB GLN A 4 7.722 8.304 11.755 1.00 1.40 C ATOM 39 CG GLN A 4 8.408 7.826 13.042 1.00 2.32 C ATOM 40 CD GLN A 4 9.081 8.948 13.823 1.00 2.70 C ATOM 41 OE1 GLN A 4 9.639 9.895 13.275 1.00 2.62 O ATOM 42 NE2 GLN A 4 9.062 8.883 15.135 1.00 3.97 N ATOM 0 H GLN A 4 8.699 6.504 10.275 1.00 0.86 H new ATOM 0 HA GLN A 4 6.345 6.653 11.920 1.00 1.08 H new ATOM 0 HB2 GLN A 4 8.472 8.648 11.042 1.00 1.40 H new ATOM 0 HB3 GLN A 4 7.077 9.155 11.974 1.00 1.40 H new ATOM 0 HG2 GLN A 4 7.669 7.342 13.680 1.00 2.32 H new ATOM 0 HG3 GLN A 4 9.153 7.072 12.789 1.00 2.32 H new ATOM 0 HE21 GLN A 4 8.601 8.101 15.600 1.00 3.97 H new ATOM 0 HE22 GLN A 4 9.508 9.615 15.688 1.00 3.97 H new ATOM 51 N ILE A 5 6.014 7.646 8.863 1.00 0.82 N ATOM 52 CA ILE A 5 4.968 7.977 7.878 1.00 0.77 C ATOM 53 C ILE A 5 3.861 6.913 7.950 1.00 0.73 C ATOM 54 O ILE A 5 2.680 7.250 8.005 1.00 0.80 O ATOM 55 CB ILE A 5 5.547 8.129 6.449 1.00 0.75 C ATOM 56 CG1 ILE A 5 6.770 9.078 6.424 1.00 0.82 C ATOM 57 CG2 ILE A 5 4.449 8.625 5.489 1.00 0.81 C ATOM 58 CD1 ILE A 5 7.422 9.240 5.044 1.00 0.85 C ATOM 0 H ILE A 5 6.898 7.356 8.445 1.00 0.82 H new ATOM 0 HA ILE A 5 4.538 8.948 8.124 1.00 0.77 H new ATOM 0 HB ILE A 5 5.894 7.150 6.118 1.00 0.75 H new ATOM 0 HG12 ILE A 5 6.460 10.059 6.783 1.00 0.82 H new ATOM 0 HG13 ILE A 5 7.518 8.705 7.124 1.00 0.82 H new ATOM 0 HG21 ILE A 5 4.863 8.730 4.486 1.00 0.81 H new ATOM 0 HG22 ILE A 5 3.630 7.906 5.470 1.00 0.81 H new ATOM 0 HG23 ILE A 5 4.076 9.591 5.830 1.00 0.81 H new ATOM 0 HD11 ILE A 5 8.270 9.921 5.120 1.00 0.85 H new ATOM 0 HD12 ILE A 5 7.767 8.269 4.689 1.00 0.85 H new ATOM 0 HD13 ILE A 5 6.693 9.645 4.342 1.00 0.85 H new ATOM 70 N PHE A 6 4.225 5.634 8.080 1.00 0.66 N ATOM 71 CA PHE A 6 3.271 4.550 8.336 1.00 0.64 C ATOM 72 C PHE A 6 2.545 4.713 9.687 1.00 0.70 C ATOM 73 O PHE A 6 1.326 4.522 9.771 1.00 0.84 O ATOM 74 CB PHE A 6 3.997 3.200 8.230 1.00 0.63 C ATOM 75 CG PHE A 6 3.048 2.032 8.394 1.00 0.78 C ATOM 76 CD1 PHE A 6 2.302 1.577 7.293 1.00 1.64 C ATOM 77 CD2 PHE A 6 2.818 1.484 9.669 1.00 1.25 C ATOM 78 CE1 PHE A 6 1.294 0.615 7.477 1.00 1.82 C ATOM 79 CE2 PHE A 6 1.823 0.512 9.849 1.00 1.41 C ATOM 80 CZ PHE A 6 1.054 0.084 8.754 1.00 1.29 C ATOM 0 H PHE A 6 5.193 5.320 8.010 1.00 0.66 H new ATOM 0 HA PHE A 6 2.489 4.591 7.578 1.00 0.64 H new ATOM 0 HB2 PHE A 6 4.494 3.130 7.262 1.00 0.63 H new ATOM 0 HB3 PHE A 6 4.774 3.145 8.992 1.00 0.63 H new ATOM 0 HD1 PHE A 6 2.503 1.966 6.306 1.00 1.64 H new ATOM 0 HD2 PHE A 6 3.409 1.812 10.511 1.00 1.25 H new ATOM 0 HE1 PHE A 6 0.704 0.284 6.635 1.00 1.82 H new ATOM 0 HE2 PHE A 6 1.648 0.093 10.829 1.00 1.41 H new ATOM 0 HZ PHE A 6 0.278 -0.654 8.895 1.00 1.29 H new ATOM 90 N ARG A 7 3.265 5.137 10.734 1.00 0.69 N ATOM 91 CA ARG A 7 2.725 5.388 12.089 1.00 0.81 C ATOM 92 C ARG A 7 1.704 6.537 12.159 1.00 0.95 C ATOM 93 O ARG A 7 0.924 6.587 13.109 1.00 1.09 O ATOM 94 CB ARG A 7 3.924 5.673 13.016 1.00 0.85 C ATOM 95 CG ARG A 7 3.666 5.573 14.528 1.00 1.09 C ATOM 96 CD ARG A 7 3.331 4.146 14.980 1.00 2.24 C ATOM 97 NE ARG A 7 3.335 4.032 16.446 1.00 2.66 N ATOM 98 CZ ARG A 7 4.405 3.774 17.220 1.00 3.15 C ATOM 99 NH1 ARG A 7 5.626 3.579 16.697 1.00 3.65 N ATOM 100 NH2 ARG A 7 4.248 3.711 18.549 1.00 3.96 N ATOM 0 H ARG A 7 4.266 5.322 10.667 1.00 0.69 H new ATOM 0 HA ARG A 7 2.169 4.504 12.401 1.00 0.81 H new ATOM 0 HB2 ARG A 7 4.724 4.978 12.761 1.00 0.85 H new ATOM 0 HB3 ARG A 7 4.291 6.676 12.799 1.00 0.85 H new ATOM 0 HG2 ARG A 7 4.547 5.922 15.066 1.00 1.09 H new ATOM 0 HG3 ARG A 7 2.844 6.237 14.797 1.00 1.09 H new ATOM 0 HD2 ARG A 7 2.352 3.861 14.594 1.00 2.24 H new ATOM 0 HD3 ARG A 7 4.055 3.450 14.558 1.00 2.24 H new ATOM 0 HE ARG A 7 2.442 4.161 16.921 1.00 2.66 H new ATOM 0 HH11 ARG A 7 5.761 3.625 15.687 1.00 3.65 H new ATOM 0 HH12 ARG A 7 6.418 3.385 17.310 1.00 3.65 H new ATOM 0 HH21 ARG A 7 3.327 3.858 18.961 1.00 3.96 H new ATOM 0 HH22 ARG A 7 5.050 3.516 19.149 1.00 3.96 H new ATOM 114 N THR A 8 1.706 7.440 11.171 1.00 1.02 N ATOM 115 CA THR A 8 0.836 8.633 11.109 1.00 1.19 C ATOM 116 C THR A 8 -0.237 8.579 10.013 1.00 1.24 C ATOM 117 O THR A 8 -1.381 8.953 10.274 1.00 1.62 O ATOM 118 CB THR A 8 1.667 9.920 10.968 1.00 1.26 C ATOM 119 OG1 THR A 8 2.606 9.825 9.918 1.00 1.30 O ATOM 120 CG2 THR A 8 2.445 10.252 12.240 1.00 1.39 C ATOM 0 H THR A 8 2.329 7.364 10.367 1.00 1.02 H new ATOM 0 HA THR A 8 0.302 8.640 12.059 1.00 1.19 H new ATOM 0 HB THR A 8 0.941 10.706 10.761 1.00 1.26 H new ATOM 0 HG1 THR A 8 3.344 9.241 10.191 1.00 1.30 H new ATOM 0 HG21 THR A 8 3.015 11.169 12.089 1.00 1.39 H new ATOM 0 HG22 THR A 8 1.748 10.390 13.067 1.00 1.39 H new ATOM 0 HG23 THR A 8 3.127 9.435 12.473 1.00 1.39 H new ATOM 128 N ARG A 9 0.087 8.107 8.798 1.00 0.98 N ATOM 129 CA ARG A 9 -0.865 8.013 7.670 1.00 1.11 C ATOM 130 C ARG A 9 -1.635 6.688 7.597 1.00 1.07 C ATOM 131 O ARG A 9 -2.707 6.654 6.990 1.00 1.29 O ATOM 132 CB ARG A 9 -0.155 8.295 6.336 1.00 1.43 C ATOM 133 CG ARG A 9 0.435 9.712 6.270 1.00 1.28 C ATOM 134 CD ARG A 9 0.840 10.061 4.831 1.00 1.71 C ATOM 135 NE ARG A 9 1.423 11.408 4.733 1.00 1.69 N ATOM 136 CZ ARG A 9 0.738 12.568 4.701 1.00 1.97 C ATOM 137 NH1 ARG A 9 -0.601 12.604 4.799 1.00 2.66 N ATOM 138 NH2 ARG A 9 1.413 13.717 4.572 1.00 2.79 N ATOM 0 H ARG A 9 1.023 7.776 8.565 1.00 0.98 H new ATOM 0 HA ARG A 9 -1.616 8.780 7.860 1.00 1.11 H new ATOM 0 HB2 ARG A 9 0.642 7.566 6.192 1.00 1.43 H new ATOM 0 HB3 ARG A 9 -0.862 8.161 5.517 1.00 1.43 H new ATOM 0 HG2 ARG A 9 -0.297 10.434 6.633 1.00 1.28 H new ATOM 0 HG3 ARG A 9 1.303 9.781 6.925 1.00 1.28 H new ATOM 0 HD2 ARG A 9 1.560 9.327 4.469 1.00 1.71 H new ATOM 0 HD3 ARG A 9 -0.034 9.996 4.183 1.00 1.71 H new ATOM 0 HE ARG A 9 2.440 11.470 4.685 1.00 1.69 H new ATOM 0 HH11 ARG A 9 -1.128 11.737 4.901 1.00 2.66 H new ATOM 0 HH12 ARG A 9 -1.091 13.498 4.771 1.00 2.66 H new ATOM 0 HH21 ARG A 9 2.430 13.705 4.500 1.00 2.79 H new ATOM 0 HH22 ARG A 9 0.910 14.604 4.546 1.00 2.79 H new ATOM 152 N CYS A 10 -1.087 5.588 8.117 1.00 0.93 N ATOM 153 CA CYS A 10 -1.482 4.236 7.679 1.00 0.92 C ATOM 154 C CYS A 10 -1.948 3.286 8.789 1.00 0.93 C ATOM 155 O CYS A 10 -2.751 2.389 8.516 1.00 1.08 O ATOM 156 CB CYS A 10 -0.303 3.581 6.955 1.00 1.00 C ATOM 157 SG CYS A 10 0.527 4.558 5.664 1.00 1.07 S ATOM 0 H CYS A 10 -0.369 5.600 8.841 1.00 0.93 H new ATOM 0 HA CYS A 10 -2.347 4.390 7.034 1.00 0.92 H new ATOM 0 HB2 CYS A 10 0.442 3.307 7.702 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -0.657 2.655 6.502 1.00 1.00 H new ATOM 0 HG CYS A 10 1.500 3.864 5.153 1.00 1.07 H new ATOM 162 N SER A 11 -1.479 3.472 10.024 1.00 0.95 N ATOM 163 CA SER A 11 -1.722 2.561 11.155 1.00 1.05 C ATOM 164 C SER A 11 -3.176 2.588 11.660 1.00 1.10 C ATOM 165 O SER A 11 -3.624 1.645 12.317 1.00 1.97 O ATOM 166 CB SER A 11 -0.724 2.854 12.283 1.00 1.21 C ATOM 167 OG SER A 11 0.597 2.670 11.811 1.00 1.98 O ATOM 0 H SER A 11 -0.906 4.277 10.276 1.00 0.95 H new ATOM 0 HA SER A 11 -1.564 1.545 10.793 1.00 1.05 H new ATOM 0 HB2 SER A 11 -0.854 3.876 12.640 1.00 1.21 H new ATOM 0 HB3 SER A 11 -0.913 2.194 13.130 1.00 1.21 H new ATOM 0 HG SER A 11 0.801 3.351 11.136 1.00 1.98 H new ATOM 173 N SER A 12 -3.961 3.602 11.267 1.00 1.19 N ATOM 174 CA SER A 12 -5.418 3.676 11.464 1.00 1.45 C ATOM 175 C SER A 12 -6.177 2.455 10.922 1.00 1.14 C ATOM 176 O SER A 12 -7.225 2.105 11.471 1.00 1.34 O ATOM 177 CB SER A 12 -5.981 4.923 10.773 1.00 2.00 C ATOM 178 OG SER A 12 -5.525 6.117 11.379 1.00 2.79 O ATOM 0 H SER A 12 -3.587 4.421 10.787 1.00 1.19 H new ATOM 0 HA SER A 12 -5.566 3.712 12.543 1.00 1.45 H new ATOM 0 HB2 SER A 12 -5.692 4.917 9.722 1.00 2.00 H new ATOM 0 HB3 SER A 12 -7.070 4.894 10.804 1.00 2.00 H new ATOM 0 HG SER A 12 -5.905 6.888 10.909 1.00 2.79 H new ATOM 184 N CYS A 13 -5.663 1.790 9.878 1.00 0.84 N ATOM 185 CA CYS A 13 -6.321 0.645 9.220 1.00 0.72 C ATOM 186 C CYS A 13 -5.416 -0.583 9.014 1.00 0.74 C ATOM 187 O CYS A 13 -5.875 -1.575 8.442 1.00 1.06 O ATOM 188 CB CYS A 13 -6.865 1.072 7.854 1.00 0.77 C ATOM 189 SG CYS A 13 -7.991 2.501 7.818 1.00 0.72 S ATOM 0 H CYS A 13 -4.766 2.033 9.458 1.00 0.84 H new ATOM 0 HA CYS A 13 -7.117 0.343 9.901 1.00 0.72 H new ATOM 0 HB2 CYS A 13 -6.017 1.294 7.207 1.00 0.77 H new ATOM 0 HB3 CYS A 13 -7.386 0.220 7.416 1.00 0.77 H new ATOM 0 HG CYS A 13 -8.358 2.734 6.593 1.00 0.72 H new ATOM 194 N HIS A 14 -4.146 -0.526 9.429 1.00 0.70 N ATOM 195 CA HIS A 14 -3.133 -1.552 9.157 1.00 0.73 C ATOM 196 C HIS A 14 -2.104 -1.711 10.290 1.00 0.74 C ATOM 197 O HIS A 14 -2.047 -0.933 11.241 1.00 0.96 O ATOM 198 CB HIS A 14 -2.373 -1.172 7.873 1.00 1.01 C ATOM 199 CG HIS A 14 -3.176 -1.193 6.616 1.00 0.61 C ATOM 200 ND1 HIS A 14 -3.853 -2.259 6.087 1.00 1.85 N ATOM 201 CD2 HIS A 14 -3.196 -0.186 5.707 1.00 0.86 C ATOM 202 CE1 HIS A 14 -4.275 -1.895 4.865 1.00 2.05 C ATOM 203 NE2 HIS A 14 -3.903 -0.624 4.576 1.00 0.73 N ATOM 0 H HIS A 14 -3.785 0.255 9.977 1.00 0.70 H new ATOM 0 HA HIS A 14 -3.663 -2.499 9.058 1.00 0.73 H new ATOM 0 HB2 HIS A 14 -1.958 -0.172 8.001 1.00 1.01 H new ATOM 0 HB3 HIS A 14 -1.531 -1.854 7.756 1.00 1.01 H new ATOM 0 HD1 HIS A 14 -4.008 -3.161 6.537 1.00 1.85 H new ATOM 0 HD2 HIS A 14 -2.745 0.787 5.832 1.00 0.86 H new ATOM 0 HE1 HIS A 14 -4.838 -2.532 4.199 1.00 2.05 H new ATOM 211 N THR A 15 -1.222 -2.682 10.067 1.00 0.74 N ATOM 212 CA THR A 15 0.105 -2.846 10.681 1.00 0.90 C ATOM 213 C THR A 15 1.085 -3.411 9.642 1.00 0.79 C ATOM 214 O THR A 15 0.682 -3.810 8.545 1.00 0.85 O ATOM 215 CB THR A 15 0.086 -3.750 11.929 1.00 1.22 C ATOM 216 OG1 THR A 15 -0.510 -5.004 11.702 1.00 1.56 O ATOM 217 CG2 THR A 15 -0.640 -3.109 13.106 1.00 1.63 C ATOM 0 H THR A 15 -1.425 -3.432 9.406 1.00 0.74 H new ATOM 0 HA THR A 15 0.428 -1.859 11.013 1.00 0.90 H new ATOM 0 HB THR A 15 1.141 -3.888 12.165 1.00 1.22 H new ATOM 0 HG1 THR A 15 -0.490 -5.530 12.529 1.00 1.56 H new ATOM 0 HG21 THR A 15 -0.623 -3.789 13.958 1.00 1.63 H new ATOM 0 HG22 THR A 15 -0.144 -2.177 13.376 1.00 1.63 H new ATOM 0 HG23 THR A 15 -1.673 -2.902 12.827 1.00 1.63 H new ATOM 225 N VAL A 16 2.380 -3.463 9.957 1.00 0.79 N ATOM 226 CA VAL A 16 3.389 -4.215 9.188 1.00 0.73 C ATOM 227 C VAL A 16 3.933 -5.312 10.095 1.00 0.83 C ATOM 228 O VAL A 16 4.763 -5.046 10.961 1.00 1.12 O ATOM 229 CB VAL A 16 4.509 -3.302 8.638 1.00 0.82 C ATOM 230 CG1 VAL A 16 5.369 -4.075 7.628 1.00 1.35 C ATOM 231 CG2 VAL A 16 3.953 -2.062 7.927 1.00 1.33 C ATOM 0 H VAL A 16 2.770 -2.978 10.765 1.00 0.79 H new ATOM 0 HA VAL A 16 2.928 -4.657 8.305 1.00 0.73 H new ATOM 0 HB VAL A 16 5.100 -2.982 9.496 1.00 0.82 H new ATOM 0 HG11 VAL A 16 6.155 -3.424 7.246 1.00 1.35 H new ATOM 0 HG12 VAL A 16 5.819 -4.938 8.119 1.00 1.35 H new ATOM 0 HG13 VAL A 16 4.744 -4.413 6.801 1.00 1.35 H new ATOM 0 HG21 VAL A 16 4.779 -1.453 7.559 1.00 1.33 H new ATOM 0 HG22 VAL A 16 3.329 -2.372 7.089 1.00 1.33 H new ATOM 0 HG23 VAL A 16 3.356 -1.478 8.627 1.00 1.33 H new ATOM 241 N GLY A 17 3.405 -6.530 9.951 1.00 0.82 N ATOM 242 CA GLY A 17 3.875 -7.740 10.665 1.00 1.02 C ATOM 243 C GLY A 17 3.572 -7.812 12.177 1.00 1.21 C ATOM 244 O GLY A 17 3.492 -8.901 12.744 1.00 1.47 O ATOM 0 H GLY A 17 2.622 -6.716 9.324 1.00 0.82 H new ATOM 0 HA2 GLY A 17 3.430 -8.612 10.186 1.00 1.02 H new ATOM 0 HA3 GLY A 17 4.954 -7.818 10.530 1.00 1.02 H new ATOM 376 N PRO A 28 -5.763 -6.033 5.776 1.00 1.96 N ATOM 377 CA PRO A 28 -4.626 -6.888 6.123 1.00 1.47 C ATOM 378 C PRO A 28 -3.369 -6.106 6.529 1.00 1.23 C ATOM 379 O PRO A 28 -3.178 -4.956 6.125 1.00 1.56 O ATOM 380 CB PRO A 28 -4.361 -7.726 4.864 1.00 2.08 C ATOM 381 CG PRO A 28 -4.814 -6.792 3.744 1.00 2.73 C ATOM 382 CD PRO A 28 -6.063 -6.162 4.356 1.00 2.62 C ATOM 0 HA PRO A 28 -4.863 -7.493 6.998 1.00 1.47 H new ATOM 0 HB2 PRO A 28 -3.309 -7.993 4.769 1.00 2.08 H new ATOM 0 HB3 PRO A 28 -4.927 -8.657 4.870 1.00 2.08 H new ATOM 0 HG2 PRO A 28 -4.057 -6.047 3.500 1.00 2.73 H new ATOM 0 HG3 PRO A 28 -5.037 -7.333 2.824 1.00 2.73 H new ATOM 0 HD2 PRO A 28 -6.276 -5.191 3.908 1.00 2.62 H new ATOM 0 HD3 PRO A 28 -6.941 -6.787 4.193 1.00 2.62 H new ATOM 390 N ASP A 29 -2.471 -6.763 7.265 1.00 1.19 N ATOM 391 CA ASP A 29 -1.112 -6.268 7.518 1.00 1.30 C ATOM 392 C ASP A 29 -0.212 -6.368 6.266 1.00 1.10 C ATOM 393 O ASP A 29 -0.493 -7.137 5.342 1.00 1.30 O ATOM 394 CB ASP A 29 -0.484 -6.991 8.720 1.00 1.90 C ATOM 395 CG ASP A 29 0.118 -8.333 8.312 1.00 1.64 C ATOM 396 OD1 ASP A 29 -0.646 -9.308 8.114 1.00 2.78 O ATOM 397 OD2 ASP A 29 1.348 -8.416 8.119 1.00 2.42 O ATOM 0 H ASP A 29 -2.666 -7.661 7.707 1.00 1.19 H new ATOM 0 HA ASP A 29 -1.192 -5.209 7.761 1.00 1.30 H new ATOM 0 HB2 ASP A 29 0.290 -6.362 9.160 1.00 1.90 H new ATOM 0 HB3 ASP A 29 -1.242 -7.149 9.488 1.00 1.90 H new ATOM 402 N LEU A 30 0.879 -5.596 6.232 1.00 0.92 N ATOM 403 CA LEU A 30 1.661 -5.354 5.007 1.00 0.84 C ATOM 404 C LEU A 30 3.047 -6.021 4.974 1.00 0.81 C ATOM 405 O LEU A 30 3.877 -5.650 4.143 1.00 1.09 O ATOM 406 CB LEU A 30 1.769 -3.842 4.735 1.00 0.93 C ATOM 407 CG LEU A 30 0.492 -3.026 4.974 1.00 0.92 C ATOM 408 CD1 LEU A 30 0.773 -1.561 4.635 1.00 1.16 C ATOM 409 CD2 LEU A 30 -0.682 -3.467 4.093 1.00 1.12 C ATOM 0 H LEU A 30 1.249 -5.118 7.054 1.00 0.92 H new ATOM 0 HA LEU A 30 1.104 -5.840 4.206 1.00 0.84 H new ATOM 0 HB2 LEU A 30 2.560 -3.435 5.364 1.00 0.93 H new ATOM 0 HB3 LEU A 30 2.080 -3.700 3.700 1.00 0.93 H new ATOM 0 HG LEU A 30 0.218 -3.177 6.018 1.00 0.92 H new ATOM 0 HD11 LEU A 30 -0.128 -0.970 4.801 1.00 1.16 H new ATOM 0 HD12 LEU A 30 1.575 -1.187 5.272 1.00 1.16 H new ATOM 0 HD13 LEU A 30 1.073 -1.480 3.590 1.00 1.16 H new ATOM 0 HD21 LEU A 30 -1.553 -2.850 4.312 1.00 1.12 H new ATOM 0 HD22 LEU A 30 -0.412 -3.354 3.043 1.00 1.12 H new ATOM 0 HD23 LEU A 30 -0.917 -4.512 4.296 1.00 1.12 H new ATOM 421 N LEU A 31 3.352 -6.970 5.860 1.00 0.73 N ATOM 422 CA LEU A 31 4.682 -7.590 5.884 1.00 0.79 C ATOM 423 C LEU A 31 4.907 -8.452 4.636 1.00 0.91 C ATOM 424 O LEU A 31 4.065 -9.257 4.230 1.00 1.56 O ATOM 425 CB LEU A 31 4.862 -8.319 7.215 1.00 0.85 C ATOM 426 CG LEU A 31 6.202 -8.985 7.585 1.00 1.18 C ATOM 427 CD1 LEU A 31 6.524 -10.243 6.784 1.00 2.72 C ATOM 428 CD2 LEU A 31 7.369 -8.000 7.511 1.00 2.31 C ATOM 0 H LEU A 31 2.705 -7.325 6.565 1.00 0.73 H new ATOM 0 HA LEU A 31 5.467 -6.835 5.834 1.00 0.79 H new ATOM 0 HB2 LEU A 31 4.634 -7.602 8.004 1.00 0.85 H new ATOM 0 HB3 LEU A 31 4.098 -9.095 7.259 1.00 0.85 H new ATOM 0 HG LEU A 31 6.069 -9.305 8.618 1.00 1.18 H new ATOM 0 HD11 LEU A 31 7.483 -10.646 7.109 1.00 2.72 H new ATOM 0 HD12 LEU A 31 5.744 -10.987 6.946 1.00 2.72 H new ATOM 0 HD13 LEU A 31 6.575 -9.996 5.724 1.00 2.72 H new ATOM 0 HD21 LEU A 31 8.294 -8.511 7.779 1.00 2.31 H new ATOM 0 HD22 LEU A 31 7.451 -7.609 6.497 1.00 2.31 H new ATOM 0 HD23 LEU A 31 7.195 -7.177 8.204 1.00 2.31 H new ATOM 440 N GLY A 32 6.060 -8.242 4.011 1.00 0.92 N ATOM 441 CA GLY A 32 6.510 -8.928 2.793 1.00 1.03 C ATOM 442 C GLY A 32 5.717 -8.655 1.506 1.00 0.88 C ATOM 443 O GLY A 32 5.989 -9.287 0.487 1.00 0.85 O ATOM 0 H GLY A 32 6.740 -7.561 4.349 1.00 0.92 H new ATOM 0 HA2 GLY A 32 7.550 -8.655 2.615 1.00 1.03 H new ATOM 0 HA3 GLY A 32 6.491 -10.001 2.982 1.00 1.03 H new ATOM 447 N VAL A 33 4.762 -7.709 1.476 1.00 0.86 N ATOM 448 CA VAL A 33 3.995 -7.411 0.257 1.00 0.86 C ATOM 449 C VAL A 33 4.875 -6.888 -0.885 1.00 0.82 C ATOM 450 O VAL A 33 4.558 -7.124 -2.044 1.00 0.94 O ATOM 451 CB VAL A 33 2.821 -6.462 0.537 1.00 0.96 C ATOM 452 CG1 VAL A 33 1.860 -7.057 1.571 1.00 2.23 C ATOM 453 CG2 VAL A 33 3.245 -5.042 0.933 1.00 2.63 C ATOM 0 H VAL A 33 4.504 -7.139 2.282 1.00 0.86 H new ATOM 0 HA VAL A 33 3.580 -8.361 -0.078 1.00 0.86 H new ATOM 0 HB VAL A 33 2.297 -6.360 -0.413 1.00 0.96 H new ATOM 0 HG11 VAL A 33 1.040 -6.361 1.748 1.00 2.23 H new ATOM 0 HG12 VAL A 33 1.462 -8.000 1.197 1.00 2.23 H new ATOM 0 HG13 VAL A 33 2.394 -7.233 2.505 1.00 2.23 H new ATOM 0 HG21 VAL A 33 2.358 -4.435 1.114 1.00 2.63 H new ATOM 0 HG22 VAL A 33 3.848 -5.082 1.840 1.00 2.63 H new ATOM 0 HG23 VAL A 33 3.830 -4.599 0.127 1.00 2.63 H new ATOM 463 N THR A 34 6.030 -6.291 -0.580 1.00 0.79 N ATOM 464 CA THR A 34 7.094 -5.921 -1.536 1.00 0.92 C ATOM 465 C THR A 34 7.706 -7.112 -2.288 1.00 0.92 C ATOM 466 O THR A 34 8.354 -6.912 -3.320 1.00 1.20 O ATOM 467 CB THR A 34 8.205 -5.152 -0.802 1.00 1.10 C ATOM 468 OG1 THR A 34 8.466 -5.762 0.442 1.00 2.46 O ATOM 469 CG2 THR A 34 7.799 -3.706 -0.532 1.00 2.47 C ATOM 0 H THR A 34 6.266 -6.038 0.380 1.00 0.79 H new ATOM 0 HA THR A 34 6.617 -5.296 -2.291 1.00 0.92 H new ATOM 0 HB THR A 34 9.088 -5.168 -1.441 1.00 1.10 H new ATOM 0 HG1 THR A 34 9.176 -5.270 0.905 1.00 2.46 H new ATOM 0 HG21 THR A 34 8.608 -3.192 -0.012 1.00 2.47 H new ATOM 0 HG22 THR A 34 7.597 -3.202 -1.477 1.00 2.47 H new ATOM 0 HG23 THR A 34 6.902 -3.689 0.087 1.00 2.47 H new ATOM 477 N ARG A 35 7.471 -8.348 -1.823 1.00 0.79 N ATOM 478 CA ARG A 35 7.877 -9.607 -2.475 1.00 0.93 C ATOM 479 C ARG A 35 6.685 -10.458 -2.935 1.00 1.00 C ATOM 480 O ARG A 35 6.794 -11.137 -3.956 1.00 1.44 O ATOM 481 CB ARG A 35 8.805 -10.412 -1.547 1.00 1.07 C ATOM 482 CG ARG A 35 10.071 -9.627 -1.158 1.00 2.57 C ATOM 483 CD ARG A 35 11.160 -10.515 -0.545 1.00 2.83 C ATOM 484 NE ARG A 35 10.703 -11.214 0.667 1.00 3.25 N ATOM 485 CZ ARG A 35 11.500 -11.703 1.634 1.00 4.38 C ATOM 486 NH1 ARG A 35 12.833 -11.545 1.601 1.00 5.20 N ATOM 487 NH2 ARG A 35 10.947 -12.367 2.656 1.00 5.29 N ATOM 0 H ARG A 35 6.973 -8.507 -0.947 1.00 0.79 H new ATOM 0 HA ARG A 35 8.422 -9.336 -3.379 1.00 0.93 H new ATOM 0 HB2 ARG A 35 8.261 -10.688 -0.644 1.00 1.07 H new ATOM 0 HB3 ARG A 35 9.094 -11.339 -2.042 1.00 1.07 H new ATOM 0 HG2 ARG A 35 10.470 -9.130 -2.042 1.00 2.57 H new ATOM 0 HG3 ARG A 35 9.803 -8.846 -0.447 1.00 2.57 H new ATOM 0 HD2 ARG A 35 11.484 -11.249 -1.283 1.00 2.83 H new ATOM 0 HD3 ARG A 35 12.029 -9.903 -0.302 1.00 2.83 H new ATOM 0 HE ARG A 35 9.697 -11.338 0.783 1.00 3.25 H new ATOM 0 HH11 ARG A 35 13.268 -11.042 0.827 1.00 5.20 H new ATOM 0 HH12 ARG A 35 13.411 -11.928 2.350 1.00 5.20 H new ATOM 0 HH21 ARG A 35 9.936 -12.496 2.693 1.00 5.29 H new ATOM 0 HH22 ARG A 35 11.537 -12.744 3.398 1.00 5.29 H new ATOM 501 N GLN A 36 5.539 -10.390 -2.250 1.00 0.88 N ATOM 502 CA GLN A 36 4.313 -11.116 -2.633 1.00 1.03 C ATOM 503 C GLN A 36 3.461 -10.412 -3.708 1.00 1.06 C ATOM 504 O GLN A 36 2.733 -11.089 -4.436 1.00 1.29 O ATOM 505 CB GLN A 36 3.462 -11.421 -1.388 1.00 1.15 C ATOM 506 CG GLN A 36 4.137 -12.424 -0.442 1.00 1.87 C ATOM 507 CD GLN A 36 3.227 -12.783 0.727 1.00 2.82 C ATOM 508 OE1 GLN A 36 3.285 -12.179 1.793 1.00 3.90 O ATOM 509 NE2 GLN A 36 2.334 -13.735 0.568 1.00 3.47 N ATOM 0 H GLN A 36 5.430 -9.826 -1.407 1.00 0.88 H new ATOM 0 HA GLN A 36 4.653 -12.044 -3.093 1.00 1.03 H new ATOM 0 HB2 GLN A 36 3.268 -10.494 -0.849 1.00 1.15 H new ATOM 0 HB3 GLN A 36 2.496 -11.816 -1.701 1.00 1.15 H new ATOM 0 HG2 GLN A 36 4.398 -13.328 -0.993 1.00 1.87 H new ATOM 0 HG3 GLN A 36 5.068 -12.001 -0.064 1.00 1.87 H new ATOM 0 HE21 GLN A 36 2.280 -14.241 -0.316 1.00 3.47 H new ATOM 0 HE22 GLN A 36 1.695 -13.967 1.328 1.00 3.47 H new ATOM 518 N ARG A 37 3.542 -9.082 -3.847 1.00 1.01 N ATOM 519 CA ARG A 37 2.908 -8.305 -4.931 1.00 1.12 C ATOM 520 C ARG A 37 3.923 -7.925 -6.009 1.00 1.08 C ATOM 521 O ARG A 37 5.128 -7.855 -5.753 1.00 1.69 O ATOM 522 CB ARG A 37 2.173 -7.063 -4.385 1.00 1.37 C ATOM 523 CG ARG A 37 0.951 -7.374 -3.505 1.00 1.78 C ATOM 524 CD ARG A 37 -0.158 -8.086 -4.291 1.00 1.41 C ATOM 525 NE ARG A 37 -1.386 -8.224 -3.496 1.00 1.27 N ATOM 526 CZ ARG A 37 -2.473 -8.928 -3.860 1.00 1.77 C ATOM 527 NH1 ARG A 37 -2.528 -9.586 -5.028 1.00 2.51 N ATOM 528 NH2 ARG A 37 -3.526 -8.975 -3.033 1.00 2.15 N ATOM 0 H ARG A 37 4.063 -8.497 -3.194 1.00 1.01 H new ATOM 0 HA ARG A 37 2.159 -8.946 -5.396 1.00 1.12 H new ATOM 0 HB2 ARG A 37 2.878 -6.466 -3.806 1.00 1.37 H new ATOM 0 HB3 ARG A 37 1.851 -6.449 -5.226 1.00 1.37 H new ATOM 0 HG2 ARG A 37 1.258 -7.998 -2.666 1.00 1.78 H new ATOM 0 HG3 ARG A 37 0.560 -6.446 -3.086 1.00 1.78 H new ATOM 0 HD2 ARG A 37 -0.375 -7.527 -5.201 1.00 1.41 H new ATOM 0 HD3 ARG A 37 0.189 -9.073 -4.598 1.00 1.41 H new ATOM 0 HE ARG A 37 -1.417 -7.747 -2.595 1.00 1.27 H new ATOM 0 HH11 ARG A 37 -1.732 -9.560 -5.666 1.00 2.51 H new ATOM 0 HH12 ARG A 37 -3.365 -10.112 -5.278 1.00 2.51 H new ATOM 0 HH21 ARG A 37 -3.496 -8.481 -2.141 1.00 2.15 H new ATOM 0 HH22 ARG A 37 -4.357 -9.505 -3.295 1.00 2.15 H new ATOM 542 N ASP A 38 3.422 -7.641 -7.206 1.00 0.94 N ATOM 543 CA ASP A 38 4.222 -7.197 -8.349 1.00 0.93 C ATOM 544 C ASP A 38 4.928 -5.861 -8.059 1.00 0.99 C ATOM 545 O ASP A 38 4.293 -4.885 -7.646 1.00 1.18 O ATOM 546 CB ASP A 38 3.313 -7.115 -9.582 1.00 1.03 C ATOM 547 CG ASP A 38 2.960 -8.513 -10.077 1.00 2.57 C ATOM 548 OD1 ASP A 38 3.850 -9.179 -10.658 1.00 2.99 O ATOM 549 OD2 ASP A 38 1.831 -8.978 -9.797 1.00 4.16 O ATOM 0 H ASP A 38 2.427 -7.714 -7.417 1.00 0.94 H new ATOM 0 HA ASP A 38 5.016 -7.919 -8.542 1.00 0.93 H new ATOM 0 HB2 ASP A 38 2.402 -6.569 -9.335 1.00 1.03 H new ATOM 0 HB3 ASP A 38 3.813 -6.558 -10.374 1.00 1.03 H new ATOM 554 N ALA A 39 6.252 -5.831 -8.244 1.00 1.05 N ATOM 555 CA ALA A 39 7.129 -4.836 -7.625 1.00 1.17 C ATOM 556 C ALA A 39 6.865 -3.384 -8.058 1.00 1.09 C ATOM 557 O ALA A 39 7.073 -2.471 -7.256 1.00 1.35 O ATOM 558 CB ALA A 39 8.581 -5.236 -7.911 1.00 1.37 C ATOM 0 H ALA A 39 6.747 -6.502 -8.832 1.00 1.05 H new ATOM 0 HA ALA A 39 6.917 -4.840 -6.556 1.00 1.17 H new ATOM 0 HB1 ALA A 39 9.255 -4.508 -7.459 1.00 1.37 H new ATOM 0 HB2 ALA A 39 8.776 -6.222 -7.490 1.00 1.37 H new ATOM 0 HB3 ALA A 39 8.746 -5.263 -8.988 1.00 1.37 H new ATOM 564 N ASN A 40 6.395 -3.160 -9.289 1.00 0.89 N ATOM 565 CA ASN A 40 6.020 -1.834 -9.779 1.00 0.86 C ATOM 566 C ASN A 40 4.538 -1.506 -9.512 1.00 0.75 C ATOM 567 O ASN A 40 4.232 -0.417 -9.026 1.00 0.91 O ATOM 568 CB ASN A 40 6.402 -1.729 -11.261 1.00 0.98 C ATOM 569 CG ASN A 40 6.216 -0.315 -11.756 1.00 1.90 C ATOM 570 OD1 ASN A 40 7.034 0.555 -11.489 1.00 2.71 O ATOM 571 ND2 ASN A 40 5.130 -0.030 -12.426 1.00 3.20 N ATOM 0 H ASN A 40 6.264 -3.901 -9.977 1.00 0.89 H new ATOM 0 HA ASN A 40 6.573 -1.076 -9.224 1.00 0.86 H new ATOM 0 HB2 ASN A 40 7.439 -2.035 -11.398 1.00 0.98 H new ATOM 0 HB3 ASN A 40 5.788 -2.410 -11.850 1.00 0.98 H new ATOM 0 HD21 ASN A 40 4.956 0.927 -12.733 1.00 3.20 H new ATOM 0 HD22 ASN A 40 4.456 -0.765 -12.642 1.00 3.20 H new ATOM 578 N TRP A 41 3.633 -2.465 -9.755 1.00 0.63 N ATOM 579 CA TRP A 41 2.189 -2.311 -9.504 1.00 0.57 C ATOM 580 C TRP A 41 1.911 -1.907 -8.048 1.00 0.53 C ATOM 581 O TRP A 41 1.094 -1.025 -7.799 1.00 0.52 O ATOM 582 CB TRP A 41 1.457 -3.618 -9.863 1.00 0.56 C ATOM 583 CG TRP A 41 -0.005 -3.660 -9.509 1.00 0.53 C ATOM 584 CD1 TRP A 41 -1.042 -3.400 -10.339 1.00 0.55 C ATOM 585 CD2 TRP A 41 -0.607 -3.913 -8.204 1.00 0.60 C ATOM 586 NE1 TRP A 41 -2.235 -3.431 -9.637 1.00 0.65 N ATOM 587 CE2 TRP A 41 -2.010 -3.655 -8.291 1.00 0.70 C ATOM 588 CE3 TRP A 41 -0.093 -4.292 -6.944 1.00 0.71 C ATOM 589 CZ2 TRP A 41 -2.834 -3.663 -7.157 1.00 0.91 C ATOM 590 CZ3 TRP A 41 -0.912 -4.306 -5.800 1.00 0.88 C ATOM 591 CH2 TRP A 41 -2.270 -3.961 -5.902 1.00 0.99 C ATOM 0 H TRP A 41 3.883 -3.378 -10.135 1.00 0.63 H new ATOM 0 HA TRP A 41 1.812 -1.508 -10.137 1.00 0.57 H new ATOM 0 HB2 TRP A 41 1.558 -3.788 -10.935 1.00 0.56 H new ATOM 0 HB3 TRP A 41 1.959 -4.445 -9.360 1.00 0.56 H new ATOM 0 HD1 TRP A 41 -0.952 -3.198 -11.396 1.00 0.55 H new ATOM 0 HE1 TRP A 41 -3.156 -3.305 -10.056 1.00 0.65 H new ATOM 0 HE3 TRP A 41 0.945 -4.576 -6.857 1.00 0.71 H new ATOM 0 HZ2 TRP A 41 -3.888 -3.443 -7.245 1.00 0.91 H new ATOM 0 HZ3 TRP A 41 -0.496 -4.582 -4.842 1.00 0.88 H new ATOM 0 HH2 TRP A 41 -2.884 -3.924 -5.014 1.00 0.99 H new ATOM 602 N LEU A 42 2.649 -2.477 -7.087 1.00 0.57 N ATOM 603 CA LEU A 42 2.527 -2.151 -5.663 1.00 0.60 C ATOM 604 C LEU A 42 2.792 -0.665 -5.369 1.00 0.60 C ATOM 605 O LEU A 42 2.108 -0.067 -4.537 1.00 0.66 O ATOM 606 CB LEU A 42 3.516 -3.047 -4.896 1.00 0.71 C ATOM 607 CG LEU A 42 3.567 -2.790 -3.379 1.00 1.12 C ATOM 608 CD1 LEU A 42 2.258 -3.158 -2.676 1.00 1.54 C ATOM 609 CD2 LEU A 42 4.690 -3.619 -2.770 1.00 1.99 C ATOM 0 H LEU A 42 3.356 -3.186 -7.280 1.00 0.57 H new ATOM 0 HA LEU A 42 1.502 -2.336 -5.341 1.00 0.60 H new ATOM 0 HB2 LEU A 42 3.249 -4.090 -5.066 1.00 0.71 H new ATOM 0 HB3 LEU A 42 4.514 -2.902 -5.310 1.00 0.71 H new ATOM 0 HG LEU A 42 3.736 -1.723 -3.237 1.00 1.12 H new ATOM 0 HD11 LEU A 42 2.349 -2.957 -1.609 1.00 1.54 H new ATOM 0 HD12 LEU A 42 1.443 -2.563 -3.089 1.00 1.54 H new ATOM 0 HD13 LEU A 42 2.048 -4.217 -2.829 1.00 1.54 H new ATOM 0 HD21 LEU A 42 4.732 -3.442 -1.695 1.00 1.99 H new ATOM 0 HD22 LEU A 42 4.504 -4.677 -2.956 1.00 1.99 H new ATOM 0 HD23 LEU A 42 5.640 -3.333 -3.222 1.00 1.99 H new ATOM 621 N VAL A 43 3.778 -0.066 -6.045 1.00 0.61 N ATOM 622 CA VAL A 43 4.142 1.349 -5.866 1.00 0.65 C ATOM 623 C VAL A 43 3.116 2.263 -6.547 1.00 0.63 C ATOM 624 O VAL A 43 2.771 3.298 -5.983 1.00 0.74 O ATOM 625 CB VAL A 43 5.589 1.620 -6.329 1.00 0.73 C ATOM 626 CG1 VAL A 43 6.030 3.050 -5.988 1.00 1.08 C ATOM 627 CG2 VAL A 43 6.588 0.669 -5.641 1.00 1.00 C ATOM 0 H VAL A 43 4.351 -0.550 -6.736 1.00 0.61 H new ATOM 0 HA VAL A 43 4.116 1.582 -4.802 1.00 0.65 H new ATOM 0 HB VAL A 43 5.591 1.465 -7.408 1.00 0.73 H new ATOM 0 HG11 VAL A 43 7.054 3.206 -6.328 1.00 1.08 H new ATOM 0 HG12 VAL A 43 5.370 3.762 -6.484 1.00 1.08 H new ATOM 0 HG13 VAL A 43 5.980 3.199 -4.909 1.00 1.08 H new ATOM 0 HG21 VAL A 43 7.597 0.887 -5.990 1.00 1.00 H new ATOM 0 HG22 VAL A 43 6.539 0.809 -4.561 1.00 1.00 H new ATOM 0 HG23 VAL A 43 6.335 -0.363 -5.885 1.00 1.00 H new ATOM 637 N ARG A 44 2.542 1.853 -7.691 1.00 0.57 N ATOM 638 CA ARG A 44 1.412 2.557 -8.333 1.00 0.58 C ATOM 639 C ARG A 44 0.144 2.515 -7.472 1.00 0.61 C ATOM 640 O ARG A 44 -0.482 3.550 -7.246 1.00 0.75 O ATOM 641 CB ARG A 44 1.202 1.980 -9.740 1.00 0.61 C ATOM 642 CG ARG A 44 0.260 2.858 -10.575 1.00 1.45 C ATOM 643 CD ARG A 44 0.207 2.355 -12.021 1.00 1.90 C ATOM 644 NE ARG A 44 -0.741 3.146 -12.819 1.00 2.88 N ATOM 645 CZ ARG A 44 -1.998 2.785 -13.142 1.00 3.90 C ATOM 646 NH1 ARG A 44 -2.510 1.601 -12.771 1.00 4.75 N ATOM 647 NH2 ARG A 44 -2.754 3.632 -13.851 1.00 4.91 N ATOM 0 H ARG A 44 2.847 1.023 -8.200 1.00 0.57 H new ATOM 0 HA ARG A 44 1.652 3.616 -8.429 1.00 0.58 H new ATOM 0 HB2 ARG A 44 2.164 1.893 -10.246 1.00 0.61 H new ATOM 0 HB3 ARG A 44 0.790 0.974 -9.664 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -0.740 2.845 -10.141 1.00 1.45 H new ATOM 0 HG3 ARG A 44 0.603 3.892 -10.555 1.00 1.45 H new ATOM 0 HD2 ARG A 44 1.200 2.413 -12.467 1.00 1.90 H new ATOM 0 HD3 ARG A 44 -0.088 1.306 -12.034 1.00 1.90 H new ATOM 0 HE ARG A 44 -0.417 4.051 -13.159 1.00 2.88 H new ATOM 0 HH11 ARG A 44 -1.944 0.948 -12.230 1.00 4.75 H new ATOM 0 HH12 ARG A 44 -3.465 1.355 -13.030 1.00 4.75 H new ATOM 0 HH21 ARG A 44 -2.376 4.535 -14.138 1.00 4.91 H new ATOM 0 HH22 ARG A 44 -3.708 3.375 -14.104 1.00 4.91 H new ATOM 661 N TRP A 45 -0.192 1.350 -6.920 1.00 0.57 N ATOM 662 CA TRP A 45 -1.290 1.172 -5.962 1.00 0.68 C ATOM 663 C TRP A 45 -1.108 2.046 -4.714 1.00 0.84 C ATOM 664 O TRP A 45 -2.066 2.655 -4.245 1.00 1.02 O ATOM 665 CB TRP A 45 -1.395 -0.318 -5.606 1.00 0.67 C ATOM 666 CG TRP A 45 -2.341 -0.647 -4.491 1.00 0.75 C ATOM 667 CD1 TRP A 45 -1.974 -1.111 -3.276 1.00 0.94 C ATOM 668 CD2 TRP A 45 -3.798 -0.520 -4.450 1.00 0.79 C ATOM 669 NE1 TRP A 45 -3.095 -1.281 -2.486 1.00 1.05 N ATOM 670 CE2 TRP A 45 -4.247 -0.918 -3.154 1.00 0.98 C ATOM 671 CE3 TRP A 45 -4.785 -0.094 -5.367 1.00 0.82 C ATOM 672 CZ2 TRP A 45 -5.599 -0.893 -2.781 1.00 1.13 C ATOM 673 CZ3 TRP A 45 -6.146 -0.066 -5.006 1.00 1.01 C ATOM 674 CH2 TRP A 45 -6.554 -0.462 -3.719 1.00 1.14 C ATOM 0 H TRP A 45 0.301 0.482 -7.129 1.00 0.57 H new ATOM 0 HA TRP A 45 -2.223 1.499 -6.421 1.00 0.68 H new ATOM 0 HB2 TRP A 45 -1.704 -0.866 -6.496 1.00 0.67 H new ATOM 0 HB3 TRP A 45 -0.403 -0.681 -5.337 1.00 0.67 H new ATOM 0 HD1 TRP A 45 -0.959 -1.317 -2.969 1.00 0.94 H new ATOM 0 HE1 TRP A 45 -3.074 -1.631 -1.528 1.00 1.05 H new ATOM 0 HE3 TRP A 45 -4.491 0.215 -6.359 1.00 0.82 H new ATOM 0 HZ2 TRP A 45 -5.901 -1.199 -1.791 1.00 1.13 H new ATOM 0 HZ3 TRP A 45 -6.883 0.262 -5.724 1.00 1.01 H new ATOM 0 HH2 TRP A 45 -7.600 -0.435 -3.452 1.00 1.14 H new ATOM 685 N LEU A 46 0.126 2.198 -4.221 1.00 0.93 N ATOM 686 CA LEU A 46 0.463 3.119 -3.132 1.00 1.28 C ATOM 687 C LEU A 46 0.584 4.603 -3.557 1.00 1.40 C ATOM 688 O LEU A 46 0.878 5.450 -2.719 1.00 2.00 O ATOM 689 CB LEU A 46 1.686 2.561 -2.377 1.00 1.48 C ATOM 690 CG LEU A 46 2.030 3.251 -1.040 1.00 1.22 C ATOM 691 CD1 LEU A 46 0.825 3.447 -0.115 1.00 2.11 C ATOM 692 CD2 LEU A 46 3.055 2.402 -0.287 1.00 2.21 C ATOM 0 H LEU A 46 0.929 1.677 -4.573 1.00 0.93 H new ATOM 0 HA LEU A 46 -0.378 3.161 -2.440 1.00 1.28 H new ATOM 0 HB2 LEU A 46 1.516 1.502 -2.183 1.00 1.48 H new ATOM 0 HB3 LEU A 46 2.554 2.629 -3.032 1.00 1.48 H new ATOM 0 HG LEU A 46 2.413 4.238 -1.300 1.00 1.22 H new ATOM 0 HD11 LEU A 46 1.147 3.938 0.803 1.00 2.11 H new ATOM 0 HD12 LEU A 46 0.080 4.066 -0.615 1.00 2.11 H new ATOM 0 HD13 LEU A 46 0.389 2.477 0.125 1.00 2.11 H new ATOM 0 HD21 LEU A 46 3.302 2.884 0.659 1.00 2.21 H new ATOM 0 HD22 LEU A 46 2.637 1.414 -0.092 1.00 2.21 H new ATOM 0 HD23 LEU A 46 3.957 2.301 -0.890 1.00 2.21 H new ATOM 704 N LYS A 47 0.328 4.944 -4.827 1.00 0.97 N ATOM 705 CA LYS A 47 0.284 6.329 -5.331 1.00 1.07 C ATOM 706 C LYS A 47 -1.110 6.812 -5.734 1.00 1.05 C ATOM 707 O LYS A 47 -1.321 8.023 -5.675 1.00 1.42 O ATOM 708 CB LYS A 47 1.278 6.500 -6.497 1.00 1.12 C ATOM 709 CG LYS A 47 2.704 6.684 -5.969 1.00 1.72 C ATOM 710 CD LYS A 47 3.736 6.806 -7.093 1.00 1.79 C ATOM 711 CE LYS A 47 5.115 6.965 -6.451 1.00 3.06 C ATOM 712 NZ LYS A 47 6.187 7.142 -7.453 1.00 3.49 N ATOM 0 H LYS A 47 0.141 4.251 -5.552 1.00 0.97 H new ATOM 0 HA LYS A 47 0.577 6.962 -4.493 1.00 1.07 H new ATOM 0 HB2 LYS A 47 1.236 5.627 -7.149 1.00 1.12 H new ATOM 0 HB3 LYS A 47 0.994 7.362 -7.100 1.00 1.12 H new ATOM 0 HG2 LYS A 47 2.744 7.577 -5.345 1.00 1.72 H new ATOM 0 HG3 LYS A 47 2.964 5.838 -5.332 1.00 1.72 H new ATOM 0 HD2 LYS A 47 3.712 5.922 -7.731 1.00 1.79 H new ATOM 0 HD3 LYS A 47 3.510 7.663 -7.727 1.00 1.79 H new ATOM 0 HE2 LYS A 47 5.103 7.824 -5.780 1.00 3.06 H new ATOM 0 HE3 LYS A 47 5.332 6.088 -5.842 1.00 3.06 H new ATOM 0 HZ1 LYS A 47 7.105 6.909 -7.024 1.00 3.49 H new ATOM 0 HZ2 LYS A 47 6.013 6.512 -8.262 1.00 3.49 H new ATOM 0 HZ3 LYS A 47 6.198 8.129 -7.779 1.00 3.49 H new ATOM 726 N VAL A 48 -2.028 5.936 -6.165 1.00 0.73 N ATOM 727 CA VAL A 48 -3.314 6.354 -6.775 1.00 0.69 C ATOM 728 C VAL A 48 -4.480 5.325 -6.638 1.00 0.55 C ATOM 729 O VAL A 48 -5.183 5.015 -7.606 1.00 0.51 O ATOM 730 CB VAL A 48 -3.004 6.828 -8.226 1.00 0.79 C ATOM 731 CG1 VAL A 48 -2.922 5.741 -9.309 1.00 1.64 C ATOM 732 CG2 VAL A 48 -3.920 7.979 -8.630 1.00 1.50 C ATOM 0 H VAL A 48 -1.909 4.925 -6.105 1.00 0.73 H new ATOM 0 HA VAL A 48 -3.731 7.187 -6.209 1.00 0.69 H new ATOM 0 HB VAL A 48 -1.975 7.183 -8.173 1.00 0.79 H new ATOM 0 HG11 VAL A 48 -2.701 6.202 -10.272 1.00 1.64 H new ATOM 0 HG12 VAL A 48 -2.132 5.034 -9.056 1.00 1.64 H new ATOM 0 HG13 VAL A 48 -3.875 5.215 -9.369 1.00 1.64 H new ATOM 0 HG21 VAL A 48 -3.684 8.292 -9.647 1.00 1.50 H new ATOM 0 HG22 VAL A 48 -4.958 7.651 -8.583 1.00 1.50 H new ATOM 0 HG23 VAL A 48 -3.773 8.817 -7.949 1.00 1.50 H new ATOM 742 N PRO A 49 -4.726 4.752 -5.438 1.00 0.59 N ATOM 743 CA PRO A 49 -5.568 3.556 -5.260 1.00 0.61 C ATOM 744 C PRO A 49 -7.039 3.732 -5.677 1.00 0.65 C ATOM 745 O PRO A 49 -7.612 2.868 -6.345 1.00 0.85 O ATOM 746 CB PRO A 49 -5.461 3.209 -3.768 1.00 0.73 C ATOM 747 CG PRO A 49 -5.132 4.547 -3.108 1.00 0.80 C ATOM 748 CD PRO A 49 -4.237 5.216 -4.148 1.00 0.71 C ATOM 0 HA PRO A 49 -5.211 2.763 -5.917 1.00 0.61 H new ATOM 0 HB2 PRO A 49 -6.393 2.792 -3.386 1.00 0.73 H new ATOM 0 HB3 PRO A 49 -4.682 2.469 -3.584 1.00 0.73 H new ATOM 0 HG2 PRO A 49 -6.029 5.132 -2.908 1.00 0.80 H new ATOM 0 HG3 PRO A 49 -4.619 4.415 -2.156 1.00 0.80 H new ATOM 0 HD2 PRO A 49 -4.294 6.302 -4.074 1.00 0.71 H new ATOM 0 HD3 PRO A 49 -3.192 4.941 -4.002 1.00 0.71 H new ATOM 756 N ASP A 50 -7.664 4.861 -5.332 1.00 0.69 N ATOM 757 CA ASP A 50 -9.077 5.122 -5.631 1.00 0.89 C ATOM 758 C ASP A 50 -9.308 5.427 -7.125 1.00 0.85 C ATOM 759 O ASP A 50 -10.406 5.202 -7.646 1.00 1.00 O ATOM 760 CB ASP A 50 -9.565 6.244 -4.704 1.00 1.23 C ATOM 761 CG ASP A 50 -10.989 6.690 -5.025 1.00 1.41 C ATOM 762 OD1 ASP A 50 -11.949 5.942 -4.730 1.00 2.45 O ATOM 763 OD2 ASP A 50 -11.154 7.790 -5.601 1.00 1.93 O ATOM 0 H ASP A 50 -7.203 5.624 -4.835 1.00 0.69 H new ATOM 0 HA ASP A 50 -9.668 4.226 -5.439 1.00 0.89 H new ATOM 0 HB2 ASP A 50 -9.519 5.902 -3.670 1.00 1.23 H new ATOM 0 HB3 ASP A 50 -8.893 7.098 -4.787 1.00 1.23 H new ATOM 768 N GLN A 51 -8.276 5.885 -7.838 1.00 0.78 N ATOM 769 CA GLN A 51 -8.288 6.052 -9.293 1.00 0.84 C ATOM 770 C GLN A 51 -8.120 4.707 -10.017 1.00 0.78 C ATOM 771 O GLN A 51 -8.765 4.498 -11.045 1.00 0.91 O ATOM 772 CB GLN A 51 -7.187 7.041 -9.686 1.00 0.91 C ATOM 773 CG GLN A 51 -7.358 7.629 -11.091 1.00 1.27 C ATOM 774 CD GLN A 51 -6.214 8.581 -11.420 1.00 1.72 C ATOM 775 OE1 GLN A 51 -6.068 9.645 -10.838 1.00 2.21 O ATOM 776 NE2 GLN A 51 -5.352 8.235 -12.343 1.00 2.59 N ATOM 0 H GLN A 51 -7.390 6.156 -7.411 1.00 0.78 H new ATOM 0 HA GLN A 51 -9.255 6.449 -9.600 1.00 0.84 H new ATOM 0 HB2 GLN A 51 -7.167 7.855 -8.961 1.00 0.91 H new ATOM 0 HB3 GLN A 51 -6.222 6.538 -9.627 1.00 0.91 H new ATOM 0 HG2 GLN A 51 -7.391 6.824 -11.826 1.00 1.27 H new ATOM 0 HG3 GLN A 51 -8.308 8.159 -11.156 1.00 1.27 H new ATOM 0 HE21 GLN A 51 -5.462 7.349 -12.837 1.00 2.59 H new ATOM 0 HE22 GLN A 51 -4.571 8.851 -12.568 1.00 2.59 H new ATOM 785 N MET A 52 -7.319 3.781 -9.470 1.00 0.64 N ATOM 786 CA MET A 52 -7.169 2.413 -9.987 1.00 0.64 C ATOM 787 C MET A 52 -8.452 1.577 -9.834 1.00 0.73 C ATOM 788 O MET A 52 -8.804 0.821 -10.741 1.00 0.85 O ATOM 789 CB MET A 52 -5.990 1.723 -9.283 1.00 0.54 C ATOM 790 CG MET A 52 -4.669 2.094 -9.953 1.00 1.45 C ATOM 791 SD MET A 52 -3.179 1.544 -9.081 1.00 2.17 S ATOM 792 CE MET A 52 -3.303 -0.249 -9.295 1.00 1.40 C ATOM 0 H MET A 52 -6.749 3.964 -8.644 1.00 0.64 H new ATOM 0 HA MET A 52 -6.971 2.486 -11.056 1.00 0.64 H new ATOM 0 HB2 MET A 52 -5.966 2.015 -8.233 1.00 0.54 H new ATOM 0 HB3 MET A 52 -6.126 0.642 -9.310 1.00 0.54 H new ATOM 0 HG2 MET A 52 -4.659 1.672 -10.958 1.00 1.45 H new ATOM 0 HG3 MET A 52 -4.627 3.178 -10.062 1.00 1.45 H new ATOM 0 HE1 MET A 52 -2.436 -0.730 -8.842 1.00 1.40 H new ATOM 0 HE2 MET A 52 -4.212 -0.611 -8.814 1.00 1.40 H new ATOM 0 HE3 MET A 52 -3.336 -0.487 -10.358 1.00 1.40 H new ATOM 802 N LEU A 53 -9.199 1.745 -8.738 1.00 0.76 N ATOM 803 CA LEU A 53 -10.511 1.107 -8.587 1.00 0.93 C ATOM 804 C LEU A 53 -11.541 1.693 -9.576 1.00 1.02 C ATOM 805 O LEU A 53 -12.302 0.946 -10.193 1.00 1.04 O ATOM 806 CB LEU A 53 -10.953 1.227 -7.116 1.00 0.99 C ATOM 807 CG LEU A 53 -12.207 0.401 -6.765 1.00 1.48 C ATOM 808 CD1 LEU A 53 -11.944 -1.105 -6.828 1.00 1.79 C ATOM 809 CD2 LEU A 53 -12.669 0.738 -5.347 1.00 2.75 C ATOM 0 H LEU A 53 -8.917 2.318 -7.942 1.00 0.76 H new ATOM 0 HA LEU A 53 -10.440 0.049 -8.837 1.00 0.93 H new ATOM 0 HB2 LEU A 53 -10.131 0.910 -6.474 1.00 0.99 H new ATOM 0 HB3 LEU A 53 -11.147 2.276 -6.891 1.00 0.99 H new ATOM 0 HG LEU A 53 -12.970 0.656 -7.501 1.00 1.48 H new ATOM 0 HD11 LEU A 53 -12.856 -1.645 -6.573 1.00 1.79 H new ATOM 0 HD12 LEU A 53 -11.631 -1.378 -7.836 1.00 1.79 H new ATOM 0 HD13 LEU A 53 -11.158 -1.367 -6.120 1.00 1.79 H new ATOM 0 HD21 LEU A 53 -13.555 0.152 -5.104 1.00 2.75 H new ATOM 0 HD22 LEU A 53 -11.874 0.503 -4.640 1.00 2.75 H new ATOM 0 HD23 LEU A 53 -12.908 1.800 -5.285 1.00 2.75 H new ATOM 821 N ALA A 54 -11.522 3.013 -9.793 1.00 1.11 N ATOM 822 CA ALA A 54 -12.402 3.698 -10.746 1.00 1.30 C ATOM 823 C ALA A 54 -12.053 3.440 -12.230 1.00 1.33 C ATOM 824 O ALA A 54 -12.950 3.416 -13.072 1.00 1.52 O ATOM 825 CB ALA A 54 -12.412 5.187 -10.396 1.00 1.44 C ATOM 0 H ALA A 54 -10.886 3.644 -9.305 1.00 1.11 H new ATOM 0 HA ALA A 54 -13.405 3.282 -10.646 1.00 1.30 H new ATOM 0 HB1 ALA A 54 -13.060 5.720 -11.091 1.00 1.44 H new ATOM 0 HB2 ALA A 54 -12.783 5.319 -9.380 1.00 1.44 H new ATOM 0 HB3 ALA A 54 -11.399 5.584 -10.467 1.00 1.44 H new ATOM 831 N GLU A 55 -10.784 3.173 -12.572 1.00 1.21 N ATOM 832 CA GLU A 55 -10.386 2.717 -13.920 1.00 1.32 C ATOM 833 C GLU A 55 -10.637 1.212 -14.148 1.00 1.32 C ATOM 834 O GLU A 55 -10.412 0.703 -15.252 1.00 1.39 O ATOM 835 CB GLU A 55 -8.934 3.135 -14.252 1.00 1.29 C ATOM 836 CG GLU A 55 -7.821 2.164 -13.832 1.00 1.59 C ATOM 837 CD GLU A 55 -6.398 2.633 -14.190 1.00 1.89 C ATOM 838 OE1 GLU A 55 -6.196 3.673 -14.871 1.00 2.50 O ATOM 839 OE2 GLU A 55 -5.430 1.942 -13.799 1.00 2.77 O ATOM 0 H GLU A 55 -10.001 3.266 -11.924 1.00 1.21 H new ATOM 0 HA GLU A 55 -11.038 3.228 -14.628 1.00 1.32 H new ATOM 0 HB2 GLU A 55 -8.862 3.289 -15.329 1.00 1.29 H new ATOM 0 HB3 GLU A 55 -8.741 4.098 -13.779 1.00 1.29 H new ATOM 0 HG2 GLU A 55 -7.879 2.009 -12.755 1.00 1.59 H new ATOM 0 HG3 GLU A 55 -8.001 1.198 -14.304 1.00 1.59 H new ATOM 846 N LYS A 56 -11.082 0.504 -13.096 1.00 1.37 N ATOM 847 CA LYS A 56 -11.224 -0.956 -13.009 1.00 1.38 C ATOM 848 C LYS A 56 -9.964 -1.699 -13.467 1.00 1.19 C ATOM 849 O LYS A 56 -10.018 -2.560 -14.347 1.00 1.60 O ATOM 850 CB LYS A 56 -12.553 -1.421 -13.642 1.00 1.93 C ATOM 851 CG LYS A 56 -13.752 -1.014 -12.764 1.00 2.90 C ATOM 852 CD LYS A 56 -15.053 -1.693 -13.208 1.00 3.60 C ATOM 853 CE LYS A 56 -16.138 -1.530 -12.135 1.00 5.06 C ATOM 854 NZ LYS A 56 -17.304 -2.405 -12.408 1.00 5.96 N ATOM 0 H LYS A 56 -11.369 0.965 -12.233 1.00 1.37 H new ATOM 0 HA LYS A 56 -11.303 -1.240 -11.960 1.00 1.38 H new ATOM 0 HB2 LYS A 56 -12.660 -0.985 -14.635 1.00 1.93 H new ATOM 0 HB3 LYS A 56 -12.541 -2.504 -13.769 1.00 1.93 H new ATOM 0 HG2 LYS A 56 -13.545 -1.274 -11.726 1.00 2.90 H new ATOM 0 HG3 LYS A 56 -13.878 0.068 -12.803 1.00 2.90 H new ATOM 0 HD2 LYS A 56 -15.394 -1.259 -14.148 1.00 3.60 H new ATOM 0 HD3 LYS A 56 -14.873 -2.752 -13.393 1.00 3.60 H new ATOM 0 HE2 LYS A 56 -15.723 -1.769 -11.156 1.00 5.06 H new ATOM 0 HE3 LYS A 56 -16.462 -0.490 -12.098 1.00 5.06 H new ATOM 0 HZ1 LYS A 56 -18.020 -2.272 -11.665 1.00 5.96 H new ATOM 0 HZ2 LYS A 56 -17.714 -2.159 -13.332 1.00 5.96 H new ATOM 0 HZ3 LYS A 56 -16.997 -3.399 -12.419 1.00 5.96 H new ATOM 868 N ASP A 57 -8.842 -1.360 -12.821 1.00 1.01 N ATOM 869 CA ASP A 57 -7.589 -2.115 -12.803 1.00 1.02 C ATOM 870 C ASP A 57 -7.915 -3.513 -12.273 1.00 0.92 C ATOM 871 O ASP A 57 -8.342 -3.669 -11.126 1.00 0.94 O ATOM 872 CB ASP A 57 -6.536 -1.420 -11.919 1.00 1.17 C ATOM 873 CG ASP A 57 -5.204 -2.184 -11.929 1.00 1.51 C ATOM 874 OD1 ASP A 57 -4.425 -1.981 -12.895 1.00 1.97 O ATOM 875 OD2 ASP A 57 -4.949 -2.988 -11.004 1.00 2.46 O ATOM 0 H ASP A 57 -8.783 -0.505 -12.268 1.00 1.01 H new ATOM 0 HA ASP A 57 -7.163 -2.174 -13.805 1.00 1.02 H new ATOM 0 HB2 ASP A 57 -6.376 -0.402 -12.274 1.00 1.17 H new ATOM 0 HB3 ASP A 57 -6.908 -1.347 -10.897 1.00 1.17 H new ATOM 880 N PRO A 58 -7.805 -4.531 -13.131 1.00 0.94 N ATOM 881 CA PRO A 58 -8.503 -5.797 -12.928 1.00 1.03 C ATOM 882 C PRO A 58 -7.824 -6.752 -11.945 1.00 1.18 C ATOM 883 O PRO A 58 -8.409 -7.759 -11.543 1.00 2.05 O ATOM 884 CB PRO A 58 -8.600 -6.329 -14.337 1.00 1.27 C ATOM 885 CG PRO A 58 -7.314 -5.859 -15.012 1.00 1.25 C ATOM 886 CD PRO A 58 -7.264 -4.447 -14.486 1.00 1.08 C ATOM 0 HA PRO A 58 -9.471 -5.673 -12.443 1.00 1.03 H new ATOM 0 HB2 PRO A 58 -8.679 -7.416 -14.346 1.00 1.27 H new ATOM 0 HB3 PRO A 58 -9.481 -5.941 -14.848 1.00 1.27 H new ATOM 0 HG2 PRO A 58 -6.446 -6.448 -14.717 1.00 1.25 H new ATOM 0 HG3 PRO A 58 -7.372 -5.900 -16.100 1.00 1.25 H new ATOM 0 HD2 PRO A 58 -6.244 -4.063 -14.481 1.00 1.08 H new ATOM 0 HD3 PRO A 58 -7.855 -3.773 -15.106 1.00 1.08 H new ATOM 894 N LEU A 59 -6.613 -6.386 -11.542 1.00 0.81 N ATOM 895 CA LEU A 59 -5.917 -6.887 -10.352 1.00 0.77 C ATOM 896 C LEU A 59 -6.474 -6.218 -9.078 1.00 0.65 C ATOM 897 O LEU A 59 -6.921 -6.906 -8.162 1.00 0.74 O ATOM 898 CB LEU A 59 -4.398 -6.673 -10.549 1.00 0.92 C ATOM 899 CG LEU A 59 -3.429 -7.495 -9.669 1.00 1.09 C ATOM 900 CD1 LEU A 59 -3.572 -7.248 -8.168 1.00 1.80 C ATOM 901 CD2 LEU A 59 -3.560 -9.000 -9.918 1.00 1.93 C ATOM 0 H LEU A 59 -6.060 -5.700 -12.056 1.00 0.81 H new ATOM 0 HA LEU A 59 -6.089 -7.955 -10.220 1.00 0.77 H new ATOM 0 HB2 LEU A 59 -4.163 -6.885 -11.592 1.00 0.92 H new ATOM 0 HB3 LEU A 59 -4.185 -5.617 -10.383 1.00 0.92 H new ATOM 0 HG LEU A 59 -2.444 -7.141 -9.975 1.00 1.09 H new ATOM 0 HD11 LEU A 59 -2.854 -7.865 -7.628 1.00 1.80 H new ATOM 0 HD12 LEU A 59 -3.381 -6.197 -7.952 1.00 1.80 H new ATOM 0 HD13 LEU A 59 -4.583 -7.505 -7.852 1.00 1.80 H new ATOM 0 HD21 LEU A 59 -2.860 -9.537 -9.278 1.00 1.93 H new ATOM 0 HD22 LEU A 59 -4.577 -9.319 -9.691 1.00 1.93 H new ATOM 0 HD23 LEU A 59 -3.336 -9.217 -10.962 1.00 1.93 H new ATOM 913 N ALA A 60 -6.534 -4.883 -9.018 1.00 0.58 N ATOM 914 CA ALA A 60 -7.038 -4.183 -7.833 1.00 0.55 C ATOM 915 C ALA A 60 -8.526 -4.446 -7.537 1.00 0.55 C ATOM 916 O ALA A 60 -8.879 -4.796 -6.412 1.00 0.59 O ATOM 917 CB ALA A 60 -6.789 -2.688 -7.984 1.00 0.61 C ATOM 0 H ALA A 60 -6.240 -4.267 -9.776 1.00 0.58 H new ATOM 0 HA ALA A 60 -6.490 -4.581 -6.979 1.00 0.55 H new ATOM 0 HB1 ALA A 60 -7.163 -2.166 -7.103 1.00 0.61 H new ATOM 0 HB2 ALA A 60 -5.719 -2.506 -8.086 1.00 0.61 H new ATOM 0 HB3 ALA A 60 -7.306 -2.321 -8.871 1.00 0.61 H new ATOM 923 N MET A 61 -9.408 -4.343 -8.536 1.00 0.65 N ATOM 924 CA MET A 61 -10.852 -4.539 -8.343 1.00 0.80 C ATOM 925 C MET A 61 -11.240 -6.002 -8.040 1.00 0.73 C ATOM 926 O MET A 61 -12.367 -6.269 -7.621 1.00 0.82 O ATOM 927 CB MET A 61 -11.632 -3.904 -9.500 1.00 1.46 C ATOM 928 CG MET A 61 -11.550 -4.672 -10.826 1.00 1.05 C ATOM 929 SD MET A 61 -13.082 -4.665 -11.793 1.00 2.77 S ATOM 930 CE MET A 61 -14.146 -5.581 -10.646 1.00 2.89 C ATOM 0 H MET A 61 -9.145 -4.123 -9.497 1.00 0.65 H new ATOM 0 HA MET A 61 -11.145 -4.012 -7.435 1.00 0.80 H new ATOM 0 HB2 MET A 61 -12.679 -3.817 -9.210 1.00 1.46 H new ATOM 0 HB3 MET A 61 -11.260 -2.892 -9.658 1.00 1.46 H new ATOM 0 HG2 MET A 61 -10.751 -4.243 -11.431 1.00 1.05 H new ATOM 0 HG3 MET A 61 -11.272 -5.705 -10.617 1.00 1.05 H new ATOM 0 HE1 MET A 61 -14.932 -6.089 -11.205 1.00 2.89 H new ATOM 0 HE2 MET A 61 -13.550 -6.318 -10.107 1.00 2.89 H new ATOM 0 HE3 MET A 61 -14.596 -4.888 -9.935 1.00 2.89 H new ATOM 940 N LEU A 62 -10.298 -6.937 -8.200 1.00 0.77 N ATOM 941 CA LEU A 62 -10.363 -8.318 -7.725 1.00 0.93 C ATOM 942 C LEU A 62 -9.835 -8.475 -6.292 1.00 0.92 C ATOM 943 O LEU A 62 -10.395 -9.263 -5.526 1.00 1.14 O ATOM 944 CB LEU A 62 -9.509 -9.144 -8.686 1.00 1.27 C ATOM 945 CG LEU A 62 -9.399 -10.642 -8.362 1.00 1.34 C ATOM 946 CD1 LEU A 62 -10.752 -11.352 -8.385 1.00 2.30 C ATOM 947 CD2 LEU A 62 -8.484 -11.311 -9.384 1.00 2.37 C ATOM 0 H LEU A 62 -9.426 -6.738 -8.690 1.00 0.77 H new ATOM 0 HA LEU A 62 -11.401 -8.649 -7.703 1.00 0.93 H new ATOM 0 HB2 LEU A 62 -9.919 -9.038 -9.690 1.00 1.27 H new ATOM 0 HB3 LEU A 62 -8.505 -8.721 -8.706 1.00 1.27 H new ATOM 0 HG LEU A 62 -8.996 -10.723 -7.352 1.00 1.34 H new ATOM 0 HD11 LEU A 62 -10.613 -12.407 -8.149 1.00 2.30 H new ATOM 0 HD12 LEU A 62 -11.413 -10.899 -7.646 1.00 2.30 H new ATOM 0 HD13 LEU A 62 -11.196 -11.257 -9.376 1.00 2.30 H new ATOM 0 HD21 LEU A 62 -8.403 -12.374 -9.158 1.00 2.37 H new ATOM 0 HD22 LEU A 62 -8.900 -11.183 -10.383 1.00 2.37 H new ATOM 0 HD23 LEU A 62 -7.495 -10.854 -9.341 1.00 2.37 H new ATOM 959 N LEU A 63 -8.771 -7.754 -5.904 1.00 0.82 N ATOM 960 CA LEU A 63 -8.209 -7.915 -4.556 1.00 0.96 C ATOM 961 C LEU A 63 -9.115 -7.274 -3.498 1.00 0.97 C ATOM 962 O LEU A 63 -9.218 -7.777 -2.376 1.00 1.12 O ATOM 963 CB LEU A 63 -6.728 -7.484 -4.536 1.00 1.07 C ATOM 964 CG LEU A 63 -6.427 -6.018 -4.185 1.00 1.38 C ATOM 965 CD1 LEU A 63 -6.351 -5.796 -2.672 1.00 2.08 C ATOM 966 CD2 LEU A 63 -5.070 -5.614 -4.746 1.00 2.37 C ATOM 0 H LEU A 63 -8.293 -7.070 -6.490 1.00 0.82 H new ATOM 0 HA LEU A 63 -8.192 -8.968 -4.276 1.00 0.96 H new ATOM 0 HB2 LEU A 63 -6.202 -8.117 -3.822 1.00 1.07 H new ATOM 0 HB3 LEU A 63 -6.303 -7.690 -5.518 1.00 1.07 H new ATOM 0 HG LEU A 63 -7.238 -5.427 -4.611 1.00 1.38 H new ATOM 0 HD11 LEU A 63 -6.137 -4.747 -2.469 1.00 2.08 H new ATOM 0 HD12 LEU A 63 -7.303 -6.067 -2.216 1.00 2.08 H new ATOM 0 HD13 LEU A 63 -5.559 -6.416 -2.253 1.00 2.08 H new ATOM 0 HD21 LEU A 63 -4.866 -4.574 -4.492 1.00 2.37 H new ATOM 0 HD22 LEU A 63 -4.295 -6.250 -4.318 1.00 2.37 H new ATOM 0 HD23 LEU A 63 -5.076 -5.728 -5.830 1.00 2.37 H new ATOM 978 N PHE A 64 -9.797 -6.187 -3.877 1.00 0.86 N ATOM 979 CA PHE A 64 -10.590 -5.374 -2.943 1.00 0.87 C ATOM 980 C PHE A 64 -11.883 -6.078 -2.491 1.00 0.88 C ATOM 981 O PHE A 64 -12.304 -5.948 -1.344 1.00 0.96 O ATOM 982 CB PHE A 64 -10.813 -3.959 -3.519 1.00 0.82 C ATOM 983 CG PHE A 64 -12.252 -3.571 -3.804 1.00 0.77 C ATOM 984 CD1 PHE A 64 -12.935 -4.145 -4.890 1.00 1.93 C ATOM 985 CD2 PHE A 64 -12.912 -2.639 -2.982 1.00 1.77 C ATOM 986 CE1 PHE A 64 -14.272 -3.807 -5.146 1.00 1.86 C ATOM 987 CE2 PHE A 64 -14.246 -2.281 -3.251 1.00 1.98 C ATOM 988 CZ PHE A 64 -14.927 -2.869 -4.330 1.00 1.05 C ATOM 0 H PHE A 64 -9.816 -5.845 -4.838 1.00 0.86 H new ATOM 0 HA PHE A 64 -10.018 -5.254 -2.023 1.00 0.87 H new ATOM 0 HB2 PHE A 64 -10.395 -3.235 -2.820 1.00 0.82 H new ATOM 0 HB3 PHE A 64 -10.245 -3.873 -4.445 1.00 0.82 H new ATOM 0 HD1 PHE A 64 -12.427 -4.850 -5.531 1.00 1.93 H new ATOM 0 HD2 PHE A 64 -12.394 -2.198 -2.143 1.00 1.77 H new ATOM 0 HE1 PHE A 64 -14.798 -4.267 -5.970 1.00 1.86 H new ATOM 0 HE2 PHE A 64 -14.746 -1.554 -2.628 1.00 1.98 H new ATOM 0 HZ PHE A 64 -15.953 -2.600 -4.532 1.00 1.05 H new ATOM 998 N GLU A 65 -12.492 -6.902 -3.353 1.00 0.88 N ATOM 999 CA GLU A 65 -13.732 -7.603 -3.015 1.00 0.91 C ATOM 1000 C GLU A 65 -13.535 -8.703 -1.963 1.00 0.97 C ATOM 1001 O GLU A 65 -14.487 -9.037 -1.247 1.00 1.13 O ATOM 1002 CB GLU A 65 -14.476 -8.097 -4.268 1.00 1.02 C ATOM 1003 CG GLU A 65 -13.683 -9.055 -5.171 1.00 1.87 C ATOM 1004 CD GLU A 65 -14.541 -9.646 -6.301 1.00 2.48 C ATOM 1005 OE1 GLU A 65 -15.426 -8.939 -6.838 1.00 2.43 O ATOM 1006 OE2 GLU A 65 -14.331 -10.825 -6.682 1.00 3.80 O ATOM 0 H GLU A 65 -12.143 -7.098 -4.291 1.00 0.88 H new ATOM 0 HA GLU A 65 -14.380 -6.866 -2.541 1.00 0.91 H new ATOM 0 HB2 GLU A 65 -15.392 -8.597 -3.952 1.00 1.02 H new ATOM 0 HB3 GLU A 65 -14.773 -7.230 -4.859 1.00 1.02 H new ATOM 0 HG2 GLU A 65 -12.835 -8.523 -5.603 1.00 1.87 H new ATOM 0 HG3 GLU A 65 -13.276 -9.866 -4.566 1.00 1.87 H new ATOM 1013 N GLN A 66 -12.314 -9.224 -1.796 1.00 0.95 N ATOM 1014 CA GLN A 66 -11.995 -10.119 -0.681 1.00 1.07 C ATOM 1015 C GLN A 66 -11.998 -9.372 0.656 1.00 1.18 C ATOM 1016 O GLN A 66 -12.557 -9.865 1.636 1.00 1.78 O ATOM 1017 CB GLN A 66 -10.646 -10.828 -0.936 1.00 1.36 C ATOM 1018 CG GLN A 66 -10.239 -11.778 0.211 1.00 3.29 C ATOM 1019 CD GLN A 66 -8.859 -12.417 0.054 1.00 4.13 C ATOM 1020 OE1 GLN A 66 -8.197 -12.340 -0.980 1.00 4.10 O ATOM 1021 NE2 GLN A 66 -8.371 -13.076 1.081 1.00 5.88 N ATOM 0 H GLN A 66 -11.530 -9.040 -2.421 1.00 0.95 H new ATOM 0 HA GLN A 66 -12.772 -10.880 -0.618 1.00 1.07 H new ATOM 0 HB2 GLN A 66 -10.709 -11.395 -1.865 1.00 1.36 H new ATOM 0 HB3 GLN A 66 -9.867 -10.078 -1.073 1.00 1.36 H new ATOM 0 HG2 GLN A 66 -10.263 -11.223 1.149 1.00 3.29 H new ATOM 0 HG3 GLN A 66 -10.984 -12.570 0.290 1.00 3.29 H new ATOM 0 HE21 GLN A 66 -8.910 -13.147 1.944 1.00 5.88 H new ATOM 0 HE22 GLN A 66 -7.453 -13.516 1.015 1.00 5.88 H new ATOM 1030 N TYR A 67 -11.428 -8.170 0.705 1.00 0.88 N ATOM 1031 CA TYR A 67 -11.317 -7.372 1.928 1.00 1.05 C ATOM 1032 C TYR A 67 -12.584 -6.539 2.173 1.00 1.19 C ATOM 1033 O TYR A 67 -12.562 -5.312 2.250 1.00 1.70 O ATOM 1034 CB TYR A 67 -9.990 -6.604 1.907 1.00 1.01 C ATOM 1035 CG TYR A 67 -8.780 -7.531 1.893 1.00 1.01 C ATOM 1036 CD1 TYR A 67 -8.595 -8.453 2.945 1.00 2.27 C ATOM 1037 CD2 TYR A 67 -7.859 -7.504 0.824 1.00 2.00 C ATOM 1038 CE1 TYR A 67 -7.504 -9.342 2.930 1.00 2.42 C ATOM 1039 CE2 TYR A 67 -6.748 -8.375 0.819 1.00 2.03 C ATOM 1040 CZ TYR A 67 -6.574 -9.300 1.873 1.00 1.37 C ATOM 1041 OH TYR A 67 -5.489 -10.120 1.912 1.00 1.65 O ATOM 0 H TYR A 67 -11.024 -7.715 -0.114 1.00 0.88 H new ATOM 0 HA TYR A 67 -11.272 -8.010 2.811 1.00 1.05 H new ATOM 0 HB2 TYR A 67 -9.960 -5.960 1.028 1.00 1.01 H new ATOM 0 HB3 TYR A 67 -9.936 -5.954 2.780 1.00 1.01 H new ATOM 0 HD1 TYR A 67 -9.295 -8.477 3.767 1.00 2.27 H new ATOM 0 HD2 TYR A 67 -8.005 -6.814 0.006 1.00 2.00 H new ATOM 0 HE1 TYR A 67 -7.380 -10.057 3.730 1.00 2.42 H new ATOM 0 HE2 TYR A 67 -6.032 -8.334 0.011 1.00 2.03 H new ATOM 0 HH TYR A 67 -4.941 -9.976 1.112 1.00 1.65 H new ATOM 1051 N ASN A 68 -13.713 -7.252 2.282 1.00 1.13 N ATOM 1052 CA ASN A 68 -15.046 -6.740 2.620 1.00 1.29 C ATOM 1053 C ASN A 68 -15.538 -5.590 1.705 1.00 1.15 C ATOM 1054 O ASN A 68 -16.342 -4.763 2.139 1.00 1.25 O ATOM 1055 CB ASN A 68 -15.061 -6.418 4.133 1.00 1.57 C ATOM 1056 CG ASN A 68 -16.440 -6.396 4.775 1.00 2.25 C ATOM 1057 OD1 ASN A 68 -17.461 -6.750 4.198 1.00 2.82 O ATOM 1058 ND2 ASN A 68 -16.499 -6.034 6.038 1.00 2.51 N ATOM 0 H ASN A 68 -13.720 -8.260 2.127 1.00 1.13 H new ATOM 0 HA ASN A 68 -15.791 -7.510 2.419 1.00 1.29 H new ATOM 0 HB2 ASN A 68 -14.448 -7.155 4.651 1.00 1.57 H new ATOM 0 HB3 ASN A 68 -14.590 -5.447 4.287 1.00 1.57 H new ATOM 0 HD21 ASN A 68 -17.391 -6.049 6.532 1.00 2.51 H new ATOM 0 HD22 ASN A 68 -15.652 -5.738 6.524 1.00 2.51 H new ATOM 1065 N ARG A 69 -15.028 -5.513 0.458 1.00 1.03 N ATOM 1066 CA ARG A 69 -15.240 -4.379 -0.477 1.00 0.96 C ATOM 1067 C ARG A 69 -14.978 -2.992 0.155 1.00 0.88 C ATOM 1068 O ARG A 69 -15.663 -2.024 -0.178 1.00 1.47 O ATOM 1069 CB ARG A 69 -16.632 -4.478 -1.142 1.00 1.25 C ATOM 1070 CG ARG A 69 -16.795 -5.718 -2.031 1.00 1.71 C ATOM 1071 CD ARG A 69 -18.216 -5.804 -2.600 1.00 1.83 C ATOM 1072 NE ARG A 69 -18.396 -7.003 -3.435 1.00 3.17 N ATOM 1073 CZ ARG A 69 -18.042 -7.131 -4.727 1.00 4.11 C ATOM 1074 NH1 ARG A 69 -17.461 -6.127 -5.405 1.00 4.17 N ATOM 1075 NH2 ARG A 69 -18.279 -8.291 -5.352 1.00 5.73 N ATOM 0 H ARG A 69 -14.445 -6.250 0.061 1.00 1.03 H new ATOM 0 HA ARG A 69 -14.485 -4.468 -1.258 1.00 0.96 H new ATOM 0 HB2 ARG A 69 -17.397 -4.493 -0.366 1.00 1.25 H new ATOM 0 HB3 ARG A 69 -16.804 -3.584 -1.742 1.00 1.25 H new ATOM 0 HG2 ARG A 69 -16.074 -5.681 -2.848 1.00 1.71 H new ATOM 0 HG3 ARG A 69 -16.576 -6.616 -1.453 1.00 1.71 H new ATOM 0 HD2 ARG A 69 -18.936 -5.819 -1.781 1.00 1.83 H new ATOM 0 HD3 ARG A 69 -18.426 -4.913 -3.192 1.00 1.83 H new ATOM 0 HE ARG A 69 -18.830 -7.813 -2.993 1.00 3.17 H new ATOM 0 HH11 ARG A 69 -17.277 -5.238 -4.941 1.00 4.17 H new ATOM 0 HH12 ARG A 69 -17.204 -6.254 -6.384 1.00 4.17 H new ATOM 0 HH21 ARG A 69 -18.721 -9.060 -4.849 1.00 5.73 H new ATOM 0 HH22 ARG A 69 -18.017 -8.406 -6.331 1.00 5.73 H new ATOM 1089 N LEU A 70 -14.044 -2.876 1.104 1.00 0.74 N ATOM 1090 CA LEU A 70 -13.934 -1.696 1.982 1.00 0.85 C ATOM 1091 C LEU A 70 -13.360 -0.458 1.255 1.00 1.01 C ATOM 1092 O LEU A 70 -13.888 0.648 1.415 1.00 2.14 O ATOM 1093 CB LEU A 70 -13.135 -2.125 3.231 1.00 1.02 C ATOM 1094 CG LEU A 70 -13.295 -1.317 4.534 1.00 1.36 C ATOM 1095 CD1 LEU A 70 -12.839 0.138 4.444 1.00 1.89 C ATOM 1096 CD2 LEU A 70 -14.733 -1.348 5.056 1.00 2.91 C ATOM 0 H LEU A 70 -13.342 -3.593 1.289 1.00 0.74 H new ATOM 0 HA LEU A 70 -14.923 -1.359 2.293 1.00 0.85 H new ATOM 0 HB2 LEU A 70 -13.398 -3.160 3.451 1.00 1.02 H new ATOM 0 HB3 LEU A 70 -12.078 -2.115 2.965 1.00 1.02 H new ATOM 0 HG LEU A 70 -12.628 -1.823 5.232 1.00 1.36 H new ATOM 0 HD11 LEU A 70 -12.989 0.627 5.407 1.00 1.89 H new ATOM 0 HD12 LEU A 70 -11.782 0.172 4.181 1.00 1.89 H new ATOM 0 HD13 LEU A 70 -13.420 0.655 3.680 1.00 1.89 H new ATOM 0 HD21 LEU A 70 -14.799 -0.766 5.975 1.00 2.91 H new ATOM 0 HD22 LEU A 70 -15.401 -0.922 4.308 1.00 2.91 H new ATOM 0 HD23 LEU A 70 -15.025 -2.379 5.258 1.00 2.91 H new ATOM 1108 N ALA A 71 -12.360 -0.656 0.386 1.00 0.88 N ATOM 1109 CA ALA A 71 -11.639 0.357 -0.397 1.00 0.85 C ATOM 1110 C ALA A 71 -10.778 1.353 0.412 1.00 0.97 C ATOM 1111 O ALA A 71 -10.979 1.594 1.608 1.00 1.86 O ATOM 1112 CB ALA A 71 -12.581 1.039 -1.403 1.00 0.94 C ATOM 0 H ALA A 71 -12.008 -1.595 0.198 1.00 0.88 H new ATOM 0 HA ALA A 71 -10.882 -0.195 -0.954 1.00 0.85 H new ATOM 0 HB1 ALA A 71 -12.027 1.785 -1.972 1.00 0.94 H new ATOM 0 HB2 ALA A 71 -12.988 0.292 -2.084 1.00 0.94 H new ATOM 0 HB3 ALA A 71 -13.397 1.524 -0.867 1.00 0.94 H new ATOM 1118 N MET A 72 -9.810 1.965 -0.274 1.00 0.55 N ATOM 1119 CA MET A 72 -8.789 2.861 0.276 1.00 0.60 C ATOM 1120 C MET A 72 -8.720 4.188 -0.522 1.00 0.57 C ATOM 1121 O MET A 72 -8.791 4.149 -1.754 1.00 0.55 O ATOM 1122 CB MET A 72 -7.460 2.080 0.269 1.00 0.85 C ATOM 1123 CG MET A 72 -6.217 2.886 0.652 1.00 0.87 C ATOM 1124 SD MET A 72 -4.757 1.828 0.917 1.00 0.69 S ATOM 1125 CE MET A 72 -3.457 3.042 0.574 1.00 1.91 C ATOM 0 H MET A 72 -9.712 1.843 -1.282 1.00 0.55 H new ATOM 0 HA MET A 72 -9.029 3.160 1.297 1.00 0.60 H new ATOM 0 HB2 MET A 72 -7.551 1.238 0.955 1.00 0.85 H new ATOM 0 HB3 MET A 72 -7.309 1.664 -0.727 1.00 0.85 H new ATOM 0 HG2 MET A 72 -6.000 3.609 -0.134 1.00 0.87 H new ATOM 0 HG3 MET A 72 -6.421 3.453 1.560 1.00 0.87 H new ATOM 0 HE1 MET A 72 -2.519 2.706 1.016 1.00 1.91 H new ATOM 0 HE2 MET A 72 -3.333 3.148 -0.504 1.00 1.91 H new ATOM 0 HE3 MET A 72 -3.736 4.004 1.003 1.00 1.91 H new ATOM 1135 N PRO A 73 -8.581 5.355 0.143 1.00 0.70 N ATOM 1136 CA PRO A 73 -8.369 6.654 -0.505 1.00 0.78 C ATOM 1137 C PRO A 73 -6.875 7.009 -0.646 1.00 0.81 C ATOM 1138 O PRO A 73 -6.011 6.372 -0.039 1.00 0.82 O ATOM 1139 CB PRO A 73 -9.088 7.648 0.410 1.00 0.90 C ATOM 1140 CG PRO A 73 -8.817 7.076 1.801 1.00 0.94 C ATOM 1141 CD PRO A 73 -8.813 5.561 1.570 1.00 0.83 C ATOM 0 HA PRO A 73 -8.751 6.660 -1.526 1.00 0.78 H new ATOM 0 HB2 PRO A 73 -8.692 8.658 0.303 1.00 0.90 H new ATOM 0 HB3 PRO A 73 -10.155 7.700 0.194 1.00 0.90 H new ATOM 0 HG2 PRO A 73 -7.864 7.424 2.199 1.00 0.94 H new ATOM 0 HG3 PRO A 73 -9.587 7.371 2.514 1.00 0.94 H new ATOM 0 HD2 PRO A 73 -8.034 5.081 2.162 1.00 0.83 H new ATOM 0 HD3 PRO A 73 -9.762 5.120 1.875 1.00 0.83 H new ATOM 1149 N ASN A 74 -6.576 8.070 -1.401 1.00 0.95 N ATOM 1150 CA ASN A 74 -5.269 8.733 -1.445 1.00 1.08 C ATOM 1151 C ASN A 74 -5.188 9.906 -0.434 1.00 1.19 C ATOM 1152 O ASN A 74 -6.158 10.651 -0.255 1.00 1.98 O ATOM 1153 CB ASN A 74 -5.029 9.167 -2.904 1.00 1.14 C ATOM 1154 CG ASN A 74 -3.609 9.616 -3.191 1.00 1.38 C ATOM 1155 OD1 ASN A 74 -2.776 9.762 -2.313 1.00 1.83 O ATOM 1156 ND2 ASN A 74 -3.286 9.815 -4.443 1.00 1.78 N ATOM 0 H ASN A 74 -7.260 8.506 -2.019 1.00 0.95 H new ATOM 0 HA ASN A 74 -4.475 8.052 -1.137 1.00 1.08 H new ATOM 0 HB2 ASN A 74 -5.276 8.336 -3.564 1.00 1.14 H new ATOM 0 HB3 ASN A 74 -5.712 9.981 -3.147 1.00 1.14 H new ATOM 0 HD21 ASN A 74 -2.335 10.093 -4.686 1.00 1.78 H new ATOM 0 HD22 ASN A 74 -3.985 9.692 -5.176 1.00 1.78 H new ATOM 1163 N MET A 75 -4.036 10.095 0.223 1.00 1.20 N ATOM 1164 CA MET A 75 -3.801 11.148 1.230 1.00 1.33 C ATOM 1165 C MET A 75 -2.987 12.315 0.646 1.00 1.33 C ATOM 1166 O MET A 75 -3.525 13.406 0.430 1.00 2.25 O ATOM 1167 CB MET A 75 -3.174 10.591 2.529 1.00 1.64 C ATOM 1168 CG MET A 75 -3.855 9.326 3.061 1.00 1.64 C ATOM 1169 SD MET A 75 -3.278 7.783 2.299 1.00 2.67 S ATOM 1170 CE MET A 75 -4.565 6.664 2.901 1.00 3.28 C ATOM 0 H MET A 75 -3.218 9.506 0.067 1.00 1.20 H new ATOM 0 HA MET A 75 -4.777 11.544 1.509 1.00 1.33 H new ATOM 0 HB2 MET A 75 -2.121 10.375 2.348 1.00 1.64 H new ATOM 0 HB3 MET A 75 -3.213 11.362 3.298 1.00 1.64 H new ATOM 0 HG2 MET A 75 -3.694 9.267 4.137 1.00 1.64 H new ATOM 0 HG3 MET A 75 -4.930 9.414 2.904 1.00 1.64 H new ATOM 0 HE1 MET A 75 -4.374 5.657 2.530 1.00 3.28 H new ATOM 0 HE2 MET A 75 -4.559 6.656 3.991 1.00 3.28 H new ATOM 0 HE3 MET A 75 -5.538 7.004 2.546 1.00 3.28 H new ATOM 1180 N ARG A 76 -1.701 12.072 0.355 1.00 1.66 N ATOM 1181 CA ARG A 76 -0.793 12.944 -0.394 1.00 1.70 C ATOM 1182 C ARG A 76 0.083 12.101 -1.324 1.00 1.49 C ATOM 1183 O ARG A 76 -0.093 12.201 -2.536 1.00 2.90 O ATOM 1184 CB ARG A 76 -0.001 13.834 0.587 1.00 3.00 C ATOM 1185 CG ARG A 76 0.649 15.076 -0.045 1.00 4.72 C ATOM 1186 CD ARG A 76 1.825 14.777 -0.985 1.00 6.36 C ATOM 1187 NE ARG A 76 2.474 16.015 -1.441 1.00 7.28 N ATOM 1188 CZ ARG A 76 2.059 16.794 -2.461 1.00 7.71 C ATOM 1189 NH1 ARG A 76 0.976 16.490 -3.192 1.00 7.42 N ATOM 1190 NH2 ARG A 76 2.749 17.906 -2.751 1.00 8.83 N ATOM 0 H ARG A 76 -1.243 11.211 0.655 1.00 1.66 H new ATOM 0 HA ARG A 76 -1.349 13.624 -1.039 1.00 1.70 H new ATOM 0 HB2 ARG A 76 -0.672 14.158 1.383 1.00 3.00 H new ATOM 0 HB3 ARG A 76 0.779 13.231 1.053 1.00 3.00 H new ATOM 0 HG2 ARG A 76 -0.112 15.624 -0.600 1.00 4.72 H new ATOM 0 HG3 ARG A 76 0.997 15.733 0.752 1.00 4.72 H new ATOM 0 HD2 ARG A 76 2.554 14.150 -0.471 1.00 6.36 H new ATOM 0 HD3 ARG A 76 1.470 14.212 -1.847 1.00 6.36 H new ATOM 0 HE ARG A 76 3.313 16.311 -0.942 1.00 7.28 H new ATOM 0 HH11 ARG A 76 0.439 15.648 -2.983 1.00 7.42 H new ATOM 0 HH12 ARG A 76 0.689 17.101 -3.957 1.00 7.42 H new ATOM 0 HH21 ARG A 76 3.574 18.152 -2.204 1.00 8.83 H new ATOM 0 HH22 ARG A 76 2.449 18.506 -3.519 1.00 8.83 H new ATOM 1204 N LEU A 77 0.951 11.237 -0.787 1.00 1.39 N ATOM 1205 CA LEU A 77 1.602 10.136 -1.521 1.00 1.66 C ATOM 1206 C LEU A 77 2.295 10.600 -2.828 1.00 1.85 C ATOM 1207 O LEU A 77 1.997 10.119 -3.924 1.00 2.17 O ATOM 1208 CB LEU A 77 0.597 8.969 -1.706 1.00 1.90 C ATOM 1209 CG LEU A 77 0.326 8.054 -0.489 1.00 1.62 C ATOM 1210 CD1 LEU A 77 0.187 8.767 0.857 1.00 1.91 C ATOM 1211 CD2 LEU A 77 -0.973 7.271 -0.697 1.00 3.44 C ATOM 0 H LEU A 77 1.230 11.281 0.193 1.00 1.39 H new ATOM 0 HA LEU A 77 2.430 9.758 -0.922 1.00 1.66 H new ATOM 0 HB2 LEU A 77 -0.355 9.394 -2.025 1.00 1.90 H new ATOM 0 HB3 LEU A 77 0.956 8.343 -2.523 1.00 1.90 H new ATOM 0 HG LEU A 77 1.212 7.421 -0.439 1.00 1.62 H new ATOM 0 HD11 LEU A 77 -0.001 8.032 1.640 1.00 1.91 H new ATOM 0 HD12 LEU A 77 1.107 9.307 1.079 1.00 1.91 H new ATOM 0 HD13 LEU A 77 -0.645 9.470 0.812 1.00 1.91 H new ATOM 0 HD21 LEU A 77 -1.154 6.630 0.166 1.00 3.44 H new ATOM 0 HD22 LEU A 77 -1.803 7.968 -0.812 1.00 3.44 H new ATOM 0 HD23 LEU A 77 -0.888 6.657 -1.594 1.00 3.44 H new ATOM 1223 N GLY A 78 3.202 11.575 -2.690 1.00 1.76 N ATOM 1224 CA GLY A 78 4.169 11.962 -3.729 1.00 1.95 C ATOM 1225 C GLY A 78 5.366 11.000 -3.793 1.00 1.53 C ATOM 1226 O GLY A 78 5.488 10.101 -2.956 1.00 1.28 O ATOM 0 H GLY A 78 3.287 12.128 -1.837 1.00 1.76 H new ATOM 0 HA2 GLY A 78 3.670 11.984 -4.698 1.00 1.95 H new ATOM 0 HA3 GLY A 78 4.527 12.973 -3.532 1.00 1.95 H new ATOM 1230 N ASP A 79 6.270 11.173 -4.766 1.00 1.54 N ATOM 1231 CA ASP A 79 7.334 10.189 -5.028 1.00 1.41 C ATOM 1232 C ASP A 79 8.280 9.990 -3.838 1.00 1.08 C ATOM 1233 O ASP A 79 8.616 8.848 -3.524 1.00 1.27 O ATOM 1234 CB ASP A 79 8.169 10.564 -6.264 1.00 1.71 C ATOM 1235 CG ASP A 79 7.466 10.344 -7.604 1.00 2.24 C ATOM 1236 OD1 ASP A 79 6.289 9.925 -7.654 1.00 3.00 O ATOM 1237 OD2 ASP A 79 8.112 10.542 -8.660 1.00 3.22 O ATOM 0 H ASP A 79 6.288 11.983 -5.385 1.00 1.54 H new ATOM 0 HA ASP A 79 6.809 9.251 -5.208 1.00 1.41 H new ATOM 0 HB2 ASP A 79 8.454 11.613 -6.187 1.00 1.71 H new ATOM 0 HB3 ASP A 79 9.090 9.981 -6.253 1.00 1.71 H new ATOM 1242 N ALA A 80 8.689 11.064 -3.154 1.00 1.02 N ATOM 1243 CA ALA A 80 9.595 10.972 -2.010 1.00 0.91 C ATOM 1244 C ALA A 80 8.921 10.324 -0.783 1.00 0.78 C ATOM 1245 O ALA A 80 9.523 9.469 -0.126 1.00 0.89 O ATOM 1246 CB ALA A 80 10.145 12.371 -1.702 1.00 1.15 C ATOM 0 H ALA A 80 8.401 12.016 -3.379 1.00 1.02 H new ATOM 0 HA ALA A 80 10.425 10.313 -2.264 1.00 0.91 H new ATOM 0 HB1 ALA A 80 10.823 12.316 -0.850 1.00 1.15 H new ATOM 0 HB2 ALA A 80 10.684 12.749 -2.571 1.00 1.15 H new ATOM 0 HB3 ALA A 80 9.320 13.043 -1.466 1.00 1.15 H new ATOM 1252 N GLU A 81 7.661 10.674 -0.513 1.00 0.76 N ATOM 1253 CA GLU A 81 6.852 10.178 0.587 1.00 0.78 C ATOM 1254 C GLU A 81 6.527 8.683 0.439 1.00 0.61 C ATOM 1255 O GLU A 81 6.696 7.910 1.384 1.00 0.68 O ATOM 1256 CB GLU A 81 5.592 11.058 0.598 1.00 1.13 C ATOM 1257 CG GLU A 81 4.781 10.835 1.857 1.00 1.41 C ATOM 1258 CD GLU A 81 3.627 11.835 1.981 1.00 1.66 C ATOM 1259 OE1 GLU A 81 3.875 13.012 2.339 1.00 1.95 O ATOM 1260 OE2 GLU A 81 2.453 11.443 1.788 1.00 2.70 O ATOM 0 H GLU A 81 7.157 11.347 -1.091 1.00 0.76 H new ATOM 0 HA GLU A 81 7.384 10.244 1.536 1.00 0.78 H new ATOM 0 HB2 GLU A 81 5.877 12.108 0.527 1.00 1.13 H new ATOM 0 HB3 GLU A 81 4.981 10.834 -0.276 1.00 1.13 H new ATOM 0 HG2 GLU A 81 4.383 9.820 1.857 1.00 1.41 H new ATOM 0 HG3 GLU A 81 5.431 10.922 2.727 1.00 1.41 H new ATOM 1267 N VAL A 82 6.136 8.252 -0.768 1.00 0.56 N ATOM 1268 CA VAL A 82 5.933 6.830 -1.084 1.00 0.60 C ATOM 1269 C VAL A 82 7.269 6.092 -1.116 1.00 0.60 C ATOM 1270 O VAL A 82 7.342 5.002 -0.562 1.00 0.64 O ATOM 1271 CB VAL A 82 5.162 6.658 -2.408 1.00 0.77 C ATOM 1272 CG1 VAL A 82 5.068 5.189 -2.841 1.00 0.96 C ATOM 1273 CG2 VAL A 82 3.736 7.189 -2.234 1.00 0.87 C ATOM 0 H VAL A 82 5.952 8.878 -1.552 1.00 0.56 H new ATOM 0 HA VAL A 82 5.324 6.389 -0.295 1.00 0.60 H new ATOM 0 HB VAL A 82 5.707 7.211 -3.173 1.00 0.77 H new ATOM 0 HG11 VAL A 82 4.516 5.121 -3.778 1.00 0.96 H new ATOM 0 HG12 VAL A 82 6.071 4.786 -2.980 1.00 0.96 H new ATOM 0 HG13 VAL A 82 4.550 4.616 -2.072 1.00 0.96 H new ATOM 0 HG21 VAL A 82 3.187 7.070 -3.168 1.00 0.87 H new ATOM 0 HG22 VAL A 82 3.234 6.631 -1.444 1.00 0.87 H new ATOM 0 HG23 VAL A 82 3.771 8.245 -1.966 1.00 0.87 H new ATOM 1283 N SER A 83 8.340 6.666 -1.678 1.00 0.63 N ATOM 1284 CA SER A 83 9.661 6.012 -1.745 1.00 0.68 C ATOM 1285 C SER A 83 10.218 5.689 -0.354 1.00 0.62 C ATOM 1286 O SER A 83 10.727 4.589 -0.135 1.00 0.65 O ATOM 1287 CB SER A 83 10.646 6.891 -2.526 1.00 0.81 C ATOM 1288 OG SER A 83 11.949 6.347 -2.552 1.00 2.12 O ATOM 0 H SER A 83 8.320 7.595 -2.099 1.00 0.63 H new ATOM 0 HA SER A 83 9.531 5.064 -2.267 1.00 0.68 H new ATOM 0 HB2 SER A 83 10.287 7.015 -3.548 1.00 0.81 H new ATOM 0 HB3 SER A 83 10.678 7.883 -2.076 1.00 0.81 H new ATOM 0 HG SER A 83 12.541 6.940 -3.061 1.00 2.12 H new ATOM 1294 N ALA A 84 10.032 6.584 0.621 1.00 0.63 N ATOM 1295 CA ALA A 84 10.366 6.308 2.016 1.00 0.65 C ATOM 1296 C ALA A 84 9.538 5.131 2.575 1.00 0.56 C ATOM 1297 O ALA A 84 10.079 4.272 3.269 1.00 0.57 O ATOM 1298 CB ALA A 84 10.167 7.596 2.823 1.00 0.75 C ATOM 0 H ALA A 84 9.647 7.515 0.464 1.00 0.63 H new ATOM 0 HA ALA A 84 11.408 5.997 2.093 1.00 0.65 H new ATOM 0 HB1 ALA A 84 10.411 7.411 3.869 1.00 0.75 H new ATOM 0 HB2 ALA A 84 10.819 8.376 2.430 1.00 0.75 H new ATOM 0 HB3 ALA A 84 9.129 7.918 2.744 1.00 0.75 H new ATOM 1304 N LEU A 85 8.251 5.043 2.222 1.00 0.52 N ATOM 1305 CA LEU A 85 7.354 3.931 2.569 1.00 0.51 C ATOM 1306 C LEU A 85 7.767 2.596 1.907 1.00 0.52 C ATOM 1307 O LEU A 85 7.675 1.547 2.544 1.00 0.59 O ATOM 1308 CB LEU A 85 5.907 4.332 2.185 1.00 0.63 C ATOM 1309 CG LEU A 85 4.802 4.031 3.215 1.00 0.99 C ATOM 1310 CD1 LEU A 85 4.775 2.573 3.670 1.00 2.68 C ATOM 1311 CD2 LEU A 85 4.915 4.921 4.449 1.00 1.43 C ATOM 0 H LEU A 85 7.789 5.765 1.670 1.00 0.52 H new ATOM 0 HA LEU A 85 7.420 3.752 3.642 1.00 0.51 H new ATOM 0 HB2 LEU A 85 5.895 5.402 1.979 1.00 0.63 H new ATOM 0 HB3 LEU A 85 5.650 3.825 1.255 1.00 0.63 H new ATOM 0 HG LEU A 85 3.871 4.242 2.688 1.00 0.99 H new ATOM 0 HD11 LEU A 85 3.973 2.433 4.395 1.00 2.68 H new ATOM 0 HD12 LEU A 85 4.604 1.926 2.809 1.00 2.68 H new ATOM 0 HD13 LEU A 85 5.729 2.318 4.131 1.00 2.68 H new ATOM 0 HD21 LEU A 85 4.117 4.675 5.149 1.00 1.43 H new ATOM 0 HD22 LEU A 85 5.881 4.758 4.928 1.00 1.43 H new ATOM 0 HD23 LEU A 85 4.829 5.966 4.153 1.00 1.43 H new ATOM 1323 N ILE A 86 8.276 2.628 0.666 1.00 0.53 N ATOM 1324 CA ILE A 86 8.802 1.452 -0.055 1.00 0.63 C ATOM 1325 C ILE A 86 10.048 0.958 0.681 1.00 0.67 C ATOM 1326 O ILE A 86 10.137 -0.217 1.034 1.00 0.85 O ATOM 1327 CB ILE A 86 9.119 1.747 -1.545 1.00 0.81 C ATOM 1328 CG1 ILE A 86 7.922 2.288 -2.363 1.00 1.12 C ATOM 1329 CG2 ILE A 86 9.636 0.470 -2.239 1.00 1.09 C ATOM 1330 CD1 ILE A 86 6.553 1.673 -2.031 1.00 0.92 C ATOM 0 H ILE A 86 8.336 3.489 0.122 1.00 0.53 H new ATOM 0 HA ILE A 86 8.032 0.681 -0.066 1.00 0.63 H new ATOM 0 HB ILE A 86 9.874 2.533 -1.524 1.00 0.81 H new ATOM 0 HG12 ILE A 86 7.861 3.366 -2.213 1.00 1.12 H new ATOM 0 HG13 ILE A 86 8.126 2.125 -3.421 1.00 1.12 H new ATOM 0 HG21 ILE A 86 9.856 0.687 -3.284 1.00 1.09 H new ATOM 0 HG22 ILE A 86 10.543 0.127 -1.741 1.00 1.09 H new ATOM 0 HG23 ILE A 86 8.875 -0.308 -2.182 1.00 1.09 H new ATOM 0 HD11 ILE A 86 5.788 2.125 -2.663 1.00 0.92 H new ATOM 0 HD12 ILE A 86 6.584 0.598 -2.211 1.00 0.92 H new ATOM 0 HD13 ILE A 86 6.315 1.859 -0.984 1.00 0.92 H new ATOM 1342 N SER A 87 10.964 1.879 0.994 1.00 0.61 N ATOM 1343 CA SER A 87 12.177 1.604 1.765 1.00 0.69 C ATOM 1344 C SER A 87 11.870 1.074 3.167 1.00 0.70 C ATOM 1345 O SER A 87 12.541 0.142 3.613 1.00 0.82 O ATOM 1346 CB SER A 87 13.029 2.873 1.821 1.00 0.73 C ATOM 1347 OG SER A 87 14.232 2.628 2.518 1.00 2.33 O ATOM 0 H SER A 87 10.880 2.856 0.712 1.00 0.61 H new ATOM 0 HA SER A 87 12.734 0.813 1.263 1.00 0.69 H new ATOM 0 HB2 SER A 87 13.250 3.215 0.810 1.00 0.73 H new ATOM 0 HB3 SER A 87 12.472 3.671 2.313 1.00 0.73 H new ATOM 0 HG SER A 87 14.768 3.448 2.545 1.00 2.33 H new ATOM 1353 N TYR A 88 10.826 1.574 3.846 1.00 0.67 N ATOM 1354 CA TYR A 88 10.414 0.981 5.123 1.00 0.73 C ATOM 1355 C TYR A 88 9.938 -0.470 4.970 1.00 0.76 C ATOM 1356 O TYR A 88 10.398 -1.336 5.715 1.00 0.89 O ATOM 1357 CB TYR A 88 9.354 1.845 5.811 1.00 0.75 C ATOM 1358 CG TYR A 88 8.738 1.216 7.048 1.00 0.73 C ATOM 1359 CD1 TYR A 88 9.572 0.696 8.059 1.00 1.79 C ATOM 1360 CD2 TYR A 88 7.338 1.119 7.179 1.00 1.87 C ATOM 1361 CE1 TYR A 88 9.014 0.037 9.168 1.00 1.73 C ATOM 1362 CE2 TYR A 88 6.776 0.475 8.300 1.00 2.01 C ATOM 1363 CZ TYR A 88 7.614 -0.087 9.286 1.00 0.93 C ATOM 1364 OH TYR A 88 7.069 -0.730 10.350 1.00 1.13 O ATOM 0 H TYR A 88 10.265 2.369 3.540 1.00 0.67 H new ATOM 0 HA TYR A 88 11.298 0.953 5.761 1.00 0.73 H new ATOM 0 HB2 TYR A 88 9.804 2.798 6.089 1.00 0.75 H new ATOM 0 HB3 TYR A 88 8.561 2.063 5.096 1.00 0.75 H new ATOM 0 HD1 TYR A 88 10.644 0.804 7.981 1.00 1.79 H new ATOM 0 HD2 TYR A 88 6.695 1.539 6.420 1.00 1.87 H new ATOM 0 HE1 TYR A 88 9.658 -0.375 9.931 1.00 1.73 H new ATOM 0 HE2 TYR A 88 5.703 0.412 8.404 1.00 2.01 H new ATOM 0 HH TYR A 88 6.092 -0.722 10.272 1.00 1.13 H new ATOM 1374 N LEU A 89 9.067 -0.764 3.998 1.00 0.71 N ATOM 1375 CA LEU A 89 8.564 -2.126 3.778 1.00 0.81 C ATOM 1376 C LEU A 89 9.662 -3.092 3.308 1.00 0.90 C ATOM 1377 O LEU A 89 9.674 -4.232 3.768 1.00 1.20 O ATOM 1378 CB LEU A 89 7.366 -2.095 2.811 1.00 0.80 C ATOM 1379 CG LEU A 89 5.992 -2.029 3.507 1.00 1.03 C ATOM 1380 CD1 LEU A 89 5.847 -0.873 4.495 1.00 1.93 C ATOM 1381 CD2 LEU A 89 4.894 -1.889 2.449 1.00 1.28 C ATOM 0 H LEU A 89 8.694 -0.073 3.347 1.00 0.71 H new ATOM 0 HA LEU A 89 8.222 -2.516 4.737 1.00 0.81 H new ATOM 0 HB2 LEU A 89 7.468 -1.233 2.152 1.00 0.80 H new ATOM 0 HB3 LEU A 89 7.399 -2.984 2.181 1.00 0.80 H new ATOM 0 HG LEU A 89 5.901 -2.954 4.076 1.00 1.03 H new ATOM 0 HD11 LEU A 89 4.853 -0.898 4.941 1.00 1.93 H new ATOM 0 HD12 LEU A 89 6.599 -0.968 5.279 1.00 1.93 H new ATOM 0 HD13 LEU A 89 5.986 0.073 3.971 1.00 1.93 H new ATOM 0 HD21 LEU A 89 3.921 -1.842 2.938 1.00 1.28 H new ATOM 0 HD22 LEU A 89 5.056 -0.977 1.875 1.00 1.28 H new ATOM 0 HD23 LEU A 89 4.922 -2.749 1.779 1.00 1.28 H new ATOM 1393 N GLU A 90 10.609 -2.659 2.470 1.00 0.76 N ATOM 1394 CA GLU A 90 11.784 -3.466 2.110 1.00 0.87 C ATOM 1395 C GLU A 90 12.667 -3.777 3.330 1.00 0.88 C ATOM 1396 O GLU A 90 13.014 -4.937 3.562 1.00 0.96 O ATOM 1397 CB GLU A 90 12.639 -2.762 1.036 1.00 1.07 C ATOM 1398 CG GLU A 90 12.038 -2.803 -0.376 1.00 1.57 C ATOM 1399 CD GLU A 90 13.089 -2.389 -1.416 1.00 2.06 C ATOM 1400 OE1 GLU A 90 13.290 -1.177 -1.660 1.00 3.38 O ATOM 1401 OE2 GLU A 90 13.767 -3.279 -1.985 1.00 2.26 O ATOM 0 H GLU A 90 10.585 -1.743 2.022 1.00 0.76 H new ATOM 0 HA GLU A 90 11.399 -4.404 1.710 1.00 0.87 H new ATOM 0 HB2 GLU A 90 12.783 -1.721 1.327 1.00 1.07 H new ATOM 0 HB3 GLU A 90 13.625 -3.225 1.012 1.00 1.07 H new ATOM 0 HG2 GLU A 90 11.676 -3.807 -0.595 1.00 1.57 H new ATOM 0 HG3 GLU A 90 11.178 -2.135 -0.432 1.00 1.57 H new ATOM 1408 N GLU A 91 13.032 -2.769 4.127 1.00 0.89 N ATOM 1409 CA GLU A 91 13.953 -2.932 5.259 1.00 1.01 C ATOM 1410 C GLU A 91 13.305 -3.579 6.496 1.00 1.09 C ATOM 1411 O GLU A 91 14.016 -4.178 7.308 1.00 1.36 O ATOM 1412 CB GLU A 91 14.610 -1.581 5.590 1.00 1.16 C ATOM 1413 CG GLU A 91 15.600 -1.128 4.499 1.00 1.48 C ATOM 1414 CD GLU A 91 16.843 -2.026 4.425 1.00 2.56 C ATOM 1415 OE1 GLU A 91 17.444 -2.305 5.493 1.00 3.43 O ATOM 1416 OE2 GLU A 91 17.238 -2.454 3.312 1.00 3.59 O ATOM 0 H GLU A 91 12.697 -1.813 4.006 1.00 0.89 H new ATOM 0 HA GLU A 91 14.724 -3.638 4.951 1.00 1.01 H new ATOM 0 HB2 GLU A 91 13.836 -0.823 5.712 1.00 1.16 H new ATOM 0 HB3 GLU A 91 15.133 -1.658 6.543 1.00 1.16 H new ATOM 0 HG2 GLU A 91 15.096 -1.130 3.532 1.00 1.48 H new ATOM 0 HG3 GLU A 91 15.908 -0.101 4.696 1.00 1.48 H new ATOM 1423 N GLU A 92 11.976 -3.519 6.634 1.00 0.99 N ATOM 1424 CA GLU A 92 11.196 -4.326 7.587 1.00 1.12 C ATOM 1425 C GLU A 92 11.052 -5.778 7.112 1.00 1.21 C ATOM 1426 O GLU A 92 11.205 -6.706 7.901 1.00 1.37 O ATOM 1427 CB GLU A 92 9.807 -3.690 7.798 1.00 1.22 C ATOM 1428 CG GLU A 92 9.016 -4.299 8.967 1.00 2.00 C ATOM 1429 CD GLU A 92 9.649 -4.045 10.343 1.00 2.41 C ATOM 1430 OE1 GLU A 92 10.431 -3.074 10.504 1.00 2.72 O ATOM 1431 OE2 GLU A 92 9.308 -4.755 11.314 1.00 3.39 O ATOM 0 H GLU A 92 11.396 -2.894 6.074 1.00 0.99 H new ATOM 0 HA GLU A 92 11.733 -4.342 8.535 1.00 1.12 H new ATOM 0 HB2 GLU A 92 9.930 -2.621 7.973 1.00 1.22 H new ATOM 0 HB3 GLU A 92 9.225 -3.798 6.883 1.00 1.22 H new ATOM 0 HG2 GLU A 92 8.005 -3.891 8.961 1.00 2.00 H new ATOM 0 HG3 GLU A 92 8.926 -5.374 8.812 1.00 2.00 H new ATOM 1438 N THR A 93 10.834 -6.005 5.814 1.00 1.17 N ATOM 1439 CA THR A 93 10.781 -7.357 5.233 1.00 1.29 C ATOM 1440 C THR A 93 12.137 -8.066 5.327 1.00 1.32 C ATOM 1441 O THR A 93 12.184 -9.275 5.536 1.00 1.52 O ATOM 1442 CB THR A 93 10.264 -7.291 3.790 1.00 1.32 C ATOM 1443 OG1 THR A 93 8.938 -6.808 3.806 1.00 1.86 O ATOM 1444 CG2 THR A 93 10.245 -8.639 3.086 1.00 1.39 C ATOM 0 H THR A 93 10.689 -5.260 5.133 1.00 1.17 H new ATOM 0 HA THR A 93 10.080 -7.956 5.815 1.00 1.29 H new ATOM 0 HB THR A 93 10.947 -6.639 3.247 1.00 1.32 H new ATOM 0 HG1 THR A 93 8.946 -5.835 3.926 1.00 1.86 H new ATOM 0 HG21 THR A 93 9.868 -8.514 2.071 1.00 1.39 H new ATOM 0 HG22 THR A 93 11.256 -9.045 3.050 1.00 1.39 H new ATOM 0 HG23 THR A 93 9.597 -9.325 3.632 1.00 1.39 H new ATOM 1452 N ALA A 94 13.250 -7.329 5.283 1.00 1.20 N ATOM 1453 CA ALA A 94 14.581 -7.863 5.588 1.00 1.29 C ATOM 1454 C ALA A 94 14.753 -8.311 7.058 1.00 1.37 C ATOM 1455 O ALA A 94 15.556 -9.215 7.318 1.00 1.59 O ATOM 1456 CB ALA A 94 15.619 -6.808 5.207 1.00 1.35 C ATOM 0 H ALA A 94 13.254 -6.340 5.034 1.00 1.20 H new ATOM 0 HA ALA A 94 14.720 -8.771 5.002 1.00 1.29 H new ATOM 0 HB1 ALA A 94 16.618 -7.185 5.426 1.00 1.35 H new ATOM 0 HB2 ALA A 94 15.540 -6.587 4.143 1.00 1.35 H new ATOM 0 HB3 ALA A 94 15.441 -5.898 5.780 1.00 1.35 H new