USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 814 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 THR OG1 : rot 180:sc= 0.0872 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.0793 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0.0281 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 ASN : amide:sc= 1.05 K(o=2.3,f=-3.4!) USER MOD Set 3.2: A 90 THR OG1 : rot -65:sc= 1.23 USER MOD Single : A 6 THR OG1 : rot 60:sc= 1.16 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0862 (180deg=-0.412) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0.844 (180deg=0.767) USER MOD Single : A 11 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.0168 USER MOD Single : A 14 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.021) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 SER OG : rot -31:sc= 0.202 USER MOD Single : A 26 THR OG1 : rot -91:sc= 1.21 USER MOD Single : A 27 ASN : amide:sc=-0.00865 X(o=-0.0087,f=-0.0087) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 32 LYS NZ :NH3+ -108:sc= 1.23 (180deg=-0.339) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.227) USER MOD Single : A 35 ASN : amide:sc= 1.67 K(o=1.7,f=0) USER MOD Single : A 36 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 1.31 (180deg=1.12) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0442 (180deg=-0.251) USER MOD Single : A 55 SER OG : rot -130:sc= 1.05 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00474) USER MOD Single : A 60 THR OG1 : rot 105:sc= 0.207 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -111:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.043!) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.233) USER MOD Single : A 78 TYR OH : rot -179:sc= -0.945! USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= 0.477 (180deg=-0.447) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00102) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -149:sc= 0.487 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.231 K(o=-0.23,f=-7.1!) USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= 1.13 (180deg=-0.958) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.43! C(o=-1.4!,f=-1.7!) USER MOD Single : A 98 HIS : no HD1:sc= -1.62! K(o=-1.6!,f=-0.071) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0253 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.695 10.432 0.754 1.00 0.48 N ATOM 38 CA ASP A 3 -6.853 10.139 -0.077 1.00 0.44 C ATOM 39 C ASP A 3 -6.510 9.057 -1.088 1.00 0.32 C ATOM 40 O ASP A 3 -5.398 8.544 -1.087 1.00 0.32 O ATOM 41 CB ASP A 3 -7.304 11.399 -0.818 1.00 0.55 C ATOM 42 CG ASP A 3 -6.441 11.694 -2.031 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.244 11.985 -1.848 1.00 1.67 O ATOM 44 OD2 ASP A 3 -6.961 11.660 -3.165 1.00 1.97 O ATOM 0 HA ASP A 3 -7.661 9.791 0.566 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.341 11.281 -1.133 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.272 12.249 -0.137 1.00 0.55 H new ATOM 49 N TRP A 4 -7.459 8.748 -1.963 1.00 0.32 N ATOM 50 CA TRP A 4 -7.301 7.671 -2.934 1.00 0.27 C ATOM 51 C TRP A 4 -6.112 7.914 -3.868 1.00 0.24 C ATOM 52 O TRP A 4 -5.370 6.986 -4.194 1.00 0.25 O ATOM 53 CB TRP A 4 -8.588 7.501 -3.747 1.00 0.29 C ATOM 54 CG TRP A 4 -8.521 6.389 -4.749 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.784 6.471 -6.085 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.152 5.026 -4.497 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.611 5.243 -6.676 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.220 4.343 -5.723 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.771 4.318 -3.355 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.925 2.990 -5.837 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.479 2.972 -3.471 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.557 2.322 -4.703 1.00 0.22 C ATOM 0 H TRP A 4 -8.355 9.233 -2.020 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.100 6.754 -2.380 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.417 7.315 -3.065 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.806 8.434 -4.266 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.084 7.370 -6.603 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.751 5.036 -7.665 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.706 4.814 -2.398 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.984 2.484 -6.789 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.186 2.414 -2.594 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.322 1.270 -4.762 1.00 0.22 H new ATOM 73 N LEU A 5 -5.925 9.158 -4.290 1.00 0.28 N ATOM 74 CA LEU A 5 -4.828 9.493 -5.187 1.00 0.32 C ATOM 75 C LEU A 5 -3.489 9.358 -4.470 1.00 0.32 C ATOM 76 O LEU A 5 -2.513 8.866 -5.040 1.00 0.35 O ATOM 77 CB LEU A 5 -4.998 10.910 -5.744 1.00 0.42 C ATOM 78 CG LEU A 5 -6.102 11.089 -6.795 1.00 0.54 C ATOM 79 CD1 LEU A 5 -5.882 10.149 -7.971 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.485 10.880 -6.198 1.00 0.84 C ATOM 0 H LEU A 5 -6.515 9.947 -4.027 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.844 8.792 -6.022 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.202 11.584 -4.912 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.051 11.223 -6.183 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.048 12.117 -7.154 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.676 10.292 -8.704 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -4.918 10.363 -8.433 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -5.894 9.117 -7.619 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.240 11.015 -6.973 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.558 9.871 -5.793 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.650 11.604 -5.400 1.00 0.84 H new ATOM 92 N THR A 6 -3.456 9.781 -3.215 1.00 0.34 N ATOM 93 CA THR A 6 -2.259 9.661 -2.397 1.00 0.40 C ATOM 94 C THR A 6 -1.999 8.195 -2.050 1.00 0.35 C ATOM 95 O THR A 6 -0.860 7.727 -2.048 1.00 0.37 O ATOM 96 CB THR A 6 -2.413 10.490 -1.103 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.716 11.851 -1.433 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.155 10.443 -0.256 1.00 0.61 C ATOM 0 H THR A 6 -4.249 10.212 -2.739 1.00 0.34 H new ATOM 0 HA THR A 6 -1.410 10.044 -2.964 1.00 0.40 H new ATOM 0 HB THR A 6 -3.228 10.056 -0.524 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.552 11.886 -1.943 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.301 11.038 0.646 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.941 9.411 0.021 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.318 10.847 -0.825 1.00 0.61 H new ATOM 106 N PHE A 7 -3.080 7.481 -1.776 1.00 0.29 N ATOM 107 CA PHE A 7 -3.033 6.064 -1.457 1.00 0.26 C ATOM 108 C PHE A 7 -2.446 5.276 -2.622 1.00 0.23 C ATOM 109 O PHE A 7 -1.609 4.398 -2.429 1.00 0.24 O ATOM 110 CB PHE A 7 -4.454 5.573 -1.150 1.00 0.24 C ATOM 111 CG PHE A 7 -4.541 4.183 -0.587 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.443 3.087 -1.425 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.700 3.975 0.773 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.510 1.803 -0.918 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.767 2.696 1.286 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.732 1.623 0.467 1.00 0.27 C ATOM 0 H PHE A 7 -4.022 7.873 -1.769 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.396 5.911 -0.586 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.916 6.264 -0.444 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.042 5.614 -2.067 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.313 3.236 -2.487 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.772 4.822 1.439 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.395 0.950 -1.570 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.848 2.552 2.353 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.873 0.630 0.868 1.00 0.27 H new ATOM 126 N GLN A 8 -2.891 5.610 -3.826 1.00 0.23 N ATOM 127 CA GLN A 8 -2.452 4.923 -5.031 1.00 0.24 C ATOM 128 C GLN A 8 -0.945 4.984 -5.217 1.00 0.24 C ATOM 129 O GLN A 8 -0.280 3.953 -5.194 1.00 0.25 O ATOM 130 CB GLN A 8 -3.123 5.514 -6.257 1.00 0.27 C ATOM 131 CG GLN A 8 -4.330 4.726 -6.731 1.00 0.27 C ATOM 132 CD GLN A 8 -4.916 5.283 -8.012 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.512 4.899 -9.112 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.872 6.185 -7.879 1.00 0.45 N ATOM 0 H GLN A 8 -3.562 6.360 -3.993 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.739 3.878 -4.913 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.432 6.535 -6.035 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.396 5.570 -7.067 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.043 3.686 -6.888 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.093 4.732 -5.953 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.175 6.473 -6.949 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.307 6.593 -8.707 1.00 0.45 H new ATOM 143 N LYS A 9 -0.409 6.186 -5.391 1.00 0.26 N ATOM 144 CA LYS A 9 1.005 6.351 -5.715 1.00 0.29 C ATOM 145 C LYS A 9 1.896 5.669 -4.679 1.00 0.29 C ATOM 146 O LYS A 9 2.955 5.136 -4.999 1.00 0.33 O ATOM 147 CB LYS A 9 1.344 7.836 -5.778 1.00 0.32 C ATOM 148 CG LYS A 9 0.560 8.604 -6.826 1.00 0.33 C ATOM 149 CD LYS A 9 0.735 10.099 -6.630 1.00 0.67 C ATOM 150 CE LYS A 9 0.104 10.906 -7.755 1.00 1.20 C ATOM 151 NZ LYS A 9 0.681 10.557 -9.080 1.00 1.88 N ATOM 0 H LYS A 9 -0.930 7.060 -5.314 1.00 0.26 H new ATOM 0 HA LYS A 9 1.188 5.884 -6.683 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.159 8.282 -4.801 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.409 7.947 -5.982 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.898 8.320 -7.822 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.497 8.344 -6.762 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.289 10.393 -5.680 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.798 10.333 -6.569 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -0.971 10.729 -7.770 1.00 1.20 H new ATOM 0 HE3 LYS A 9 0.249 11.969 -7.565 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 0.464 11.311 -9.763 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.712 10.454 -8.993 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.271 9.661 -9.412 1.00 1.88 H new ATOM 165 N LYS A 10 1.442 5.693 -3.440 1.00 0.28 N ATOM 166 CA LYS A 10 2.237 5.215 -2.319 1.00 0.30 C ATOM 167 C LYS A 10 1.995 3.742 -1.984 1.00 0.26 C ATOM 168 O LYS A 10 2.770 3.147 -1.233 1.00 0.29 O ATOM 169 CB LYS A 10 1.952 6.091 -1.096 1.00 0.38 C ATOM 170 CG LYS A 10 2.400 7.537 -1.265 1.00 0.63 C ATOM 171 CD LYS A 10 1.938 8.401 -0.101 1.00 0.73 C ATOM 172 CE LYS A 10 2.137 9.882 -0.385 1.00 1.10 C ATOM 173 NZ LYS A 10 3.565 10.279 -0.374 1.00 1.34 N ATOM 0 H LYS A 10 0.519 6.041 -3.181 1.00 0.28 H new ATOM 0 HA LYS A 10 3.285 5.288 -2.610 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.882 6.073 -0.888 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.453 5.663 -0.228 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.487 7.576 -1.340 1.00 0.63 H new ATOM 0 HG3 LYS A 10 2.001 7.936 -2.197 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.884 8.208 0.100 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.490 8.126 0.798 1.00 0.73 H new ATOM 0 HE2 LYS A 10 1.704 10.123 -1.356 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.596 10.467 0.359 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.647 11.285 -0.623 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.961 10.123 0.575 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.090 9.707 -1.066 1.00 1.34 H new ATOM 187 N HIS A 11 0.931 3.144 -2.507 1.00 0.25 N ATOM 188 CA HIS A 11 0.585 1.781 -2.096 1.00 0.24 C ATOM 189 C HIS A 11 0.217 0.869 -3.257 1.00 0.23 C ATOM 190 O HIS A 11 0.042 -0.327 -3.059 1.00 0.26 O ATOM 191 CB HIS A 11 -0.558 1.790 -1.077 1.00 0.26 C ATOM 192 CG HIS A 11 -0.171 2.353 0.253 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.789 1.782 1.062 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.608 3.452 0.910 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.924 2.503 2.157 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.090 3.525 2.091 1.00 0.37 N ATOM 0 H HIS A 11 0.307 3.563 -3.197 1.00 0.25 H new ATOM 0 HA HIS A 11 1.489 1.376 -1.641 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.388 2.370 -1.480 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.919 0.771 -0.939 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.313 0.934 0.846 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.365 4.143 0.569 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.602 2.293 2.971 1.00 0.34 H new ATOM 205 N ILE A 12 0.094 1.406 -4.454 1.00 0.23 N ATOM 206 CA ILE A 12 -0.282 0.591 -5.603 1.00 0.24 C ATOM 207 C ILE A 12 0.919 0.360 -6.516 1.00 0.23 C ATOM 208 O ILE A 12 1.471 1.306 -7.078 1.00 0.30 O ATOM 209 CB ILE A 12 -1.436 1.244 -6.406 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.665 1.456 -5.515 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.808 0.404 -7.620 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.214 0.183 -4.906 1.00 0.48 C ATOM 0 H ILE A 12 0.246 2.393 -4.661 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.630 -0.369 -5.223 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.085 2.214 -6.757 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.404 2.147 -4.713 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.449 1.932 -6.103 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.620 0.888 -8.162 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.942 0.307 -8.274 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.129 -0.585 -7.293 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.082 0.419 -4.290 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.509 -0.503 -5.700 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.447 -0.285 -4.288 1.00 0.48 H new ATOM 224 N THR A 13 1.334 -0.894 -6.643 1.00 0.20 N ATOM 225 CA THR A 13 2.431 -1.242 -7.531 1.00 0.21 C ATOM 226 C THR A 13 2.029 -2.402 -8.440 1.00 0.22 C ATOM 227 O THR A 13 1.176 -3.218 -8.089 1.00 0.24 O ATOM 228 CB THR A 13 3.727 -1.595 -6.754 1.00 0.21 C ATOM 229 OG1 THR A 13 4.837 -1.649 -7.657 1.00 0.30 O ATOM 230 CG2 THR A 13 3.612 -2.929 -6.028 1.00 0.21 C ATOM 0 H THR A 13 0.927 -1.684 -6.143 1.00 0.20 H new ATOM 0 HA THR A 13 2.646 -0.363 -8.139 1.00 0.21 H new ATOM 0 HB THR A 13 3.881 -0.814 -6.009 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.498 -2.292 -7.325 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.542 -3.136 -5.498 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.789 -2.885 -5.314 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.423 -3.722 -6.752 1.00 0.21 H new ATOM 238 N ASN A 14 2.641 -2.460 -9.613 1.00 0.28 N ATOM 239 CA ASN A 14 2.316 -3.481 -10.601 1.00 0.33 C ATOM 240 C ASN A 14 3.457 -4.484 -10.734 1.00 0.32 C ATOM 241 O ASN A 14 3.518 -5.255 -11.693 1.00 0.36 O ATOM 242 CB ASN A 14 2.017 -2.831 -11.957 1.00 0.46 C ATOM 243 CG ASN A 14 3.207 -2.076 -12.527 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.407 -0.897 -12.235 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.996 -2.742 -13.356 1.00 2.08 N ATOM 0 H ASN A 14 3.369 -1.809 -9.906 1.00 0.28 H new ATOM 0 HA ASN A 14 1.427 -4.015 -10.265 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.710 -3.602 -12.664 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.177 -2.145 -11.848 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.802 -2.278 -13.776 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.798 -3.719 -13.574 1.00 2.08 H new ATOM 252 N THR A 15 4.351 -4.481 -9.758 1.00 0.33 N ATOM 253 CA THR A 15 5.482 -5.390 -9.759 1.00 0.36 C ATOM 254 C THR A 15 5.695 -5.964 -8.356 1.00 0.33 C ATOM 255 O THR A 15 5.592 -5.246 -7.362 1.00 0.36 O ATOM 256 CB THR A 15 6.764 -4.675 -10.264 1.00 0.42 C ATOM 257 OG1 THR A 15 7.858 -5.597 -10.368 1.00 0.48 O ATOM 258 CG2 THR A 15 7.159 -3.517 -9.355 1.00 0.43 C ATOM 0 H THR A 15 4.313 -3.856 -8.953 1.00 0.33 H new ATOM 0 HA THR A 15 5.268 -6.212 -10.442 1.00 0.36 H new ATOM 0 HB THR A 15 6.536 -4.275 -11.252 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.654 -5.125 -10.690 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.061 -3.042 -9.742 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.350 -2.787 -9.323 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.349 -3.892 -8.350 1.00 0.43 H new ATOM 266 N ARG A 16 5.941 -7.271 -8.281 1.00 0.32 N ATOM 267 CA ARG A 16 6.175 -7.937 -7.002 1.00 0.31 C ATOM 268 C ARG A 16 7.419 -7.391 -6.320 1.00 0.33 C ATOM 269 O ARG A 16 7.391 -7.046 -5.139 1.00 0.45 O ATOM 270 CB ARG A 16 6.311 -9.449 -7.188 1.00 0.36 C ATOM 271 CG ARG A 16 4.991 -10.150 -7.453 1.00 0.45 C ATOM 272 CD ARG A 16 4.065 -10.028 -6.254 1.00 0.38 C ATOM 273 NE ARG A 16 4.486 -10.861 -5.124 1.00 0.32 N ATOM 274 CZ ARG A 16 4.473 -10.456 -3.855 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.193 -9.191 -3.556 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.757 -11.310 -2.878 1.00 0.51 N ATOM 0 H ARG A 16 5.983 -7.889 -9.091 1.00 0.32 H new ATOM 0 HA ARG A 16 5.311 -7.736 -6.368 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.990 -9.645 -8.018 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.767 -9.877 -6.295 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.514 -9.717 -8.332 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.171 -11.202 -7.674 1.00 0.45 H new ATOM 0 HD2 ARG A 16 4.025 -8.986 -5.936 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.055 -10.310 -6.551 1.00 0.38 H new ATOM 0 HE ARG A 16 4.809 -11.808 -5.321 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.987 -8.525 -4.300 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.185 -8.887 -2.582 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.986 -12.279 -3.098 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.746 -10.997 -1.907 1.00 0.51 H new ATOM 290 N ASP A 17 8.508 -7.317 -7.058 1.00 0.37 N ATOM 291 CA ASP A 17 9.746 -6.801 -6.507 1.00 0.42 C ATOM 292 C ASP A 17 9.897 -5.328 -6.861 1.00 0.36 C ATOM 293 O ASP A 17 10.525 -4.974 -7.860 1.00 0.46 O ATOM 294 CB ASP A 17 10.941 -7.606 -7.015 1.00 0.60 C ATOM 295 CG ASP A 17 12.219 -7.305 -6.259 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.414 -7.863 -5.160 1.00 1.94 O ATOM 297 OD2 ASP A 17 13.026 -6.494 -6.750 1.00 1.40 O ATOM 0 H ASP A 17 8.562 -7.605 -8.035 1.00 0.37 H new ATOM 0 HA ASP A 17 9.714 -6.898 -5.422 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.718 -8.670 -6.932 1.00 0.60 H new ATOM 0 HB3 ASP A 17 11.092 -7.394 -8.073 1.00 0.60 H new ATOM 302 N VAL A 18 9.265 -4.474 -6.067 1.00 0.31 N ATOM 303 CA VAL A 18 9.365 -3.037 -6.264 1.00 0.29 C ATOM 304 C VAL A 18 10.743 -2.540 -5.820 1.00 0.29 C ATOM 305 O VAL A 18 11.190 -2.835 -4.708 1.00 0.35 O ATOM 306 CB VAL A 18 8.228 -2.267 -5.526 1.00 0.36 C ATOM 307 CG1 VAL A 18 8.016 -2.756 -4.098 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.504 -0.775 -5.518 1.00 0.58 C ATOM 0 H VAL A 18 8.678 -4.753 -5.281 1.00 0.31 H new ATOM 0 HA VAL A 18 9.244 -2.836 -7.328 1.00 0.29 H new ATOM 0 HB VAL A 18 7.312 -2.467 -6.082 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.213 -2.184 -3.633 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.749 -3.813 -4.111 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.935 -2.621 -3.527 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.697 -0.259 -4.998 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.447 -0.582 -5.007 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.566 -0.411 -6.544 1.00 0.58 H new ATOM 318 N ASP A 19 11.442 -1.821 -6.704 1.00 0.34 N ATOM 319 CA ASP A 19 12.782 -1.326 -6.383 1.00 0.41 C ATOM 320 C ASP A 19 12.700 -0.096 -5.493 1.00 0.39 C ATOM 321 O ASP A 19 12.912 1.037 -5.927 1.00 0.46 O ATOM 322 CB ASP A 19 13.594 -1.013 -7.641 1.00 0.58 C ATOM 323 CG ASP A 19 15.060 -0.751 -7.329 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.401 0.404 -6.988 1.00 1.91 O ATOM 325 OD2 ASP A 19 15.876 -1.688 -7.422 1.00 1.28 O ATOM 0 H ASP A 19 11.107 -1.572 -7.635 1.00 0.34 H new ATOM 0 HA ASP A 19 13.298 -2.122 -5.846 1.00 0.41 H new ATOM 0 HB2 ASP A 19 13.516 -1.847 -8.338 1.00 0.58 H new ATOM 0 HB3 ASP A 19 13.169 -0.141 -8.138 1.00 0.58 H new ATOM 330 N CYS A 20 12.310 -0.341 -4.263 1.00 0.38 N ATOM 331 CA CYS A 20 12.215 0.682 -3.242 1.00 0.40 C ATOM 332 C CYS A 20 13.506 1.469 -3.045 1.00 0.38 C ATOM 333 O CYS A 20 13.463 2.621 -2.621 1.00 0.39 O ATOM 334 CB CYS A 20 11.762 0.033 -1.954 1.00 0.51 C ATOM 335 SG CYS A 20 10.001 -0.413 -2.016 1.00 0.93 S ATOM 0 H CYS A 20 12.045 -1.270 -3.937 1.00 0.38 H new ATOM 0 HA CYS A 20 11.484 1.421 -3.572 1.00 0.40 H new ATOM 0 HB2 CYS A 20 12.358 -0.860 -1.766 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.937 0.714 -1.121 1.00 0.51 H new ATOM 340 N ASP A 21 14.643 0.849 -3.346 1.00 0.47 N ATOM 341 CA ASP A 21 15.936 1.530 -3.252 1.00 0.59 C ATOM 342 C ASP A 21 15.908 2.842 -4.023 1.00 0.53 C ATOM 343 O ASP A 21 16.420 3.862 -3.562 1.00 0.64 O ATOM 344 CB ASP A 21 17.065 0.646 -3.789 1.00 0.85 C ATOM 345 CG ASP A 21 17.395 -0.509 -2.870 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.144 -0.293 -1.892 1.00 1.66 O ATOM 347 OD2 ASP A 21 16.920 -1.638 -3.130 1.00 2.26 O ATOM 0 H ASP A 21 14.699 -0.121 -3.656 1.00 0.47 H new ATOM 0 HA ASP A 21 16.124 1.736 -2.198 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.781 0.256 -4.767 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.958 1.254 -3.935 1.00 0.85 H new ATOM 352 N ASN A 22 15.295 2.806 -5.196 1.00 0.50 N ATOM 353 CA ASN A 22 15.150 3.993 -6.026 1.00 0.49 C ATOM 354 C ASN A 22 13.798 4.651 -5.797 1.00 0.42 C ATOM 355 O ASN A 22 13.713 5.849 -5.534 1.00 0.43 O ATOM 356 CB ASN A 22 15.279 3.615 -7.501 1.00 0.59 C ATOM 357 CG ASN A 22 15.229 4.817 -8.425 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.684 5.907 -8.079 1.00 1.07 O ATOM 359 ND2 ASN A 22 14.660 4.628 -9.603 1.00 1.14 N ATOM 0 H ASN A 22 14.887 1.962 -5.597 1.00 0.50 H new ATOM 0 HA ASN A 22 15.937 4.696 -5.753 1.00 0.49 H new ATOM 0 HB2 ASN A 22 16.219 3.084 -7.654 1.00 0.59 H new ATOM 0 HB3 ASN A 22 14.477 2.926 -7.766 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.586 5.402 -10.264 1.00 1.14 H new ATOM 0 HD22 ASN A 22 14.295 3.708 -9.852 1.00 1.14 H new ATOM 366 N ILE A 23 12.748 3.850 -5.894 1.00 0.40 N ATOM 367 CA ILE A 23 11.379 4.350 -5.814 1.00 0.38 C ATOM 368 C ILE A 23 11.102 5.096 -4.504 1.00 0.33 C ATOM 369 O ILE A 23 10.522 6.180 -4.523 1.00 0.34 O ATOM 370 CB ILE A 23 10.356 3.207 -6.015 1.00 0.39 C ATOM 371 CG1 ILE A 23 10.449 2.692 -7.454 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.937 3.669 -5.698 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.487 1.571 -7.775 1.00 0.48 C ATOM 0 H ILE A 23 12.817 2.841 -6.030 1.00 0.40 H new ATOM 0 HA ILE A 23 11.263 5.069 -6.625 1.00 0.38 H new ATOM 0 HB ILE A 23 10.595 2.398 -5.324 1.00 0.39 H new ATOM 0 HG12 ILE A 23 10.264 3.521 -8.137 1.00 0.45 H new ATOM 0 HG13 ILE A 23 11.466 2.347 -7.639 1.00 0.45 H new ATOM 0 HG21 ILE A 23 8.243 2.842 -5.849 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.886 4.001 -4.661 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.667 4.494 -6.357 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.618 1.265 -8.813 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.684 0.723 -7.119 1.00 0.48 H new ATOM 0 HD13 ILE A 23 8.464 1.915 -7.625 1.00 0.48 H new ATOM 385 N LEU A 24 11.542 4.552 -3.372 1.00 0.30 N ATOM 386 CA LEU A 24 11.290 5.201 -2.086 1.00 0.29 C ATOM 387 C LEU A 24 12.214 6.395 -1.887 1.00 0.32 C ATOM 388 O LEU A 24 11.988 7.225 -1.006 1.00 0.33 O ATOM 389 CB LEU A 24 11.464 4.232 -0.914 1.00 0.31 C ATOM 390 CG LEU A 24 10.513 3.034 -0.882 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.714 2.231 0.382 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.074 3.475 -0.966 1.00 1.01 C ATOM 0 H LEU A 24 12.066 3.679 -3.317 1.00 0.30 H new ATOM 0 HA LEU A 24 10.254 5.541 -2.106 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.487 3.857 -0.928 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.342 4.791 0.014 1.00 0.31 H new ATOM 0 HG LEU A 24 10.741 2.413 -1.749 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.029 1.383 0.387 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.741 1.868 0.423 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.517 2.862 1.249 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.423 2.601 -0.941 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.842 4.124 -0.121 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.914 4.020 -1.897 1.00 1.01 H new ATOM 404 N SER A 25 13.244 6.481 -2.716 1.00 0.36 N ATOM 405 CA SER A 25 14.222 7.551 -2.601 1.00 0.41 C ATOM 406 C SER A 25 13.692 8.829 -3.242 1.00 0.42 C ATOM 407 O SER A 25 14.270 9.904 -3.074 1.00 0.49 O ATOM 408 CB SER A 25 15.550 7.139 -3.249 1.00 0.50 C ATOM 409 OG SER A 25 16.551 8.123 -3.044 1.00 1.28 O ATOM 0 H SER A 25 13.423 5.823 -3.475 1.00 0.36 H new ATOM 0 HA SER A 25 14.399 7.742 -1.543 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.881 6.188 -2.832 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.403 6.984 -4.318 1.00 0.50 H new ATOM 0 HG SER A 25 16.134 9.008 -2.990 1.00 1.28 H new ATOM 415 N THR A 26 12.587 8.709 -3.969 1.00 0.41 N ATOM 416 CA THR A 26 11.970 9.861 -4.605 1.00 0.46 C ATOM 417 C THR A 26 11.234 10.702 -3.569 1.00 0.45 C ATOM 418 O THR A 26 11.077 10.285 -2.418 1.00 0.45 O ATOM 419 CB THR A 26 10.985 9.438 -5.713 1.00 0.49 C ATOM 420 OG1 THR A 26 9.907 8.669 -5.159 1.00 0.44 O ATOM 421 CG2 THR A 26 11.697 8.628 -6.785 1.00 0.56 C ATOM 0 H THR A 26 12.103 7.826 -4.131 1.00 0.41 H new ATOM 0 HA THR A 26 12.767 10.449 -5.060 1.00 0.46 H new ATOM 0 HB THR A 26 10.580 10.342 -6.168 1.00 0.49 H new ATOM 0 HG1 THR A 26 10.141 7.717 -5.177 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.984 8.340 -7.557 1.00 0.56 H new ATOM 0 HG22 THR A 26 12.489 9.230 -7.230 1.00 0.56 H new ATOM 0 HG23 THR A 26 12.129 7.733 -6.338 1.00 0.56 H new ATOM 429 N ASN A 27 10.756 11.868 -3.976 1.00 0.49 N ATOM 430 CA ASN A 27 10.083 12.779 -3.054 1.00 0.52 C ATOM 431 C ASN A 27 8.674 12.272 -2.755 1.00 0.52 C ATOM 432 O ASN A 27 7.997 12.753 -1.848 1.00 0.67 O ATOM 433 CB ASN A 27 10.041 14.197 -3.637 1.00 0.61 C ATOM 434 CG ASN A 27 9.603 15.242 -2.624 1.00 0.87 C ATOM 435 OD1 ASN A 27 10.416 15.753 -1.851 1.00 1.46 O ATOM 436 ND2 ASN A 27 8.325 15.586 -2.636 1.00 1.53 N ATOM 0 H ASN A 27 10.820 12.208 -4.936 1.00 0.49 H new ATOM 0 HA ASN A 27 10.643 12.815 -2.120 1.00 0.52 H new ATOM 0 HB2 ASN A 27 11.029 14.458 -4.016 1.00 0.61 H new ATOM 0 HB3 ASN A 27 9.359 14.215 -4.487 1.00 0.61 H new ATOM 0 HD21 ASN A 27 7.982 16.297 -1.990 1.00 1.53 H new ATOM 0 HD22 ASN A 27 7.683 15.140 -3.291 1.00 1.53 H new ATOM 443 N LEU A 28 8.256 11.265 -3.516 1.00 0.48 N ATOM 444 CA LEU A 28 6.953 10.637 -3.330 1.00 0.47 C ATOM 445 C LEU A 28 6.909 9.867 -2.011 1.00 0.45 C ATOM 446 O LEU A 28 5.841 9.617 -1.459 1.00 0.52 O ATOM 447 CB LEU A 28 6.649 9.702 -4.508 1.00 0.47 C ATOM 448 CG LEU A 28 5.317 8.947 -4.429 1.00 0.49 C ATOM 449 CD1 LEU A 28 4.151 9.917 -4.335 1.00 0.51 C ATOM 450 CD2 LEU A 28 5.156 8.033 -5.635 1.00 0.51 C ATOM 0 H LEU A 28 8.807 10.864 -4.274 1.00 0.48 H new ATOM 0 HA LEU A 28 6.192 11.416 -3.293 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.659 10.289 -5.426 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.455 8.973 -4.587 1.00 0.47 H new ATOM 0 HG LEU A 28 5.322 8.335 -3.527 1.00 0.49 H new ATOM 0 HD11 LEU A 28 3.217 9.358 -4.280 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.260 10.531 -3.441 1.00 0.51 H new ATOM 0 HD13 LEU A 28 4.139 10.558 -5.216 1.00 0.51 H new ATOM 0 HD21 LEU A 28 4.206 7.503 -5.566 1.00 0.51 H new ATOM 0 HD22 LEU A 28 5.174 8.628 -6.548 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.973 7.312 -5.656 1.00 0.51 H new ATOM 462 N PHE A 29 8.076 9.491 -1.508 1.00 0.42 N ATOM 463 CA PHE A 29 8.161 8.787 -0.233 1.00 0.40 C ATOM 464 C PHE A 29 9.135 9.489 0.699 1.00 0.42 C ATOM 465 O PHE A 29 8.932 9.517 1.912 1.00 0.48 O ATOM 466 CB PHE A 29 8.594 7.339 -0.446 1.00 0.36 C ATOM 467 CG PHE A 29 7.662 6.567 -1.332 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.508 5.998 -0.818 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.937 6.416 -2.679 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.648 5.292 -1.634 1.00 0.44 C ATOM 471 CE2 PHE A 29 7.081 5.712 -3.500 1.00 0.39 C ATOM 472 CZ PHE A 29 5.933 5.149 -2.977 1.00 0.42 C ATOM 0 H PHE A 29 8.975 9.660 -1.960 1.00 0.42 H new ATOM 0 HA PHE A 29 7.172 8.792 0.224 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.593 7.326 -0.882 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.661 6.841 0.521 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.279 6.108 0.232 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.833 6.855 -3.093 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.752 4.851 -1.222 1.00 0.44 H new ATOM 0 HE2 PHE A 29 7.308 5.601 -4.550 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.260 4.598 -3.617 1.00 0.42 H new ATOM 482 N HIS A 30 10.193 10.047 0.111 1.00 0.43 N ATOM 483 CA HIS A 30 11.207 10.792 0.847 1.00 0.52 C ATOM 484 C HIS A 30 11.922 9.873 1.834 1.00 0.45 C ATOM 485 O HIS A 30 12.352 10.301 2.904 1.00 0.48 O ATOM 486 CB HIS A 30 10.578 11.987 1.569 1.00 0.70 C ATOM 487 CG HIS A 30 11.551 13.087 1.831 1.00 1.23 C ATOM 488 ND1 HIS A 30 12.140 13.302 3.055 1.00 1.78 N ATOM 489 CD2 HIS A 30 12.058 14.024 0.998 1.00 2.07 C ATOM 490 CE1 HIS A 30 12.964 14.325 2.967 1.00 2.74 C ATOM 491 NE2 HIS A 30 12.934 14.782 1.728 1.00 2.97 N ATOM 0 H HIS A 30 10.369 9.993 -0.892 1.00 0.43 H new ATOM 0 HA HIS A 30 11.943 11.176 0.140 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.753 12.374 0.970 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.154 11.651 2.515 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.817 14.151 -0.047 1.00 2.07 H new ATOM 0 HE1 HIS A 30 13.563 14.723 3.772 1.00 2.74 H new ATOM 0 HE2 HIS A 30 13.475 15.571 1.373 1.00 2.97 H new ATOM 500 N CYS A 31 12.067 8.619 1.417 1.00 0.44 N ATOM 501 CA CYS A 31 12.632 7.546 2.232 1.00 0.45 C ATOM 502 C CYS A 31 12.175 7.586 3.692 1.00 0.40 C ATOM 503 O CYS A 31 12.882 8.065 4.583 1.00 0.47 O ATOM 504 CB CYS A 31 14.164 7.468 2.115 1.00 0.62 C ATOM 505 SG CYS A 31 15.067 9.042 2.270 1.00 1.10 S ATOM 0 H CYS A 31 11.790 8.313 0.484 1.00 0.44 H new ATOM 0 HA CYS A 31 12.228 6.623 1.816 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.531 6.786 2.882 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.411 7.025 1.150 1.00 0.62 H new ATOM 510 N LYS A 32 10.963 7.089 3.912 1.00 0.39 N ATOM 511 CA LYS A 32 10.414 6.913 5.250 1.00 0.43 C ATOM 512 C LYS A 32 11.028 5.680 5.921 1.00 0.45 C ATOM 513 O LYS A 32 11.898 5.028 5.345 1.00 0.55 O ATOM 514 CB LYS A 32 8.883 6.801 5.166 1.00 0.50 C ATOM 515 CG LYS A 32 8.382 5.636 4.320 1.00 0.53 C ATOM 516 CD LYS A 32 7.027 5.939 3.686 1.00 0.90 C ATOM 517 CE LYS A 32 5.959 6.260 4.726 1.00 2.05 C ATOM 518 NZ LYS A 32 5.612 5.085 5.567 1.00 2.72 N ATOM 0 H LYS A 32 10.333 6.796 3.165 1.00 0.39 H new ATOM 0 HA LYS A 32 10.664 7.779 5.863 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.482 6.700 6.175 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.485 7.729 4.756 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.108 5.416 3.538 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.302 4.744 4.941 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.129 6.781 3.002 1.00 0.90 H new ATOM 0 HD3 LYS A 32 6.707 5.083 3.092 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.311 7.069 5.366 1.00 2.05 H new ATOM 0 HE3 LYS A 32 5.062 6.619 4.222 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.666 4.740 5.307 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 6.311 4.330 5.414 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 5.616 5.362 6.569 1.00 2.72 H new ATOM 532 N ASP A 33 10.589 5.367 7.134 1.00 0.49 N ATOM 533 CA ASP A 33 11.093 4.194 7.854 1.00 0.54 C ATOM 534 C ASP A 33 10.764 2.912 7.091 1.00 0.48 C ATOM 535 O ASP A 33 11.631 2.066 6.872 1.00 0.51 O ATOM 536 CB ASP A 33 10.500 4.141 9.266 1.00 0.66 C ATOM 537 CG ASP A 33 10.911 2.902 10.038 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.094 2.813 10.433 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.064 2.006 10.235 1.00 2.06 O ATOM 0 H ASP A 33 9.887 5.905 7.642 1.00 0.49 H new ATOM 0 HA ASP A 33 12.177 4.278 7.933 1.00 0.54 H new ATOM 0 HB2 ASP A 33 10.813 5.027 9.819 1.00 0.66 H new ATOM 0 HB3 ASP A 33 9.413 4.176 9.198 1.00 0.66 H new ATOM 544 N LYS A 34 9.509 2.780 6.683 1.00 0.44 N ATOM 545 CA LYS A 34 9.095 1.661 5.843 1.00 0.41 C ATOM 546 C LYS A 34 7.765 1.948 5.157 1.00 0.38 C ATOM 547 O LYS A 34 7.024 2.835 5.572 1.00 0.43 O ATOM 548 CB LYS A 34 9.040 0.340 6.636 1.00 0.48 C ATOM 549 CG LYS A 34 8.366 0.399 8.002 1.00 0.95 C ATOM 550 CD LYS A 34 6.868 0.634 7.915 1.00 1.27 C ATOM 551 CE LYS A 34 6.149 0.039 9.111 1.00 1.96 C ATOM 552 NZ LYS A 34 6.798 0.416 10.394 1.00 2.60 N ATOM 0 H LYS A 34 8.760 3.432 6.919 1.00 0.44 H new ATOM 0 HA LYS A 34 9.852 1.542 5.068 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.520 -0.401 6.030 1.00 0.48 H new ATOM 0 HB3 LYS A 34 10.060 -0.019 6.773 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.551 -0.535 8.533 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.820 1.196 8.591 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.668 1.704 7.862 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.480 0.192 6.997 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.113 0.377 9.116 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.130 -1.047 9.019 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 6.165 0.181 11.185 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 7.691 -0.107 10.498 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.993 1.438 10.398 1.00 2.60 H new ATOM 566 N ASN A 35 7.484 1.205 4.094 1.00 0.37 N ATOM 567 CA ASN A 35 6.253 1.383 3.332 1.00 0.36 C ATOM 568 C ASN A 35 5.851 0.076 2.657 1.00 0.34 C ATOM 569 O ASN A 35 6.664 -0.560 1.987 1.00 0.38 O ATOM 570 CB ASN A 35 6.431 2.483 2.276 1.00 0.36 C ATOM 571 CG ASN A 35 5.138 2.827 1.559 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.366 3.668 2.021 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.900 2.192 0.424 1.00 0.35 N ATOM 0 H ASN A 35 8.095 0.470 3.738 1.00 0.37 H new ATOM 0 HA ASN A 35 5.463 1.681 4.022 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.825 3.379 2.755 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.172 2.161 1.544 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.050 2.392 -0.104 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.566 1.502 0.076 1.00 0.35 H new ATOM 580 N THR A 36 4.604 -0.328 2.849 1.00 0.32 N ATOM 581 CA THR A 36 4.093 -1.551 2.247 1.00 0.30 C ATOM 582 C THR A 36 3.360 -1.247 0.937 1.00 0.26 C ATOM 583 O THR A 36 2.442 -0.419 0.904 1.00 0.28 O ATOM 584 CB THR A 36 3.130 -2.278 3.211 1.00 0.36 C ATOM 585 OG1 THR A 36 3.757 -2.461 4.492 1.00 0.45 O ATOM 586 CG2 THR A 36 2.705 -3.628 2.649 1.00 0.37 C ATOM 0 H THR A 36 3.925 0.176 3.419 1.00 0.32 H new ATOM 0 HA THR A 36 4.947 -2.196 2.040 1.00 0.30 H new ATOM 0 HB THR A 36 2.240 -1.659 3.328 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.199 -3.335 4.518 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.027 -4.117 3.349 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.198 -3.482 1.695 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.585 -4.253 2.500 1.00 0.37 H new ATOM 594 N PHE A 37 3.775 -1.905 -0.140 1.00 0.21 N ATOM 595 CA PHE A 37 3.115 -1.756 -1.433 1.00 0.18 C ATOM 596 C PHE A 37 2.192 -2.935 -1.692 1.00 0.18 C ATOM 597 O PHE A 37 2.416 -4.036 -1.188 1.00 0.21 O ATOM 598 CB PHE A 37 4.133 -1.663 -2.576 1.00 0.17 C ATOM 599 CG PHE A 37 5.034 -0.467 -2.520 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.122 -0.435 -1.659 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.771 0.640 -3.305 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.923 0.681 -1.584 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.577 1.752 -3.240 1.00 0.20 C ATOM 604 CZ PHE A 37 6.744 1.707 -2.458 1.00 0.20 C ATOM 0 H PHE A 37 4.567 -2.548 -0.144 1.00 0.21 H new ATOM 0 HA PHE A 37 2.539 -0.831 -1.399 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.747 -2.563 -2.571 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.594 -1.650 -3.523 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.342 -1.294 -1.042 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.924 0.631 -3.976 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.694 0.742 -0.831 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.317 2.649 -3.783 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.492 2.481 -2.551 1.00 0.20 H new ATOM 614 N ILE A 38 1.158 -2.693 -2.473 1.00 0.18 N ATOM 615 CA ILE A 38 0.202 -3.721 -2.837 1.00 0.17 C ATOM 616 C ILE A 38 0.355 -4.075 -4.307 1.00 0.17 C ATOM 617 O ILE A 38 0.196 -3.217 -5.179 1.00 0.18 O ATOM 618 CB ILE A 38 -1.244 -3.241 -2.581 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.401 -2.805 -1.120 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.250 -4.337 -2.931 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.630 -1.963 -0.866 1.00 0.22 C ATOM 0 H ILE A 38 0.956 -1.777 -2.874 1.00 0.18 H new ATOM 0 HA ILE A 38 0.399 -4.599 -2.222 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.446 -2.385 -3.224 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.442 -3.692 -0.488 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.517 -2.241 -0.821 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.261 -3.976 -2.743 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.149 -4.601 -3.984 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.058 -5.217 -2.316 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.674 -1.692 0.189 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.582 -1.058 -1.471 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.521 -2.531 -1.132 1.00 0.22 H new ATOM 633 N TYR A 39 0.687 -5.326 -4.575 1.00 0.16 N ATOM 634 CA TYR A 39 0.762 -5.819 -5.937 1.00 0.17 C ATOM 635 C TYR A 39 -0.633 -6.173 -6.425 1.00 0.18 C ATOM 636 O TYR A 39 -1.120 -7.288 -6.223 1.00 0.18 O ATOM 637 CB TYR A 39 1.694 -7.033 -6.035 1.00 0.20 C ATOM 638 CG TYR A 39 1.688 -7.702 -7.391 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.222 -7.061 -8.504 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.154 -8.968 -7.560 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.224 -7.666 -9.743 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.151 -9.580 -8.797 1.00 0.34 C ATOM 643 CZ TYR A 39 1.668 -8.934 -9.880 1.00 0.35 C ATOM 644 OH TYR A 39 1.689 -9.535 -11.116 1.00 0.40 O ATOM 0 H TYR A 39 0.910 -6.021 -3.863 1.00 0.16 H new ATOM 0 HA TYR A 39 1.176 -5.035 -6.571 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.711 -6.718 -5.801 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.404 -7.763 -5.279 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.642 -6.072 -8.396 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.733 -9.485 -6.710 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.652 -7.162 -10.597 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.738 -10.572 -8.907 1.00 0.34 H new ATOM 0 HH TYR A 39 1.266 -10.417 -11.058 1.00 0.40 H new ATOM 654 N SER A 40 -1.273 -5.195 -7.030 1.00 0.23 N ATOM 655 CA SER A 40 -2.611 -5.340 -7.559 1.00 0.26 C ATOM 656 C SER A 40 -2.978 -4.036 -8.254 1.00 0.29 C ATOM 657 O SER A 40 -2.152 -3.124 -8.334 1.00 0.50 O ATOM 658 CB SER A 40 -3.613 -5.664 -6.432 1.00 0.25 C ATOM 659 OG SER A 40 -4.863 -6.096 -6.956 1.00 0.93 O ATOM 0 H SER A 40 -0.874 -4.267 -7.170 1.00 0.23 H new ATOM 0 HA SER A 40 -2.649 -6.167 -8.268 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.199 -6.440 -5.788 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.763 -4.781 -5.811 1.00 0.25 H new ATOM 0 HG SER A 40 -5.476 -6.295 -6.218 1.00 0.93 H new ATOM 665 N ARG A 41 -4.187 -3.937 -8.761 1.00 0.25 N ATOM 666 CA ARG A 41 -4.613 -2.720 -9.419 1.00 0.27 C ATOM 667 C ARG A 41 -5.465 -1.873 -8.492 1.00 0.22 C ATOM 668 O ARG A 41 -6.083 -2.376 -7.558 1.00 0.23 O ATOM 669 CB ARG A 41 -5.366 -3.026 -10.713 1.00 0.33 C ATOM 670 CG ARG A 41 -4.450 -3.467 -11.836 1.00 0.54 C ATOM 671 CD ARG A 41 -3.435 -2.382 -12.152 1.00 1.08 C ATOM 672 NE ARG A 41 -2.516 -2.758 -13.222 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.846 -1.877 -13.964 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.058 -0.572 -13.801 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.972 -2.301 -14.872 1.00 2.66 N ATOM 0 H ARG A 41 -4.888 -4.677 -8.731 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.719 -2.152 -9.676 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.102 -3.807 -10.523 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.916 -2.139 -11.026 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.934 -4.385 -11.553 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.038 -3.693 -12.725 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.961 -1.471 -12.436 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.863 -2.153 -11.253 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.379 -3.751 -13.412 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.733 -0.248 -13.108 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.545 0.103 -14.369 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.814 -3.301 -15.001 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.459 -1.627 -15.440 1.00 2.66 H new ATOM 689 N PRO A 42 -5.495 -0.567 -8.750 1.00 0.22 N ATOM 690 CA PRO A 42 -6.267 0.387 -7.956 1.00 0.21 C ATOM 691 C PRO A 42 -7.761 0.071 -7.951 1.00 0.20 C ATOM 692 O PRO A 42 -8.447 0.294 -6.960 1.00 0.23 O ATOM 693 CB PRO A 42 -5.999 1.731 -8.648 1.00 0.24 C ATOM 694 CG PRO A 42 -5.456 1.392 -9.991 1.00 0.25 C ATOM 695 CD PRO A 42 -4.760 0.081 -9.840 1.00 0.30 C ATOM 0 HA PRO A 42 -5.975 0.370 -6.906 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.914 2.317 -8.732 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.288 2.330 -8.078 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.256 1.325 -10.729 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.766 2.161 -10.337 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.802 -0.505 -10.758 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.706 0.211 -9.593 1.00 0.30 H new ATOM 703 N GLU A 43 -8.255 -0.490 -9.045 1.00 0.21 N ATOM 704 CA GLU A 43 -9.681 -0.741 -9.187 1.00 0.25 C ATOM 705 C GLU A 43 -10.174 -1.835 -8.229 1.00 0.23 C ATOM 706 O GLU A 43 -11.111 -1.604 -7.463 1.00 0.24 O ATOM 707 CB GLU A 43 -10.007 -1.081 -10.637 1.00 0.36 C ATOM 708 CG GLU A 43 -9.995 0.131 -11.552 1.00 0.48 C ATOM 709 CD GLU A 43 -10.978 1.197 -11.107 1.00 1.60 C ATOM 710 OE1 GLU A 43 -12.193 0.995 -11.296 1.00 1.99 O ATOM 711 OE2 GLU A 43 -10.543 2.238 -10.569 1.00 2.36 O ATOM 0 H GLU A 43 -7.691 -0.779 -9.845 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.213 0.170 -8.913 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.286 -1.812 -11.003 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.989 -1.552 -10.681 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.991 0.554 -11.578 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.236 -0.181 -12.568 1.00 0.48 H new ATOM 718 N PRO A 44 -9.558 -3.037 -8.245 1.00 0.24 N ATOM 719 CA PRO A 44 -9.921 -4.121 -7.323 1.00 0.26 C ATOM 720 C PRO A 44 -9.637 -3.774 -5.861 1.00 0.24 C ATOM 721 O PRO A 44 -10.200 -4.380 -4.954 1.00 0.27 O ATOM 722 CB PRO A 44 -9.047 -5.297 -7.775 1.00 0.30 C ATOM 723 CG PRO A 44 -7.928 -4.681 -8.532 1.00 0.36 C ATOM 724 CD PRO A 44 -8.500 -3.453 -9.176 1.00 0.27 C ATOM 0 HA PRO A 44 -10.990 -4.332 -7.359 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.679 -5.865 -6.921 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.611 -5.990 -8.400 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.101 -4.426 -7.870 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.536 -5.369 -9.281 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.745 -2.676 -9.299 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.900 -3.669 -10.167 1.00 0.27 H new ATOM 732 N VAL A 45 -8.781 -2.783 -5.634 1.00 0.20 N ATOM 733 CA VAL A 45 -8.475 -2.353 -4.274 1.00 0.19 C ATOM 734 C VAL A 45 -9.479 -1.291 -3.827 1.00 0.17 C ATOM 735 O VAL A 45 -9.843 -1.215 -2.656 1.00 0.18 O ATOM 736 CB VAL A 45 -7.028 -1.815 -4.150 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.764 -1.239 -2.765 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.025 -2.919 -4.457 1.00 0.23 C ATOM 0 H VAL A 45 -8.291 -2.267 -6.365 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.554 -3.223 -3.622 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.910 -1.011 -4.877 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.739 -0.871 -2.713 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.455 -0.418 -2.575 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.909 -2.016 -2.014 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -5.012 -2.526 -4.366 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.161 -3.740 -3.753 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.183 -3.282 -5.472 1.00 0.23 H new ATOM 748 N LYS A 46 -9.954 -0.496 -4.776 1.00 0.15 N ATOM 749 CA LYS A 46 -11.009 0.467 -4.496 1.00 0.15 C ATOM 750 C LYS A 46 -12.330 -0.268 -4.280 1.00 0.17 C ATOM 751 O LYS A 46 -13.233 0.228 -3.606 1.00 0.20 O ATOM 752 CB LYS A 46 -11.138 1.470 -5.646 1.00 0.17 C ATOM 753 CG LYS A 46 -12.008 2.671 -5.316 1.00 0.20 C ATOM 754 CD LYS A 46 -12.065 3.653 -6.471 1.00 0.27 C ATOM 755 CE LYS A 46 -12.738 4.949 -6.060 1.00 0.37 C ATOM 756 NZ LYS A 46 -14.148 4.745 -5.631 1.00 1.36 N ATOM 0 H LYS A 46 -9.627 -0.499 -5.742 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.755 1.018 -3.590 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -10.144 1.819 -5.925 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.553 0.960 -6.516 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -13.016 2.335 -5.073 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.617 3.172 -4.430 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -11.055 3.861 -6.824 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.608 3.207 -7.304 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.176 5.405 -5.245 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.713 5.649 -6.895 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.620 5.667 -5.540 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.647 4.170 -6.339 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.164 4.255 -4.714 1.00 1.36 H new ATOM 770 N ALA A 47 -12.412 -1.472 -4.838 1.00 0.18 N ATOM 771 CA ALA A 47 -13.601 -2.307 -4.720 1.00 0.22 C ATOM 772 C ALA A 47 -13.734 -2.875 -3.315 1.00 0.22 C ATOM 773 O ALA A 47 -14.783 -3.401 -2.944 1.00 0.27 O ATOM 774 CB ALA A 47 -13.559 -3.428 -5.743 1.00 0.26 C ATOM 0 H ALA A 47 -11.660 -1.894 -5.382 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.474 -1.684 -4.915 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.453 -4.044 -5.644 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.520 -3.004 -6.746 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.674 -4.042 -5.574 1.00 0.26 H new ATOM 780 N ILE A 48 -12.664 -2.779 -2.537 1.00 0.20 N ATOM 781 CA ILE A 48 -12.709 -3.170 -1.138 1.00 0.21 C ATOM 782 C ILE A 48 -13.578 -2.186 -0.364 1.00 0.21 C ATOM 783 O ILE A 48 -14.274 -2.550 0.587 1.00 0.23 O ATOM 784 CB ILE A 48 -11.294 -3.218 -0.524 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.388 -4.105 -1.381 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.349 -3.735 0.909 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.938 -4.077 -0.962 1.00 0.21 C ATOM 0 H ILE A 48 -11.757 -2.434 -2.852 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.137 -4.171 -1.074 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.883 -2.208 -0.504 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.751 -5.132 -1.334 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.463 -3.788 -2.421 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.342 -3.762 1.325 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.973 -3.074 1.511 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.772 -4.740 0.917 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.358 -4.729 -1.615 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.558 -3.058 -1.036 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.850 -4.423 0.068 1.00 0.21 H new ATOM 799 N CYS A 49 -13.566 -0.938 -0.818 1.00 0.20 N ATOM 800 CA CYS A 49 -14.341 0.118 -0.194 1.00 0.21 C ATOM 801 C CYS A 49 -15.629 0.377 -0.968 1.00 0.25 C ATOM 802 O CYS A 49 -16.239 1.443 -0.851 1.00 0.25 O ATOM 803 CB CYS A 49 -13.485 1.375 -0.119 1.00 0.19 C ATOM 804 SG CYS A 49 -11.992 1.146 0.889 1.00 0.18 S ATOM 0 H CYS A 49 -13.021 -0.635 -1.625 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.626 -0.185 0.813 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.196 1.674 -1.127 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -14.078 2.189 0.297 1.00 0.19 H new ATOM 809 N LYS A 50 -16.040 -0.615 -1.750 1.00 0.32 N ATOM 810 CA LYS A 50 -17.278 -0.538 -2.514 1.00 0.40 C ATOM 811 C LYS A 50 -18.483 -0.351 -1.593 1.00 0.39 C ATOM 812 O LYS A 50 -18.803 -1.221 -0.782 1.00 0.47 O ATOM 813 CB LYS A 50 -17.463 -1.806 -3.352 1.00 0.54 C ATOM 814 CG LYS A 50 -18.745 -1.818 -4.170 1.00 0.68 C ATOM 815 CD LYS A 50 -18.946 -3.146 -4.889 1.00 0.92 C ATOM 816 CE LYS A 50 -17.858 -3.408 -5.921 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.799 -2.339 -6.952 1.00 2.33 N ATOM 0 H LYS A 50 -15.528 -1.489 -1.871 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.210 0.326 -3.175 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.612 -1.913 -4.025 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.457 -2.672 -2.690 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.595 -1.627 -3.515 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.717 -1.010 -4.901 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.955 -3.955 -4.159 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.919 -3.148 -5.380 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -16.893 -3.482 -5.420 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -18.040 -4.368 -6.404 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -17.209 -2.656 -7.747 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -18.759 -2.133 -7.294 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -17.388 -1.479 -6.537 1.00 2.33 H new ATOM 831 N GLY A 51 -19.131 0.799 -1.723 1.00 0.36 N ATOM 832 CA GLY A 51 -20.348 1.070 -0.980 1.00 0.38 C ATOM 833 C GLY A 51 -20.098 1.591 0.424 1.00 0.37 C ATOM 834 O GLY A 51 -21.014 1.633 1.243 1.00 0.44 O ATOM 0 H GLY A 51 -18.832 1.557 -2.337 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.944 1.799 -1.529 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.939 0.156 -0.920 1.00 0.38 H new ATOM 838 N ILE A 52 -18.871 2.013 0.705 1.00 0.31 N ATOM 839 CA ILE A 52 -18.517 2.460 2.044 1.00 0.29 C ATOM 840 C ILE A 52 -18.270 3.962 2.049 1.00 0.29 C ATOM 841 O ILE A 52 -17.174 4.424 1.727 1.00 0.27 O ATOM 842 CB ILE A 52 -17.259 1.742 2.575 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.343 0.235 2.306 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.087 2.013 4.067 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.477 -0.462 3.029 1.00 0.33 C ATOM 0 H ILE A 52 -18.110 2.055 0.027 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.355 2.216 2.697 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.388 2.133 2.049 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.457 0.074 1.234 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.401 -0.228 2.599 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.196 1.501 4.429 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.982 3.085 4.232 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.961 1.647 4.606 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.466 -1.524 2.785 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.355 -0.336 4.105 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.428 -0.028 2.718 1.00 0.33 H new ATOM 857 N ILE A 53 -19.295 4.721 2.388 1.00 0.33 N ATOM 858 CA ILE A 53 -19.207 6.170 2.368 1.00 0.35 C ATOM 859 C ILE A 53 -18.618 6.698 3.668 1.00 0.34 C ATOM 860 O ILE A 53 -17.613 7.412 3.661 1.00 0.35 O ATOM 861 CB ILE A 53 -20.584 6.812 2.129 1.00 0.40 C ATOM 862 CG1 ILE A 53 -21.220 6.266 0.853 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.473 8.322 2.058 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.259 6.152 -0.308 1.00 0.55 C ATOM 0 H ILE A 53 -20.202 4.357 2.682 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.548 6.441 1.543 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.224 6.555 2.973 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.642 5.283 1.061 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -22.048 6.914 0.565 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.460 8.752 1.888 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.068 8.702 2.996 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.811 8.600 1.238 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -20.784 5.757 -1.178 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.855 7.137 -0.544 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -19.443 5.480 -0.041 1.00 0.55 H new ATOM 876 N ALA A 54 -19.255 6.349 4.777 1.00 0.37 N ATOM 877 CA ALA A 54 -18.761 6.730 6.090 1.00 0.38 C ATOM 878 C ALA A 54 -17.445 6.024 6.386 1.00 0.33 C ATOM 879 O ALA A 54 -17.306 4.830 6.117 1.00 0.32 O ATOM 880 CB ALA A 54 -19.790 6.410 7.164 1.00 0.46 C ATOM 0 H ALA A 54 -20.116 5.802 4.792 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.587 7.806 6.093 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.401 6.703 8.139 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.710 6.958 6.961 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.997 5.340 7.162 1.00 0.46 H new ATOM 886 N SER A 55 -16.490 6.780 6.916 1.00 0.34 N ATOM 887 CA SER A 55 -15.172 6.282 7.250 1.00 0.34 C ATOM 888 C SER A 55 -15.237 5.004 8.087 1.00 0.32 C ATOM 889 O SER A 55 -15.565 5.038 9.279 1.00 0.36 O ATOM 890 CB SER A 55 -14.449 7.376 8.021 1.00 0.41 C ATOM 891 OG SER A 55 -14.964 8.650 7.675 1.00 1.42 O ATOM 0 H SER A 55 -16.617 7.770 7.127 1.00 0.34 H new ATOM 0 HA SER A 55 -14.640 6.029 6.333 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.563 7.210 9.092 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.382 7.337 7.804 1.00 0.41 H new ATOM 0 HG SER A 55 -14.224 9.254 7.458 1.00 1.42 H new ATOM 897 N LYS A 56 -14.939 3.881 7.457 1.00 0.30 N ATOM 898 CA LYS A 56 -14.943 2.598 8.138 1.00 0.31 C ATOM 899 C LYS A 56 -13.671 1.824 7.817 1.00 0.29 C ATOM 900 O LYS A 56 -13.279 1.722 6.656 1.00 0.27 O ATOM 901 CB LYS A 56 -16.157 1.764 7.714 1.00 0.34 C ATOM 902 CG LYS A 56 -16.278 0.442 8.461 1.00 0.40 C ATOM 903 CD LYS A 56 -17.002 -0.610 7.632 1.00 0.51 C ATOM 904 CE LYS A 56 -18.408 -0.180 7.254 1.00 0.94 C ATOM 905 NZ LYS A 56 -19.313 -0.131 8.431 1.00 1.71 N ATOM 0 H LYS A 56 -14.690 3.832 6.469 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.994 2.788 9.210 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -17.063 2.348 7.876 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.094 1.563 6.644 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.284 0.079 8.721 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.815 0.601 9.396 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -16.430 -0.812 6.726 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.049 -1.543 8.194 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.372 0.803 6.784 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -18.812 -0.872 6.515 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -20.266 0.151 8.125 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.356 -1.070 8.876 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.952 0.561 9.118 1.00 1.71 H new ATOM 919 N ASN A 57 -13.030 1.290 8.841 1.00 0.36 N ATOM 920 CA ASN A 57 -11.874 0.427 8.644 1.00 0.37 C ATOM 921 C ASN A 57 -12.338 -0.972 8.269 1.00 0.33 C ATOM 922 O ASN A 57 -12.959 -1.662 9.080 1.00 0.41 O ATOM 923 CB ASN A 57 -11.017 0.368 9.910 1.00 0.50 C ATOM 924 CG ASN A 57 -10.300 1.672 10.199 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.949 2.418 9.286 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.080 1.960 11.472 1.00 1.13 N ATOM 0 H ASN A 57 -13.288 1.437 9.817 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.267 0.839 7.838 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.650 0.111 10.759 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.282 -0.430 9.808 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.604 2.826 11.724 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.386 1.316 12.201 1.00 1.13 H new ATOM 933 N VAL A 58 -12.066 -1.383 7.041 1.00 0.28 N ATOM 934 CA VAL A 58 -12.510 -2.688 6.576 1.00 0.27 C ATOM 935 C VAL A 58 -11.318 -3.605 6.313 1.00 0.25 C ATOM 936 O VAL A 58 -10.283 -3.174 5.797 1.00 0.25 O ATOM 937 CB VAL A 58 -13.389 -2.584 5.303 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.480 -1.536 5.479 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.556 -2.287 4.071 1.00 0.57 C ATOM 0 H VAL A 58 -11.545 -0.838 6.354 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.122 -3.116 7.370 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.864 -3.554 5.155 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.083 -1.482 4.572 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.115 -1.810 6.321 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.024 -0.564 5.669 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.207 -2.221 3.199 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.033 -1.340 4.205 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.829 -3.085 3.922 1.00 0.57 H new ATOM 949 N LEU A 59 -11.460 -4.861 6.701 1.00 0.28 N ATOM 950 CA LEU A 59 -10.417 -5.852 6.516 1.00 0.26 C ATOM 951 C LEU A 59 -10.751 -6.702 5.289 1.00 0.26 C ATOM 952 O LEU A 59 -11.914 -7.043 5.062 1.00 0.30 O ATOM 953 CB LEU A 59 -10.323 -6.705 7.789 1.00 0.30 C ATOM 954 CG LEU A 59 -9.095 -7.606 7.943 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.283 -8.924 7.219 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.852 -6.897 7.448 1.00 0.67 C ATOM 0 H LEU A 59 -12.301 -5.221 7.152 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.450 -5.379 6.345 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.359 -6.034 8.647 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.211 -7.335 7.839 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.972 -7.825 9.004 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.393 -9.540 7.348 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.148 -9.445 7.630 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.443 -8.736 6.157 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.989 -7.552 7.565 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.974 -6.641 6.395 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.698 -5.986 8.027 1.00 0.67 H new ATOM 968 N THR A 60 -9.743 -7.027 4.494 1.00 0.22 N ATOM 969 CA THR A 60 -9.961 -7.752 3.249 1.00 0.22 C ATOM 970 C THR A 60 -10.201 -9.235 3.497 1.00 0.24 C ATOM 971 O THR A 60 -9.597 -9.839 4.375 1.00 0.33 O ATOM 972 CB THR A 60 -8.775 -7.573 2.283 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.551 -7.963 2.918 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.670 -6.131 1.822 1.00 0.24 C ATOM 0 H THR A 60 -8.767 -6.801 4.687 1.00 0.22 H new ATOM 0 HA THR A 60 -10.855 -7.329 2.791 1.00 0.22 H new ATOM 0 HB THR A 60 -8.949 -8.209 1.415 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.264 -8.833 2.569 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.826 -6.027 1.141 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.588 -5.845 1.308 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.521 -5.483 2.686 1.00 0.24 H new ATOM 982 N THR A 61 -11.081 -9.815 2.707 1.00 0.27 N ATOM 983 CA THR A 61 -11.467 -11.207 2.859 1.00 0.33 C ATOM 984 C THR A 61 -10.360 -12.167 2.428 1.00 0.33 C ATOM 985 O THR A 61 -10.322 -13.325 2.848 1.00 0.43 O ATOM 986 CB THR A 61 -12.726 -11.469 2.033 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.574 -10.874 0.735 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.945 -10.882 2.723 1.00 0.46 C ATOM 0 H THR A 61 -11.551 -9.335 1.939 1.00 0.27 H new ATOM 0 HA THR A 61 -11.657 -11.388 3.917 1.00 0.33 H new ATOM 0 HB THR A 61 -12.867 -12.545 1.932 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.379 -11.042 0.202 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.833 -11.077 2.122 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.064 -11.341 3.705 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.815 -9.806 2.839 1.00 0.46 H new ATOM 996 N SER A 62 -9.449 -11.669 1.619 1.00 0.28 N ATOM 997 CA SER A 62 -8.396 -12.490 1.050 1.00 0.31 C ATOM 998 C SER A 62 -7.049 -11.796 1.204 1.00 0.26 C ATOM 999 O SER A 62 -6.992 -10.581 1.419 1.00 0.24 O ATOM 1000 CB SER A 62 -8.682 -12.753 -0.430 1.00 0.41 C ATOM 1001 OG SER A 62 -9.990 -13.266 -0.614 1.00 1.09 O ATOM 0 H SER A 62 -9.415 -10.689 1.337 1.00 0.28 H new ATOM 0 HA SER A 62 -8.365 -13.441 1.581 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.568 -11.828 -0.995 1.00 0.41 H new ATOM 0 HB3 SER A 62 -7.952 -13.460 -0.825 1.00 0.41 H new ATOM 0 HG SER A 62 -10.148 -13.424 -1.568 1.00 1.09 H new ATOM 1007 N GLU A 63 -5.972 -12.566 1.111 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.633 -12.011 1.194 1.00 0.23 C ATOM 1009 C GLU A 63 -4.216 -11.479 -0.165 1.00 0.24 C ATOM 1010 O GLU A 63 -4.444 -12.123 -1.190 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.602 -13.055 1.658 1.00 0.25 C ATOM 1012 CG GLU A 63 -3.995 -13.840 2.900 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.087 -14.849 2.631 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.115 -15.420 1.522 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -5.923 -15.071 3.521 1.00 2.06 O ATOM 0 H GLU A 63 -6.003 -13.577 0.978 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.658 -11.208 1.930 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.427 -13.757 0.843 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.656 -12.549 1.851 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.118 -14.356 3.291 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.329 -13.147 3.672 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.620 -10.306 -0.166 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.108 -9.712 -1.383 1.00 0.17 C ATOM 1024 C PHE A 64 -1.602 -9.861 -1.430 1.00 0.16 C ATOM 1025 O PHE A 64 -0.968 -10.178 -0.422 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.495 -8.238 -1.476 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.949 -8.012 -1.784 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.913 -8.135 -0.795 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.351 -7.676 -3.067 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.248 -7.929 -1.081 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.686 -7.467 -3.357 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.635 -7.594 -2.364 1.00 0.28 C ATOM 0 H PHE A 64 -3.477 -9.740 0.671 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.549 -10.231 -2.234 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.252 -7.748 -0.533 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.891 -7.761 -2.248 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.616 -8.395 0.210 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.613 -7.576 -3.849 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -7.989 -8.030 -0.302 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.986 -7.204 -4.361 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.679 -7.432 -2.589 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.028 -9.638 -2.596 1.00 0.17 N ATOM 1043 CA TYR A 65 0.405 -9.769 -2.762 1.00 0.16 C ATOM 1044 C TYR A 65 1.084 -8.484 -2.338 1.00 0.16 C ATOM 1045 O TYR A 65 1.051 -7.490 -3.049 1.00 0.18 O ATOM 1046 CB TYR A 65 0.749 -10.110 -4.210 1.00 0.20 C ATOM 1047 CG TYR A 65 0.067 -11.361 -4.702 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.450 -12.609 -4.235 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -0.968 -11.290 -5.623 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.177 -13.756 -4.674 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.603 -12.434 -6.068 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.203 -13.664 -5.591 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.831 -14.806 -6.030 1.00 0.66 O ATOM 0 H TYR A 65 -1.531 -9.366 -3.440 1.00 0.17 H new ATOM 0 HA TYR A 65 0.764 -10.583 -2.132 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.467 -9.274 -4.850 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.828 -10.232 -4.302 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.252 -12.684 -3.516 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.282 -10.327 -5.998 1.00 0.40 H new ATOM 0 HE1 TYR A 65 0.134 -14.721 -4.302 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.408 -12.365 -6.785 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.532 -14.568 -6.672 1.00 0.66 H new ATOM 1063 N LEU A 66 1.677 -8.503 -1.165 1.00 0.15 N ATOM 1064 CA LEU A 66 2.253 -7.304 -0.597 1.00 0.16 C ATOM 1065 C LEU A 66 3.761 -7.301 -0.767 1.00 0.16 C ATOM 1066 O LEU A 66 4.391 -8.361 -0.877 1.00 0.20 O ATOM 1067 CB LEU A 66 1.879 -7.189 0.881 1.00 0.18 C ATOM 1068 CG LEU A 66 0.375 -7.211 1.161 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.111 -7.108 2.653 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.329 -6.089 0.408 1.00 0.19 C ATOM 0 H LEU A 66 1.773 -9.337 -0.585 1.00 0.15 H new ATOM 0 HA LEU A 66 1.850 -6.441 -1.127 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.349 -8.008 1.426 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.295 -6.263 1.277 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.027 -8.160 0.807 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.964 -7.125 2.834 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.579 -7.949 3.164 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.528 -6.175 3.033 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.397 -6.122 0.621 1.00 0.19 H new ATOM 0 HD22 LEU A 66 0.075 -5.128 0.727 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.168 -6.213 -0.663 1.00 0.19 H new ATOM 1082 N SER A 67 4.323 -6.114 -0.843 1.00 0.17 N ATOM 1083 CA SER A 67 5.755 -5.951 -0.866 1.00 0.18 C ATOM 1084 C SER A 67 6.143 -4.940 0.201 1.00 0.22 C ATOM 1085 O SER A 67 5.846 -3.750 0.081 1.00 0.26 O ATOM 1086 CB SER A 67 6.194 -5.476 -2.251 1.00 0.22 C ATOM 1087 OG SER A 67 5.671 -6.322 -3.265 1.00 0.29 O ATOM 0 H SER A 67 3.800 -5.240 -0.890 1.00 0.17 H new ATOM 0 HA SER A 67 6.251 -6.899 -0.659 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.854 -4.453 -2.414 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.282 -5.463 -2.308 1.00 0.22 H new ATOM 0 HG SER A 67 6.403 -6.823 -3.683 1.00 0.29 H new ATOM 1093 N ASP A 68 6.779 -5.423 1.252 1.00 0.26 N ATOM 1094 CA ASP A 68 7.151 -4.571 2.368 1.00 0.34 C ATOM 1095 C ASP A 68 8.548 -4.025 2.164 1.00 0.29 C ATOM 1096 O ASP A 68 9.492 -4.776 1.942 1.00 0.34 O ATOM 1097 CB ASP A 68 7.083 -5.332 3.697 1.00 0.46 C ATOM 1098 CG ASP A 68 5.671 -5.723 4.091 1.00 1.12 C ATOM 1099 OD1 ASP A 68 4.915 -4.843 4.568 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.310 -6.906 3.913 1.00 2.01 O ATOM 0 H ASP A 68 7.049 -6.401 1.357 1.00 0.26 H new ATOM 0 HA ASP A 68 6.440 -3.746 2.409 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.695 -6.231 3.625 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.515 -4.714 4.484 1.00 0.46 H new ATOM 1105 N CYS A 69 8.673 -2.718 2.216 1.00 0.28 N ATOM 1106 CA CYS A 69 9.962 -2.078 2.072 1.00 0.26 C ATOM 1107 C CYS A 69 10.332 -1.358 3.349 1.00 0.30 C ATOM 1108 O CYS A 69 9.630 -0.446 3.770 1.00 0.35 O ATOM 1109 CB CYS A 69 9.917 -1.108 0.901 1.00 0.25 C ATOM 1110 SG CYS A 69 9.828 -1.939 -0.708 1.00 0.62 S ATOM 0 H CYS A 69 7.894 -2.075 2.358 1.00 0.28 H new ATOM 0 HA CYS A 69 10.723 -2.833 1.876 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.053 -0.453 1.013 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.804 -0.474 0.927 1.00 0.25 H new ATOM 1115 N ASN A 70 11.434 -1.762 3.956 1.00 0.35 N ATOM 1116 CA ASN A 70 11.856 -1.176 5.221 1.00 0.42 C ATOM 1117 C ASN A 70 13.313 -0.747 5.173 1.00 0.44 C ATOM 1118 O ASN A 70 14.135 -1.354 4.482 1.00 0.49 O ATOM 1119 CB ASN A 70 11.606 -2.149 6.385 1.00 0.51 C ATOM 1120 CG ASN A 70 12.104 -3.564 6.124 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.099 -3.780 5.437 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.399 -4.543 6.670 1.00 1.08 N ATOM 0 H ASN A 70 12.052 -2.490 3.597 1.00 0.35 H new ATOM 0 HA ASN A 70 11.255 -0.283 5.391 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.093 -1.762 7.280 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.537 -2.183 6.594 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.677 -5.514 6.526 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.578 -4.326 7.235 1.00 1.08 H new ATOM 1129 N VAL A 71 13.609 0.340 5.874 1.00 0.47 N ATOM 1130 CA VAL A 71 14.955 0.882 5.916 1.00 0.51 C ATOM 1131 C VAL A 71 15.878 -0.082 6.663 1.00 0.56 C ATOM 1132 O VAL A 71 15.503 -0.648 7.694 1.00 0.60 O ATOM 1133 CB VAL A 71 14.964 2.288 6.571 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.680 2.217 8.063 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.273 3.008 6.300 1.00 0.82 C ATOM 0 H VAL A 71 12.928 0.864 6.423 1.00 0.47 H new ATOM 0 HA VAL A 71 15.323 0.994 4.896 1.00 0.51 H new ATOM 0 HB VAL A 71 14.159 2.864 6.114 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.695 3.222 8.484 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.699 1.770 8.226 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.442 1.608 8.550 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.252 3.991 6.771 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.099 2.427 6.710 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.409 3.123 5.225 1.00 0.82 H new ATOM 1145 N THR A 72 17.066 -0.302 6.125 1.00 0.58 N ATOM 1146 CA THR A 72 17.946 -1.325 6.664 1.00 0.64 C ATOM 1147 C THR A 72 19.220 -0.745 7.274 1.00 0.75 C ATOM 1148 O THR A 72 19.169 -0.031 8.279 1.00 0.93 O ATOM 1149 CB THR A 72 18.304 -2.363 5.582 1.00 0.71 C ATOM 1150 OG1 THR A 72 18.722 -1.695 4.382 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.115 -3.264 5.283 1.00 0.78 C ATOM 0 H THR A 72 17.440 0.208 5.325 1.00 0.58 H new ATOM 0 HA THR A 72 17.396 -1.815 7.467 1.00 0.64 H new ATOM 0 HB THR A 72 19.121 -2.981 5.956 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.949 -2.360 3.699 1.00 0.78 H new ATOM 0 HG21 THR A 72 17.391 -3.988 4.517 1.00 0.78 H new ATOM 0 HG22 THR A 72 16.820 -3.791 6.191 1.00 0.78 H new ATOM 0 HG23 THR A 72 16.281 -2.659 4.927 1.00 0.78 H new ATOM 1159 N SER A 73 20.353 -1.031 6.649 1.00 0.86 N ATOM 1160 CA SER A 73 21.650 -0.703 7.214 1.00 1.02 C ATOM 1161 C SER A 73 22.072 0.709 6.849 1.00 0.90 C ATOM 1162 O SER A 73 22.913 1.309 7.517 1.00 0.99 O ATOM 1163 CB SER A 73 22.682 -1.722 6.733 1.00 1.33 C ATOM 1164 OG SER A 73 22.404 -2.144 5.401 1.00 1.87 O ATOM 0 H SER A 73 20.398 -1.494 5.741 1.00 0.86 H new ATOM 0 HA SER A 73 21.581 -0.746 8.301 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.679 -1.284 6.778 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.683 -2.585 7.399 1.00 1.33 H new ATOM 0 HG SER A 73 23.080 -2.794 5.116 1.00 1.87 H new ATOM 1170 N ARG A 74 21.483 1.243 5.794 1.00 0.81 N ATOM 1171 CA ARG A 74 21.780 2.597 5.378 1.00 0.76 C ATOM 1172 C ARG A 74 20.521 3.440 5.349 1.00 0.68 C ATOM 1173 O ARG A 74 19.429 2.931 5.083 1.00 0.63 O ATOM 1174 CB ARG A 74 22.431 2.617 3.999 1.00 0.88 C ATOM 1175 CG ARG A 74 23.879 2.167 3.986 1.00 1.40 C ATOM 1176 CD ARG A 74 24.465 2.268 2.589 1.00 1.55 C ATOM 1177 NE ARG A 74 24.333 3.621 2.050 1.00 2.35 N ATOM 1178 CZ ARG A 74 24.754 3.998 0.849 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.276 3.111 0.011 1.00 2.41 N ATOM 1180 NH2 ARG A 74 24.616 5.261 0.474 1.00 3.76 N ATOM 0 H ARG A 74 20.798 0.759 5.213 1.00 0.81 H new ATOM 0 HA ARG A 74 22.476 3.016 6.105 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.857 1.976 3.330 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.374 3.629 3.598 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.461 2.780 4.674 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.948 1.138 4.340 1.00 1.40 H new ATOM 0 HD2 ARG A 74 25.518 1.986 2.613 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.961 1.562 1.930 1.00 1.55 H new ATOM 0 HE ARG A 74 23.886 4.324 2.638 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.356 2.133 0.288 1.00 2.41 H new ATOM 0 HH12 ARG A 74 25.598 3.408 -0.910 1.00 2.41 H new ATOM 0 HH21 ARG A 74 24.188 5.937 1.107 1.00 3.76 H new ATOM 0 HH22 ARG A 74 24.937 5.557 -0.448 1.00 3.76 H new ATOM 1194 N PRO A 75 20.656 4.737 5.635 1.00 0.74 N ATOM 1195 CA PRO A 75 19.552 5.684 5.521 1.00 0.74 C ATOM 1196 C PRO A 75 19.019 5.743 4.096 1.00 0.65 C ATOM 1197 O PRO A 75 19.788 5.858 3.137 1.00 0.70 O ATOM 1198 CB PRO A 75 20.170 7.026 5.922 1.00 0.92 C ATOM 1199 CG PRO A 75 21.396 6.675 6.691 1.00 1.05 C ATOM 1200 CD PRO A 75 21.890 5.382 6.110 1.00 0.92 C ATOM 0 HA PRO A 75 18.703 5.405 6.145 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.413 7.626 5.045 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.479 7.613 6.528 1.00 0.92 H new ATOM 0 HG2 PRO A 75 22.150 7.457 6.602 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.174 6.567 7.753 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.596 5.549 5.297 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.401 4.774 6.856 1.00 0.92 H new ATOM 1208 N CYS A 76 17.701 5.630 3.974 1.00 0.57 N ATOM 1209 CA CYS A 76 17.015 5.649 2.682 1.00 0.52 C ATOM 1210 C CYS A 76 17.391 4.443 1.810 1.00 0.51 C ATOM 1211 O CYS A 76 17.087 4.414 0.616 1.00 0.55 O ATOM 1212 CB CYS A 76 17.296 6.969 1.946 1.00 0.58 C ATOM 1213 SG CYS A 76 16.905 8.465 2.925 1.00 1.55 S ATOM 0 H CYS A 76 17.073 5.522 4.771 1.00 0.57 H new ATOM 0 HA CYS A 76 15.945 5.577 2.877 1.00 0.52 H new ATOM 0 HB2 CYS A 76 18.348 6.998 1.662 1.00 0.58 H new ATOM 0 HB3 CYS A 76 16.716 6.989 1.023 1.00 0.58 H new ATOM 1218 N LYS A 77 18.031 3.440 2.406 1.00 0.50 N ATOM 1219 CA LYS A 77 18.349 2.212 1.700 1.00 0.50 C ATOM 1220 C LYS A 77 17.495 1.072 2.246 1.00 0.47 C ATOM 1221 O LYS A 77 17.436 0.858 3.460 1.00 0.51 O ATOM 1222 CB LYS A 77 19.830 1.891 1.851 1.00 0.60 C ATOM 1223 CG LYS A 77 20.478 1.435 0.562 1.00 1.30 C ATOM 1224 CD LYS A 77 20.327 2.486 -0.527 1.00 1.57 C ATOM 1225 CE LYS A 77 21.072 2.109 -1.798 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.607 0.816 -2.364 1.00 2.60 N ATOM 0 H LYS A 77 18.338 3.458 3.378 1.00 0.50 H new ATOM 0 HA LYS A 77 18.131 2.338 0.639 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.351 2.775 2.218 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.951 1.114 2.605 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.535 1.234 0.734 1.00 1.30 H new ATOM 0 HG3 LYS A 77 20.025 0.499 0.234 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.270 2.621 -0.755 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.699 3.443 -0.160 1.00 1.57 H new ATOM 0 HE2 LYS A 77 20.940 2.896 -2.540 1.00 2.24 H new ATOM 0 HE3 LYS A 77 22.139 2.047 -1.586 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 20.815 0.788 -3.383 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 21.098 0.032 -1.888 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 19.582 0.722 -2.218 1.00 2.60 H new ATOM 1240 N TYR A 78 16.841 0.336 1.360 1.00 0.45 N ATOM 1241 CA TYR A 78 15.822 -0.614 1.778 1.00 0.47 C ATOM 1242 C TYR A 78 16.134 -2.039 1.361 1.00 0.52 C ATOM 1243 O TYR A 78 17.133 -2.320 0.696 1.00 0.59 O ATOM 1244 CB TYR A 78 14.475 -0.224 1.179 1.00 0.48 C ATOM 1245 CG TYR A 78 13.979 1.120 1.627 1.00 0.65 C ATOM 1246 CD1 TYR A 78 14.370 2.279 0.974 1.00 0.74 C ATOM 1247 CD2 TYR A 78 13.122 1.230 2.708 1.00 0.91 C ATOM 1248 CE1 TYR A 78 13.915 3.508 1.388 1.00 0.99 C ATOM 1249 CE2 TYR A 78 12.660 2.454 3.126 1.00 1.15 C ATOM 1250 CZ TYR A 78 13.061 3.587 2.464 1.00 1.17 C ATOM 1251 OH TYR A 78 12.597 4.800 2.871 1.00 1.44 O ATOM 0 H TYR A 78 16.997 0.378 0.353 1.00 0.45 H new ATOM 0 HA TYR A 78 15.796 -0.579 2.867 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.557 -0.227 0.092 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.737 -0.981 1.445 1.00 0.48 H new ATOM 0 HD1 TYR A 78 15.040 2.215 0.130 1.00 0.74 H new ATOM 0 HD2 TYR A 78 12.811 0.338 3.232 1.00 0.91 H new ATOM 0 HE1 TYR A 78 14.225 4.405 0.873 1.00 0.99 H new ATOM 0 HE2 TYR A 78 11.987 2.524 3.968 1.00 1.15 H new ATOM 0 HH TYR A 78 12.017 4.683 3.652 1.00 1.44 H new ATOM 1261 N LYS A 79 15.262 -2.928 1.795 1.00 0.53 N ATOM 1262 CA LYS A 79 15.210 -4.287 1.312 1.00 0.58 C ATOM 1263 C LYS A 79 13.771 -4.624 0.985 1.00 0.46 C ATOM 1264 O LYS A 79 12.853 -4.193 1.694 1.00 0.47 O ATOM 1265 CB LYS A 79 15.768 -5.258 2.352 1.00 0.78 C ATOM 1266 CG LYS A 79 17.280 -5.366 2.311 1.00 1.39 C ATOM 1267 CD LYS A 79 17.749 -5.982 1.003 1.00 2.02 C ATOM 1268 CE LYS A 79 19.215 -5.689 0.749 1.00 2.63 C ATOM 1269 NZ LYS A 79 19.442 -4.243 0.490 1.00 3.52 N ATOM 0 H LYS A 79 14.560 -2.719 2.505 1.00 0.53 H new ATOM 0 HA LYS A 79 15.825 -4.381 0.417 1.00 0.58 H new ATOM 0 HB2 LYS A 79 15.459 -4.934 3.346 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.334 -6.245 2.189 1.00 0.78 H new ATOM 0 HG2 LYS A 79 17.722 -4.377 2.430 1.00 1.39 H new ATOM 0 HG3 LYS A 79 17.627 -5.973 3.147 1.00 1.39 H new ATOM 0 HD2 LYS A 79 17.591 -7.060 1.029 1.00 2.02 H new ATOM 0 HD3 LYS A 79 17.150 -5.592 0.180 1.00 2.02 H new ATOM 0 HE2 LYS A 79 19.805 -6.003 1.610 1.00 2.63 H new ATOM 0 HE3 LYS A 79 19.562 -6.272 -0.104 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 19.857 -4.121 -0.456 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 18.536 -3.735 0.539 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 20.093 -3.860 1.205 1.00 3.52 H new ATOM 1283 N LEU A 80 13.573 -5.351 -0.101 1.00 0.45 N ATOM 1284 CA LEU A 80 12.238 -5.718 -0.525 1.00 0.41 C ATOM 1285 C LEU A 80 11.814 -7.006 0.163 1.00 0.42 C ATOM 1286 O LEU A 80 12.610 -7.930 0.333 1.00 0.49 O ATOM 1287 CB LEU A 80 12.181 -5.853 -2.053 1.00 0.50 C ATOM 1288 CG LEU A 80 10.782 -5.966 -2.670 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.277 -7.397 -2.650 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.805 -5.056 -1.951 1.00 0.74 C ATOM 0 H LEU A 80 14.320 -5.697 -0.703 1.00 0.45 H new ATOM 0 HA LEU A 80 11.540 -4.932 -0.237 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.681 -4.990 -2.492 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.755 -6.734 -2.341 1.00 0.50 H new ATOM 0 HG LEU A 80 10.858 -5.651 -3.711 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.283 -7.438 -3.095 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.956 -8.031 -3.220 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.228 -7.751 -1.620 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.818 -5.151 -2.404 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.750 -5.339 -0.900 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.143 -4.023 -2.032 1.00 0.74 H new ATOM 1302 N LYS A 81 10.557 -7.048 0.551 1.00 0.40 N ATOM 1303 CA LYS A 81 10.002 -8.171 1.282 1.00 0.44 C ATOM 1304 C LYS A 81 8.710 -8.625 0.629 1.00 0.38 C ATOM 1305 O LYS A 81 7.697 -7.931 0.685 1.00 0.36 O ATOM 1306 CB LYS A 81 9.758 -7.771 2.739 1.00 0.49 C ATOM 1307 CG LYS A 81 8.904 -8.748 3.529 1.00 0.60 C ATOM 1308 CD LYS A 81 8.579 -8.198 4.909 1.00 0.71 C ATOM 1309 CE LYS A 81 7.470 -8.986 5.584 1.00 1.18 C ATOM 1310 NZ LYS A 81 7.857 -10.397 5.832 1.00 1.87 N ATOM 0 H LYS A 81 9.887 -6.301 0.368 1.00 0.40 H new ATOM 0 HA LYS A 81 10.709 -9.000 1.262 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.721 -7.664 3.239 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.279 -6.792 2.758 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.980 -8.949 2.987 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.429 -9.698 3.627 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.474 -8.225 5.531 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.282 -7.153 4.823 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.212 -8.510 6.530 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.577 -8.960 4.960 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 7.077 -10.892 6.309 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 8.062 -10.865 4.926 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.704 -10.424 6.435 1.00 1.87 H new ATOM 1324 N LYS A 82 8.753 -9.774 -0.012 1.00 0.40 N ATOM 1325 CA LYS A 82 7.584 -10.315 -0.671 1.00 0.37 C ATOM 1326 C LYS A 82 6.728 -11.075 0.330 1.00 0.36 C ATOM 1327 O LYS A 82 7.187 -12.029 0.956 1.00 0.46 O ATOM 1328 CB LYS A 82 8.013 -11.214 -1.827 1.00 0.47 C ATOM 1329 CG LYS A 82 8.805 -10.462 -2.883 1.00 0.54 C ATOM 1330 CD LYS A 82 9.388 -11.397 -3.926 1.00 0.76 C ATOM 1331 CE LYS A 82 10.165 -10.629 -4.986 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.818 -11.531 -5.974 1.00 1.10 N ATOM 0 H LYS A 82 9.589 -10.353 -0.091 1.00 0.40 H new ATOM 0 HA LYS A 82 6.984 -9.500 -1.077 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.617 -12.035 -1.440 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.129 -11.657 -2.286 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.158 -9.732 -3.371 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.610 -9.905 -2.404 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.045 -12.120 -3.443 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.586 -11.963 -4.399 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.490 -9.951 -5.508 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.924 -10.014 -4.502 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.334 -10.962 -6.675 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.483 -12.162 -5.482 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.093 -12.100 -6.456 1.00 1.10 H new ATOM 1346 N SER A 83 5.492 -10.636 0.488 1.00 0.31 N ATOM 1347 CA SER A 83 4.590 -11.235 1.452 1.00 0.36 C ATOM 1348 C SER A 83 3.194 -11.384 0.854 1.00 0.31 C ATOM 1349 O SER A 83 2.908 -10.853 -0.221 1.00 0.50 O ATOM 1350 CB SER A 83 4.540 -10.358 2.709 1.00 0.46 C ATOM 1351 OG SER A 83 4.240 -9.012 2.375 1.00 1.12 O ATOM 0 H SER A 83 5.090 -9.863 -0.042 1.00 0.31 H new ATOM 0 HA SER A 83 4.954 -12.228 1.717 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.787 -10.743 3.396 1.00 0.46 H new ATOM 0 HB3 SER A 83 5.498 -10.404 3.228 1.00 0.46 H new ATOM 0 HG SER A 83 4.675 -8.411 3.016 1.00 1.12 H new ATOM 1357 N THR A 84 2.346 -12.147 1.518 1.00 0.25 N ATOM 1358 CA THR A 84 0.955 -12.263 1.119 1.00 0.23 C ATOM 1359 C THR A 84 0.074 -12.250 2.362 1.00 0.22 C ATOM 1360 O THR A 84 0.127 -13.174 3.178 1.00 0.29 O ATOM 1361 CB THR A 84 0.706 -13.553 0.310 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.770 -13.736 -0.637 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.619 -13.483 -0.439 1.00 0.27 C ATOM 0 H THR A 84 2.597 -12.698 2.339 1.00 0.25 H new ATOM 0 HA THR A 84 0.708 -11.417 0.478 1.00 0.23 H new ATOM 0 HB THR A 84 0.670 -14.391 1.006 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.614 -14.556 -1.150 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.769 -14.405 -1.001 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.434 -13.356 0.274 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.604 -12.638 -1.127 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.716 -11.201 2.516 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.544 -11.039 3.703 1.00 0.18 C ATOM 1373 C ASN A 85 -2.751 -10.180 3.371 1.00 0.17 C ATOM 1374 O ASN A 85 -2.743 -9.449 2.379 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.745 -10.380 4.830 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.226 -10.780 6.214 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.385 -11.143 6.409 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.335 -10.699 7.192 1.00 0.37 N ATOM 0 H ASN A 85 -0.803 -10.447 1.834 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.873 -12.024 4.034 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.307 -10.647 4.726 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.810 -9.297 4.728 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.601 -10.942 8.146 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.617 -10.394 6.990 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.796 -10.292 4.172 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.922 -9.393 4.064 1.00 0.19 C ATOM 1387 C LYS A 86 -4.502 -8.037 4.609 1.00 0.18 C ATOM 1388 O LYS A 86 -3.423 -7.911 5.182 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.100 -9.928 4.872 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.406 -11.398 4.635 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.604 -11.826 5.453 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.905 -13.305 5.322 1.00 0.55 C ATOM 1393 NZ LYS A 86 -6.777 -14.154 5.785 1.00 1.17 N ATOM 0 H LYS A 86 -3.884 -10.998 4.903 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.229 -9.305 3.022 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.896 -9.778 5.932 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.987 -9.341 4.632 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.601 -11.569 3.576 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.540 -12.004 4.902 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.426 -11.587 6.502 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.476 -11.253 5.139 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -8.798 -13.544 5.900 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.128 -13.537 4.281 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -7.149 -15.044 6.174 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -6.148 -14.362 4.984 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -6.244 -13.651 6.522 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.332 -7.027 4.447 1.00 0.17 N ATOM 1408 CA PHE A 87 -5.026 -5.732 5.022 1.00 0.18 C ATOM 1409 C PHE A 87 -6.286 -4.933 5.290 1.00 0.18 C ATOM 1410 O PHE A 87 -7.304 -5.099 4.619 1.00 0.19 O ATOM 1411 CB PHE A 87 -4.045 -4.941 4.144 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.443 -4.797 2.698 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.462 -3.936 2.320 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.780 -5.511 1.714 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.815 -3.796 0.990 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.125 -5.370 0.385 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.144 -4.514 0.022 1.00 0.20 C ATOM 0 H PHE A 87 -6.210 -7.074 3.931 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.538 -5.912 5.980 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.924 -3.945 4.571 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.071 -5.428 4.188 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.987 -3.367 3.074 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -2.983 -6.186 1.990 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.614 -3.126 0.710 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.596 -5.931 -0.372 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.416 -4.406 -1.018 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.214 -4.098 6.308 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.316 -3.247 6.687 1.00 0.20 C ATOM 1429 C CYS A 88 -7.110 -1.864 6.090 1.00 0.20 C ATOM 1430 O CYS A 88 -6.050 -1.257 6.265 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.393 -3.150 8.208 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.841 -2.240 8.824 1.00 0.49 S ATOM 0 H CYS A 88 -5.386 -3.993 6.895 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.249 -3.668 6.312 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.406 -4.157 8.625 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.489 -2.665 8.576 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.104 -1.379 5.370 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.033 -0.053 4.781 1.00 0.22 C ATOM 1439 C VAL A 89 -9.165 0.817 5.298 1.00 0.24 C ATOM 1440 O VAL A 89 -10.274 0.333 5.531 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.075 -0.097 3.234 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.777 -0.658 2.683 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.265 -0.913 2.740 1.00 0.20 C ATOM 0 H VAL A 89 -8.970 -1.882 5.178 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.076 0.376 5.076 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.194 0.924 2.870 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.824 -0.682 1.594 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.946 -0.027 2.997 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.628 -1.669 3.062 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.269 -0.927 1.650 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.188 -1.933 3.116 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.190 -0.463 3.101 1.00 0.20 H new ATOM 1453 N THR A 90 -8.880 2.091 5.511 1.00 0.26 N ATOM 1454 CA THR A 90 -9.907 3.021 5.927 1.00 0.28 C ATOM 1455 C THR A 90 -10.725 3.441 4.712 1.00 0.25 C ATOM 1456 O THR A 90 -10.244 4.194 3.857 1.00 0.25 O ATOM 1457 CB THR A 90 -9.305 4.276 6.595 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.403 3.895 7.643 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.401 5.171 7.164 1.00 0.40 C ATOM 0 H THR A 90 -7.952 2.499 5.403 1.00 0.26 H new ATOM 0 HA THR A 90 -10.540 2.520 6.660 1.00 0.28 H new ATOM 0 HB THR A 90 -8.761 4.834 5.833 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.902 3.443 8.356 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.950 6.048 7.629 1.00 0.40 H new ATOM 0 HG22 THR A 90 -11.066 5.488 6.360 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.972 4.618 7.910 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.943 2.941 4.628 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.809 3.238 3.506 1.00 0.22 C ATOM 1469 C CYS A 91 -13.663 4.457 3.784 1.00 0.25 C ATOM 1470 O CYS A 91 -14.411 4.497 4.759 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.687 2.036 3.203 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.745 0.578 2.678 1.00 0.20 S ATOM 0 H CYS A 91 -12.356 2.324 5.328 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.187 3.457 2.638 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.268 1.785 4.091 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.399 2.302 2.421 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.535 5.452 2.928 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.310 6.667 3.053 1.00 0.29 C ATOM 1479 C GLU A 92 -14.665 7.171 1.662 1.00 0.27 C ATOM 1480 O GLU A 92 -13.797 7.257 0.793 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.505 7.713 3.818 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.352 8.736 4.544 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.522 9.851 5.136 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.010 9.684 6.262 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.388 10.904 4.485 1.00 0.76 O ATOM 0 H GLU A 92 -12.896 5.440 2.133 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.229 6.471 3.606 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.867 7.206 4.542 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.847 8.231 3.120 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.082 9.157 3.852 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.913 8.243 5.338 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.944 7.466 1.447 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.440 7.917 0.141 1.00 0.31 C ATOM 1494 C ASN A 93 -16.215 6.856 -0.937 1.00 0.28 C ATOM 1495 O ASN A 93 -16.037 7.183 -2.111 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.768 9.228 -0.286 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.280 10.436 0.470 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.273 11.049 0.076 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.597 10.802 1.543 1.00 0.65 N ATOM 0 H ASN A 93 -16.665 7.401 2.165 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.511 8.087 0.250 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.692 9.143 -0.135 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.929 9.380 -1.353 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.888 11.620 2.078 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.780 10.266 1.835 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.241 5.588 -0.524 1.00 0.26 N ATOM 1507 CA GLN A 94 -16.077 4.447 -1.432 1.00 0.25 C ATOM 1508 C GLN A 94 -14.663 4.352 -1.994 1.00 0.22 C ATOM 1509 O GLN A 94 -14.449 3.781 -3.065 1.00 0.26 O ATOM 1510 CB GLN A 94 -17.095 4.491 -2.573 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.496 4.107 -2.139 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.472 4.014 -3.296 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.674 4.212 -3.128 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.961 3.728 -4.480 1.00 0.48 N ATOM 0 H GLN A 94 -16.377 5.321 0.451 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.258 3.552 -0.836 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -17.115 5.496 -2.995 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.770 3.818 -3.367 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.460 3.147 -1.624 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.862 4.841 -1.421 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.958 3.570 -4.578 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.569 3.665 -5.296 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.701 4.888 -1.266 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.307 4.784 -1.662 1.00 0.19 C ATOM 1525 C ALA A 95 -11.415 4.600 -0.444 1.00 0.17 C ATOM 1526 O ALA A 95 -11.636 5.227 0.592 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.880 6.016 -2.447 1.00 0.21 C ATOM 0 H ALA A 95 -13.858 5.400 -0.398 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.201 3.909 -2.304 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.833 5.919 -2.735 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.495 6.108 -3.342 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -12.005 6.904 -1.827 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.436 3.691 -0.535 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.403 3.546 0.490 1.00 0.17 C ATOM 1535 C PRO A 96 -8.539 4.796 0.576 1.00 0.19 C ATOM 1536 O PRO A 96 -7.710 5.049 -0.295 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.559 2.355 0.018 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.368 1.675 -1.034 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.279 2.714 -1.622 1.00 0.17 C ATOM 0 HA PRO A 96 -9.831 3.396 1.481 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.601 2.688 -0.380 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.343 1.677 0.844 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.723 1.248 -1.802 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.943 0.853 -0.608 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.845 3.170 -2.512 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.237 2.286 -1.918 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.756 5.593 1.608 1.00 0.20 N ATOM 1548 CA VAL A 97 -8.026 6.844 1.758 1.00 0.24 C ATOM 1549 C VAL A 97 -6.909 6.720 2.784 1.00 0.27 C ATOM 1550 O VAL A 97 -5.996 7.534 2.817 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.962 8.004 2.156 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.973 8.283 1.056 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.669 7.696 3.464 1.00 0.35 C ATOM 0 H VAL A 97 -9.427 5.400 2.351 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.587 7.065 0.785 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.354 8.898 2.295 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.622 9.105 1.358 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.448 8.554 0.140 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.574 7.391 0.880 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.324 8.526 3.728 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.261 6.788 3.353 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.930 7.553 4.252 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.986 5.702 3.620 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.974 5.483 4.642 1.00 0.35 C ATOM 1565 C HIS A 98 -5.654 4.006 4.761 1.00 0.31 C ATOM 1566 O HIS A 98 -6.519 3.156 4.555 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.430 6.023 6.000 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.262 7.504 6.164 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.138 8.070 6.722 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -7.085 8.535 5.857 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.278 9.381 6.757 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.448 9.689 6.237 1.00 0.82 N ATOM 0 H HIS A 98 -7.738 5.013 3.614 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.077 6.023 4.340 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.480 5.770 6.144 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.870 5.516 6.786 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -8.060 8.462 5.399 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -4.555 10.083 7.146 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.820 10.633 6.134 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.409 3.704 5.085 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.985 2.328 5.254 1.00 0.29 C ATOM 1583 C PHE A 99 -3.803 2.026 6.735 1.00 0.29 C ATOM 1584 O PHE A 99 -2.971 2.641 7.404 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.685 2.069 4.488 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.303 0.617 4.423 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.989 -0.249 3.591 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.262 0.121 5.192 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.650 -1.585 3.525 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.916 -1.216 5.131 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.610 -2.071 4.296 1.00 0.31 C ATOM 0 H PHE A 99 -3.674 4.395 5.236 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.753 1.668 4.850 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.788 2.455 3.474 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.877 2.628 4.961 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.801 0.125 2.985 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.716 0.785 5.845 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.196 -2.250 2.872 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.104 -1.592 5.735 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.341 -3.116 4.246 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.587 1.084 7.236 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.547 0.723 8.645 1.00 0.28 C ATOM 1603 C VAL A 100 -3.365 -0.202 8.923 1.00 0.28 C ATOM 1604 O VAL A 100 -2.411 0.179 9.599 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.862 0.038 9.074 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.812 -0.388 10.533 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -7.051 0.957 8.820 1.00 0.29 C ATOM 0 H VAL A 100 -5.262 0.553 6.685 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.427 1.638 9.225 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.985 -0.861 8.470 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.753 -0.867 10.805 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.991 -1.091 10.679 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.656 0.488 11.163 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.969 0.457 9.128 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.929 1.877 9.392 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.107 1.195 7.758 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.434 -1.411 8.391 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.346 -2.354 8.538 1.00 0.29 C ATOM 1619 C GLY A 101 -2.688 -3.678 7.912 1.00 0.25 C ATOM 1620 O GLY A 101 -3.816 -3.875 7.469 1.00 0.28 O ATOM 0 H GLY A 101 -4.230 -1.758 7.856 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.446 -1.951 8.074 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.123 -2.495 9.596 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.733 -4.587 7.870 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.962 -5.873 7.242 1.00 0.22 C ATOM 1626 C VAL A 102 -2.393 -6.903 8.277 1.00 0.24 C ATOM 1627 O VAL A 102 -2.115 -6.760 9.470 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.725 -6.380 6.466 1.00 0.24 C ATOM 1629 CG1 VAL A 102 -0.025 -5.232 5.757 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.239 -7.132 7.368 1.00 0.25 C ATOM 0 H VAL A 102 -0.799 -4.461 8.260 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.764 -5.734 6.517 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.078 -7.084 5.713 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.842 -5.612 5.218 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.714 -4.765 5.053 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.299 -4.494 6.491 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.094 -7.471 6.784 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.582 -6.472 8.164 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.267 -7.993 7.804 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.092 -7.921 7.815 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.564 -8.968 8.693 1.00 0.29 C ATOM 1642 C GLY A 103 -5.011 -8.768 9.088 1.00 0.28 C ATOM 1643 O GLY A 103 -5.891 -9.516 8.662 1.00 0.34 O ATOM 0 H GLY A 103 -3.345 -8.044 6.834 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.453 -9.933 8.198 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.944 -8.996 9.589 1.00 0.29 H new ATOM 1647 N SER A 104 -5.260 -7.754 9.899 1.00 0.33 N ATOM 1648 CA SER A 104 -6.600 -7.443 10.364 1.00 0.32 C ATOM 1649 C SER A 104 -6.692 -5.968 10.731 1.00 0.39 C ATOM 1650 O SER A 104 -5.709 -5.232 10.620 1.00 0.59 O ATOM 1651 CB SER A 104 -6.944 -8.301 11.580 1.00 0.45 C ATOM 1652 OG SER A 104 -6.945 -9.686 11.264 1.00 1.38 O ATOM 0 H SER A 104 -4.540 -7.124 10.253 1.00 0.33 H new ATOM 0 HA SER A 104 -7.310 -7.658 9.565 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.224 -8.110 12.375 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.924 -8.014 11.962 1.00 0.45 H new ATOM 0 HG SER A 104 -7.167 -10.204 12.065 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.868 -5.545 11.157 1.00 0.39 N ATOM 1659 CA CYS A 105 -8.060 -4.189 11.637 1.00 0.53 C ATOM 1660 C CYS A 105 -7.762 -4.140 13.129 1.00 0.48 C ATOM 1661 O CYS A 105 -8.695 -4.352 13.934 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.499 -3.728 11.381 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.993 -3.700 9.627 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.586 -3.924 13.496 1.00 1.20 O ATOM 0 H CYS A 105 -8.708 -6.124 11.180 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.383 -3.523 11.103 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -10.178 -4.385 11.925 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.624 -2.727 11.795 1.00 0.82 H new