USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 112 THR OG1 : rot -90:sc= 0.593 USER MOD Set 1.2: A 115 ASN : amide:sc= 0.134 K(o=0.73,f=0.074) USER MOD Set 2.1: A 73 THR OG1 : rot -160:sc= -0.738 USER MOD Set 2.2: A 76 GLN : amide:sc= -1.27 K(o=-2,f=-1.3) USER MOD Set 3.1: A 40 SER OG : rot 6:sc= 1.29 USER MOD Set 3.2: A 43 THR OG1 : rot -100:sc= 1.06 USER MOD Set 4.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00851 USER MOD Single : A 12 GLN : amide:sc= -1.36 K(o=-1.4,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 74:sc= 0.911 USER MOD Single : A 19 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00924 USER MOD Single : A 22 THR OG1 : rot -25:sc= 0.369 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 29 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot 39:sc= 0.212 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.447 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 65:sc= -0.547 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00367 USER MOD Single : A 60 TYR OH : rot 166:sc= 1.27 USER MOD Single : A 61 SER OG : rot 110:sc= 0.931 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.28) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -63:sc= 1.09 USER MOD Single : A 75 GLN : amide:sc= -0.0842 K(o=-0.084,f=-2.2!) USER MOD Single : A 78 HIS : no HD1:sc= -0.853 K(o=-0.85,f=-0.2) USER MOD Single : A 80 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.93) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.029) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.31 K(o=-1.3,f=-3!) USER MOD Single : A 101 ASN : amide:sc=-0.00705 X(o=-0.007,f=-0.14) USER MOD Single : A 102 SER OG : rot -24:sc= 0.316! USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= -2.08 (180deg=-2.17) USER MOD Single : A 110 GLN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 111 SER OG : rot -90:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 86:sc= 0.844 USER MOD Single : A 124 MET CE :methyl -135:sc= -0.291 (180deg=-1.69!) USER MOD Single : A 127 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.161) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -18.098 6.211 1.423 1.00 0.39 N ATOM 103 CA ASP A 8 -16.924 6.474 2.301 1.00 0.41 C ATOM 104 C ASP A 8 -16.007 7.501 1.633 1.00 0.45 C ATOM 105 O ASP A 8 -15.759 7.445 0.445 1.00 0.60 O ATOM 106 CB ASP A 8 -16.152 5.172 2.525 1.00 0.37 C ATOM 107 CG ASP A 8 -15.989 4.927 4.027 1.00 0.87 C ATOM 108 OD1 ASP A 8 -16.974 5.044 4.736 1.00 2.00 O ATOM 109 OD2 ASP A 8 -14.880 4.628 4.441 1.00 0.46 O ATOM 0 HA ASP A 8 -17.268 6.862 3.260 1.00 0.41 H new ATOM 0 HB2 ASP A 8 -16.683 4.338 2.065 1.00 0.37 H new ATOM 0 HB3 ASP A 8 -15.174 5.230 2.047 1.00 0.37 H new ATOM 114 N ILE A 9 -15.498 8.436 2.388 1.00 0.33 N ATOM 115 CA ILE A 9 -14.597 9.464 1.795 1.00 0.37 C ATOM 116 C ILE A 9 -13.149 8.979 1.878 1.00 0.36 C ATOM 117 O ILE A 9 -12.280 9.464 1.181 1.00 0.41 O ATOM 118 CB ILE A 9 -14.741 10.775 2.569 1.00 0.38 C ATOM 119 CG1 ILE A 9 -13.660 11.758 2.110 1.00 0.36 C ATOM 120 CG2 ILE A 9 -14.581 10.506 4.066 1.00 0.57 C ATOM 121 CD1 ILE A 9 -14.156 13.191 2.309 1.00 0.33 C ATOM 0 H ILE A 9 -15.667 8.532 3.389 1.00 0.33 H new ATOM 0 HA ILE A 9 -14.867 9.627 0.752 1.00 0.37 H new ATOM 0 HB ILE A 9 -15.726 11.201 2.381 1.00 0.38 H new ATOM 0 HG12 ILE A 9 -12.743 11.597 2.677 1.00 0.36 H new ATOM 0 HG13 ILE A 9 -13.420 11.587 1.061 1.00 0.36 H new ATOM 0 HG21 ILE A 9 -14.684 11.441 4.617 1.00 0.57 H new ATOM 0 HG22 ILE A 9 -15.349 9.805 4.394 1.00 0.57 H new ATOM 0 HG23 ILE A 9 -13.596 10.080 4.256 1.00 0.57 H new ATOM 0 HD11 ILE A 9 -13.387 13.891 1.982 1.00 0.33 H new ATOM 0 HD12 ILE A 9 -15.061 13.347 1.723 1.00 0.33 H new ATOM 0 HD13 ILE A 9 -14.374 13.357 3.364 1.00 0.33 H new ATOM 133 N THR A 10 -12.881 8.023 2.727 1.00 0.31 N ATOM 134 CA THR A 10 -11.489 7.508 2.853 1.00 0.30 C ATOM 135 C THR A 10 -11.076 6.827 1.547 1.00 0.32 C ATOM 136 O THR A 10 -10.125 7.223 0.903 1.00 0.51 O ATOM 137 CB THR A 10 -11.422 6.496 3.999 1.00 0.27 C ATOM 138 OG1 THR A 10 -12.214 6.959 5.084 1.00 0.26 O ATOM 139 CG2 THR A 10 -9.972 6.334 4.456 1.00 0.28 C ATOM 0 H THR A 10 -13.566 7.578 3.338 1.00 0.31 H new ATOM 0 HA THR A 10 -10.812 8.337 3.060 1.00 0.30 H new ATOM 0 HB THR A 10 -11.801 5.533 3.656 1.00 0.27 H new ATOM 0 HG1 THR A 10 -12.174 6.311 5.818 1.00 0.26 H new ATOM 0 HG21 THR A 10 -9.926 5.613 5.272 1.00 0.28 H new ATOM 0 HG22 THR A 10 -9.366 5.978 3.623 1.00 0.28 H new ATOM 0 HG23 THR A 10 -9.589 7.295 4.799 1.00 0.28 H new ATOM 147 N LEU A 11 -11.784 5.805 1.149 1.00 0.22 N ATOM 148 CA LEU A 11 -11.431 5.102 -0.116 1.00 0.23 C ATOM 149 C LEU A 11 -11.210 6.134 -1.224 1.00 0.26 C ATOM 150 O LEU A 11 -10.593 5.854 -2.233 1.00 0.28 O ATOM 151 CB LEU A 11 -12.573 4.160 -0.518 1.00 0.25 C ATOM 152 CG LEU A 11 -12.856 3.161 0.611 1.00 0.25 C ATOM 153 CD1 LEU A 11 -14.264 2.588 0.439 1.00 0.47 C ATOM 154 CD2 LEU A 11 -11.840 2.011 0.569 1.00 0.31 C ATOM 0 H LEU A 11 -12.591 5.427 1.645 1.00 0.22 H new ATOM 0 HA LEU A 11 -10.520 4.523 0.033 1.00 0.23 H new ATOM 0 HB2 LEU A 11 -13.471 4.738 -0.736 1.00 0.25 H new ATOM 0 HB3 LEU A 11 -12.309 3.625 -1.430 1.00 0.25 H new ATOM 0 HG LEU A 11 -12.775 3.677 1.568 1.00 0.25 H new ATOM 0 HD11 LEU A 11 -14.468 1.878 1.240 1.00 0.47 H new ATOM 0 HD12 LEU A 11 -14.993 3.397 0.477 1.00 0.47 H new ATOM 0 HD13 LEU A 11 -14.335 2.080 -0.523 1.00 0.47 H new ATOM 0 HD21 LEU A 11 -12.052 1.309 1.375 1.00 0.31 H new ATOM 0 HD22 LEU A 11 -11.913 1.496 -0.389 1.00 0.31 H new ATOM 0 HD23 LEU A 11 -10.833 2.410 0.691 1.00 0.31 H new ATOM 166 N GLN A 12 -11.710 7.326 -1.044 1.00 0.28 N ATOM 167 CA GLN A 12 -11.529 8.375 -2.088 1.00 0.33 C ATOM 168 C GLN A 12 -10.120 8.963 -1.983 1.00 0.31 C ATOM 169 O GLN A 12 -9.280 8.743 -2.834 1.00 0.33 O ATOM 170 CB GLN A 12 -12.562 9.484 -1.879 1.00 0.35 C ATOM 171 CG GLN A 12 -12.738 10.269 -3.181 1.00 0.51 C ATOM 172 CD GLN A 12 -13.789 11.362 -2.981 1.00 0.83 C ATOM 173 OE1 GLN A 12 -13.811 12.340 -3.701 1.00 0.92 O ATOM 174 NE2 GLN A 12 -14.669 11.237 -2.025 1.00 1.87 N ATOM 0 H GLN A 12 -12.235 7.619 -0.220 1.00 0.28 H new ATOM 0 HA GLN A 12 -11.664 7.933 -3.075 1.00 0.33 H new ATOM 0 HB2 GLN A 12 -13.515 9.055 -1.569 1.00 0.35 H new ATOM 0 HB3 GLN A 12 -12.238 10.151 -1.080 1.00 0.35 H new ATOM 0 HG2 GLN A 12 -11.789 10.713 -3.481 1.00 0.51 H new ATOM 0 HG3 GLN A 12 -13.044 9.598 -3.984 1.00 0.51 H new ATOM 0 HE21 GLN A 12 -14.651 10.416 -1.420 1.00 1.87 H new ATOM 0 HE22 GLN A 12 -15.374 11.960 -1.883 1.00 1.87 H new ATOM 183 N GLU A 13 -9.854 9.712 -0.947 1.00 0.29 N ATOM 184 CA GLU A 13 -8.500 10.313 -0.793 1.00 0.31 C ATOM 185 C GLU A 13 -7.439 9.215 -0.890 1.00 0.29 C ATOM 186 O GLU A 13 -6.299 9.466 -1.230 1.00 0.30 O ATOM 187 CB GLU A 13 -8.399 11.005 0.570 1.00 0.34 C ATOM 188 CG GLU A 13 -8.207 9.956 1.667 1.00 0.33 C ATOM 189 CD GLU A 13 -6.712 9.684 1.856 1.00 1.09 C ATOM 190 OE1 GLU A 13 -5.987 10.630 2.117 1.00 1.81 O ATOM 191 OE2 GLU A 13 -6.320 8.536 1.738 1.00 1.89 O ATOM 0 H GLU A 13 -10.515 9.933 -0.202 1.00 0.29 H new ATOM 0 HA GLU A 13 -8.336 11.045 -1.584 1.00 0.31 H new ATOM 0 HB2 GLU A 13 -7.563 11.705 0.572 1.00 0.34 H new ATOM 0 HB3 GLU A 13 -9.302 11.585 0.762 1.00 0.34 H new ATOM 0 HG2 GLU A 13 -8.645 10.307 2.601 1.00 0.33 H new ATOM 0 HG3 GLU A 13 -8.724 9.035 1.399 1.00 0.33 H new ATOM 198 N ILE A 14 -7.803 7.997 -0.596 1.00 0.28 N ATOM 199 CA ILE A 14 -6.815 6.884 -0.674 1.00 0.29 C ATOM 200 C ILE A 14 -6.468 6.615 -2.139 1.00 0.27 C ATOM 201 O ILE A 14 -5.316 6.636 -2.528 1.00 0.27 O ATOM 202 CB ILE A 14 -7.418 5.622 -0.054 1.00 0.31 C ATOM 203 CG1 ILE A 14 -7.423 5.757 1.471 1.00 0.43 C ATOM 204 CG2 ILE A 14 -6.579 4.406 -0.456 1.00 0.35 C ATOM 205 CD1 ILE A 14 -8.291 4.653 2.079 1.00 0.45 C ATOM 0 H ILE A 14 -8.742 7.724 -0.305 1.00 0.28 H new ATOM 0 HA ILE A 14 -5.912 7.160 -0.130 1.00 0.29 H new ATOM 0 HB ILE A 14 -8.440 5.493 -0.411 1.00 0.31 H new ATOM 0 HG12 ILE A 14 -6.406 5.688 1.856 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -7.807 6.736 1.759 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -7.008 3.506 -0.015 1.00 0.35 H new ATOM 0 HG22 ILE A 14 -6.574 4.311 -1.542 1.00 0.35 H new ATOM 0 HG23 ILE A 14 -5.557 4.534 -0.098 1.00 0.35 H new ATOM 0 HD11 ILE A 14 -8.294 4.749 3.165 1.00 0.45 H new ATOM 0 HD12 ILE A 14 -9.310 4.743 1.703 1.00 0.45 H new ATOM 0 HD13 ILE A 14 -7.887 3.679 1.802 1.00 0.45 H new ATOM 217 N ILE A 15 -7.454 6.362 -2.956 1.00 0.28 N ATOM 218 CA ILE A 15 -7.179 6.093 -4.395 1.00 0.29 C ATOM 219 C ILE A 15 -6.296 7.205 -4.963 1.00 0.26 C ATOM 220 O ILE A 15 -5.305 6.952 -5.618 1.00 0.28 O ATOM 221 CB ILE A 15 -8.499 6.046 -5.165 1.00 0.29 C ATOM 222 CG1 ILE A 15 -9.233 4.742 -4.841 1.00 0.31 C ATOM 223 CG2 ILE A 15 -8.217 6.110 -6.668 1.00 0.30 C ATOM 224 CD1 ILE A 15 -10.684 4.842 -5.314 1.00 0.29 C ATOM 0 H ILE A 15 -8.438 6.330 -2.689 1.00 0.28 H new ATOM 0 HA ILE A 15 -6.666 5.137 -4.494 1.00 0.29 H new ATOM 0 HB ILE A 15 -9.118 6.895 -4.874 1.00 0.29 H new ATOM 0 HG12 ILE A 15 -8.737 3.903 -5.329 1.00 0.31 H new ATOM 0 HG13 ILE A 15 -9.201 4.551 -3.768 1.00 0.31 H new ATOM 0 HG21 ILE A 15 -9.158 6.076 -7.217 1.00 0.30 H new ATOM 0 HG22 ILE A 15 -7.694 7.038 -6.901 1.00 0.30 H new ATOM 0 HG23 ILE A 15 -7.597 5.262 -6.958 1.00 0.30 H new ATOM 0 HD11 ILE A 15 -11.207 3.914 -5.083 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -11.176 5.671 -4.806 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -10.705 5.012 -6.390 1.00 0.29 H new ATOM 236 N LYS A 16 -6.647 8.438 -4.717 1.00 0.24 N ATOM 237 CA LYS A 16 -5.828 9.565 -5.243 1.00 0.23 C ATOM 238 C LYS A 16 -4.376 9.394 -4.795 1.00 0.24 C ATOM 239 O LYS A 16 -3.452 9.608 -5.555 1.00 0.29 O ATOM 240 CB LYS A 16 -6.376 10.889 -4.704 1.00 0.18 C ATOM 241 CG LYS A 16 -7.893 10.931 -4.898 1.00 1.28 C ATOM 242 CD LYS A 16 -8.328 12.365 -5.209 1.00 0.81 C ATOM 243 CE LYS A 16 -9.854 12.458 -5.159 1.00 1.62 C ATOM 244 NZ LYS A 16 -10.347 13.195 -6.357 1.00 2.24 N ATOM 0 H LYS A 16 -7.466 8.713 -4.174 1.00 0.24 H new ATOM 0 HA LYS A 16 -5.873 9.569 -6.332 1.00 0.23 H new ATOM 0 HB2 LYS A 16 -6.131 10.993 -3.647 1.00 0.18 H new ATOM 0 HB3 LYS A 16 -5.909 11.726 -5.223 1.00 0.18 H new ATOM 0 HG2 LYS A 16 -8.185 10.267 -5.711 1.00 1.28 H new ATOM 0 HG3 LYS A 16 -8.395 10.574 -3.999 1.00 1.28 H new ATOM 0 HD2 LYS A 16 -7.887 13.054 -4.489 1.00 0.81 H new ATOM 0 HD3 LYS A 16 -7.967 12.660 -6.194 1.00 0.81 H new ATOM 0 HE2 LYS A 16 -10.289 11.459 -5.129 1.00 1.62 H new ATOM 0 HE3 LYS A 16 -10.168 12.970 -4.249 1.00 1.62 H new ATOM 0 HZ1 LYS A 16 -11.385 13.258 -6.323 1.00 2.24 H new ATOM 0 HZ2 LYS A 16 -9.942 14.153 -6.366 1.00 2.24 H new ATOM 0 HZ3 LYS A 16 -10.059 12.689 -7.219 1.00 2.24 H new ATOM 258 N THR A 17 -4.166 9.011 -3.566 1.00 0.19 N ATOM 259 CA THR A 17 -2.772 8.827 -3.071 1.00 0.20 C ATOM 260 C THR A 17 -2.064 7.771 -3.922 1.00 0.26 C ATOM 261 O THR A 17 -0.967 7.979 -4.401 1.00 0.33 O ATOM 262 CB THR A 17 -2.805 8.368 -1.611 1.00 0.15 C ATOM 263 OG1 THR A 17 -3.481 9.341 -0.826 1.00 0.10 O ATOM 264 CG2 THR A 17 -1.375 8.196 -1.095 1.00 0.24 C ATOM 0 H THR A 17 -4.899 8.817 -2.883 1.00 0.19 H new ATOM 0 HA THR A 17 -2.233 9.772 -3.142 1.00 0.20 H new ATOM 0 HB THR A 17 -3.330 7.415 -1.541 1.00 0.15 H new ATOM 0 HG1 THR A 17 -4.443 9.295 -1.005 1.00 0.10 H new ATOM 0 HG21 THR A 17 -1.400 7.869 -0.055 1.00 0.24 H new ATOM 0 HG22 THR A 17 -0.858 7.449 -1.698 1.00 0.24 H new ATOM 0 HG23 THR A 17 -0.847 9.147 -1.164 1.00 0.24 H new ATOM 272 N LEU A 18 -2.681 6.638 -4.113 1.00 0.28 N ATOM 273 CA LEU A 18 -2.043 5.570 -4.932 1.00 0.34 C ATOM 274 C LEU A 18 -1.508 6.177 -6.231 1.00 0.33 C ATOM 275 O LEU A 18 -0.369 5.970 -6.602 1.00 0.30 O ATOM 276 CB LEU A 18 -3.080 4.492 -5.263 1.00 0.37 C ATOM 277 CG LEU A 18 -3.162 3.480 -4.113 1.00 0.49 C ATOM 278 CD1 LEU A 18 -4.367 2.564 -4.329 1.00 0.35 C ATOM 279 CD2 LEU A 18 -1.885 2.630 -4.058 1.00 1.00 C ATOM 0 H LEU A 18 -3.600 6.406 -3.737 1.00 0.28 H new ATOM 0 HA LEU A 18 -1.221 5.124 -4.372 1.00 0.34 H new ATOM 0 HB2 LEU A 18 -4.055 4.950 -5.426 1.00 0.37 H new ATOM 0 HB3 LEU A 18 -2.808 3.984 -6.188 1.00 0.37 H new ATOM 0 HG LEU A 18 -3.269 4.022 -3.173 1.00 0.49 H new ATOM 0 HD11 LEU A 18 -4.427 1.844 -3.513 1.00 0.35 H new ATOM 0 HD12 LEU A 18 -5.278 3.161 -4.354 1.00 0.35 H new ATOM 0 HD13 LEU A 18 -4.255 2.033 -5.274 1.00 0.35 H new ATOM 0 HD21 LEU A 18 -1.958 1.917 -3.237 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.766 2.091 -4.998 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -1.023 3.278 -3.900 1.00 1.00 H new ATOM 291 N ASN A 19 -2.320 6.925 -6.926 1.00 0.38 N ATOM 292 CA ASN A 19 -1.856 7.545 -8.199 1.00 0.39 C ATOM 293 C ASN A 19 -0.586 8.356 -7.938 1.00 0.40 C ATOM 294 O ASN A 19 0.367 8.296 -8.689 1.00 0.43 O ATOM 295 CB ASN A 19 -2.948 8.467 -8.746 1.00 0.37 C ATOM 296 CG ASN A 19 -3.987 7.636 -9.503 1.00 0.45 C ATOM 297 OD1 ASN A 19 -4.182 7.819 -10.688 1.00 1.36 O ATOM 298 ND2 ASN A 19 -4.668 6.725 -8.862 1.00 1.15 N ATOM 0 H ASN A 19 -3.284 7.134 -6.668 1.00 0.38 H new ATOM 0 HA ASN A 19 -1.644 6.763 -8.928 1.00 0.39 H new ATOM 0 HB2 ASN A 19 -3.425 9.008 -7.929 1.00 0.37 H new ATOM 0 HB3 ASN A 19 -2.510 9.213 -9.409 1.00 0.37 H new ATOM 0 HD21 ASN A 19 -5.364 6.167 -9.356 1.00 1.15 H new ATOM 0 HD22 ASN A 19 -4.504 6.572 -7.867 1.00 1.15 H new ATOM 305 N SER A 20 -0.565 9.117 -6.879 1.00 0.38 N ATOM 306 CA SER A 20 0.643 9.932 -6.571 1.00 0.39 C ATOM 307 C SER A 20 1.886 9.041 -6.619 1.00 0.41 C ATOM 308 O SER A 20 2.891 9.392 -7.204 1.00 0.47 O ATOM 309 CB SER A 20 0.506 10.540 -5.175 1.00 0.45 C ATOM 310 OG SER A 20 -0.793 11.099 -5.030 1.00 0.91 O ATOM 0 H SER A 20 -1.332 9.210 -6.214 1.00 0.38 H new ATOM 0 HA SER A 20 0.739 10.730 -7.307 1.00 0.39 H new ATOM 0 HB2 SER A 20 0.672 9.776 -4.415 1.00 0.45 H new ATOM 0 HB3 SER A 20 1.264 11.309 -5.025 1.00 0.45 H new ATOM 0 HG SER A 20 -0.884 11.488 -4.135 1.00 0.91 H new ATOM 316 N LEU A 21 1.826 7.888 -6.009 1.00 0.39 N ATOM 317 CA LEU A 21 3.003 6.976 -6.021 1.00 0.44 C ATOM 318 C LEU A 21 3.257 6.489 -7.449 1.00 0.54 C ATOM 319 O LEU A 21 4.366 6.535 -7.942 1.00 0.63 O ATOM 320 CB LEU A 21 2.728 5.774 -5.112 1.00 0.37 C ATOM 321 CG LEU A 21 2.442 6.258 -3.687 1.00 0.49 C ATOM 322 CD1 LEU A 21 2.112 5.057 -2.798 1.00 0.36 C ATOM 323 CD2 LEU A 21 3.672 6.979 -3.126 1.00 0.73 C ATOM 0 H LEU A 21 1.012 7.539 -5.503 1.00 0.39 H new ATOM 0 HA LEU A 21 3.881 7.511 -5.659 1.00 0.44 H new ATOM 0 HB2 LEU A 21 1.878 5.206 -5.491 1.00 0.37 H new ATOM 0 HB3 LEU A 21 3.586 5.102 -5.113 1.00 0.37 H new ATOM 0 HG LEU A 21 1.597 6.946 -3.705 1.00 0.49 H new ATOM 0 HD11 LEU A 21 1.908 5.400 -1.784 1.00 0.36 H new ATOM 0 HD12 LEU A 21 1.234 4.544 -3.191 1.00 0.36 H new ATOM 0 HD13 LEU A 21 2.958 4.370 -2.786 1.00 0.36 H new ATOM 0 HD21 LEU A 21 3.463 7.321 -2.112 1.00 0.73 H new ATOM 0 HD22 LEU A 21 4.520 6.294 -3.110 1.00 0.73 H new ATOM 0 HD23 LEU A 21 3.910 7.836 -3.756 1.00 0.73 H new ATOM 335 N THR A 22 2.238 6.020 -8.116 1.00 0.60 N ATOM 336 CA THR A 22 2.426 5.530 -9.512 1.00 0.72 C ATOM 337 C THR A 22 3.167 6.591 -10.328 1.00 0.82 C ATOM 338 O THR A 22 3.777 6.296 -11.338 1.00 1.16 O ATOM 339 CB THR A 22 1.059 5.260 -10.146 1.00 0.78 C ATOM 340 OG1 THR A 22 0.315 6.470 -10.198 1.00 0.75 O ATOM 341 CG2 THR A 22 0.301 4.228 -9.311 1.00 0.73 C ATOM 0 H THR A 22 1.286 5.955 -7.756 1.00 0.60 H new ATOM 0 HA THR A 22 3.008 4.609 -9.500 1.00 0.72 H new ATOM 0 HB THR A 22 1.197 4.874 -11.156 1.00 0.78 H new ATOM 0 HG1 THR A 22 0.631 7.079 -9.498 1.00 0.75 H new ATOM 0 HG21 THR A 22 -0.672 4.037 -9.764 1.00 0.73 H new ATOM 0 HG22 THR A 22 0.872 3.300 -9.273 1.00 0.73 H new ATOM 0 HG23 THR A 22 0.162 4.610 -8.300 1.00 0.73 H new ATOM 349 N GLU A 23 3.120 7.822 -9.901 1.00 0.61 N ATOM 350 CA GLU A 23 3.823 8.899 -10.655 1.00 0.67 C ATOM 351 C GLU A 23 5.306 8.900 -10.282 1.00 0.63 C ATOM 352 O GLU A 23 6.158 9.233 -11.082 1.00 0.70 O ATOM 353 CB GLU A 23 3.207 10.254 -10.301 1.00 0.68 C ATOM 354 CG GLU A 23 2.345 10.744 -11.467 1.00 0.81 C ATOM 355 CD GLU A 23 1.541 11.969 -11.029 1.00 0.66 C ATOM 356 OE1 GLU A 23 2.040 12.717 -10.206 1.00 0.91 O ATOM 357 OE2 GLU A 23 0.439 12.139 -11.525 1.00 1.79 O ATOM 0 H GLU A 23 2.626 8.129 -9.063 1.00 0.61 H new ATOM 0 HA GLU A 23 3.719 8.720 -11.725 1.00 0.67 H new ATOM 0 HB2 GLU A 23 2.601 10.165 -9.399 1.00 0.68 H new ATOM 0 HB3 GLU A 23 3.993 10.978 -10.087 1.00 0.68 H new ATOM 0 HG2 GLU A 23 2.977 10.996 -12.319 1.00 0.81 H new ATOM 0 HG3 GLU A 23 1.671 9.952 -11.793 1.00 0.81 H new ATOM 364 N GLN A 24 5.623 8.529 -9.072 1.00 0.54 N ATOM 365 CA GLN A 24 7.051 8.508 -8.648 1.00 0.52 C ATOM 366 C GLN A 24 7.657 7.141 -8.971 1.00 0.50 C ATOM 367 O GLN A 24 7.013 6.120 -8.829 1.00 0.46 O ATOM 368 CB GLN A 24 7.139 8.763 -7.141 1.00 0.47 C ATOM 369 CG GLN A 24 8.568 9.167 -6.774 1.00 1.75 C ATOM 370 CD GLN A 24 8.643 10.687 -6.614 1.00 1.32 C ATOM 371 OE1 GLN A 24 8.305 11.218 -5.575 1.00 0.87 O ATOM 372 NE2 GLN A 24 9.076 11.415 -7.608 1.00 1.93 N ATOM 0 H GLN A 24 4.954 8.239 -8.358 1.00 0.54 H new ATOM 0 HA GLN A 24 7.601 9.284 -9.180 1.00 0.52 H new ATOM 0 HB2 GLN A 24 6.442 9.550 -6.853 1.00 0.47 H new ATOM 0 HB3 GLN A 24 6.851 7.866 -6.592 1.00 0.47 H new ATOM 0 HG2 GLN A 24 8.869 8.678 -5.848 1.00 1.75 H new ATOM 0 HG3 GLN A 24 9.261 8.837 -7.548 1.00 1.75 H new ATOM 0 HE21 GLN A 24 9.360 10.970 -8.481 1.00 1.93 H new ATOM 0 HE22 GLN A 24 9.130 12.429 -7.512 1.00 1.93 H new ATOM 381 N LYS A 25 8.891 7.117 -9.404 1.00 0.56 N ATOM 382 CA LYS A 25 9.548 5.820 -9.741 1.00 0.56 C ATOM 383 C LYS A 25 10.988 5.825 -9.225 1.00 0.52 C ATOM 384 O LYS A 25 11.921 6.078 -9.961 1.00 0.86 O ATOM 385 CB LYS A 25 9.557 5.630 -11.261 1.00 0.54 C ATOM 386 CG LYS A 25 8.120 5.622 -11.790 1.00 0.58 C ATOM 387 CD LYS A 25 7.743 7.023 -12.277 1.00 1.52 C ATOM 388 CE LYS A 25 8.284 7.235 -13.692 1.00 1.61 C ATOM 389 NZ LYS A 25 7.220 6.913 -14.683 1.00 1.36 N ATOM 0 H LYS A 25 9.474 7.943 -9.539 1.00 0.56 H new ATOM 0 HA LYS A 25 8.996 5.005 -9.274 1.00 0.56 H new ATOM 0 HB2 LYS A 25 10.124 6.432 -11.734 1.00 0.54 H new ATOM 0 HB3 LYS A 25 10.054 4.694 -11.517 1.00 0.54 H new ATOM 0 HG2 LYS A 25 8.026 4.905 -12.606 1.00 0.58 H new ATOM 0 HG3 LYS A 25 7.435 5.303 -11.005 1.00 0.58 H new ATOM 0 HD2 LYS A 25 6.660 7.143 -12.269 1.00 1.52 H new ATOM 0 HD3 LYS A 25 8.152 7.776 -11.603 1.00 1.52 H new ATOM 0 HE2 LYS A 25 8.612 8.267 -13.817 1.00 1.61 H new ATOM 0 HE3 LYS A 25 9.155 6.601 -13.859 1.00 1.61 H new ATOM 0 HZ1 LYS A 25 7.587 7.057 -15.645 1.00 1.36 H new ATOM 0 HZ2 LYS A 25 6.928 5.922 -14.569 1.00 1.36 H new ATOM 0 HZ3 LYS A 25 6.401 7.535 -14.528 1.00 1.36 H new ATOM 403 N THR A 26 11.178 5.544 -7.964 1.00 0.39 N ATOM 404 CA THR A 26 12.560 5.529 -7.404 1.00 0.41 C ATOM 405 C THR A 26 13.145 4.123 -7.544 1.00 0.37 C ATOM 406 O THR A 26 12.488 3.212 -8.007 1.00 0.33 O ATOM 407 CB THR A 26 12.516 5.919 -5.924 1.00 0.46 C ATOM 408 OG1 THR A 26 12.172 4.782 -5.146 1.00 0.35 O ATOM 409 CG2 THR A 26 11.472 7.017 -5.715 1.00 0.54 C ATOM 0 H THR A 26 10.437 5.324 -7.298 1.00 0.39 H new ATOM 0 HA THR A 26 13.183 6.240 -7.947 1.00 0.41 H new ATOM 0 HB THR A 26 13.494 6.288 -5.616 1.00 0.46 H new ATOM 0 HG1 THR A 26 12.145 5.030 -4.198 1.00 0.35 H new ATOM 0 HG21 THR A 26 11.441 7.294 -4.661 1.00 0.54 H new ATOM 0 HG22 THR A 26 11.737 7.890 -6.312 1.00 0.54 H new ATOM 0 HG23 THR A 26 10.492 6.651 -6.023 1.00 0.54 H new ATOM 417 N LEU A 27 14.376 3.935 -7.149 1.00 0.41 N ATOM 418 CA LEU A 27 14.991 2.583 -7.266 1.00 0.39 C ATOM 419 C LEU A 27 14.313 1.632 -6.277 1.00 0.39 C ATOM 420 O LEU A 27 14.350 0.427 -6.433 1.00 0.48 O ATOM 421 CB LEU A 27 16.498 2.675 -6.980 1.00 0.43 C ATOM 422 CG LEU A 27 16.765 2.741 -5.468 1.00 0.24 C ATOM 423 CD1 LEU A 27 17.060 1.337 -4.917 1.00 0.23 C ATOM 424 CD2 LEU A 27 17.980 3.639 -5.216 1.00 0.31 C ATOM 0 H LEU A 27 14.979 4.656 -6.752 1.00 0.41 H new ATOM 0 HA LEU A 27 14.852 2.199 -8.277 1.00 0.39 H new ATOM 0 HB2 LEU A 27 17.007 1.810 -7.406 1.00 0.43 H new ATOM 0 HB3 LEU A 27 16.911 3.559 -7.465 1.00 0.43 H new ATOM 0 HG LEU A 27 15.884 3.143 -4.968 1.00 0.24 H new ATOM 0 HD11 LEU A 27 17.247 1.399 -3.845 1.00 0.23 H new ATOM 0 HD12 LEU A 27 16.204 0.687 -5.099 1.00 0.23 H new ATOM 0 HD13 LEU A 27 17.938 0.928 -5.416 1.00 0.23 H new ATOM 0 HD21 LEU A 27 18.177 3.692 -4.145 1.00 0.31 H new ATOM 0 HD22 LEU A 27 18.850 3.225 -5.725 1.00 0.31 H new ATOM 0 HD23 LEU A 27 17.778 4.640 -5.598 1.00 0.31 H new ATOM 436 N CYS A 28 13.691 2.166 -5.261 1.00 0.32 N ATOM 437 CA CYS A 28 13.008 1.297 -4.263 1.00 0.30 C ATOM 438 C CYS A 28 11.919 0.482 -4.963 1.00 0.34 C ATOM 439 O CYS A 28 11.257 -0.339 -4.358 1.00 0.36 O ATOM 440 CB CYS A 28 12.373 2.172 -3.179 1.00 0.28 C ATOM 441 SG CYS A 28 12.673 1.437 -1.553 1.00 0.25 S ATOM 0 H CYS A 28 13.627 3.168 -5.080 1.00 0.32 H new ATOM 0 HA CYS A 28 13.733 0.622 -3.808 1.00 0.30 H new ATOM 0 HB2 CYS A 28 12.792 3.178 -3.218 1.00 0.28 H new ATOM 0 HB3 CYS A 28 11.301 2.266 -3.355 1.00 0.28 H new ATOM 446 N THR A 29 11.729 0.701 -6.235 1.00 0.35 N ATOM 447 CA THR A 29 10.684 -0.060 -6.975 1.00 0.39 C ATOM 448 C THR A 29 11.266 -1.389 -7.461 1.00 0.42 C ATOM 449 O THR A 29 10.553 -2.260 -7.919 1.00 0.65 O ATOM 450 CB THR A 29 10.210 0.761 -8.177 1.00 0.43 C ATOM 451 OG1 THR A 29 11.306 0.985 -9.055 1.00 0.45 O ATOM 452 CG2 THR A 29 9.655 2.102 -7.697 1.00 0.41 C ATOM 0 H THR A 29 12.253 1.375 -6.794 1.00 0.35 H new ATOM 0 HA THR A 29 9.840 -0.255 -6.313 1.00 0.39 H new ATOM 0 HB THR A 29 9.426 0.216 -8.703 1.00 0.43 H new ATOM 0 HG1 THR A 29 11.756 1.821 -8.810 1.00 0.45 H new ATOM 0 HG21 THR A 29 9.318 2.684 -8.555 1.00 0.41 H new ATOM 0 HG22 THR A 29 8.815 1.928 -7.024 1.00 0.41 H new ATOM 0 HG23 THR A 29 10.435 2.651 -7.169 1.00 0.41 H new ATOM 460 N GLU A 30 12.558 -1.551 -7.365 1.00 0.30 N ATOM 461 CA GLU A 30 13.183 -2.824 -7.822 1.00 0.30 C ATOM 462 C GLU A 30 13.164 -3.842 -6.680 1.00 0.29 C ATOM 463 O GLU A 30 13.755 -4.899 -6.768 1.00 0.45 O ATOM 464 CB GLU A 30 14.630 -2.558 -8.245 1.00 0.33 C ATOM 465 CG GLU A 30 14.655 -1.490 -9.340 1.00 0.95 C ATOM 466 CD GLU A 30 15.191 -2.100 -10.636 1.00 0.74 C ATOM 467 OE1 GLU A 30 14.531 -2.974 -11.174 1.00 1.38 O ATOM 468 OE2 GLU A 30 16.252 -1.682 -11.069 1.00 1.39 O ATOM 0 H GLU A 30 13.206 -0.858 -6.991 1.00 0.30 H new ATOM 0 HA GLU A 30 12.623 -3.220 -8.669 1.00 0.30 H new ATOM 0 HB2 GLU A 30 15.216 -2.228 -7.387 1.00 0.33 H new ATOM 0 HB3 GLU A 30 15.088 -3.478 -8.609 1.00 0.33 H new ATOM 0 HG2 GLU A 30 13.652 -1.094 -9.500 1.00 0.95 H new ATOM 0 HG3 GLU A 30 15.283 -0.654 -9.033 1.00 0.95 H new ATOM 475 N LEU A 31 12.486 -3.532 -5.609 1.00 0.30 N ATOM 476 CA LEU A 31 12.430 -4.481 -4.462 1.00 0.26 C ATOM 477 C LEU A 31 11.189 -5.367 -4.594 1.00 0.27 C ATOM 478 O LEU A 31 10.094 -4.889 -4.813 1.00 0.60 O ATOM 479 CB LEU A 31 12.356 -3.695 -3.150 1.00 0.23 C ATOM 480 CG LEU A 31 13.495 -2.674 -3.100 1.00 0.17 C ATOM 481 CD1 LEU A 31 13.422 -1.892 -1.788 1.00 0.22 C ATOM 482 CD2 LEU A 31 14.837 -3.404 -3.184 1.00 0.12 C ATOM 0 H LEU A 31 11.969 -2.663 -5.479 1.00 0.30 H new ATOM 0 HA LEU A 31 13.325 -5.103 -4.463 1.00 0.26 H new ATOM 0 HB2 LEU A 31 11.395 -3.187 -3.072 1.00 0.23 H new ATOM 0 HB3 LEU A 31 12.426 -4.376 -2.302 1.00 0.23 H new ATOM 0 HG LEU A 31 13.402 -1.985 -3.939 1.00 0.17 H new ATOM 0 HD11 LEU A 31 14.233 -1.165 -1.752 1.00 0.22 H new ATOM 0 HD12 LEU A 31 12.466 -1.372 -1.727 1.00 0.22 H new ATOM 0 HD13 LEU A 31 13.515 -2.581 -0.948 1.00 0.22 H new ATOM 0 HD21 LEU A 31 15.649 -2.678 -3.149 1.00 0.12 H new ATOM 0 HD22 LEU A 31 14.929 -4.093 -2.345 1.00 0.12 H new ATOM 0 HD23 LEU A 31 14.890 -3.962 -4.119 1.00 0.12 H new ATOM 494 N THR A 32 11.351 -6.655 -4.462 1.00 0.21 N ATOM 495 CA THR A 32 10.181 -7.569 -4.580 1.00 0.16 C ATOM 496 C THR A 32 9.473 -7.668 -3.226 1.00 0.15 C ATOM 497 O THR A 32 10.029 -8.147 -2.258 1.00 0.16 O ATOM 498 CB THR A 32 10.660 -8.958 -5.007 1.00 0.15 C ATOM 499 OG1 THR A 32 11.798 -9.322 -4.238 1.00 0.35 O ATOM 500 CG2 THR A 32 11.030 -8.939 -6.490 1.00 0.33 C ATOM 0 H THR A 32 12.243 -7.114 -4.278 1.00 0.21 H new ATOM 0 HA THR A 32 9.488 -7.178 -5.325 1.00 0.16 H new ATOM 0 HB THR A 32 9.863 -9.683 -4.843 1.00 0.15 H new ATOM 0 HG1 THR A 32 11.679 -9.018 -3.314 1.00 0.35 H new ATOM 0 HG21 THR A 32 11.371 -9.929 -6.793 1.00 0.33 H new ATOM 0 HG22 THR A 32 10.157 -8.660 -7.079 1.00 0.33 H new ATOM 0 HG23 THR A 32 11.827 -8.214 -6.657 1.00 0.33 H new ATOM 508 N VAL A 33 8.251 -7.216 -3.152 1.00 0.18 N ATOM 509 CA VAL A 33 7.510 -7.283 -1.861 1.00 0.21 C ATOM 510 C VAL A 33 6.697 -8.578 -1.805 1.00 0.21 C ATOM 511 O VAL A 33 6.548 -9.271 -2.792 1.00 0.30 O ATOM 512 CB VAL A 33 6.567 -6.084 -1.751 1.00 0.27 C ATOM 513 CG1 VAL A 33 7.282 -4.824 -2.244 1.00 0.27 C ATOM 514 CG2 VAL A 33 5.325 -6.333 -2.610 1.00 0.26 C ATOM 0 H VAL A 33 7.734 -6.804 -3.929 1.00 0.18 H new ATOM 0 HA VAL A 33 8.220 -7.264 -1.034 1.00 0.21 H new ATOM 0 HB VAL A 33 6.270 -5.950 -0.711 1.00 0.27 H new ATOM 0 HG11 VAL A 33 6.610 -3.970 -2.165 1.00 0.27 H new ATOM 0 HG12 VAL A 33 8.168 -4.646 -1.634 1.00 0.27 H new ATOM 0 HG13 VAL A 33 7.579 -4.958 -3.284 1.00 0.27 H new ATOM 0 HG21 VAL A 33 4.652 -5.479 -2.533 1.00 0.26 H new ATOM 0 HG22 VAL A 33 5.623 -6.467 -3.650 1.00 0.26 H new ATOM 0 HG23 VAL A 33 4.815 -7.230 -2.260 1.00 0.26 H new ATOM 524 N THR A 34 6.170 -8.910 -0.658 1.00 0.27 N ATOM 525 CA THR A 34 5.367 -10.159 -0.540 1.00 0.26 C ATOM 526 C THR A 34 3.992 -9.944 -1.175 1.00 0.28 C ATOM 527 O THR A 34 3.342 -8.943 -0.947 1.00 0.41 O ATOM 528 CB THR A 34 5.196 -10.518 0.937 1.00 0.27 C ATOM 529 OG1 THR A 34 6.474 -10.689 1.532 1.00 0.38 O ATOM 530 CG2 THR A 34 4.397 -11.817 1.059 1.00 0.29 C ATOM 0 H THR A 34 6.261 -8.370 0.202 1.00 0.27 H new ATOM 0 HA THR A 34 5.881 -10.971 -1.054 1.00 0.26 H new ATOM 0 HB THR A 34 4.662 -9.716 1.447 1.00 0.27 H new ATOM 0 HG1 THR A 34 6.366 -10.917 2.479 1.00 0.38 H new ATOM 0 HG21 THR A 34 4.276 -12.072 2.112 1.00 0.29 H new ATOM 0 HG22 THR A 34 3.416 -11.685 0.602 1.00 0.29 H new ATOM 0 HG23 THR A 34 4.929 -12.621 0.550 1.00 0.29 H new ATOM 538 N ASP A 35 3.544 -10.875 -1.973 1.00 0.24 N ATOM 539 CA ASP A 35 2.211 -10.722 -2.622 1.00 0.25 C ATOM 540 C ASP A 35 1.111 -11.030 -1.605 1.00 0.39 C ATOM 541 O ASP A 35 1.377 -11.317 -0.455 1.00 1.00 O ATOM 542 CB ASP A 35 2.105 -11.693 -3.800 1.00 0.28 C ATOM 543 CG ASP A 35 0.840 -11.384 -4.604 1.00 0.33 C ATOM 544 OD1 ASP A 35 0.398 -10.248 -4.560 1.00 1.24 O ATOM 545 OD2 ASP A 35 0.337 -12.288 -5.250 1.00 1.12 O ATOM 0 H ASP A 35 4.043 -11.734 -2.203 1.00 0.24 H new ATOM 0 HA ASP A 35 2.096 -9.700 -2.982 1.00 0.25 H new ATOM 0 HB2 ASP A 35 2.985 -11.605 -4.438 1.00 0.28 H new ATOM 0 HB3 ASP A 35 2.076 -12.720 -3.437 1.00 0.28 H new ATOM 550 N ILE A 36 -0.126 -10.973 -2.020 1.00 0.16 N ATOM 551 CA ILE A 36 -1.243 -11.263 -1.077 1.00 0.09 C ATOM 552 C ILE A 36 -2.431 -11.835 -1.854 1.00 0.08 C ATOM 553 O ILE A 36 -3.147 -12.688 -1.370 1.00 0.06 O ATOM 554 CB ILE A 36 -1.666 -9.971 -0.376 1.00 0.24 C ATOM 555 CG1 ILE A 36 -2.019 -8.915 -1.426 1.00 0.39 C ATOM 556 CG2 ILE A 36 -0.516 -9.460 0.492 1.00 0.18 C ATOM 557 CD1 ILE A 36 -2.300 -7.580 -0.735 1.00 0.49 C ATOM 0 H ILE A 36 -0.411 -10.738 -2.971 1.00 0.16 H new ATOM 0 HA ILE A 36 -0.912 -11.988 -0.334 1.00 0.09 H new ATOM 0 HB ILE A 36 -2.535 -10.167 0.252 1.00 0.24 H new ATOM 0 HG12 ILE A 36 -1.199 -8.804 -2.135 1.00 0.39 H new ATOM 0 HG13 ILE A 36 -2.892 -9.232 -1.996 1.00 0.39 H new ATOM 0 HG21 ILE A 36 -0.818 -8.539 0.991 1.00 0.18 H new ATOM 0 HG22 ILE A 36 -0.263 -10.212 1.240 1.00 0.18 H new ATOM 0 HG23 ILE A 36 0.354 -9.264 -0.135 1.00 0.18 H new ATOM 0 HD11 ILE A 36 -2.551 -6.829 -1.484 1.00 0.49 H new ATOM 0 HD12 ILE A 36 -3.135 -7.697 -0.044 1.00 0.49 H new ATOM 0 HD13 ILE A 36 -1.415 -7.262 -0.185 1.00 0.49 H new ATOM 569 N PHE A 37 -2.644 -11.371 -3.055 1.00 0.14 N ATOM 570 CA PHE A 37 -3.785 -11.890 -3.861 1.00 0.17 C ATOM 571 C PHE A 37 -3.435 -13.275 -4.409 1.00 0.20 C ATOM 572 O PHE A 37 -4.230 -13.909 -5.073 1.00 0.18 O ATOM 573 CB PHE A 37 -4.063 -10.936 -5.024 1.00 0.24 C ATOM 574 CG PHE A 37 -4.244 -9.534 -4.494 1.00 0.31 C ATOM 575 CD1 PHE A 37 -5.428 -9.182 -3.835 1.00 0.37 C ATOM 576 CD2 PHE A 37 -3.227 -8.586 -4.659 1.00 0.33 C ATOM 577 CE1 PHE A 37 -5.596 -7.881 -3.344 1.00 0.45 C ATOM 578 CE2 PHE A 37 -3.394 -7.285 -4.168 1.00 0.42 C ATOM 579 CZ PHE A 37 -4.579 -6.933 -3.510 1.00 0.47 C ATOM 0 H PHE A 37 -2.078 -10.656 -3.512 1.00 0.14 H new ATOM 0 HA PHE A 37 -4.671 -11.963 -3.231 1.00 0.17 H new ATOM 0 HB2 PHE A 37 -3.238 -10.963 -5.736 1.00 0.24 H new ATOM 0 HB3 PHE A 37 -4.958 -11.251 -5.561 1.00 0.24 H new ATOM 0 HD1 PHE A 37 -6.212 -9.914 -3.705 1.00 0.37 H new ATOM 0 HD2 PHE A 37 -2.313 -8.858 -5.165 1.00 0.33 H new ATOM 0 HE1 PHE A 37 -6.510 -7.609 -2.837 1.00 0.45 H new ATOM 0 HE2 PHE A 37 -2.610 -6.554 -4.297 1.00 0.42 H new ATOM 0 HZ PHE A 37 -4.708 -5.930 -3.131 1.00 0.47 H new ATOM 589 N ALA A 38 -2.250 -13.748 -4.136 1.00 0.28 N ATOM 590 CA ALA A 38 -1.850 -15.092 -4.642 1.00 0.34 C ATOM 591 C ALA A 38 -2.176 -16.151 -3.587 1.00 0.40 C ATOM 592 O ALA A 38 -1.718 -17.274 -3.661 1.00 0.51 O ATOM 593 CB ALA A 38 -0.348 -15.103 -4.929 1.00 0.22 C ATOM 0 H ALA A 38 -1.542 -13.263 -3.585 1.00 0.28 H new ATOM 0 HA ALA A 38 -2.396 -15.312 -5.559 1.00 0.34 H new ATOM 0 HB1 ALA A 38 -0.055 -16.086 -5.299 1.00 0.22 H new ATOM 0 HB2 ALA A 38 -0.116 -14.348 -5.680 1.00 0.22 H new ATOM 0 HB3 ALA A 38 0.199 -14.883 -4.012 1.00 0.22 H new ATOM 599 N ALA A 39 -2.962 -15.803 -2.606 1.00 0.40 N ATOM 600 CA ALA A 39 -3.315 -16.791 -1.547 1.00 0.55 C ATOM 601 C ALA A 39 -4.610 -16.358 -0.857 1.00 0.58 C ATOM 602 O ALA A 39 -4.830 -16.638 0.305 1.00 0.68 O ATOM 603 CB ALA A 39 -2.187 -16.859 -0.517 1.00 0.59 C ATOM 0 H ALA A 39 -3.375 -14.878 -2.492 1.00 0.40 H new ATOM 0 HA ALA A 39 -3.455 -17.773 -1.998 1.00 0.55 H new ATOM 0 HB1 ALA A 39 -2.445 -17.581 0.258 1.00 0.59 H new ATOM 0 HB2 ALA A 39 -1.264 -17.167 -1.008 1.00 0.59 H new ATOM 0 HB3 ALA A 39 -2.047 -15.877 -0.065 1.00 0.59 H new ATOM 609 N SER A 40 -5.471 -15.675 -1.563 1.00 0.53 N ATOM 610 CA SER A 40 -6.750 -15.225 -0.945 1.00 0.55 C ATOM 611 C SER A 40 -7.833 -16.279 -1.191 1.00 0.51 C ATOM 612 O SER A 40 -8.435 -16.329 -2.244 1.00 0.44 O ATOM 613 CB SER A 40 -7.179 -13.898 -1.571 1.00 0.57 C ATOM 614 OG SER A 40 -8.170 -13.292 -0.753 1.00 1.29 O ATOM 0 H SER A 40 -5.343 -15.410 -2.540 1.00 0.53 H new ATOM 0 HA SER A 40 -6.609 -15.092 0.128 1.00 0.55 H new ATOM 0 HB2 SER A 40 -6.319 -13.236 -1.672 1.00 0.57 H new ATOM 0 HB3 SER A 40 -7.572 -14.066 -2.574 1.00 0.57 H new ATOM 0 HG SER A 40 -8.283 -13.817 0.067 1.00 1.29 H new ATOM 620 N LYS A 41 -8.084 -17.121 -0.226 1.00 0.59 N ATOM 621 CA LYS A 41 -9.128 -18.168 -0.405 1.00 0.57 C ATOM 622 C LYS A 41 -10.468 -17.648 0.118 1.00 0.24 C ATOM 623 O LYS A 41 -11.241 -17.056 -0.609 1.00 0.47 O ATOM 624 CB LYS A 41 -8.728 -19.424 0.374 1.00 0.92 C ATOM 625 CG LYS A 41 -7.428 -19.990 -0.199 1.00 1.11 C ATOM 626 CD LYS A 41 -6.337 -19.950 0.872 1.00 2.27 C ATOM 627 CE LYS A 41 -5.032 -20.499 0.292 1.00 2.05 C ATOM 628 NZ LYS A 41 -3.919 -20.248 1.250 1.00 3.51 N ATOM 0 H LYS A 41 -7.611 -17.129 0.678 1.00 0.59 H new ATOM 0 HA LYS A 41 -9.222 -18.411 -1.463 1.00 0.57 H new ATOM 0 HB2 LYS A 41 -8.598 -19.184 1.429 1.00 0.92 H new ATOM 0 HB3 LYS A 41 -9.520 -20.170 0.312 1.00 0.92 H new ATOM 0 HG2 LYS A 41 -7.583 -21.015 -0.537 1.00 1.11 H new ATOM 0 HG3 LYS A 41 -7.119 -19.411 -1.069 1.00 1.11 H new ATOM 0 HD2 LYS A 41 -6.191 -18.927 1.219 1.00 2.27 H new ATOM 0 HD3 LYS A 41 -6.640 -20.540 1.737 1.00 2.27 H new ATOM 0 HE2 LYS A 41 -5.128 -21.568 0.101 1.00 2.05 H new ATOM 0 HE3 LYS A 41 -4.818 -20.022 -0.664 1.00 2.05 H new ATOM 0 HZ1 LYS A 41 -3.031 -20.621 0.856 1.00 3.51 H new ATOM 0 HZ2 LYS A 41 -3.824 -19.225 1.411 1.00 3.51 H new ATOM 0 HZ3 LYS A 41 -4.124 -20.723 2.152 1.00 3.51 H new ATOM 642 N ASP A 42 -10.751 -17.864 1.373 1.00 0.41 N ATOM 643 CA ASP A 42 -12.040 -17.381 1.941 1.00 0.60 C ATOM 644 C ASP A 42 -11.842 -15.991 2.548 1.00 0.65 C ATOM 645 O ASP A 42 -12.789 -15.313 2.893 1.00 1.25 O ATOM 646 CB ASP A 42 -12.514 -18.349 3.027 1.00 0.99 C ATOM 647 CG ASP A 42 -12.254 -19.788 2.578 1.00 1.11 C ATOM 648 OD1 ASP A 42 -11.103 -20.191 2.582 1.00 0.73 O ATOM 649 OD2 ASP A 42 -13.212 -20.463 2.236 1.00 2.35 O ATOM 0 H ASP A 42 -10.144 -18.355 2.030 1.00 0.41 H new ATOM 0 HA ASP A 42 -12.788 -17.328 1.150 1.00 0.60 H new ATOM 0 HB2 ASP A 42 -11.990 -18.148 3.962 1.00 0.99 H new ATOM 0 HB3 ASP A 42 -13.577 -18.204 3.220 1.00 0.99 H new ATOM 654 N THR A 43 -10.617 -15.561 2.682 1.00 0.37 N ATOM 655 CA THR A 43 -10.359 -14.215 3.266 1.00 0.32 C ATOM 656 C THR A 43 -11.260 -13.182 2.585 1.00 0.21 C ATOM 657 O THR A 43 -11.396 -13.163 1.378 1.00 0.12 O ATOM 658 CB THR A 43 -8.892 -13.836 3.048 1.00 0.31 C ATOM 659 OG1 THR A 43 -8.490 -14.240 1.746 1.00 0.43 O ATOM 660 CG2 THR A 43 -8.022 -14.533 4.094 1.00 0.75 C ATOM 0 H THR A 43 -9.784 -16.084 2.412 1.00 0.37 H new ATOM 0 HA THR A 43 -10.573 -14.236 4.335 1.00 0.32 H new ATOM 0 HB THR A 43 -8.776 -12.757 3.146 1.00 0.31 H new ATOM 0 HG1 THR A 43 -7.991 -15.082 1.804 1.00 0.43 H new ATOM 0 HG21 THR A 43 -6.978 -14.262 3.938 1.00 0.75 H new ATOM 0 HG22 THR A 43 -8.332 -14.221 5.091 1.00 0.75 H new ATOM 0 HG23 THR A 43 -8.135 -15.613 4.000 1.00 0.75 H new ATOM 668 N THR A 44 -11.876 -12.323 3.350 1.00 0.28 N ATOM 669 CA THR A 44 -12.767 -11.293 2.746 1.00 0.22 C ATOM 670 C THR A 44 -11.966 -10.016 2.485 1.00 0.18 C ATOM 671 O THR A 44 -10.798 -9.926 2.810 1.00 0.33 O ATOM 672 CB THR A 44 -13.917 -10.985 3.708 1.00 0.33 C ATOM 673 OG1 THR A 44 -13.594 -9.834 4.476 1.00 1.25 O ATOM 674 CG2 THR A 44 -14.139 -12.178 4.639 1.00 0.75 C ATOM 0 H THR A 44 -11.801 -12.290 4.367 1.00 0.28 H new ATOM 0 HA THR A 44 -13.170 -11.668 1.806 1.00 0.22 H new ATOM 0 HB THR A 44 -14.828 -10.798 3.139 1.00 0.33 H new ATOM 0 HG1 THR A 44 -14.330 -9.634 5.092 1.00 1.25 H new ATOM 0 HG21 THR A 44 -14.958 -11.958 5.324 1.00 0.75 H new ATOM 0 HG22 THR A 44 -14.387 -13.060 4.048 1.00 0.75 H new ATOM 0 HG23 THR A 44 -13.230 -12.368 5.210 1.00 0.75 H new ATOM 682 N GLU A 45 -12.582 -9.025 1.901 1.00 0.25 N ATOM 683 CA GLU A 45 -11.854 -7.756 1.621 1.00 0.24 C ATOM 684 C GLU A 45 -11.169 -7.268 2.899 1.00 0.23 C ATOM 685 O GLU A 45 -10.147 -6.614 2.856 1.00 0.27 O ATOM 686 CB GLU A 45 -12.845 -6.695 1.137 1.00 0.30 C ATOM 687 CG GLU A 45 -13.861 -7.339 0.191 1.00 0.54 C ATOM 688 CD GLU A 45 -15.131 -7.689 0.969 1.00 0.70 C ATOM 689 OE1 GLU A 45 -15.011 -8.055 2.126 1.00 1.95 O ATOM 690 OE2 GLU A 45 -16.202 -7.588 0.394 1.00 1.14 O ATOM 0 H GLU A 45 -13.558 -9.040 1.606 1.00 0.25 H new ATOM 0 HA GLU A 45 -11.103 -7.931 0.850 1.00 0.24 H new ATOM 0 HB2 GLU A 45 -13.358 -6.246 1.988 1.00 0.30 H new ATOM 0 HB3 GLU A 45 -12.314 -5.892 0.625 1.00 0.30 H new ATOM 0 HG2 GLU A 45 -14.098 -6.656 -0.625 1.00 0.54 H new ATOM 0 HG3 GLU A 45 -13.437 -8.237 -0.258 1.00 0.54 H new ATOM 697 N LYS A 46 -11.725 -7.581 4.037 1.00 0.21 N ATOM 698 CA LYS A 46 -11.105 -7.135 5.317 1.00 0.19 C ATOM 699 C LYS A 46 -9.700 -7.728 5.436 1.00 0.19 C ATOM 700 O LYS A 46 -8.711 -7.030 5.339 1.00 0.38 O ATOM 701 CB LYS A 46 -11.961 -7.613 6.492 1.00 0.20 C ATOM 702 CG LYS A 46 -13.352 -6.981 6.402 1.00 0.35 C ATOM 703 CD LYS A 46 -13.359 -5.651 7.157 1.00 0.67 C ATOM 704 CE LYS A 46 -13.665 -5.905 8.635 1.00 0.82 C ATOM 705 NZ LYS A 46 -15.141 -5.965 8.833 1.00 1.09 N ATOM 0 H LYS A 46 -12.581 -8.126 4.136 1.00 0.21 H new ATOM 0 HA LYS A 46 -11.043 -6.047 5.331 1.00 0.19 H new ATOM 0 HB2 LYS A 46 -12.042 -8.700 6.478 1.00 0.20 H new ATOM 0 HB3 LYS A 46 -11.487 -7.341 7.435 1.00 0.20 H new ATOM 0 HG2 LYS A 46 -13.623 -6.820 5.359 1.00 0.35 H new ATOM 0 HG3 LYS A 46 -14.097 -7.655 6.825 1.00 0.35 H new ATOM 0 HD2 LYS A 46 -12.393 -5.157 7.054 1.00 0.67 H new ATOM 0 HD3 LYS A 46 -14.106 -4.982 6.730 1.00 0.67 H new ATOM 0 HE2 LYS A 46 -13.206 -6.840 8.957 1.00 0.82 H new ATOM 0 HE3 LYS A 46 -13.237 -5.112 9.248 1.00 0.82 H new ATOM 0 HZ1 LYS A 46 -15.350 -6.138 9.837 1.00 1.09 H new ATOM 0 HZ2 LYS A 46 -15.567 -5.063 8.541 1.00 1.09 H new ATOM 0 HZ3 LYS A 46 -15.537 -6.737 8.259 1.00 1.09 H new ATOM 719 N GLU A 47 -9.604 -9.013 5.646 1.00 0.04 N ATOM 720 CA GLU A 47 -8.261 -9.649 5.772 1.00 0.06 C ATOM 721 C GLU A 47 -7.404 -9.270 4.563 1.00 0.03 C ATOM 722 O GLU A 47 -6.193 -9.354 4.599 1.00 0.06 O ATOM 723 CB GLU A 47 -8.421 -11.169 5.828 1.00 0.12 C ATOM 724 CG GLU A 47 -8.916 -11.579 7.217 1.00 0.21 C ATOM 725 CD GLU A 47 -9.977 -12.673 7.078 1.00 1.18 C ATOM 726 OE1 GLU A 47 -9.668 -13.700 6.496 1.00 1.57 O ATOM 727 OE2 GLU A 47 -11.079 -12.466 7.558 1.00 2.14 O ATOM 0 H GLU A 47 -10.396 -9.649 5.736 1.00 0.04 H new ATOM 0 HA GLU A 47 -7.777 -9.301 6.684 1.00 0.06 H new ATOM 0 HB2 GLU A 47 -9.127 -11.499 5.066 1.00 0.12 H new ATOM 0 HB3 GLU A 47 -7.469 -11.654 5.612 1.00 0.12 H new ATOM 0 HG2 GLU A 47 -8.083 -11.940 7.820 1.00 0.21 H new ATOM 0 HG3 GLU A 47 -9.334 -10.716 7.735 1.00 0.21 H new ATOM 734 N THR A 48 -8.022 -8.855 3.491 1.00 0.04 N ATOM 735 CA THR A 48 -7.241 -8.472 2.281 1.00 0.09 C ATOM 736 C THR A 48 -6.490 -7.167 2.552 1.00 0.12 C ATOM 737 O THR A 48 -5.306 -7.058 2.301 1.00 0.19 O ATOM 738 CB THR A 48 -8.193 -8.278 1.099 1.00 0.10 C ATOM 739 OG1 THR A 48 -9.197 -9.283 1.132 1.00 0.18 O ATOM 740 CG2 THR A 48 -7.410 -8.378 -0.211 1.00 0.27 C ATOM 0 H THR A 48 -9.034 -8.765 3.401 1.00 0.04 H new ATOM 0 HA THR A 48 -6.526 -9.260 2.045 1.00 0.09 H new ATOM 0 HB THR A 48 -8.660 -7.295 1.165 1.00 0.10 H new ATOM 0 HG1 THR A 48 -9.745 -9.171 1.937 1.00 0.18 H new ATOM 0 HG21 THR A 48 -8.089 -8.240 -1.052 1.00 0.27 H new ATOM 0 HG22 THR A 48 -6.641 -7.606 -0.235 1.00 0.27 H new ATOM 0 HG23 THR A 48 -6.941 -9.360 -0.281 1.00 0.27 H new ATOM 748 N PHE A 49 -7.168 -6.176 3.062 1.00 0.09 N ATOM 749 CA PHE A 49 -6.490 -4.879 3.347 1.00 0.14 C ATOM 750 C PHE A 49 -5.423 -5.090 4.423 1.00 0.17 C ATOM 751 O PHE A 49 -4.411 -4.417 4.446 1.00 0.20 O ATOM 752 CB PHE A 49 -7.520 -3.863 3.843 1.00 0.14 C ATOM 753 CG PHE A 49 -8.531 -3.596 2.751 1.00 0.15 C ATOM 754 CD1 PHE A 49 -8.130 -2.966 1.567 1.00 0.20 C ATOM 755 CD2 PHE A 49 -9.868 -3.980 2.922 1.00 0.16 C ATOM 756 CE1 PHE A 49 -9.065 -2.717 0.554 1.00 0.23 C ATOM 757 CE2 PHE A 49 -10.802 -3.733 1.909 1.00 0.22 C ATOM 758 CZ PHE A 49 -10.401 -3.101 0.726 1.00 0.25 C ATOM 0 H PHE A 49 -8.161 -6.208 3.294 1.00 0.09 H new ATOM 0 HA PHE A 49 -6.021 -4.505 2.437 1.00 0.14 H new ATOM 0 HB2 PHE A 49 -8.022 -4.243 4.733 1.00 0.14 H new ATOM 0 HB3 PHE A 49 -7.024 -2.936 4.128 1.00 0.14 H new ATOM 0 HD1 PHE A 49 -7.099 -2.672 1.434 1.00 0.20 H new ATOM 0 HD2 PHE A 49 -10.178 -4.466 3.835 1.00 0.16 H new ATOM 0 HE1 PHE A 49 -8.756 -2.229 -0.359 1.00 0.23 H new ATOM 0 HE2 PHE A 49 -11.832 -4.030 2.040 1.00 0.22 H new ATOM 0 HZ PHE A 49 -11.122 -2.909 -0.055 1.00 0.25 H new ATOM 768 N CYS A 50 -5.640 -6.017 5.314 1.00 0.17 N ATOM 769 CA CYS A 50 -4.636 -6.269 6.387 1.00 0.21 C ATOM 770 C CYS A 50 -3.345 -6.800 5.761 1.00 0.21 C ATOM 771 O CYS A 50 -2.302 -6.184 5.850 1.00 0.22 O ATOM 772 CB CYS A 50 -5.187 -7.302 7.372 1.00 0.25 C ATOM 773 SG CYS A 50 -3.814 -8.233 8.096 1.00 0.47 S ATOM 0 H CYS A 50 -6.469 -6.611 5.346 1.00 0.17 H new ATOM 0 HA CYS A 50 -4.429 -5.339 6.916 1.00 0.21 H new ATOM 0 HB2 CYS A 50 -5.758 -6.805 8.156 1.00 0.25 H new ATOM 0 HB3 CYS A 50 -5.871 -7.980 6.861 1.00 0.25 H new ATOM 778 N ARG A 51 -3.407 -7.942 5.130 1.00 0.22 N ATOM 779 CA ARG A 51 -2.183 -8.512 4.500 1.00 0.24 C ATOM 780 C ARG A 51 -1.472 -7.424 3.692 1.00 0.21 C ATOM 781 O ARG A 51 -0.260 -7.337 3.683 1.00 0.26 O ATOM 782 CB ARG A 51 -2.576 -9.664 3.573 1.00 0.25 C ATOM 783 CG ARG A 51 -3.039 -10.858 4.409 1.00 0.32 C ATOM 784 CD ARG A 51 -3.427 -12.012 3.483 1.00 0.41 C ATOM 785 NE ARG A 51 -2.401 -13.088 3.574 1.00 1.13 N ATOM 786 CZ ARG A 51 -2.664 -14.281 3.112 1.00 1.27 C ATOM 787 NH1 ARG A 51 -3.825 -14.530 2.572 1.00 0.69 N ATOM 788 NH2 ARG A 51 -1.765 -15.224 3.192 1.00 2.11 N ATOM 0 H ARG A 51 -4.252 -8.504 5.024 1.00 0.22 H new ATOM 0 HA ARG A 51 -1.513 -8.884 5.276 1.00 0.24 H new ATOM 0 HB2 ARG A 51 -3.373 -9.347 2.900 1.00 0.25 H new ATOM 0 HB3 ARG A 51 -1.728 -9.949 2.951 1.00 0.25 H new ATOM 0 HG2 ARG A 51 -2.244 -11.172 5.085 1.00 0.32 H new ATOM 0 HG3 ARG A 51 -3.890 -10.573 5.028 1.00 0.32 H new ATOM 0 HD2 ARG A 51 -4.405 -12.403 3.762 1.00 0.41 H new ATOM 0 HD3 ARG A 51 -3.507 -11.657 2.456 1.00 0.41 H new ATOM 0 HE ARG A 51 -1.493 -12.893 3.997 1.00 1.13 H new ATOM 0 HH11 ARG A 51 -4.527 -13.793 2.511 1.00 0.69 H new ATOM 0 HH12 ARG A 51 -4.030 -15.462 2.211 1.00 0.69 H new ATOM 0 HH21 ARG A 51 -0.858 -15.029 3.615 1.00 2.11 H new ATOM 0 HH22 ARG A 51 -1.970 -16.156 2.831 1.00 2.11 H new ATOM 802 N ALA A 52 -2.217 -6.594 3.015 1.00 0.13 N ATOM 803 CA ALA A 52 -1.583 -5.513 2.211 1.00 0.12 C ATOM 804 C ALA A 52 -0.774 -4.601 3.135 1.00 0.11 C ATOM 805 O ALA A 52 0.376 -4.305 2.880 1.00 0.11 O ATOM 806 CB ALA A 52 -2.668 -4.695 1.508 1.00 0.09 C ATOM 0 H ALA A 52 -3.236 -6.618 2.984 1.00 0.13 H new ATOM 0 HA ALA A 52 -0.922 -5.954 1.465 1.00 0.12 H new ATOM 0 HB1 ALA A 52 -2.203 -3.904 0.920 1.00 0.09 H new ATOM 0 HB2 ALA A 52 -3.245 -5.345 0.850 1.00 0.09 H new ATOM 0 HB3 ALA A 52 -3.330 -4.252 2.253 1.00 0.09 H new ATOM 812 N ALA A 53 -1.368 -4.153 4.208 1.00 0.11 N ATOM 813 CA ALA A 53 -0.632 -3.261 5.149 1.00 0.11 C ATOM 814 C ALA A 53 0.560 -4.016 5.738 1.00 0.10 C ATOM 815 O ALA A 53 1.643 -3.480 5.869 1.00 0.08 O ATOM 816 CB ALA A 53 -1.570 -2.827 6.276 1.00 0.11 C ATOM 0 H ALA A 53 -2.330 -4.366 4.473 1.00 0.11 H new ATOM 0 HA ALA A 53 -0.275 -2.381 4.614 1.00 0.11 H new ATOM 0 HB1 ALA A 53 -1.033 -2.175 6.965 1.00 0.11 H new ATOM 0 HB2 ALA A 53 -2.420 -2.290 5.855 1.00 0.11 H new ATOM 0 HB3 ALA A 53 -1.926 -3.707 6.812 1.00 0.11 H new ATOM 822 N THR A 54 0.372 -5.257 6.096 1.00 0.14 N ATOM 823 CA THR A 54 1.497 -6.043 6.676 1.00 0.16 C ATOM 824 C THR A 54 2.733 -5.891 5.788 1.00 0.13 C ATOM 825 O THR A 54 3.829 -5.673 6.265 1.00 0.10 O ATOM 826 CB THR A 54 1.101 -7.521 6.753 1.00 0.23 C ATOM 827 OG1 THR A 54 -0.162 -7.638 7.393 1.00 0.28 O ATOM 828 CG2 THR A 54 2.154 -8.292 7.550 1.00 0.23 C ATOM 0 H THR A 54 -0.511 -5.760 6.012 1.00 0.14 H new ATOM 0 HA THR A 54 1.721 -5.675 7.677 1.00 0.16 H new ATOM 0 HB THR A 54 1.038 -7.934 5.746 1.00 0.23 H new ATOM 0 HG1 THR A 54 -0.418 -8.583 7.442 1.00 0.28 H new ATOM 0 HG21 THR A 54 1.871 -9.343 7.604 1.00 0.23 H new ATOM 0 HG22 THR A 54 3.122 -8.201 7.057 1.00 0.23 H new ATOM 0 HG23 THR A 54 2.220 -7.882 8.558 1.00 0.23 H new ATOM 836 N VAL A 55 2.566 -6.003 4.499 1.00 0.17 N ATOM 837 CA VAL A 55 3.731 -5.862 3.582 1.00 0.18 C ATOM 838 C VAL A 55 4.284 -4.439 3.680 1.00 0.15 C ATOM 839 O VAL A 55 5.432 -4.231 4.021 1.00 0.15 O ATOM 840 CB VAL A 55 3.286 -6.139 2.145 1.00 0.25 C ATOM 841 CG1 VAL A 55 4.507 -6.153 1.224 1.00 0.23 C ATOM 842 CG2 VAL A 55 2.585 -7.498 2.081 1.00 0.27 C ATOM 0 H VAL A 55 1.673 -6.186 4.041 1.00 0.17 H new ATOM 0 HA VAL A 55 4.506 -6.575 3.865 1.00 0.18 H new ATOM 0 HB VAL A 55 2.597 -5.358 1.823 1.00 0.25 H new ATOM 0 HG11 VAL A 55 4.188 -6.350 0.200 1.00 0.23 H new ATOM 0 HG12 VAL A 55 5.007 -5.186 1.268 1.00 0.23 H new ATOM 0 HG13 VAL A 55 5.197 -6.933 1.546 1.00 0.23 H new ATOM 0 HG21 VAL A 55 2.268 -7.696 1.057 1.00 0.27 H new ATOM 0 HG22 VAL A 55 3.274 -8.278 2.405 1.00 0.27 H new ATOM 0 HG23 VAL A 55 1.714 -7.489 2.736 1.00 0.27 H new ATOM 852 N LEU A 56 3.476 -3.457 3.385 1.00 0.17 N ATOM 853 CA LEU A 56 3.956 -2.050 3.464 1.00 0.20 C ATOM 854 C LEU A 56 4.667 -1.832 4.802 1.00 0.19 C ATOM 855 O LEU A 56 5.607 -1.069 4.899 1.00 0.22 O ATOM 856 CB LEU A 56 2.764 -1.096 3.358 1.00 0.25 C ATOM 857 CG LEU A 56 1.962 -1.415 2.095 1.00 0.24 C ATOM 858 CD1 LEU A 56 0.765 -0.468 1.998 1.00 0.33 C ATOM 859 CD2 LEU A 56 2.853 -1.236 0.863 1.00 0.13 C ATOM 0 H LEU A 56 2.505 -3.569 3.093 1.00 0.17 H new ATOM 0 HA LEU A 56 4.649 -1.855 2.646 1.00 0.20 H new ATOM 0 HB2 LEU A 56 2.129 -1.193 4.238 1.00 0.25 H new ATOM 0 HB3 LEU A 56 3.113 -0.064 3.328 1.00 0.25 H new ATOM 0 HG LEU A 56 1.609 -2.445 2.141 1.00 0.24 H new ATOM 0 HD11 LEU A 56 0.193 -0.695 1.098 1.00 0.33 H new ATOM 0 HD12 LEU A 56 0.129 -0.595 2.874 1.00 0.33 H new ATOM 0 HD13 LEU A 56 1.119 0.562 1.953 1.00 0.33 H new ATOM 0 HD21 LEU A 56 2.281 -1.464 -0.036 1.00 0.13 H new ATOM 0 HD22 LEU A 56 3.207 -0.206 0.817 1.00 0.13 H new ATOM 0 HD23 LEU A 56 3.707 -1.911 0.930 1.00 0.13 H new ATOM 871 N ARG A 57 4.228 -2.498 5.833 1.00 0.16 N ATOM 872 CA ARG A 57 4.883 -2.327 7.159 1.00 0.18 C ATOM 873 C ARG A 57 6.349 -2.756 7.061 1.00 0.15 C ATOM 874 O ARG A 57 7.252 -1.966 7.250 1.00 0.20 O ATOM 875 CB ARG A 57 4.167 -3.194 8.199 1.00 0.20 C ATOM 876 CG ARG A 57 3.431 -2.294 9.193 1.00 0.72 C ATOM 877 CD ARG A 57 2.523 -3.148 10.079 1.00 1.08 C ATOM 878 NE ARG A 57 2.934 -4.577 9.982 1.00 1.88 N ATOM 879 CZ ARG A 57 2.508 -5.441 10.863 1.00 2.10 C ATOM 880 NH1 ARG A 57 1.721 -5.053 11.829 1.00 1.21 N ATOM 881 NH2 ARG A 57 2.868 -6.692 10.777 1.00 3.43 N ATOM 0 H ARG A 57 3.446 -3.152 5.815 1.00 0.16 H new ATOM 0 HA ARG A 57 4.828 -1.281 7.459 1.00 0.18 H new ATOM 0 HB2 ARG A 57 3.462 -3.863 7.707 1.00 0.20 H new ATOM 0 HB3 ARG A 57 4.888 -3.821 8.724 1.00 0.20 H new ATOM 0 HG2 ARG A 57 4.148 -1.750 9.807 1.00 0.72 H new ATOM 0 HG3 ARG A 57 2.840 -1.550 8.658 1.00 0.72 H new ATOM 0 HD2 ARG A 57 2.585 -2.810 11.114 1.00 1.08 H new ATOM 0 HD3 ARG A 57 1.484 -3.036 9.769 1.00 1.08 H new ATOM 0 HE ARG A 57 3.549 -4.880 9.227 1.00 1.88 H new ATOM 0 HH11 ARG A 57 1.439 -4.075 11.895 1.00 1.21 H new ATOM 0 HH12 ARG A 57 1.388 -5.728 12.518 1.00 1.21 H new ATOM 0 HH21 ARG A 57 3.482 -6.995 10.021 1.00 3.43 H new ATOM 0 HH22 ARG A 57 2.535 -7.367 11.465 1.00 3.43 H new ATOM 895 N GLN A 58 6.592 -4.004 6.765 1.00 0.12 N ATOM 896 CA GLN A 58 7.999 -4.485 6.656 1.00 0.14 C ATOM 897 C GLN A 58 8.684 -3.808 5.465 1.00 0.13 C ATOM 898 O GLN A 58 9.853 -4.018 5.209 1.00 0.15 O ATOM 899 CB GLN A 58 8.003 -6.001 6.450 1.00 0.22 C ATOM 900 CG GLN A 58 7.057 -6.364 5.303 1.00 0.15 C ATOM 901 CD GLN A 58 7.134 -7.868 5.034 1.00 0.40 C ATOM 902 OE1 GLN A 58 7.386 -8.646 5.933 1.00 1.05 O ATOM 903 NE2 GLN A 58 6.926 -8.313 3.825 1.00 1.20 N ATOM 0 H GLN A 58 5.877 -4.711 6.594 1.00 0.12 H new ATOM 0 HA GLN A 58 8.538 -4.238 7.571 1.00 0.14 H new ATOM 0 HB2 GLN A 58 9.013 -6.345 6.225 1.00 0.22 H new ATOM 0 HB3 GLN A 58 7.691 -6.504 7.365 1.00 0.22 H new ATOM 0 HG2 GLN A 58 6.035 -6.081 5.557 1.00 0.15 H new ATOM 0 HG3 GLN A 58 7.328 -5.809 4.405 1.00 0.15 H new ATOM 0 HE21 GLN A 58 6.714 -7.660 3.071 1.00 1.20 H new ATOM 0 HE22 GLN A 58 6.975 -9.314 3.634 1.00 1.20 H new ATOM 912 N PHE A 59 7.966 -2.998 4.733 1.00 0.14 N ATOM 913 CA PHE A 59 8.582 -2.317 3.559 1.00 0.21 C ATOM 914 C PHE A 59 9.285 -1.033 4.012 1.00 0.22 C ATOM 915 O PHE A 59 10.494 -0.926 3.956 1.00 0.24 O ATOM 916 CB PHE A 59 7.493 -1.967 2.542 1.00 0.26 C ATOM 917 CG PHE A 59 8.135 -1.528 1.248 1.00 0.26 C ATOM 918 CD1 PHE A 59 8.548 -2.482 0.310 1.00 0.26 C ATOM 919 CD2 PHE A 59 8.316 -0.164 0.985 1.00 0.27 C ATOM 920 CE1 PHE A 59 9.142 -2.074 -0.890 1.00 0.26 C ATOM 921 CE2 PHE A 59 8.911 0.245 -0.215 1.00 0.26 C ATOM 922 CZ PHE A 59 9.324 -0.710 -1.151 1.00 0.26 C ATOM 0 H PHE A 59 6.983 -2.780 4.897 1.00 0.14 H new ATOM 0 HA PHE A 59 9.311 -2.985 3.100 1.00 0.21 H new ATOM 0 HB2 PHE A 59 6.852 -2.831 2.368 1.00 0.26 H new ATOM 0 HB3 PHE A 59 6.857 -1.173 2.933 1.00 0.26 H new ATOM 0 HD1 PHE A 59 8.408 -3.534 0.513 1.00 0.26 H new ATOM 0 HD2 PHE A 59 7.997 0.572 1.708 1.00 0.27 H new ATOM 0 HE1 PHE A 59 9.460 -2.810 -1.614 1.00 0.26 H new ATOM 0 HE2 PHE A 59 9.051 1.296 -0.418 1.00 0.26 H new ATOM 0 HZ PHE A 59 9.784 -0.395 -2.076 1.00 0.26 H new ATOM 932 N TYR A 60 8.539 -0.056 4.451 1.00 0.30 N ATOM 933 CA TYR A 60 9.171 1.220 4.896 1.00 0.37 C ATOM 934 C TYR A 60 9.772 1.047 6.294 1.00 0.34 C ATOM 935 O TYR A 60 10.398 1.944 6.823 1.00 0.40 O ATOM 936 CB TYR A 60 8.118 2.331 4.927 1.00 0.45 C ATOM 937 CG TYR A 60 7.067 2.009 5.962 1.00 0.42 C ATOM 938 CD1 TYR A 60 7.313 2.267 7.317 1.00 0.46 C ATOM 939 CD2 TYR A 60 5.844 1.454 5.567 1.00 0.38 C ATOM 940 CE1 TYR A 60 6.336 1.969 8.274 1.00 0.47 C ATOM 941 CE2 TYR A 60 4.868 1.155 6.525 1.00 0.38 C ATOM 942 CZ TYR A 60 5.113 1.413 7.878 1.00 0.43 C ATOM 943 OH TYR A 60 4.151 1.119 8.823 1.00 0.47 O ATOM 0 H TYR A 60 7.522 -0.085 4.521 1.00 0.30 H new ATOM 0 HA TYR A 60 9.963 1.487 4.197 1.00 0.37 H new ATOM 0 HB2 TYR A 60 8.590 3.286 5.159 1.00 0.45 H new ATOM 0 HB3 TYR A 60 7.656 2.434 3.945 1.00 0.45 H new ATOM 0 HD1 TYR A 60 8.256 2.696 7.623 1.00 0.46 H new ATOM 0 HD2 TYR A 60 5.653 1.256 4.522 1.00 0.38 H new ATOM 0 HE1 TYR A 60 6.525 2.168 9.318 1.00 0.47 H new ATOM 0 HE2 TYR A 60 3.926 0.725 6.219 1.00 0.38 H new ATOM 0 HH TYR A 60 3.294 0.953 8.377 1.00 0.47 H new ATOM 953 N SER A 61 9.591 -0.095 6.898 1.00 0.27 N ATOM 954 CA SER A 61 10.157 -0.309 8.261 1.00 0.28 C ATOM 955 C SER A 61 11.567 -0.895 8.143 1.00 0.22 C ATOM 956 O SER A 61 12.466 -0.522 8.869 1.00 0.26 O ATOM 957 CB SER A 61 9.267 -1.277 9.040 1.00 0.29 C ATOM 958 OG SER A 61 7.959 -0.732 9.143 1.00 0.34 O ATOM 0 H SER A 61 9.078 -0.886 6.509 1.00 0.27 H new ATOM 0 HA SER A 61 10.202 0.645 8.787 1.00 0.28 H new ATOM 0 HB2 SER A 61 9.232 -2.243 8.536 1.00 0.29 H new ATOM 0 HB3 SER A 61 9.681 -1.450 10.033 1.00 0.29 H new ATOM 0 HG SER A 61 7.344 -1.248 8.581 1.00 0.34 H new ATOM 964 N HIS A 62 11.766 -1.810 7.235 1.00 0.15 N ATOM 965 CA HIS A 62 13.117 -2.418 7.074 1.00 0.13 C ATOM 966 C HIS A 62 13.928 -1.605 6.063 1.00 0.17 C ATOM 967 O HIS A 62 14.990 -1.098 6.368 1.00 0.55 O ATOM 968 CB HIS A 62 12.973 -3.857 6.573 1.00 0.17 C ATOM 969 CG HIS A 62 12.845 -4.787 7.747 1.00 0.37 C ATOM 970 ND1 HIS A 62 11.628 -5.047 8.355 1.00 0.56 N ATOM 971 CD2 HIS A 62 13.774 -5.525 8.438 1.00 1.38 C ATOM 972 CE1 HIS A 62 11.853 -5.909 9.364 1.00 0.28 C ATOM 973 NE2 HIS A 62 13.145 -6.233 9.459 1.00 1.14 N ATOM 0 H HIS A 62 11.052 -2.163 6.598 1.00 0.15 H new ATOM 0 HA HIS A 62 13.631 -2.417 8.035 1.00 0.13 H new ATOM 0 HB2 HIS A 62 12.097 -3.943 5.930 1.00 0.17 H new ATOM 0 HB3 HIS A 62 13.839 -4.132 5.971 1.00 0.17 H new ATOM 0 HD2 HIS A 62 14.832 -5.552 8.222 1.00 1.38 H new ATOM 0 HE1 HIS A 62 11.083 -6.292 10.017 1.00 0.28 H new ATOM 0 HE2 HIS A 62 13.578 -6.863 10.134 1.00 1.14 H new ATOM 981 N HIS A 63 13.438 -1.477 4.860 1.00 0.28 N ATOM 982 CA HIS A 63 14.182 -0.699 3.831 1.00 0.20 C ATOM 983 C HIS A 63 14.609 0.649 4.415 1.00 0.21 C ATOM 984 O HIS A 63 15.755 1.041 4.324 1.00 0.21 O ATOM 985 CB HIS A 63 13.279 -0.465 2.618 1.00 0.14 C ATOM 986 CG HIS A 63 12.854 -1.789 2.047 1.00 0.06 C ATOM 987 ND1 HIS A 63 13.753 -2.819 1.821 1.00 0.22 N ATOM 988 CD2 HIS A 63 11.629 -2.266 1.650 1.00 0.17 C ATOM 989 CE1 HIS A 63 13.062 -3.856 1.312 1.00 0.27 C ATOM 990 NE2 HIS A 63 11.763 -3.572 1.186 1.00 0.27 N ATOM 0 H HIS A 63 12.554 -1.878 4.546 1.00 0.28 H new ATOM 0 HA HIS A 63 15.067 -1.257 3.525 1.00 0.20 H new ATOM 0 HB2 HIS A 63 12.404 0.115 2.909 1.00 0.14 H new ATOM 0 HB3 HIS A 63 13.809 0.115 1.863 1.00 0.14 H new ATOM 0 HD2 HIS A 63 10.703 -1.712 1.691 1.00 0.17 H new ATOM 0 HE1 HIS A 63 13.504 -4.803 1.039 1.00 0.27 H new ATOM 0 HE2 HIS A 63 11.027 -4.181 0.827 1.00 0.27 H new ATOM 998 N GLU A 64 13.695 1.363 5.015 1.00 0.25 N ATOM 999 CA GLU A 64 14.050 2.685 5.604 1.00 0.30 C ATOM 1000 C GLU A 64 15.332 2.551 6.428 1.00 0.33 C ATOM 1001 O GLU A 64 16.098 3.485 6.557 1.00 0.34 O ATOM 1002 CB GLU A 64 12.911 3.163 6.507 1.00 0.37 C ATOM 1003 CG GLU A 64 13.339 4.436 7.239 1.00 0.44 C ATOM 1004 CD GLU A 64 12.098 5.193 7.717 1.00 0.80 C ATOM 1005 OE1 GLU A 64 11.033 4.599 7.725 1.00 2.03 O ATOM 1006 OE2 GLU A 64 12.236 6.354 8.067 1.00 1.46 O ATOM 0 H GLU A 64 12.719 1.088 5.122 1.00 0.25 H new ATOM 0 HA GLU A 64 14.208 3.408 4.804 1.00 0.30 H new ATOM 0 HB2 GLU A 64 12.018 3.356 5.912 1.00 0.37 H new ATOM 0 HB3 GLU A 64 12.653 2.386 7.227 1.00 0.37 H new ATOM 0 HG2 GLU A 64 13.973 4.184 8.089 1.00 0.44 H new ATOM 0 HG3 GLU A 64 13.930 5.068 6.576 1.00 0.44 H new ATOM 1013 N LYS A 65 15.571 1.397 6.987 1.00 0.36 N ATOM 1014 CA LYS A 65 16.804 1.206 7.802 1.00 0.40 C ATOM 1015 C LYS A 65 17.940 0.718 6.900 1.00 0.40 C ATOM 1016 O LYS A 65 19.103 0.866 7.216 1.00 0.55 O ATOM 1017 CB LYS A 65 16.538 0.167 8.893 1.00 0.41 C ATOM 1018 CG LYS A 65 15.961 0.862 10.128 1.00 0.53 C ATOM 1019 CD LYS A 65 15.392 -0.187 11.086 1.00 1.11 C ATOM 1020 CE LYS A 65 14.776 0.511 12.301 1.00 0.94 C ATOM 1021 NZ LYS A 65 15.300 -0.112 13.550 1.00 2.05 N ATOM 0 H LYS A 65 14.967 0.579 6.915 1.00 0.36 H new ATOM 0 HA LYS A 65 17.086 2.153 8.263 1.00 0.40 H new ATOM 0 HB2 LYS A 65 15.842 -0.588 8.529 1.00 0.41 H new ATOM 0 HB3 LYS A 65 17.462 -0.350 9.152 1.00 0.41 H new ATOM 0 HG2 LYS A 65 16.737 1.443 10.627 1.00 0.53 H new ATOM 0 HG3 LYS A 65 15.179 1.562 9.832 1.00 0.53 H new ATOM 0 HD2 LYS A 65 14.638 -0.788 10.578 1.00 1.11 H new ATOM 0 HD3 LYS A 65 16.180 -0.868 11.406 1.00 1.11 H new ATOM 0 HE2 LYS A 65 15.016 1.574 12.284 1.00 0.94 H new ATOM 0 HE3 LYS A 65 13.690 0.429 12.269 1.00 0.94 H new ATOM 0 HZ1 LYS A 65 14.882 0.362 14.376 1.00 2.05 H new ATOM 0 HZ2 LYS A 65 15.049 -1.121 13.566 1.00 2.05 H new ATOM 0 HZ3 LYS A 65 16.335 -0.012 13.580 1.00 2.05 H new ATOM 1035 N ASP A 66 17.612 0.138 5.777 1.00 0.24 N ATOM 1036 CA ASP A 66 18.674 -0.357 4.856 1.00 0.24 C ATOM 1037 C ASP A 66 19.141 0.789 3.956 1.00 0.23 C ATOM 1038 O ASP A 66 18.401 1.709 3.672 1.00 0.16 O ATOM 1039 CB ASP A 66 18.114 -1.489 3.993 1.00 0.24 C ATOM 1040 CG ASP A 66 19.259 -2.391 3.528 1.00 0.52 C ATOM 1041 OD1 ASP A 66 20.321 -1.866 3.241 1.00 1.53 O ATOM 1042 OD2 ASP A 66 19.052 -3.592 3.467 1.00 1.04 O ATOM 0 H ASP A 66 16.655 -0.014 5.458 1.00 0.24 H new ATOM 0 HA ASP A 66 19.517 -0.729 5.438 1.00 0.24 H new ATOM 0 HB2 ASP A 66 17.388 -2.069 4.562 1.00 0.24 H new ATOM 0 HB3 ASP A 66 17.588 -1.078 3.131 1.00 0.24 H new ATOM 1047 N THR A 67 20.365 0.741 3.504 1.00 0.34 N ATOM 1048 CA THR A 67 20.879 1.828 2.624 1.00 0.34 C ATOM 1049 C THR A 67 20.678 1.437 1.158 1.00 0.33 C ATOM 1050 O THR A 67 21.563 1.588 0.340 1.00 0.39 O ATOM 1051 CB THR A 67 22.370 2.040 2.895 1.00 0.40 C ATOM 1052 OG1 THR A 67 22.920 2.871 1.883 1.00 1.60 O ATOM 1053 CG2 THR A 67 23.089 0.689 2.895 1.00 2.30 C ATOM 0 H THR A 67 21.031 -0.005 3.707 1.00 0.34 H new ATOM 0 HA THR A 67 20.336 2.750 2.831 1.00 0.34 H new ATOM 0 HB THR A 67 22.498 2.517 3.867 1.00 0.40 H new ATOM 0 HG1 THR A 67 22.851 2.420 1.016 1.00 1.60 H new ATOM 0 HG21 THR A 67 24.151 0.842 3.088 1.00 2.30 H new ATOM 0 HG22 THR A 67 22.667 0.052 3.672 1.00 2.30 H new ATOM 0 HG23 THR A 67 22.962 0.209 1.924 1.00 2.30 H new ATOM 1061 N ARG A 68 19.520 0.937 0.821 1.00 0.28 N ATOM 1062 CA ARG A 68 19.259 0.537 -0.591 1.00 0.31 C ATOM 1063 C ARG A 68 18.544 1.675 -1.321 1.00 0.25 C ATOM 1064 O ARG A 68 18.999 2.154 -2.341 1.00 0.29 O ATOM 1065 CB ARG A 68 18.378 -0.713 -0.610 1.00 0.34 C ATOM 1066 CG ARG A 68 19.141 -1.885 0.013 1.00 0.31 C ATOM 1067 CD ARG A 68 18.246 -3.124 0.035 1.00 1.69 C ATOM 1068 NE ARG A 68 18.816 -4.132 0.973 1.00 2.54 N ATOM 1069 CZ ARG A 68 18.083 -5.133 1.380 1.00 3.99 C ATOM 1070 NH1 ARG A 68 16.852 -5.251 0.966 1.00 4.72 N ATOM 1071 NH2 ARG A 68 18.584 -6.014 2.202 1.00 4.85 N ATOM 0 H ARG A 68 18.742 0.788 1.464 1.00 0.28 H new ATOM 0 HA ARG A 68 20.205 0.325 -1.089 1.00 0.31 H new ATOM 0 HB2 ARG A 68 17.457 -0.530 -0.057 1.00 0.34 H new ATOM 0 HB3 ARG A 68 18.093 -0.954 -1.634 1.00 0.34 H new ATOM 0 HG2 ARG A 68 20.047 -2.088 -0.559 1.00 0.31 H new ATOM 0 HG3 ARG A 68 19.454 -1.632 1.026 1.00 0.31 H new ATOM 0 HD2 ARG A 68 17.237 -2.852 0.346 1.00 1.69 H new ATOM 0 HD3 ARG A 68 18.168 -3.547 -0.967 1.00 1.69 H new ATOM 0 HE ARG A 68 19.779 -4.040 1.297 1.00 2.54 H new ATOM 0 HH11 ARG A 68 16.462 -4.561 0.324 1.00 4.72 H new ATOM 0 HH12 ARG A 68 16.280 -6.033 1.284 1.00 4.72 H new ATOM 0 HH21 ARG A 68 19.547 -5.920 2.526 1.00 4.85 H new ATOM 0 HH22 ARG A 68 18.013 -6.797 2.521 1.00 4.85 H new ATOM 1085 N CYS A 69 17.426 2.112 -0.809 1.00 0.16 N ATOM 1086 CA CYS A 69 16.680 3.218 -1.474 1.00 0.13 C ATOM 1087 C CYS A 69 17.188 4.564 -0.951 1.00 0.06 C ATOM 1088 O CYS A 69 16.559 5.587 -1.129 1.00 0.19 O ATOM 1089 CB CYS A 69 15.188 3.079 -1.169 1.00 0.16 C ATOM 1090 SG CYS A 69 14.686 1.356 -1.405 1.00 0.20 S ATOM 0 H CYS A 69 16.996 1.750 0.042 1.00 0.16 H new ATOM 0 HA CYS A 69 16.836 3.167 -2.552 1.00 0.13 H new ATOM 0 HB2 CYS A 69 14.984 3.392 -0.145 1.00 0.16 H new ATOM 0 HB3 CYS A 69 14.609 3.731 -1.823 1.00 0.16 H new ATOM 1095 N LEU A 70 18.325 4.570 -0.310 1.00 0.11 N ATOM 1096 CA LEU A 70 18.874 5.851 0.221 1.00 0.15 C ATOM 1097 C LEU A 70 19.813 6.468 -0.818 1.00 0.15 C ATOM 1098 O LEU A 70 19.721 7.637 -1.135 1.00 0.13 O ATOM 1099 CB LEU A 70 19.653 5.576 1.512 1.00 0.26 C ATOM 1100 CG LEU A 70 18.692 5.561 2.707 1.00 0.19 C ATOM 1101 CD1 LEU A 70 19.430 5.053 3.948 1.00 0.28 C ATOM 1102 CD2 LEU A 70 18.161 6.976 2.983 1.00 0.51 C ATOM 0 H LEU A 70 18.897 3.745 -0.131 1.00 0.11 H new ATOM 0 HA LEU A 70 18.056 6.540 0.430 1.00 0.15 H new ATOM 0 HB2 LEU A 70 20.171 4.620 1.438 1.00 0.26 H new ATOM 0 HB3 LEU A 70 20.416 6.341 1.657 1.00 0.26 H new ATOM 0 HG LEU A 70 17.854 4.903 2.475 1.00 0.19 H new ATOM 0 HD11 LEU A 70 18.748 5.042 4.798 1.00 0.28 H new ATOM 0 HD12 LEU A 70 19.798 4.043 3.765 1.00 0.28 H new ATOM 0 HD13 LEU A 70 20.271 5.711 4.166 1.00 0.28 H new ATOM 0 HD21 LEU A 70 17.480 6.950 3.834 1.00 0.51 H new ATOM 0 HD22 LEU A 70 18.996 7.641 3.207 1.00 0.51 H new ATOM 0 HD23 LEU A 70 17.630 7.343 2.105 1.00 0.51 H new ATOM 1114 N GLY A 71 20.715 5.690 -1.351 1.00 0.27 N ATOM 1115 CA GLY A 71 21.659 6.232 -2.371 1.00 0.30 C ATOM 1116 C GLY A 71 22.715 7.097 -1.681 1.00 0.31 C ATOM 1117 O GLY A 71 23.131 6.820 -0.574 1.00 0.40 O ATOM 0 H GLY A 71 20.840 4.703 -1.125 1.00 0.27 H new ATOM 0 HA2 GLY A 71 22.138 5.414 -2.909 1.00 0.30 H new ATOM 0 HA3 GLY A 71 21.115 6.823 -3.108 1.00 0.30 H new ATOM 1121 N ALA A 72 23.152 8.142 -2.329 1.00 0.27 N ATOM 1122 CA ALA A 72 24.183 9.025 -1.712 1.00 0.26 C ATOM 1123 C ALA A 72 23.944 10.470 -2.153 1.00 0.22 C ATOM 1124 O ALA A 72 24.157 11.402 -1.404 1.00 0.16 O ATOM 1125 CB ALA A 72 25.574 8.578 -2.163 1.00 0.29 C ATOM 0 H ALA A 72 22.840 8.423 -3.259 1.00 0.27 H new ATOM 0 HA ALA A 72 24.115 8.959 -0.626 1.00 0.26 H new ATOM 0 HB1 ALA A 72 26.328 9.224 -1.712 1.00 0.29 H new ATOM 0 HB2 ALA A 72 25.744 7.548 -1.850 1.00 0.29 H new ATOM 0 HB3 ALA A 72 25.643 8.644 -3.249 1.00 0.29 H new ATOM 1131 N THR A 73 23.501 10.665 -3.365 1.00 0.33 N ATOM 1132 CA THR A 73 23.248 12.050 -3.854 1.00 0.32 C ATOM 1133 C THR A 73 22.344 12.783 -2.860 1.00 0.30 C ATOM 1134 O THR A 73 21.784 12.188 -1.961 1.00 0.29 O ATOM 1135 CB THR A 73 22.564 11.991 -5.220 1.00 0.31 C ATOM 1136 OG1 THR A 73 21.304 11.346 -5.091 1.00 0.77 O ATOM 1137 CG2 THR A 73 23.440 11.210 -6.200 1.00 1.05 C ATOM 0 H THR A 73 23.303 9.925 -4.038 1.00 0.33 H new ATOM 0 HA THR A 73 24.194 12.583 -3.946 1.00 0.32 H new ATOM 0 HB THR A 73 22.418 13.004 -5.595 1.00 0.31 H new ATOM 0 HG1 THR A 73 21.010 11.024 -5.969 1.00 0.77 H new ATOM 0 HG21 THR A 73 22.950 11.169 -7.173 1.00 1.05 H new ATOM 0 HG22 THR A 73 24.405 11.706 -6.300 1.00 1.05 H new ATOM 0 HG23 THR A 73 23.590 10.197 -5.827 1.00 1.05 H new ATOM 1145 N ALA A 74 22.197 14.070 -3.015 1.00 0.30 N ATOM 1146 CA ALA A 74 21.329 14.839 -2.079 1.00 0.27 C ATOM 1147 C ALA A 74 19.898 14.870 -2.619 1.00 0.23 C ATOM 1148 O ALA A 74 18.982 15.307 -1.951 1.00 0.39 O ATOM 1149 CB ALA A 74 21.858 16.269 -1.952 1.00 0.28 C ATOM 0 H ALA A 74 22.640 14.622 -3.749 1.00 0.30 H new ATOM 0 HA ALA A 74 21.337 14.360 -1.100 1.00 0.27 H new ATOM 0 HB1 ALA A 74 21.224 16.832 -1.268 1.00 0.28 H new ATOM 0 HB2 ALA A 74 22.877 16.247 -1.567 1.00 0.28 H new ATOM 0 HB3 ALA A 74 21.850 16.748 -2.931 1.00 0.28 H new ATOM 1155 N GLN A 75 19.696 14.412 -3.824 1.00 0.46 N ATOM 1156 CA GLN A 75 18.323 14.417 -4.403 1.00 0.48 C ATOM 1157 C GLN A 75 17.615 13.107 -4.051 1.00 0.46 C ATOM 1158 O GLN A 75 16.441 13.089 -3.741 1.00 0.45 O ATOM 1159 CB GLN A 75 18.411 14.559 -5.925 1.00 0.55 C ATOM 1160 CG GLN A 75 18.872 13.235 -6.537 1.00 0.84 C ATOM 1161 CD GLN A 75 19.380 13.478 -7.959 1.00 1.11 C ATOM 1162 OE1 GLN A 75 19.499 14.609 -8.389 1.00 0.93 O ATOM 1163 NE2 GLN A 75 19.684 12.458 -8.714 1.00 2.21 N ATOM 0 H GLN A 75 20.422 14.035 -4.433 1.00 0.46 H new ATOM 0 HA GLN A 75 17.759 15.255 -3.993 1.00 0.48 H new ATOM 0 HB2 GLN A 75 17.439 14.840 -6.331 1.00 0.55 H new ATOM 0 HB3 GLN A 75 19.108 15.355 -6.187 1.00 0.55 H new ATOM 0 HG2 GLN A 75 19.662 12.796 -5.928 1.00 0.84 H new ATOM 0 HG3 GLN A 75 18.047 12.522 -6.551 1.00 0.84 H new ATOM 0 HE21 GLN A 75 19.584 11.509 -8.354 1.00 2.21 H new ATOM 0 HE22 GLN A 75 20.021 12.610 -9.665 1.00 2.21 H new ATOM 1172 N GLN A 76 18.320 12.010 -4.096 1.00 0.48 N ATOM 1173 CA GLN A 76 17.685 10.703 -3.763 1.00 0.47 C ATOM 1174 C GLN A 76 17.479 10.610 -2.250 1.00 0.44 C ATOM 1175 O GLN A 76 16.565 9.964 -1.777 1.00 0.43 O ATOM 1176 CB GLN A 76 18.592 9.561 -4.226 1.00 0.49 C ATOM 1177 CG GLN A 76 18.137 9.073 -5.602 1.00 1.06 C ATOM 1178 CD GLN A 76 19.097 7.994 -6.105 1.00 1.41 C ATOM 1179 OE1 GLN A 76 20.223 8.283 -6.459 1.00 2.30 O ATOM 1180 NE2 GLN A 76 18.698 6.752 -6.153 1.00 1.41 N ATOM 0 H GLN A 76 19.307 11.962 -4.349 1.00 0.48 H new ATOM 0 HA GLN A 76 16.722 10.627 -4.268 1.00 0.47 H new ATOM 0 HB2 GLN A 76 19.627 9.901 -4.273 1.00 0.49 H new ATOM 0 HB3 GLN A 76 18.558 8.741 -3.508 1.00 0.49 H new ATOM 0 HG2 GLN A 76 17.124 8.674 -5.541 1.00 1.06 H new ATOM 0 HG3 GLN A 76 18.110 9.906 -6.304 1.00 1.06 H new ATOM 0 HE21 GLN A 76 17.753 6.508 -5.856 1.00 1.41 H new ATOM 0 HE22 GLN A 76 19.331 6.026 -6.487 1.00 1.41 H new ATOM 1189 N PHE A 77 18.322 11.250 -1.488 1.00 0.45 N ATOM 1190 CA PHE A 77 18.174 11.198 -0.006 1.00 0.45 C ATOM 1191 C PHE A 77 16.832 11.815 0.394 1.00 0.45 C ATOM 1192 O PHE A 77 16.083 11.249 1.164 1.00 0.48 O ATOM 1193 CB PHE A 77 19.312 11.985 0.648 1.00 0.50 C ATOM 1194 CG PHE A 77 19.211 11.865 2.149 1.00 0.59 C ATOM 1195 CD1 PHE A 77 19.579 10.672 2.782 1.00 0.61 C ATOM 1196 CD2 PHE A 77 18.749 12.946 2.908 1.00 0.69 C ATOM 1197 CE1 PHE A 77 19.485 10.560 4.174 1.00 0.69 C ATOM 1198 CE2 PHE A 77 18.655 12.835 4.300 1.00 0.79 C ATOM 1199 CZ PHE A 77 19.023 11.642 4.934 1.00 0.79 C ATOM 0 H PHE A 77 19.107 11.807 -1.827 1.00 0.45 H new ATOM 0 HA PHE A 77 18.211 10.161 0.327 1.00 0.45 H new ATOM 0 HB2 PHE A 77 20.275 11.604 0.306 1.00 0.50 H new ATOM 0 HB3 PHE A 77 19.260 13.033 0.352 1.00 0.50 H new ATOM 0 HD1 PHE A 77 19.936 9.838 2.196 1.00 0.61 H new ATOM 0 HD2 PHE A 77 18.465 13.866 2.419 1.00 0.69 H new ATOM 0 HE1 PHE A 77 19.769 9.639 4.662 1.00 0.69 H new ATOM 0 HE2 PHE A 77 18.299 13.670 4.885 1.00 0.79 H new ATOM 0 HZ PHE A 77 18.951 11.556 6.008 1.00 0.79 H new ATOM 1209 N HIS A 78 16.524 12.972 -0.124 1.00 0.44 N ATOM 1210 CA HIS A 78 15.231 13.624 0.227 1.00 0.45 C ATOM 1211 C HIS A 78 14.084 12.888 -0.467 1.00 0.43 C ATOM 1212 O HIS A 78 13.146 12.443 0.166 1.00 0.51 O ATOM 1213 CB HIS A 78 15.254 15.083 -0.235 1.00 0.45 C ATOM 1214 CG HIS A 78 13.925 15.724 0.058 1.00 0.42 C ATOM 1215 ND1 HIS A 78 13.554 16.941 -0.493 1.00 0.79 N ATOM 1216 CD2 HIS A 78 12.870 15.331 0.843 1.00 0.44 C ATOM 1217 CE1 HIS A 78 12.323 17.234 -0.036 1.00 1.00 C ATOM 1218 NE2 HIS A 78 11.860 16.284 0.781 1.00 0.68 N ATOM 0 H HIS A 78 17.111 13.494 -0.775 1.00 0.44 H new ATOM 0 HA HIS A 78 15.086 13.587 1.307 1.00 0.45 H new ATOM 0 HB2 HIS A 78 16.051 15.624 0.275 1.00 0.45 H new ATOM 0 HB3 HIS A 78 15.467 15.134 -1.303 1.00 0.45 H new ATOM 0 HD2 HIS A 78 12.831 14.420 1.421 1.00 0.44 H new ATOM 0 HE1 HIS A 78 11.776 18.128 -0.298 1.00 1.00 H new ATOM 0 HE2 HIS A 78 10.958 16.263 1.257 1.00 0.68 H new ATOM 1226 N ARG A 79 14.149 12.755 -1.763 1.00 0.33 N ATOM 1227 CA ARG A 79 13.061 12.047 -2.495 1.00 0.34 C ATOM 1228 C ARG A 79 12.743 10.729 -1.786 1.00 0.37 C ATOM 1229 O ARG A 79 11.663 10.187 -1.918 1.00 0.39 O ATOM 1230 CB ARG A 79 13.515 11.758 -3.928 1.00 0.33 C ATOM 1231 CG ARG A 79 12.295 11.712 -4.850 1.00 0.56 C ATOM 1232 CD ARG A 79 12.616 10.862 -6.081 1.00 1.00 C ATOM 1233 NE ARG A 79 13.782 11.447 -6.799 1.00 1.51 N ATOM 1234 CZ ARG A 79 14.418 10.742 -7.694 1.00 2.24 C ATOM 1235 NH1 ARG A 79 14.034 9.524 -7.959 1.00 2.36 N ATOM 1236 NH2 ARG A 79 15.440 11.256 -8.324 1.00 3.13 N ATOM 0 H ARG A 79 14.908 13.106 -2.347 1.00 0.33 H new ATOM 0 HA ARG A 79 12.169 12.673 -2.515 1.00 0.34 H new ATOM 0 HB2 ARG A 79 14.209 12.529 -4.263 1.00 0.33 H new ATOM 0 HB3 ARG A 79 14.050 10.809 -3.967 1.00 0.33 H new ATOM 0 HG2 ARG A 79 11.440 11.293 -4.319 1.00 0.56 H new ATOM 0 HG3 ARG A 79 12.018 12.721 -5.154 1.00 0.56 H new ATOM 0 HD2 ARG A 79 12.837 9.838 -5.781 1.00 1.00 H new ATOM 0 HD3 ARG A 79 11.751 10.821 -6.743 1.00 1.00 H new ATOM 0 HE ARG A 79 14.084 12.399 -6.591 1.00 1.51 H new ATOM 0 HH11 ARG A 79 13.236 9.122 -7.467 1.00 2.36 H new ATOM 0 HH12 ARG A 79 14.531 8.973 -8.659 1.00 2.36 H new ATOM 0 HH21 ARG A 79 15.741 12.208 -8.116 1.00 3.13 H new ATOM 0 HH22 ARG A 79 15.937 10.705 -9.024 1.00 3.13 H new ATOM 1250 N HIS A 80 13.675 10.209 -1.035 1.00 0.37 N ATOM 1251 CA HIS A 80 13.425 8.927 -0.318 1.00 0.41 C ATOM 1252 C HIS A 80 12.625 9.202 0.956 1.00 0.44 C ATOM 1253 O HIS A 80 11.565 8.645 1.169 1.00 0.43 O ATOM 1254 CB HIS A 80 14.761 8.278 0.049 1.00 0.38 C ATOM 1255 CG HIS A 80 14.528 7.184 1.052 1.00 0.44 C ATOM 1256 ND1 HIS A 80 14.288 5.872 0.674 1.00 0.55 N ATOM 1257 CD2 HIS A 80 14.496 7.188 2.425 1.00 0.43 C ATOM 1258 CE1 HIS A 80 14.123 5.149 1.796 1.00 0.58 C ATOM 1259 NE2 HIS A 80 14.241 5.904 2.893 1.00 0.52 N ATOM 0 H HIS A 80 14.598 10.616 -0.887 1.00 0.37 H new ATOM 0 HA HIS A 80 12.860 8.255 -0.964 1.00 0.41 H new ATOM 0 HB2 HIS A 80 15.238 7.872 -0.843 1.00 0.38 H new ATOM 0 HB3 HIS A 80 15.439 9.025 0.461 1.00 0.38 H new ATOM 0 HD2 HIS A 80 14.646 8.058 3.047 1.00 0.43 H new ATOM 0 HE1 HIS A 80 13.920 4.088 1.809 1.00 0.58 H new ATOM 0 HE2 HIS A 80 14.161 5.603 3.864 1.00 0.52 H new ATOM 1267 N LYS A 81 13.122 10.057 1.808 1.00 0.51 N ATOM 1268 CA LYS A 81 12.389 10.367 3.068 1.00 0.55 C ATOM 1269 C LYS A 81 10.931 10.696 2.743 1.00 0.59 C ATOM 1270 O LYS A 81 10.018 10.224 3.391 1.00 0.63 O ATOM 1271 CB LYS A 81 13.042 11.567 3.756 1.00 0.60 C ATOM 1272 CG LYS A 81 14.304 11.111 4.491 1.00 0.67 C ATOM 1273 CD LYS A 81 13.962 10.800 5.950 1.00 1.15 C ATOM 1274 CE LYS A 81 15.205 10.266 6.663 1.00 1.42 C ATOM 1275 NZ LYS A 81 14.881 10.001 8.093 1.00 2.17 N ATOM 0 H LYS A 81 14.004 10.554 1.686 1.00 0.51 H new ATOM 0 HA LYS A 81 12.427 9.503 3.732 1.00 0.55 H new ATOM 0 HB2 LYS A 81 13.293 12.330 3.019 1.00 0.60 H new ATOM 0 HB3 LYS A 81 12.343 12.021 4.459 1.00 0.60 H new ATOM 0 HG2 LYS A 81 14.720 10.227 4.008 1.00 0.67 H new ATOM 0 HG3 LYS A 81 15.066 11.889 4.443 1.00 0.67 H new ATOM 0 HD2 LYS A 81 13.601 11.699 6.450 1.00 1.15 H new ATOM 0 HD3 LYS A 81 13.159 10.065 5.998 1.00 1.15 H new ATOM 0 HE2 LYS A 81 15.549 9.351 6.181 1.00 1.42 H new ATOM 0 HE3 LYS A 81 16.018 10.989 6.591 1.00 1.42 H new ATOM 0 HZ1 LYS A 81 15.726 9.638 8.579 1.00 2.17 H new ATOM 0 HZ2 LYS A 81 14.572 10.884 8.548 1.00 2.17 H new ATOM 0 HZ3 LYS A 81 14.118 9.296 8.151 1.00 2.17 H new ATOM 1289 N GLN A 82 10.704 11.503 1.742 1.00 0.58 N ATOM 1290 CA GLN A 82 9.305 11.861 1.377 1.00 0.62 C ATOM 1291 C GLN A 82 8.509 10.586 1.091 1.00 0.58 C ATOM 1292 O GLN A 82 7.378 10.442 1.510 1.00 0.62 O ATOM 1293 CB GLN A 82 9.315 12.747 0.129 1.00 0.64 C ATOM 1294 CG GLN A 82 7.883 12.928 -0.380 1.00 0.58 C ATOM 1295 CD GLN A 82 7.700 14.357 -0.894 1.00 0.51 C ATOM 1296 OE1 GLN A 82 7.298 14.563 -2.022 1.00 0.64 O ATOM 1297 NE2 GLN A 82 7.980 15.361 -0.108 1.00 1.57 N ATOM 0 H GLN A 82 11.427 11.929 1.162 1.00 0.58 H new ATOM 0 HA GLN A 82 8.841 12.400 2.203 1.00 0.62 H new ATOM 0 HB2 GLN A 82 9.755 13.717 0.362 1.00 0.64 H new ATOM 0 HB3 GLN A 82 9.933 12.295 -0.646 1.00 0.64 H new ATOM 0 HG2 GLN A 82 7.676 12.214 -1.178 1.00 0.58 H new ATOM 0 HG3 GLN A 82 7.173 12.725 0.421 1.00 0.58 H new ATOM 0 HE21 GLN A 82 8.317 15.189 0.839 1.00 1.57 H new ATOM 0 HE22 GLN A 82 7.861 16.318 -0.441 1.00 1.57 H new ATOM 1306 N LEU A 83 9.091 9.661 0.378 1.00 0.51 N ATOM 1307 CA LEU A 83 8.367 8.396 0.066 1.00 0.48 C ATOM 1308 C LEU A 83 7.931 7.728 1.372 1.00 0.47 C ATOM 1309 O LEU A 83 6.763 7.480 1.596 1.00 0.49 O ATOM 1310 CB LEU A 83 9.297 7.456 -0.707 1.00 0.42 C ATOM 1311 CG LEU A 83 8.466 6.497 -1.562 1.00 0.41 C ATOM 1312 CD1 LEU A 83 9.401 5.569 -2.342 1.00 0.38 C ATOM 1313 CD2 LEU A 83 7.558 5.659 -0.661 1.00 0.42 C ATOM 0 H LEU A 83 10.035 9.726 -0.002 1.00 0.51 H new ATOM 0 HA LEU A 83 7.488 8.615 -0.541 1.00 0.48 H new ATOM 0 HB2 LEU A 83 9.969 8.034 -1.341 1.00 0.42 H new ATOM 0 HB3 LEU A 83 9.920 6.893 -0.012 1.00 0.42 H new ATOM 0 HG LEU A 83 7.855 7.072 -2.258 1.00 0.41 H new ATOM 0 HD11 LEU A 83 8.810 4.885 -2.951 1.00 0.38 H new ATOM 0 HD12 LEU A 83 10.048 6.163 -2.987 1.00 0.38 H new ATOM 0 HD13 LEU A 83 10.012 4.997 -1.643 1.00 0.38 H new ATOM 0 HD21 LEU A 83 6.967 4.977 -1.273 1.00 0.42 H new ATOM 0 HD22 LEU A 83 8.168 5.085 0.037 1.00 0.42 H new ATOM 0 HD23 LEU A 83 6.891 6.317 -0.104 1.00 0.42 H new ATOM 1325 N ILE A 84 8.864 7.436 2.237 1.00 0.45 N ATOM 1326 CA ILE A 84 8.508 6.783 3.530 1.00 0.44 C ATOM 1327 C ILE A 84 7.317 7.510 4.160 1.00 0.46 C ATOM 1328 O ILE A 84 6.537 6.927 4.887 1.00 0.67 O ATOM 1329 CB ILE A 84 9.706 6.851 4.482 1.00 0.44 C ATOM 1330 CG1 ILE A 84 10.982 6.458 3.732 1.00 0.42 C ATOM 1331 CG2 ILE A 84 9.486 5.889 5.651 1.00 0.43 C ATOM 1332 CD1 ILE A 84 10.751 5.156 2.964 1.00 0.40 C ATOM 0 H ILE A 84 9.858 7.621 2.104 1.00 0.45 H new ATOM 0 HA ILE A 84 8.244 5.741 3.349 1.00 0.44 H new ATOM 0 HB ILE A 84 9.807 7.868 4.862 1.00 0.44 H new ATOM 0 HG12 ILE A 84 11.269 7.252 3.042 1.00 0.42 H new ATOM 0 HG13 ILE A 84 11.805 6.335 4.436 1.00 0.42 H new ATOM 0 HG21 ILE A 84 10.339 5.938 6.328 1.00 0.43 H new ATOM 0 HG22 ILE A 84 8.580 6.170 6.188 1.00 0.43 H new ATOM 0 HG23 ILE A 84 9.382 4.873 5.271 1.00 0.43 H new ATOM 0 HD11 ILE A 84 11.662 4.881 2.432 1.00 0.40 H new ATOM 0 HD12 ILE A 84 10.486 4.363 3.663 1.00 0.40 H new ATOM 0 HD13 ILE A 84 9.941 5.295 2.248 1.00 0.40 H new ATOM 1344 N ARG A 85 7.171 8.778 3.891 1.00 0.26 N ATOM 1345 CA ARG A 85 6.032 9.537 4.479 1.00 0.27 C ATOM 1346 C ARG A 85 4.722 9.075 3.838 1.00 0.28 C ATOM 1347 O ARG A 85 3.763 8.762 4.517 1.00 0.30 O ATOM 1348 CB ARG A 85 6.227 11.033 4.218 1.00 0.25 C ATOM 1349 CG ARG A 85 5.343 11.836 5.175 1.00 0.88 C ATOM 1350 CD ARG A 85 6.181 12.316 6.361 1.00 0.95 C ATOM 1351 NE ARG A 85 5.310 13.066 7.312 1.00 1.66 N ATOM 1352 CZ ARG A 85 5.727 13.311 8.524 1.00 2.20 C ATOM 1353 NH1 ARG A 85 6.906 12.900 8.904 1.00 2.67 N ATOM 1354 NH2 ARG A 85 4.966 13.967 9.355 1.00 2.80 N ATOM 0 H ARG A 85 7.791 9.321 3.290 1.00 0.26 H new ATOM 0 HA ARG A 85 5.993 9.356 5.553 1.00 0.27 H new ATOM 0 HB2 ARG A 85 7.273 11.304 4.358 1.00 0.25 H new ATOM 0 HB3 ARG A 85 5.972 11.269 3.185 1.00 0.25 H new ATOM 0 HG2 ARG A 85 4.907 12.689 4.655 1.00 0.88 H new ATOM 0 HG3 ARG A 85 4.515 11.220 5.526 1.00 0.88 H new ATOM 0 HD2 ARG A 85 6.640 11.465 6.865 1.00 0.95 H new ATOM 0 HD3 ARG A 85 6.992 12.955 6.012 1.00 0.95 H new ATOM 0 HE ARG A 85 4.389 13.387 7.015 1.00 1.66 H new ATOM 0 HH11 ARG A 85 7.501 12.387 8.254 1.00 2.67 H new ATOM 0 HH12 ARG A 85 7.232 13.092 9.851 1.00 2.67 H new ATOM 0 HH21 ARG A 85 4.045 14.289 9.058 1.00 2.80 H new ATOM 0 HH22 ARG A 85 5.292 14.159 10.302 1.00 2.80 H new ATOM 1368 N PHE A 86 4.670 9.031 2.535 1.00 0.28 N ATOM 1369 CA PHE A 86 3.420 8.592 1.853 1.00 0.29 C ATOM 1370 C PHE A 86 2.978 7.238 2.414 1.00 0.35 C ATOM 1371 O PHE A 86 1.831 7.046 2.764 1.00 0.34 O ATOM 1372 CB PHE A 86 3.678 8.460 0.351 1.00 0.29 C ATOM 1373 CG PHE A 86 3.534 9.813 -0.305 1.00 0.30 C ATOM 1374 CD1 PHE A 86 2.288 10.227 -0.790 1.00 0.21 C ATOM 1375 CD2 PHE A 86 4.647 10.653 -0.429 1.00 0.51 C ATOM 1376 CE1 PHE A 86 2.154 11.480 -1.399 1.00 0.35 C ATOM 1377 CE2 PHE A 86 4.513 11.907 -1.038 1.00 0.57 C ATOM 1378 CZ PHE A 86 3.267 12.320 -1.522 1.00 0.48 C ATOM 0 H PHE A 86 5.439 9.280 1.913 1.00 0.28 H new ATOM 0 HA PHE A 86 2.636 9.329 2.025 1.00 0.29 H new ATOM 0 HB2 PHE A 86 4.678 8.064 0.176 1.00 0.29 H new ATOM 0 HB3 PHE A 86 2.974 7.754 -0.089 1.00 0.29 H new ATOM 0 HD1 PHE A 86 1.429 9.579 -0.694 1.00 0.21 H new ATOM 0 HD2 PHE A 86 5.609 10.334 -0.055 1.00 0.51 H new ATOM 0 HE1 PHE A 86 1.193 11.799 -1.774 1.00 0.35 H new ATOM 0 HE2 PHE A 86 5.371 12.555 -1.134 1.00 0.57 H new ATOM 0 HZ PHE A 86 3.164 13.287 -1.991 1.00 0.48 H new ATOM 1388 N LEU A 87 3.877 6.298 2.502 1.00 0.42 N ATOM 1389 CA LEU A 87 3.503 4.959 3.039 1.00 0.48 C ATOM 1390 C LEU A 87 3.040 5.100 4.490 1.00 0.50 C ATOM 1391 O LEU A 87 1.937 4.728 4.839 1.00 0.58 O ATOM 1392 CB LEU A 87 4.716 4.028 2.979 1.00 0.50 C ATOM 1393 CG LEU A 87 5.332 4.083 1.580 1.00 0.57 C ATOM 1394 CD1 LEU A 87 6.524 3.128 1.508 1.00 0.57 C ATOM 1395 CD2 LEU A 87 4.284 3.666 0.546 1.00 0.55 C ATOM 0 H LEU A 87 4.854 6.398 2.226 1.00 0.42 H new ATOM 0 HA LEU A 87 2.694 4.542 2.439 1.00 0.48 H new ATOM 0 HB2 LEU A 87 5.453 4.325 3.725 1.00 0.50 H new ATOM 0 HB3 LEU A 87 4.417 3.007 3.216 1.00 0.50 H new ATOM 0 HG LEU A 87 5.667 5.099 1.371 1.00 0.57 H new ATOM 0 HD11 LEU A 87 6.962 3.168 0.511 1.00 0.57 H new ATOM 0 HD12 LEU A 87 7.271 3.423 2.245 1.00 0.57 H new ATOM 0 HD13 LEU A 87 6.189 2.112 1.717 1.00 0.57 H new ATOM 0 HD21 LEU A 87 4.722 3.705 -0.452 1.00 0.55 H new ATOM 0 HD22 LEU A 87 3.949 2.650 0.756 1.00 0.55 H new ATOM 0 HD23 LEU A 87 3.433 4.346 0.596 1.00 0.55 H new ATOM 1407 N LYS A 88 3.873 5.634 5.339 1.00 0.48 N ATOM 1408 CA LYS A 88 3.480 5.794 6.768 1.00 0.49 C ATOM 1409 C LYS A 88 2.103 6.457 6.852 1.00 0.50 C ATOM 1410 O LYS A 88 1.436 6.394 7.866 1.00 0.53 O ATOM 1411 CB LYS A 88 4.511 6.668 7.485 1.00 0.46 C ATOM 1412 CG LYS A 88 5.408 5.788 8.357 1.00 0.54 C ATOM 1413 CD LYS A 88 6.454 6.658 9.057 1.00 0.56 C ATOM 1414 CE LYS A 88 7.021 5.906 10.262 1.00 0.88 C ATOM 1415 NZ LYS A 88 8.439 6.309 10.478 1.00 1.60 N ATOM 0 H LYS A 88 4.809 5.967 5.106 1.00 0.48 H new ATOM 0 HA LYS A 88 3.439 4.814 7.243 1.00 0.49 H new ATOM 0 HB2 LYS A 88 5.113 7.210 6.756 1.00 0.46 H new ATOM 0 HB3 LYS A 88 4.007 7.414 8.100 1.00 0.46 H new ATOM 0 HG2 LYS A 88 4.807 5.258 9.096 1.00 0.54 H new ATOM 0 HG3 LYS A 88 5.900 5.032 7.745 1.00 0.54 H new ATOM 0 HD2 LYS A 88 7.255 6.911 8.363 1.00 0.56 H new ATOM 0 HD3 LYS A 88 6.004 7.597 9.380 1.00 0.56 H new ATOM 0 HE2 LYS A 88 6.430 6.125 11.151 1.00 0.88 H new ATOM 0 HE3 LYS A 88 6.959 4.831 10.095 1.00 0.88 H new ATOM 0 HZ1 LYS A 88 8.824 5.797 11.297 1.00 1.60 H new ATOM 0 HZ2 LYS A 88 8.998 6.079 9.632 1.00 1.60 H new ATOM 0 HZ3 LYS A 88 8.486 7.333 10.656 1.00 1.60 H new ATOM 1429 N ARG A 89 1.671 7.095 5.798 1.00 0.47 N ATOM 1430 CA ARG A 89 0.338 7.762 5.827 1.00 0.48 C ATOM 1431 C ARG A 89 -0.738 6.781 5.353 1.00 0.41 C ATOM 1432 O ARG A 89 -1.476 6.224 6.142 1.00 0.38 O ATOM 1433 CB ARG A 89 0.356 8.984 4.907 1.00 0.57 C ATOM 1434 CG ARG A 89 -1.001 9.688 4.963 1.00 0.41 C ATOM 1435 CD ARG A 89 -0.840 11.145 4.525 1.00 0.60 C ATOM 1436 NE ARG A 89 -0.342 11.956 5.671 1.00 1.55 N ATOM 1437 CZ ARG A 89 0.149 13.147 5.464 1.00 1.85 C ATOM 1438 NH1 ARG A 89 0.202 13.629 4.252 1.00 1.38 N ATOM 1439 NH2 ARG A 89 0.586 13.857 6.468 1.00 2.72 N ATOM 0 H ARG A 89 2.182 7.183 4.920 1.00 0.47 H new ATOM 0 HA ARG A 89 0.115 8.079 6.846 1.00 0.48 H new ATOM 0 HB2 ARG A 89 1.146 9.670 5.212 1.00 0.57 H new ATOM 0 HB3 ARG A 89 0.577 8.679 3.884 1.00 0.57 H new ATOM 0 HG2 ARG A 89 -1.713 9.179 4.314 1.00 0.41 H new ATOM 0 HG3 ARG A 89 -1.404 9.644 5.975 1.00 0.41 H new ATOM 0 HD2 ARG A 89 -0.143 11.210 3.690 1.00 0.60 H new ATOM 0 HD3 ARG A 89 -1.794 11.538 4.175 1.00 0.60 H new ATOM 0 HE ARG A 89 -0.385 11.580 6.618 1.00 1.55 H new ATOM 0 HH11 ARG A 89 -0.140 13.075 3.467 1.00 1.38 H new ATOM 0 HH12 ARG A 89 0.586 14.560 4.090 1.00 1.38 H new ATOM 0 HH21 ARG A 89 0.544 13.481 7.415 1.00 2.72 H new ATOM 0 HH22 ARG A 89 0.970 14.788 6.306 1.00 2.72 H new ATOM 1453 N LEU A 90 -0.836 6.566 4.069 1.00 0.45 N ATOM 1454 CA LEU A 90 -1.867 5.624 3.548 1.00 0.43 C ATOM 1455 C LEU A 90 -1.795 4.306 4.323 1.00 0.34 C ATOM 1456 O LEU A 90 -2.799 3.672 4.580 1.00 0.51 O ATOM 1457 CB LEU A 90 -1.617 5.359 2.061 1.00 0.48 C ATOM 1458 CG LEU A 90 -0.215 4.776 1.868 1.00 0.48 C ATOM 1459 CD1 LEU A 90 -0.317 3.272 1.606 1.00 0.44 C ATOM 1460 CD2 LEU A 90 0.458 5.455 0.673 1.00 0.58 C ATOM 0 H LEU A 90 -0.247 7.002 3.359 1.00 0.45 H new ATOM 0 HA LEU A 90 -2.856 6.065 3.675 1.00 0.43 H new ATOM 0 HB2 LEU A 90 -2.365 4.667 1.675 1.00 0.48 H new ATOM 0 HB3 LEU A 90 -1.717 6.285 1.495 1.00 0.48 H new ATOM 0 HG LEU A 90 0.376 4.948 2.767 1.00 0.48 H new ATOM 0 HD11 LEU A 90 0.682 2.858 1.469 1.00 0.44 H new ATOM 0 HD12 LEU A 90 -0.797 2.786 2.455 1.00 0.44 H new ATOM 0 HD13 LEU A 90 -0.908 3.099 0.707 1.00 0.44 H new ATOM 0 HD21 LEU A 90 1.457 5.041 0.534 1.00 0.58 H new ATOM 0 HD22 LEU A 90 -0.135 5.282 -0.225 1.00 0.58 H new ATOM 0 HD23 LEU A 90 0.532 6.527 0.858 1.00 0.58 H new ATOM 1472 N ASP A 91 -0.617 3.889 4.699 1.00 0.11 N ATOM 1473 CA ASP A 91 -0.487 2.613 5.457 1.00 0.09 C ATOM 1474 C ASP A 91 -1.454 2.625 6.642 1.00 0.05 C ATOM 1475 O ASP A 91 -2.045 1.620 6.983 1.00 0.09 O ATOM 1476 CB ASP A 91 0.947 2.467 5.971 1.00 0.11 C ATOM 1477 CG ASP A 91 1.061 1.194 6.810 1.00 0.42 C ATOM 1478 OD1 ASP A 91 0.468 0.199 6.426 1.00 1.57 O ATOM 1479 OD2 ASP A 91 1.742 1.234 7.823 1.00 0.78 O ATOM 0 H ASP A 91 0.260 4.376 4.514 1.00 0.11 H new ATOM 0 HA ASP A 91 -0.724 1.775 4.801 1.00 0.09 H new ATOM 0 HB2 ASP A 91 1.643 2.426 5.133 1.00 0.11 H new ATOM 0 HB3 ASP A 91 1.220 3.336 6.570 1.00 0.11 H new ATOM 1484 N ARG A 92 -1.620 3.755 7.273 1.00 0.04 N ATOM 1485 CA ARG A 92 -2.550 3.830 8.435 1.00 0.07 C ATOM 1486 C ARG A 92 -3.986 3.981 7.929 1.00 0.09 C ATOM 1487 O ARG A 92 -4.926 3.541 8.560 1.00 0.12 O ATOM 1488 CB ARG A 92 -2.185 5.036 9.303 1.00 0.13 C ATOM 1489 CG ARG A 92 -0.852 4.774 10.008 1.00 0.17 C ATOM 1490 CD ARG A 92 -1.095 4.586 11.507 1.00 0.52 C ATOM 1491 NE ARG A 92 0.195 4.273 12.183 1.00 1.08 N ATOM 1492 CZ ARG A 92 0.290 4.364 13.481 1.00 1.29 C ATOM 1493 NH1 ARG A 92 -0.745 4.729 14.187 1.00 1.40 N ATOM 1494 NH2 ARG A 92 1.420 4.089 14.074 1.00 2.10 N ATOM 0 H ARG A 92 -1.152 4.629 7.034 1.00 0.04 H new ATOM 0 HA ARG A 92 -2.467 2.918 9.027 1.00 0.07 H new ATOM 0 HB2 ARG A 92 -2.112 5.932 8.687 1.00 0.13 H new ATOM 0 HB3 ARG A 92 -2.968 5.218 10.039 1.00 0.13 H new ATOM 0 HG2 ARG A 92 -0.377 3.886 9.592 1.00 0.17 H new ATOM 0 HG3 ARG A 92 -0.170 5.608 9.841 1.00 0.17 H new ATOM 0 HD2 ARG A 92 -1.531 5.490 11.932 1.00 0.52 H new ATOM 0 HD3 ARG A 92 -1.810 3.780 11.672 1.00 0.52 H new ATOM 0 HE ARG A 92 1.004 3.988 11.631 1.00 1.08 H new ATOM 0 HH11 ARG A 92 -1.628 4.943 13.724 1.00 1.40 H new ATOM 0 HH12 ARG A 92 -0.671 4.800 15.202 1.00 1.40 H new ATOM 0 HH21 ARG A 92 2.229 3.803 13.523 1.00 2.10 H new ATOM 0 HH22 ARG A 92 1.494 4.160 15.089 1.00 2.10 H new ATOM 1508 N ASN A 93 -4.161 4.599 6.794 1.00 0.09 N ATOM 1509 CA ASN A 93 -5.535 4.778 6.248 1.00 0.13 C ATOM 1510 C ASN A 93 -6.183 3.408 6.040 1.00 0.14 C ATOM 1511 O ASN A 93 -7.277 3.151 6.502 1.00 0.20 O ATOM 1512 CB ASN A 93 -5.460 5.515 4.908 1.00 0.13 C ATOM 1513 CG ASN A 93 -4.854 6.903 5.122 1.00 0.17 C ATOM 1514 OD1 ASN A 93 -4.571 7.290 6.239 1.00 1.38 O ATOM 1515 ND2 ASN A 93 -4.639 7.674 4.091 1.00 1.27 N ATOM 0 H ASN A 93 -3.412 4.988 6.221 1.00 0.09 H new ATOM 0 HA ASN A 93 -6.132 5.360 6.950 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -4.854 4.947 4.202 1.00 0.13 H new ATOM 0 HB3 ASN A 93 -6.456 5.604 4.474 1.00 0.13 H new ATOM 0 HD21 ASN A 93 -4.234 8.601 4.223 1.00 1.27 H new ATOM 0 HD22 ASN A 93 -4.876 7.350 3.153 1.00 1.27 H new ATOM 1522 N LEU A 94 -5.516 2.524 5.349 1.00 0.12 N ATOM 1523 CA LEU A 94 -6.095 1.171 5.113 1.00 0.16 C ATOM 1524 C LEU A 94 -6.504 0.551 6.451 1.00 0.27 C ATOM 1525 O LEU A 94 -7.673 0.395 6.742 1.00 0.45 O ATOM 1526 CB LEU A 94 -5.051 0.280 4.437 1.00 0.16 C ATOM 1527 CG LEU A 94 -4.524 0.971 3.178 1.00 0.19 C ATOM 1528 CD1 LEU A 94 -3.471 0.085 2.510 1.00 0.20 C ATOM 1529 CD2 LEU A 94 -5.680 1.209 2.202 1.00 0.36 C ATOM 0 H LEU A 94 -4.596 2.680 4.938 1.00 0.12 H new ATOM 0 HA LEU A 94 -6.970 1.258 4.469 1.00 0.16 H new ATOM 0 HB2 LEU A 94 -4.229 0.079 5.125 1.00 0.16 H new ATOM 0 HB3 LEU A 94 -5.492 -0.682 4.178 1.00 0.16 H new ATOM 0 HG LEU A 94 -4.076 1.926 3.452 1.00 0.19 H new ATOM 0 HD11 LEU A 94 -3.096 0.578 1.613 1.00 0.20 H new ATOM 0 HD12 LEU A 94 -2.646 -0.085 3.202 1.00 0.20 H new ATOM 0 HD13 LEU A 94 -3.919 -0.871 2.238 1.00 0.20 H new ATOM 0 HD21 LEU A 94 -5.304 1.701 1.305 1.00 0.36 H new ATOM 0 HD22 LEU A 94 -6.129 0.254 1.930 1.00 0.36 H new ATOM 0 HD23 LEU A 94 -6.431 1.842 2.675 1.00 0.36 H new ATOM 1541 N TRP A 95 -5.549 0.197 7.267 1.00 0.23 N ATOM 1542 CA TRP A 95 -5.883 -0.412 8.586 1.00 0.33 C ATOM 1543 C TRP A 95 -6.968 0.420 9.272 1.00 0.39 C ATOM 1544 O TRP A 95 -7.644 -0.043 10.169 1.00 0.59 O ATOM 1545 CB TRP A 95 -4.632 -0.444 9.464 1.00 0.40 C ATOM 1546 CG TRP A 95 -4.998 -0.920 10.834 1.00 0.52 C ATOM 1547 CD1 TRP A 95 -5.337 -0.117 11.869 1.00 0.57 C ATOM 1548 CD2 TRP A 95 -5.065 -2.286 11.335 1.00 0.62 C ATOM 1549 NE1 TRP A 95 -5.609 -0.905 12.974 1.00 0.69 N ATOM 1550 CE2 TRP A 95 -5.456 -2.249 12.695 1.00 0.72 C ATOM 1551 CE3 TRP A 95 -4.828 -3.543 10.748 1.00 0.65 C ATOM 1552 CZ2 TRP A 95 -5.606 -3.415 13.445 1.00 0.83 C ATOM 1553 CZ3 TRP A 95 -4.978 -4.719 11.500 1.00 0.76 C ATOM 1554 CH2 TRP A 95 -5.367 -4.655 12.846 1.00 0.84 C ATOM 0 H TRP A 95 -4.552 0.303 7.078 1.00 0.23 H new ATOM 0 HA TRP A 95 -6.247 -1.429 8.435 1.00 0.33 H new ATOM 0 HB2 TRP A 95 -3.884 -1.104 9.026 1.00 0.40 H new ATOM 0 HB3 TRP A 95 -4.188 0.550 9.519 1.00 0.40 H new ATOM 0 HD1 TRP A 95 -5.387 0.961 11.838 1.00 0.57 H new ATOM 0 HE1 TRP A 95 -5.888 -0.538 13.884 1.00 0.69 H new ATOM 0 HE3 TRP A 95 -4.529 -3.603 9.712 1.00 0.65 H new ATOM 0 HZ2 TRP A 95 -5.905 -3.360 14.481 1.00 0.83 H new ATOM 0 HZ3 TRP A 95 -4.793 -5.678 11.040 1.00 0.76 H new ATOM 0 HH2 TRP A 95 -5.482 -5.563 13.419 1.00 0.84 H new ATOM 1565 N GLY A 96 -7.139 1.646 8.860 1.00 0.24 N ATOM 1566 CA GLY A 96 -8.180 2.506 9.491 1.00 0.31 C ATOM 1567 C GLY A 96 -9.568 2.032 9.058 1.00 0.43 C ATOM 1568 O GLY A 96 -10.429 1.772 9.875 1.00 0.71 O ATOM 0 H GLY A 96 -6.603 2.089 8.114 1.00 0.24 H new ATOM 0 HA2 GLY A 96 -8.092 2.463 10.577 1.00 0.31 H new ATOM 0 HA3 GLY A 96 -8.032 3.546 9.200 1.00 0.31 H new ATOM 1572 N LEU A 97 -9.794 1.915 7.778 1.00 0.35 N ATOM 1573 CA LEU A 97 -11.127 1.457 7.295 1.00 0.52 C ATOM 1574 C LEU A 97 -11.229 -0.062 7.458 1.00 0.62 C ATOM 1575 O LEU A 97 -12.304 -0.609 7.601 1.00 0.38 O ATOM 1576 CB LEU A 97 -11.295 1.861 5.819 1.00 0.59 C ATOM 1577 CG LEU A 97 -10.761 0.760 4.882 1.00 0.78 C ATOM 1578 CD1 LEU A 97 -11.796 -0.363 4.693 1.00 1.59 C ATOM 1579 CD2 LEU A 97 -10.444 1.379 3.519 1.00 0.61 C ATOM 0 H LEU A 97 -9.113 2.117 7.046 1.00 0.35 H new ATOM 0 HA LEU A 97 -11.921 1.923 7.878 1.00 0.52 H new ATOM 0 HB2 LEU A 97 -12.348 2.046 5.606 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -10.763 2.794 5.631 1.00 0.59 H new ATOM 0 HG LEU A 97 -9.865 0.330 5.330 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -11.389 -1.124 4.027 1.00 1.59 H new ATOM 0 HD12 LEU A 97 -12.026 -0.812 5.659 1.00 1.59 H new ATOM 0 HD13 LEU A 97 -12.706 0.050 4.259 1.00 1.59 H new ATOM 0 HD21 LEU A 97 -10.065 0.608 2.848 1.00 0.61 H new ATOM 0 HD22 LEU A 97 -11.350 1.814 3.097 1.00 0.61 H new ATOM 0 HD23 LEU A 97 -9.690 2.157 3.639 1.00 0.61 H new ATOM 1591 N ALA A 98 -10.119 -0.746 7.438 1.00 1.02 N ATOM 1592 CA ALA A 98 -10.153 -2.228 7.592 1.00 1.14 C ATOM 1593 C ALA A 98 -10.720 -2.585 8.967 1.00 1.19 C ATOM 1594 O ALA A 98 -11.566 -3.448 9.096 1.00 1.31 O ATOM 1595 CB ALA A 98 -8.735 -2.787 7.464 1.00 1.15 C ATOM 0 H ALA A 98 -9.189 -0.343 7.322 1.00 1.02 H new ATOM 0 HA ALA A 98 -10.785 -2.659 6.815 1.00 1.14 H new ATOM 0 HB1 ALA A 98 -8.760 -3.871 7.577 1.00 1.15 H new ATOM 0 HB2 ALA A 98 -8.331 -2.533 6.484 1.00 1.15 H new ATOM 0 HB3 ALA A 98 -8.103 -2.356 8.240 1.00 1.15 H new ATOM 1601 N GLY A 99 -10.262 -1.927 9.997 1.00 1.19 N ATOM 1602 CA GLY A 99 -10.776 -2.229 11.363 1.00 1.24 C ATOM 1603 C GLY A 99 -10.605 -3.721 11.654 1.00 1.30 C ATOM 1604 O GLY A 99 -11.488 -4.517 11.400 1.00 2.25 O ATOM 0 H GLY A 99 -9.554 -1.194 9.952 1.00 1.19 H new ATOM 0 HA2 GLY A 99 -10.237 -1.639 12.104 1.00 1.24 H new ATOM 0 HA3 GLY A 99 -11.827 -1.951 11.437 1.00 1.24 H new ATOM 1608 N LEU A 100 -9.477 -4.106 12.186 1.00 0.43 N ATOM 1609 CA LEU A 100 -9.247 -5.546 12.494 1.00 0.42 C ATOM 1610 C LEU A 100 -8.405 -5.665 13.766 1.00 0.54 C ATOM 1611 O LEU A 100 -7.831 -4.699 14.229 1.00 1.32 O ATOM 1612 CB LEU A 100 -8.506 -6.206 11.329 1.00 0.40 C ATOM 1613 CG LEU A 100 -9.510 -6.918 10.419 1.00 0.72 C ATOM 1614 CD1 LEU A 100 -8.888 -7.122 9.036 1.00 0.95 C ATOM 1615 CD2 LEU A 100 -9.869 -8.278 11.021 1.00 0.82 C ATOM 0 H LEU A 100 -8.703 -3.484 12.421 1.00 0.43 H new ATOM 0 HA LEU A 100 -10.205 -6.044 12.643 1.00 0.42 H new ATOM 0 HB2 LEU A 100 -7.956 -5.455 10.763 1.00 0.40 H new ATOM 0 HB3 LEU A 100 -7.774 -6.919 11.708 1.00 0.40 H new ATOM 0 HG LEU A 100 -10.411 -6.312 10.327 1.00 0.72 H new ATOM 0 HD11 LEU A 100 -9.602 -7.629 8.387 1.00 0.95 H new ATOM 0 HD12 LEU A 100 -8.631 -6.154 8.606 1.00 0.95 H new ATOM 0 HD13 LEU A 100 -7.987 -7.729 9.128 1.00 0.95 H new ATOM 0 HD21 LEU A 100 -10.584 -8.785 10.373 1.00 0.82 H new ATOM 0 HD22 LEU A 100 -8.968 -8.885 11.112 1.00 0.82 H new ATOM 0 HD23 LEU A 100 -10.311 -8.134 12.007 1.00 0.82 H new ATOM 1627 N ASN A 101 -8.333 -6.844 14.330 1.00 0.61 N ATOM 1628 CA ASN A 101 -7.531 -7.046 15.575 1.00 0.60 C ATOM 1629 C ASN A 101 -6.437 -8.082 15.313 1.00 0.39 C ATOM 1630 O ASN A 101 -5.277 -7.750 15.164 1.00 0.25 O ATOM 1631 CB ASN A 101 -8.449 -7.550 16.692 1.00 0.96 C ATOM 1632 CG ASN A 101 -9.161 -6.362 17.342 1.00 1.62 C ATOM 1633 OD1 ASN A 101 -8.525 -5.448 17.826 1.00 1.37 O ATOM 1634 ND2 ASN A 101 -10.466 -6.339 17.375 1.00 2.98 N ATOM 0 H ASN A 101 -8.799 -7.681 13.979 1.00 0.61 H new ATOM 0 HA ASN A 101 -7.075 -6.102 15.873 1.00 0.60 H new ATOM 0 HB2 ASN A 101 -9.181 -8.250 16.288 1.00 0.96 H new ATOM 0 HB3 ASN A 101 -7.868 -8.092 17.438 1.00 0.96 H new ATOM 0 HD21 ASN A 101 -10.951 -5.553 17.807 1.00 2.98 H new ATOM 0 HD22 ASN A 101 -11.000 -7.107 16.968 1.00 2.98 H new ATOM 1641 N SER A 102 -6.794 -9.335 15.256 1.00 0.44 N ATOM 1642 CA SER A 102 -5.773 -10.391 15.004 1.00 0.27 C ATOM 1643 C SER A 102 -5.641 -10.626 13.498 1.00 0.31 C ATOM 1644 O SER A 102 -6.614 -10.859 12.808 1.00 0.50 O ATOM 1645 CB SER A 102 -6.203 -11.690 15.686 1.00 0.30 C ATOM 1646 OG SER A 102 -6.863 -12.521 14.740 1.00 1.66 O ATOM 0 H SER A 102 -7.749 -9.674 15.373 1.00 0.44 H new ATOM 0 HA SER A 102 -4.813 -10.069 15.407 1.00 0.27 H new ATOM 0 HB2 SER A 102 -5.334 -12.205 16.095 1.00 0.30 H new ATOM 0 HB3 SER A 102 -6.867 -11.473 16.522 1.00 0.30 H new ATOM 0 HG SER A 102 -7.232 -11.968 14.020 1.00 1.66 H new ATOM 1652 N CYS A 103 -4.443 -10.569 12.983 1.00 0.20 N ATOM 1653 CA CYS A 103 -4.249 -10.791 11.522 1.00 0.31 C ATOM 1654 C CYS A 103 -2.824 -11.297 11.261 1.00 0.33 C ATOM 1655 O CYS A 103 -2.024 -10.595 10.676 1.00 0.38 O ATOM 1656 CB CYS A 103 -4.456 -9.467 10.782 1.00 0.37 C ATOM 1657 SG CYS A 103 -4.705 -9.794 9.019 1.00 0.28 S ATOM 0 H CYS A 103 -3.591 -10.378 13.510 1.00 0.20 H new ATOM 0 HA CYS A 103 -4.967 -11.531 11.168 1.00 0.31 H new ATOM 0 HB2 CYS A 103 -5.319 -8.941 11.191 1.00 0.37 H new ATOM 0 HB3 CYS A 103 -3.591 -8.819 10.924 1.00 0.37 H new ATOM 1662 N PRO A 104 -2.541 -12.501 11.704 1.00 0.32 N ATOM 1663 CA PRO A 104 -1.206 -13.101 11.522 1.00 0.39 C ATOM 1664 C PRO A 104 -0.908 -13.291 10.032 1.00 0.52 C ATOM 1665 O PRO A 104 -1.804 -13.430 9.222 1.00 0.54 O ATOM 1666 CB PRO A 104 -1.283 -14.459 12.232 1.00 0.37 C ATOM 1667 CG PRO A 104 -2.715 -14.611 12.805 1.00 0.27 C ATOM 1668 CD PRO A 104 -3.512 -13.355 12.418 1.00 0.26 C ATOM 0 HA PRO A 104 -0.412 -12.472 11.926 1.00 0.39 H new ATOM 0 HB2 PRO A 104 -1.062 -15.268 11.535 1.00 0.37 H new ATOM 0 HB3 PRO A 104 -0.544 -14.515 13.031 1.00 0.37 H new ATOM 0 HG2 PRO A 104 -3.193 -15.505 12.405 1.00 0.27 H new ATOM 0 HG3 PRO A 104 -2.683 -14.724 13.889 1.00 0.27 H new ATOM 0 HD2 PRO A 104 -4.362 -13.605 11.783 1.00 0.26 H new ATOM 0 HD3 PRO A 104 -3.910 -12.851 13.299 1.00 0.26 H new ATOM 1676 N VAL A 105 0.345 -13.298 9.666 1.00 0.62 N ATOM 1677 CA VAL A 105 0.703 -13.480 8.231 1.00 0.75 C ATOM 1678 C VAL A 105 0.957 -14.965 7.958 1.00 0.75 C ATOM 1679 O VAL A 105 0.941 -15.779 8.860 1.00 0.62 O ATOM 1680 CB VAL A 105 1.969 -12.675 7.920 1.00 0.88 C ATOM 1681 CG1 VAL A 105 3.133 -13.215 8.752 1.00 0.94 C ATOM 1682 CG2 VAL A 105 2.311 -12.799 6.432 1.00 1.09 C ATOM 0 H VAL A 105 1.136 -13.185 10.299 1.00 0.62 H new ATOM 0 HA VAL A 105 -0.113 -13.130 7.599 1.00 0.75 H new ATOM 0 HB VAL A 105 1.796 -11.627 8.165 1.00 0.88 H new ATOM 0 HG11 VAL A 105 4.034 -12.643 8.531 1.00 0.94 H new ATOM 0 HG12 VAL A 105 2.896 -13.124 9.812 1.00 0.94 H new ATOM 0 HG13 VAL A 105 3.300 -14.264 8.507 1.00 0.94 H new ATOM 0 HG21 VAL A 105 3.212 -12.225 6.217 1.00 1.09 H new ATOM 0 HG22 VAL A 105 2.481 -13.847 6.184 1.00 1.09 H new ATOM 0 HG23 VAL A 105 1.484 -12.414 5.835 1.00 1.09 H new ATOM 1692 N LYS A 106 1.189 -15.322 6.723 1.00 1.17 N ATOM 1693 CA LYS A 106 1.442 -16.754 6.390 1.00 1.17 C ATOM 1694 C LYS A 106 2.530 -16.843 5.317 1.00 1.05 C ATOM 1695 O LYS A 106 3.707 -16.891 5.616 1.00 1.31 O ATOM 1696 CB LYS A 106 0.153 -17.392 5.866 1.00 1.17 C ATOM 1697 CG LYS A 106 0.428 -18.842 5.466 1.00 1.63 C ATOM 1698 CD LYS A 106 -0.885 -19.630 5.466 1.00 1.29 C ATOM 1699 CE LYS A 106 -1.052 -20.343 6.809 1.00 2.26 C ATOM 1700 NZ LYS A 106 -0.654 -19.425 7.913 1.00 3.49 N ATOM 0 H LYS A 106 1.214 -14.682 5.929 1.00 1.17 H new ATOM 0 HA LYS A 106 1.770 -17.283 7.285 1.00 1.17 H new ATOM 0 HB2 LYS A 106 -0.621 -17.356 6.632 1.00 1.17 H new ATOM 0 HB3 LYS A 106 -0.220 -16.832 5.009 1.00 1.17 H new ATOM 0 HG2 LYS A 106 0.885 -18.877 4.477 1.00 1.63 H new ATOM 0 HG3 LYS A 106 1.136 -19.294 6.161 1.00 1.63 H new ATOM 0 HD2 LYS A 106 -1.725 -18.958 5.292 1.00 1.29 H new ATOM 0 HD3 LYS A 106 -0.885 -20.357 4.654 1.00 1.29 H new ATOM 0 HE2 LYS A 106 -2.087 -20.658 6.939 1.00 2.26 H new ATOM 0 HE3 LYS A 106 -0.439 -21.244 6.833 1.00 2.26 H new ATOM 0 HZ1 LYS A 106 -0.863 -19.872 8.829 1.00 3.49 H new ATOM 0 HZ2 LYS A 106 0.365 -19.226 7.849 1.00 3.49 H new ATOM 0 HZ3 LYS A 106 -1.186 -18.535 7.833 1.00 3.49 H new ATOM 1714 N GLU A 107 2.148 -16.866 4.069 1.00 0.89 N ATOM 1715 CA GLU A 107 3.163 -16.953 2.982 1.00 0.79 C ATOM 1716 C GLU A 107 2.622 -16.276 1.722 1.00 0.82 C ATOM 1717 O GLU A 107 1.548 -15.707 1.722 1.00 1.13 O ATOM 1718 CB GLU A 107 3.464 -18.423 2.681 1.00 0.64 C ATOM 1719 CG GLU A 107 4.126 -19.070 3.900 1.00 0.52 C ATOM 1720 CD GLU A 107 4.734 -20.415 3.497 1.00 0.84 C ATOM 1721 OE1 GLU A 107 4.109 -21.116 2.719 1.00 1.62 O ATOM 1722 OE2 GLU A 107 5.814 -20.720 3.974 1.00 1.46 O ATOM 0 H GLU A 107 1.178 -16.828 3.756 1.00 0.89 H new ATOM 0 HA GLU A 107 4.077 -16.452 3.299 1.00 0.79 H new ATOM 0 HB2 GLU A 107 2.543 -18.950 2.432 1.00 0.64 H new ATOM 0 HB3 GLU A 107 4.120 -18.501 1.814 1.00 0.64 H new ATOM 0 HG2 GLU A 107 4.900 -18.414 4.298 1.00 0.52 H new ATOM 0 HG3 GLU A 107 3.392 -19.214 4.692 1.00 0.52 H new ATOM 1729 N ALA A 108 3.358 -16.332 0.645 1.00 0.61 N ATOM 1730 CA ALA A 108 2.887 -15.692 -0.616 1.00 0.68 C ATOM 1731 C ALA A 108 4.016 -15.708 -1.647 1.00 0.65 C ATOM 1732 O ALA A 108 5.182 -15.695 -1.305 1.00 1.01 O ATOM 1733 CB ALA A 108 2.475 -14.246 -0.331 1.00 0.86 C ATOM 0 H ALA A 108 4.266 -16.794 0.584 1.00 0.61 H new ATOM 0 HA ALA A 108 2.031 -16.243 -1.006 1.00 0.68 H new ATOM 0 HB1 ALA A 108 2.130 -13.777 -1.253 1.00 0.86 H new ATOM 0 HB2 ALA A 108 1.670 -14.235 0.404 1.00 0.86 H new ATOM 0 HB3 ALA A 108 3.330 -13.694 0.059 1.00 0.86 H new ATOM 1739 N ASP A 109 3.681 -15.737 -2.907 1.00 0.27 N ATOM 1740 CA ASP A 109 4.737 -15.754 -3.959 1.00 0.32 C ATOM 1741 C ASP A 109 5.573 -14.476 -3.862 1.00 0.34 C ATOM 1742 O ASP A 109 6.174 -14.190 -2.845 1.00 0.40 O ATOM 1743 CB ASP A 109 4.082 -15.832 -5.339 1.00 0.36 C ATOM 1744 CG ASP A 109 3.411 -17.196 -5.510 1.00 0.35 C ATOM 1745 OD1 ASP A 109 4.100 -18.130 -5.885 1.00 1.23 O ATOM 1746 OD2 ASP A 109 2.219 -17.283 -5.261 1.00 1.17 O ATOM 0 H ASP A 109 2.722 -15.750 -3.254 1.00 0.27 H new ATOM 0 HA ASP A 109 5.381 -16.622 -3.814 1.00 0.32 H new ATOM 0 HB2 ASP A 109 3.345 -15.036 -5.449 1.00 0.36 H new ATOM 0 HB3 ASP A 109 4.830 -15.683 -6.117 1.00 0.36 H new ATOM 1751 N GLN A 110 5.617 -13.704 -4.914 1.00 0.34 N ATOM 1752 CA GLN A 110 6.415 -12.446 -4.881 1.00 0.36 C ATOM 1753 C GLN A 110 5.873 -11.471 -5.929 1.00 0.33 C ATOM 1754 O GLN A 110 5.376 -11.869 -6.962 1.00 0.42 O ATOM 1755 CB GLN A 110 7.881 -12.762 -5.187 1.00 0.44 C ATOM 1756 CG GLN A 110 8.745 -12.398 -3.979 1.00 0.37 C ATOM 1757 CD GLN A 110 10.215 -12.674 -4.301 1.00 0.66 C ATOM 1758 OE1 GLN A 110 11.038 -12.759 -3.412 1.00 1.27 O ATOM 1759 NE2 GLN A 110 10.582 -12.818 -5.545 1.00 1.60 N ATOM 0 H GLN A 110 5.135 -13.890 -5.794 1.00 0.34 H new ATOM 0 HA GLN A 110 6.341 -11.995 -3.892 1.00 0.36 H new ATOM 0 HB2 GLN A 110 7.994 -13.820 -5.423 1.00 0.44 H new ATOM 0 HB3 GLN A 110 8.209 -12.203 -6.064 1.00 0.44 H new ATOM 0 HG2 GLN A 110 8.609 -11.347 -3.724 1.00 0.37 H new ATOM 0 HG3 GLN A 110 8.437 -12.979 -3.110 1.00 0.37 H new ATOM 0 HE21 GLN A 110 9.891 -12.747 -6.292 1.00 1.60 H new ATOM 0 HE22 GLN A 110 11.560 -13.002 -5.770 1.00 1.60 H new ATOM 1768 N SER A 111 5.967 -10.196 -5.670 1.00 0.26 N ATOM 1769 CA SER A 111 5.458 -9.197 -6.652 1.00 0.28 C ATOM 1770 C SER A 111 6.294 -7.919 -6.559 1.00 0.28 C ATOM 1771 O SER A 111 6.711 -7.515 -5.492 1.00 0.41 O ATOM 1772 CB SER A 111 3.997 -8.874 -6.339 1.00 0.24 C ATOM 1773 OG SER A 111 3.886 -8.471 -4.980 1.00 0.36 O ATOM 0 H SER A 111 6.374 -9.803 -4.821 1.00 0.26 H new ATOM 0 HA SER A 111 5.532 -9.607 -7.659 1.00 0.28 H new ATOM 0 HB2 SER A 111 3.639 -8.081 -6.996 1.00 0.24 H new ATOM 0 HB3 SER A 111 3.372 -9.748 -6.524 1.00 0.24 H new ATOM 0 HG SER A 111 3.718 -9.256 -4.419 1.00 0.36 H new ATOM 1779 N THR A 112 6.542 -7.280 -7.669 1.00 0.20 N ATOM 1780 CA THR A 112 7.352 -6.030 -7.643 1.00 0.18 C ATOM 1781 C THR A 112 6.503 -4.884 -7.090 1.00 0.15 C ATOM 1782 O THR A 112 5.332 -4.765 -7.392 1.00 0.19 O ATOM 1783 CB THR A 112 7.808 -5.687 -9.064 1.00 0.21 C ATOM 1784 OG1 THR A 112 6.669 -5.488 -9.889 1.00 0.49 O ATOM 1785 CG2 THR A 112 8.651 -6.835 -9.621 1.00 0.32 C ATOM 0 H THR A 112 6.219 -7.569 -8.592 1.00 0.20 H new ATOM 0 HA THR A 112 8.225 -6.176 -7.007 1.00 0.18 H new ATOM 0 HB THR A 112 8.407 -4.776 -9.045 1.00 0.21 H new ATOM 0 HG1 THR A 112 6.408 -6.340 -10.297 1.00 0.49 H new ATOM 0 HG21 THR A 112 8.975 -6.591 -10.632 1.00 0.32 H new ATOM 0 HG22 THR A 112 9.524 -6.986 -8.986 1.00 0.32 H new ATOM 0 HG23 THR A 112 8.055 -7.747 -9.642 1.00 0.32 H new ATOM 1793 N LEU A 113 7.082 -4.039 -6.283 1.00 0.10 N ATOM 1794 CA LEU A 113 6.309 -2.900 -5.712 1.00 0.08 C ATOM 1795 C LEU A 113 5.527 -2.208 -6.831 1.00 0.11 C ATOM 1796 O LEU A 113 4.484 -1.627 -6.606 1.00 0.15 O ATOM 1797 CB LEU A 113 7.277 -1.903 -5.066 1.00 0.08 C ATOM 1798 CG LEU A 113 6.496 -0.769 -4.389 1.00 0.11 C ATOM 1799 CD1 LEU A 113 5.637 -1.327 -3.252 1.00 0.20 C ATOM 1800 CD2 LEU A 113 7.483 0.253 -3.821 1.00 0.12 C ATOM 0 H LEU A 113 8.059 -4.088 -5.994 1.00 0.10 H new ATOM 0 HA LEU A 113 5.613 -3.268 -4.958 1.00 0.08 H new ATOM 0 HB2 LEU A 113 7.900 -2.414 -4.332 1.00 0.08 H new ATOM 0 HB3 LEU A 113 7.946 -1.493 -5.822 1.00 0.08 H new ATOM 0 HG LEU A 113 5.848 -0.293 -5.125 1.00 0.11 H new ATOM 0 HD11 LEU A 113 5.087 -0.514 -2.779 1.00 0.20 H new ATOM 0 HD12 LEU A 113 4.933 -2.056 -3.652 1.00 0.20 H new ATOM 0 HD13 LEU A 113 6.278 -1.809 -2.514 1.00 0.20 H new ATOM 0 HD21 LEU A 113 6.933 1.061 -3.339 1.00 0.12 H new ATOM 0 HD22 LEU A 113 8.129 -0.233 -3.090 1.00 0.12 H new ATOM 0 HD23 LEU A 113 8.091 0.660 -4.629 1.00 0.12 H new ATOM 1812 N GLU A 114 6.023 -2.264 -8.037 1.00 0.09 N ATOM 1813 CA GLU A 114 5.308 -1.608 -9.168 1.00 0.12 C ATOM 1814 C GLU A 114 4.039 -2.396 -9.496 1.00 0.12 C ATOM 1815 O GLU A 114 2.942 -1.989 -9.168 1.00 0.13 O ATOM 1816 CB GLU A 114 6.220 -1.576 -10.397 1.00 0.14 C ATOM 1817 CG GLU A 114 5.476 -0.930 -11.567 1.00 0.20 C ATOM 1818 CD GLU A 114 6.483 -0.272 -12.513 1.00 0.28 C ATOM 1819 OE1 GLU A 114 6.828 0.874 -12.275 1.00 1.40 O ATOM 1820 OE2 GLU A 114 6.892 -0.925 -13.458 1.00 1.05 O ATOM 0 H GLU A 114 6.892 -2.735 -8.288 1.00 0.09 H new ATOM 0 HA GLU A 114 5.040 -0.590 -8.886 1.00 0.12 H new ATOM 0 HB2 GLU A 114 7.128 -1.015 -10.175 1.00 0.14 H new ATOM 0 HB3 GLU A 114 6.527 -2.588 -10.662 1.00 0.14 H new ATOM 0 HG2 GLU A 114 4.896 -1.682 -12.102 1.00 0.20 H new ATOM 0 HG3 GLU A 114 4.770 -0.187 -11.197 1.00 0.20 H new ATOM 1827 N ASN A 115 4.177 -3.522 -10.142 1.00 0.14 N ATOM 1828 CA ASN A 115 2.978 -4.333 -10.489 1.00 0.15 C ATOM 1829 C ASN A 115 2.103 -4.509 -9.246 1.00 0.09 C ATOM 1830 O ASN A 115 0.899 -4.349 -9.295 1.00 0.12 O ATOM 1831 CB ASN A 115 3.421 -5.707 -10.999 1.00 0.19 C ATOM 1832 CG ASN A 115 4.073 -5.556 -12.374 1.00 0.28 C ATOM 1833 OD1 ASN A 115 3.440 -5.779 -13.388 1.00 1.09 O ATOM 1834 ND2 ASN A 115 5.320 -5.182 -12.453 1.00 0.88 N ATOM 0 H ASN A 115 5.069 -3.914 -10.444 1.00 0.14 H new ATOM 0 HA ASN A 115 2.408 -3.823 -11.266 1.00 0.15 H new ATOM 0 HB2 ASN A 115 4.125 -6.157 -10.299 1.00 0.19 H new ATOM 0 HB3 ASN A 115 2.563 -6.377 -11.063 1.00 0.19 H new ATOM 0 HD21 ASN A 115 5.764 -5.077 -13.365 1.00 0.88 H new ATOM 0 HD22 ASN A 115 5.851 -4.995 -11.603 1.00 0.88 H new ATOM 1841 N PHE A 116 2.700 -4.835 -8.133 1.00 0.04 N ATOM 1842 CA PHE A 116 1.902 -5.019 -6.887 1.00 0.08 C ATOM 1843 C PHE A 116 0.970 -3.820 -6.698 1.00 0.11 C ATOM 1844 O PHE A 116 -0.200 -3.971 -6.406 1.00 0.16 O ATOM 1845 CB PHE A 116 2.846 -5.125 -5.688 1.00 0.10 C ATOM 1846 CG PHE A 116 2.044 -5.071 -4.410 1.00 0.09 C ATOM 1847 CD1 PHE A 116 1.659 -3.835 -3.877 1.00 0.11 C ATOM 1848 CD2 PHE A 116 1.686 -6.256 -3.757 1.00 0.11 C ATOM 1849 CE1 PHE A 116 0.916 -3.784 -2.691 1.00 0.13 C ATOM 1850 CE2 PHE A 116 0.942 -6.207 -2.572 1.00 0.14 C ATOM 1851 CZ PHE A 116 0.557 -4.970 -2.039 1.00 0.15 C ATOM 0 H PHE A 116 3.704 -4.982 -8.032 1.00 0.04 H new ATOM 0 HA PHE A 116 1.310 -5.931 -6.965 1.00 0.08 H new ATOM 0 HB2 PHE A 116 3.410 -6.056 -5.737 1.00 0.10 H new ATOM 0 HB3 PHE A 116 3.571 -4.312 -5.709 1.00 0.10 H new ATOM 0 HD1 PHE A 116 1.935 -2.920 -4.381 1.00 0.11 H new ATOM 0 HD2 PHE A 116 1.984 -7.209 -4.168 1.00 0.11 H new ATOM 0 HE1 PHE A 116 0.620 -2.830 -2.279 1.00 0.13 H new ATOM 0 HE2 PHE A 116 0.665 -7.122 -2.069 1.00 0.14 H new ATOM 0 HZ PHE A 116 -0.017 -4.931 -1.125 1.00 0.15 H new ATOM 1861 N LEU A 117 1.478 -2.629 -6.861 1.00 0.10 N ATOM 1862 CA LEU A 117 0.620 -1.424 -6.691 1.00 0.16 C ATOM 1863 C LEU A 117 -0.404 -1.363 -7.825 1.00 0.20 C ATOM 1864 O LEU A 117 -1.494 -0.849 -7.665 1.00 0.35 O ATOM 1865 CB LEU A 117 1.493 -0.166 -6.724 1.00 0.18 C ATOM 1866 CG LEU A 117 1.852 0.253 -5.294 1.00 0.22 C ATOM 1867 CD1 LEU A 117 2.927 1.340 -5.338 1.00 0.34 C ATOM 1868 CD2 LEU A 117 0.609 0.800 -4.579 1.00 0.36 C ATOM 0 H LEU A 117 2.450 -2.439 -7.105 1.00 0.10 H new ATOM 0 HA LEU A 117 0.100 -1.481 -5.734 1.00 0.16 H new ATOM 0 HB2 LEU A 117 2.401 -0.357 -7.296 1.00 0.18 H new ATOM 0 HB3 LEU A 117 0.963 0.643 -7.228 1.00 0.18 H new ATOM 0 HG LEU A 117 2.225 -0.616 -4.751 1.00 0.22 H new ATOM 0 HD11 LEU A 117 3.184 1.639 -4.322 1.00 0.34 H new ATOM 0 HD12 LEU A 117 3.815 0.953 -5.838 1.00 0.34 H new ATOM 0 HD13 LEU A 117 2.549 2.203 -5.886 1.00 0.34 H new ATOM 0 HD21 LEU A 117 0.874 1.095 -3.564 1.00 0.36 H new ATOM 0 HD22 LEU A 117 0.229 1.666 -5.121 1.00 0.36 H new ATOM 0 HD23 LEU A 117 -0.160 0.028 -4.544 1.00 0.36 H new ATOM 1880 N GLU A 118 -0.064 -1.885 -8.972 1.00 0.09 N ATOM 1881 CA GLU A 118 -1.020 -1.858 -10.116 1.00 0.12 C ATOM 1882 C GLU A 118 -2.233 -2.731 -9.788 1.00 0.11 C ATOM 1883 O GLU A 118 -3.344 -2.253 -9.683 1.00 0.15 O ATOM 1884 CB GLU A 118 -0.329 -2.394 -11.371 1.00 0.14 C ATOM 1885 CG GLU A 118 -1.057 -1.880 -12.615 1.00 0.20 C ATOM 1886 CD GLU A 118 -0.353 -2.400 -13.870 1.00 0.95 C ATOM 1887 OE1 GLU A 118 0.087 -3.538 -13.850 1.00 2.04 O ATOM 1888 OE2 GLU A 118 -0.268 -1.652 -14.829 1.00 1.08 O ATOM 0 H GLU A 118 0.834 -2.329 -9.167 1.00 0.09 H new ATOM 0 HA GLU A 118 -1.347 -0.833 -10.292 1.00 0.12 H new ATOM 0 HB2 GLU A 118 0.713 -2.075 -11.389 1.00 0.14 H new ATOM 0 HB3 GLU A 118 -0.329 -3.484 -11.361 1.00 0.14 H new ATOM 0 HG2 GLU A 118 -2.096 -2.211 -12.604 1.00 0.20 H new ATOM 0 HG3 GLU A 118 -1.070 -0.790 -12.618 1.00 0.20 H new ATOM 1895 N ARG A 119 -2.028 -4.010 -9.623 1.00 0.07 N ATOM 1896 CA ARG A 119 -3.169 -4.912 -9.302 1.00 0.08 C ATOM 1897 C ARG A 119 -3.911 -4.378 -8.075 1.00 0.10 C ATOM 1898 O ARG A 119 -5.121 -4.450 -7.990 1.00 0.10 O ATOM 1899 CB ARG A 119 -2.640 -6.317 -9.006 1.00 0.06 C ATOM 1900 CG ARG A 119 -1.625 -6.252 -7.863 1.00 0.08 C ATOM 1901 CD ARG A 119 -0.928 -7.606 -7.719 1.00 0.10 C ATOM 1902 NE ARG A 119 -1.921 -8.699 -7.917 1.00 0.80 N ATOM 1903 CZ ARG A 119 -1.513 -9.918 -8.135 1.00 0.98 C ATOM 1904 NH1 ARG A 119 -0.236 -10.181 -8.180 1.00 0.60 N ATOM 1905 NH2 ARG A 119 -2.382 -10.876 -8.308 1.00 1.61 N ATOM 0 H ARG A 119 -1.120 -4.468 -9.697 1.00 0.07 H new ATOM 0 HA ARG A 119 -3.851 -4.952 -10.151 1.00 0.08 H new ATOM 0 HB2 ARG A 119 -3.464 -6.978 -8.737 1.00 0.06 H new ATOM 0 HB3 ARG A 119 -2.173 -6.736 -9.897 1.00 0.06 H new ATOM 0 HG2 ARG A 119 -0.890 -5.472 -8.060 1.00 0.08 H new ATOM 0 HG3 ARG A 119 -2.127 -5.989 -6.932 1.00 0.08 H new ATOM 0 HD2 ARG A 119 -0.125 -7.693 -8.450 1.00 0.10 H new ATOM 0 HD3 ARG A 119 -0.472 -7.689 -6.733 1.00 0.10 H new ATOM 0 HE ARG A 119 -2.920 -8.494 -7.882 1.00 0.80 H new ATOM 0 HH11 ARG A 119 0.444 -9.433 -8.045 1.00 0.60 H new ATOM 0 HH12 ARG A 119 0.083 -11.135 -8.351 1.00 0.60 H new ATOM 0 HH21 ARG A 119 -3.381 -10.671 -8.273 1.00 1.61 H new ATOM 0 HH22 ARG A 119 -2.063 -11.830 -8.479 1.00 1.61 H new ATOM 1919 N LEU A 120 -3.195 -3.841 -7.124 1.00 0.13 N ATOM 1920 CA LEU A 120 -3.861 -3.302 -5.905 1.00 0.15 C ATOM 1921 C LEU A 120 -4.727 -2.102 -6.294 1.00 0.16 C ATOM 1922 O LEU A 120 -5.930 -2.111 -6.123 1.00 0.14 O ATOM 1923 CB LEU A 120 -2.794 -2.862 -4.897 1.00 0.18 C ATOM 1924 CG LEU A 120 -3.399 -2.796 -3.489 1.00 0.21 C ATOM 1925 CD1 LEU A 120 -2.300 -2.460 -2.480 1.00 0.24 C ATOM 1926 CD2 LEU A 120 -4.483 -1.714 -3.434 1.00 0.22 C ATOM 0 H LEU A 120 -2.179 -3.753 -7.139 1.00 0.13 H new ATOM 0 HA LEU A 120 -4.488 -4.072 -5.455 1.00 0.15 H new ATOM 0 HB2 LEU A 120 -1.958 -3.562 -4.910 1.00 0.18 H new ATOM 0 HB3 LEU A 120 -2.397 -1.886 -5.177 1.00 0.18 H new ATOM 0 HG LEU A 120 -3.843 -3.761 -3.246 1.00 0.21 H new ATOM 0 HD11 LEU A 120 -2.728 -2.413 -1.479 1.00 0.24 H new ATOM 0 HD12 LEU A 120 -1.531 -3.231 -2.510 1.00 0.24 H new ATOM 0 HD13 LEU A 120 -1.857 -1.496 -2.732 1.00 0.24 H new ATOM 0 HD21 LEU A 120 -4.907 -1.674 -2.431 1.00 0.22 H new ATOM 0 HD22 LEU A 120 -4.045 -0.747 -3.681 1.00 0.22 H new ATOM 0 HD23 LEU A 120 -5.269 -1.950 -4.151 1.00 0.22 H new ATOM 1938 N LYS A 121 -4.125 -1.069 -6.817 1.00 0.20 N ATOM 1939 CA LYS A 121 -4.914 0.129 -7.217 1.00 0.22 C ATOM 1940 C LYS A 121 -6.094 -0.304 -8.089 1.00 0.17 C ATOM 1941 O LYS A 121 -7.205 0.158 -7.921 1.00 0.15 O ATOM 1942 CB LYS A 121 -4.020 1.088 -8.007 1.00 0.30 C ATOM 1943 CG LYS A 121 -4.812 2.346 -8.369 1.00 0.20 C ATOM 1944 CD LYS A 121 -4.987 2.421 -9.887 1.00 1.05 C ATOM 1945 CE LYS A 121 -3.625 2.639 -10.549 1.00 0.47 C ATOM 1946 NZ LYS A 121 -3.380 1.562 -11.548 1.00 1.81 N ATOM 0 H LYS A 121 -3.121 -1.003 -6.984 1.00 0.20 H new ATOM 0 HA LYS A 121 -5.288 0.632 -6.325 1.00 0.22 H new ATOM 0 HB2 LYS A 121 -3.144 1.355 -7.416 1.00 0.30 H new ATOM 0 HB3 LYS A 121 -3.657 0.601 -8.912 1.00 0.30 H new ATOM 0 HG2 LYS A 121 -5.786 2.328 -7.881 1.00 0.20 H new ATOM 0 HG3 LYS A 121 -4.291 3.233 -8.008 1.00 0.20 H new ATOM 0 HD2 LYS A 121 -5.440 1.501 -10.257 1.00 1.05 H new ATOM 0 HD3 LYS A 121 -5.663 3.236 -10.146 1.00 1.05 H new ATOM 0 HE2 LYS A 121 -3.597 3.614 -11.035 1.00 0.47 H new ATOM 0 HE3 LYS A 121 -2.838 2.636 -9.795 1.00 0.47 H new ATOM 0 HZ1 LYS A 121 -2.454 1.710 -11.998 1.00 1.81 H new ATOM 0 HZ2 LYS A 121 -3.389 0.638 -11.071 1.00 1.81 H new ATOM 0 HZ3 LYS A 121 -4.125 1.585 -12.273 1.00 1.81 H new ATOM 1960 N THR A 122 -5.862 -1.186 -9.022 1.00 0.15 N ATOM 1961 CA THR A 122 -6.970 -1.648 -9.903 1.00 0.16 C ATOM 1962 C THR A 122 -8.069 -2.285 -9.050 1.00 0.11 C ATOM 1963 O THR A 122 -9.226 -1.927 -9.143 1.00 0.17 O ATOM 1964 CB THR A 122 -6.435 -2.679 -10.900 1.00 0.18 C ATOM 1965 OG1 THR A 122 -5.106 -2.335 -11.267 1.00 0.44 O ATOM 1966 CG2 THR A 122 -7.322 -2.697 -12.145 1.00 0.49 C ATOM 0 H THR A 122 -4.952 -1.607 -9.212 1.00 0.15 H new ATOM 0 HA THR A 122 -7.380 -0.797 -10.447 1.00 0.16 H new ATOM 0 HB THR A 122 -6.441 -3.667 -10.439 1.00 0.18 H new ATOM 0 HG1 THR A 122 -4.479 -2.710 -10.614 1.00 0.44 H new ATOM 0 HG21 THR A 122 -6.940 -3.432 -12.854 1.00 0.49 H new ATOM 0 HG22 THR A 122 -8.341 -2.962 -11.862 1.00 0.49 H new ATOM 0 HG23 THR A 122 -7.319 -1.710 -12.608 1.00 0.49 H new ATOM 1974 N ILE A 123 -7.716 -3.229 -8.221 1.00 0.05 N ATOM 1975 CA ILE A 123 -8.742 -3.887 -7.363 1.00 0.12 C ATOM 1976 C ILE A 123 -9.527 -2.821 -6.597 1.00 0.06 C ATOM 1977 O ILE A 123 -10.734 -2.892 -6.478 1.00 0.10 O ATOM 1978 CB ILE A 123 -8.050 -4.823 -6.369 1.00 0.21 C ATOM 1979 CG1 ILE A 123 -7.576 -6.081 -7.100 1.00 0.27 C ATOM 1980 CG2 ILE A 123 -9.035 -5.215 -5.268 1.00 0.31 C ATOM 1981 CD1 ILE A 123 -6.620 -6.866 -6.200 1.00 0.38 C ATOM 0 H ILE A 123 -6.763 -3.573 -8.101 1.00 0.05 H new ATOM 0 HA ILE A 123 -9.425 -4.461 -7.989 1.00 0.12 H new ATOM 0 HB ILE A 123 -7.194 -4.315 -5.926 1.00 0.21 H new ATOM 0 HG12 ILE A 123 -8.431 -6.702 -7.369 1.00 0.27 H new ATOM 0 HG13 ILE A 123 -7.076 -5.808 -8.029 1.00 0.27 H new ATOM 0 HG21 ILE A 123 -8.543 -5.882 -4.560 1.00 0.31 H new ATOM 0 HG22 ILE A 123 -9.374 -4.319 -4.748 1.00 0.31 H new ATOM 0 HG23 ILE A 123 -9.891 -5.724 -5.710 1.00 0.31 H new ATOM 0 HD11 ILE A 123 -6.283 -7.762 -6.721 1.00 0.38 H new ATOM 0 HD12 ILE A 123 -5.759 -6.244 -5.953 1.00 0.38 H new ATOM 0 HD13 ILE A 123 -7.136 -7.152 -5.283 1.00 0.38 H new ATOM 1993 N MET A 124 -8.852 -1.832 -6.078 1.00 0.05 N ATOM 1994 CA MET A 124 -9.561 -0.762 -5.322 1.00 0.10 C ATOM 1995 C MET A 124 -10.628 -0.127 -6.216 1.00 0.16 C ATOM 1996 O MET A 124 -11.784 -0.038 -5.853 1.00 0.25 O ATOM 1997 CB MET A 124 -8.556 0.307 -4.889 1.00 0.23 C ATOM 1998 CG MET A 124 -7.896 -0.113 -3.573 1.00 0.29 C ATOM 1999 SD MET A 124 -9.099 -0.001 -2.221 1.00 0.96 S ATOM 2000 CE MET A 124 -9.300 1.799 -2.216 1.00 2.05 C ATOM 0 H MET A 124 -7.840 -1.719 -6.145 1.00 0.05 H new ATOM 0 HA MET A 124 -10.036 -1.193 -4.441 1.00 0.10 H new ATOM 0 HB2 MET A 124 -7.798 0.442 -5.661 1.00 0.23 H new ATOM 0 HB3 MET A 124 -9.060 1.266 -4.765 1.00 0.23 H new ATOM 0 HG2 MET A 124 -7.519 -1.133 -3.653 1.00 0.29 H new ATOM 0 HG3 MET A 124 -7.039 0.528 -3.364 1.00 0.29 H new ATOM 0 HE1 MET A 124 -9.272 2.165 -1.190 1.00 2.05 H new ATOM 0 HE2 MET A 124 -8.492 2.257 -2.787 1.00 2.05 H new ATOM 0 HE3 MET A 124 -10.257 2.060 -2.669 1.00 2.05 H new ATOM 2010 N ARG A 125 -10.249 0.315 -7.385 1.00 0.19 N ATOM 2011 CA ARG A 125 -11.242 0.943 -8.301 1.00 0.28 C ATOM 2012 C ARG A 125 -12.289 -0.095 -8.707 1.00 0.33 C ATOM 2013 O ARG A 125 -13.351 0.237 -9.193 1.00 0.47 O ATOM 2014 CB ARG A 125 -10.525 1.462 -9.550 1.00 0.46 C ATOM 2015 CG ARG A 125 -10.207 2.947 -9.377 1.00 0.78 C ATOM 2016 CD ARG A 125 -9.072 3.340 -10.324 1.00 0.87 C ATOM 2017 NE ARG A 125 -9.299 4.725 -10.825 1.00 1.24 N ATOM 2018 CZ ARG A 125 -8.328 5.380 -11.399 1.00 1.58 C ATOM 2019 NH1 ARG A 125 -7.155 4.821 -11.534 1.00 1.97 N ATOM 2020 NH2 ARG A 125 -8.527 6.592 -11.839 1.00 1.97 N ATOM 0 H ARG A 125 -9.295 0.268 -7.744 1.00 0.19 H new ATOM 0 HA ARG A 125 -11.733 1.773 -7.792 1.00 0.28 H new ATOM 0 HB2 ARG A 125 -9.606 0.899 -9.715 1.00 0.46 H new ATOM 0 HB3 ARG A 125 -11.151 1.314 -10.430 1.00 0.46 H new ATOM 0 HG2 ARG A 125 -11.093 3.546 -9.586 1.00 0.78 H new ATOM 0 HG3 ARG A 125 -9.921 3.151 -8.345 1.00 0.78 H new ATOM 0 HD2 ARG A 125 -8.115 3.282 -9.805 1.00 0.87 H new ATOM 0 HD3 ARG A 125 -9.024 2.643 -11.160 1.00 0.87 H new ATOM 0 HE ARG A 125 -10.215 5.161 -10.719 1.00 1.24 H new ATOM 0 HH11 ARG A 125 -6.999 3.873 -11.191 1.00 1.97 H new ATOM 0 HH12 ARG A 125 -6.395 5.332 -11.983 1.00 1.97 H new ATOM 0 HH21 ARG A 125 -9.443 7.029 -11.734 1.00 1.97 H new ATOM 0 HH22 ARG A 125 -7.767 7.103 -12.288 1.00 1.97 H new ATOM 2034 N GLU A 126 -11.999 -1.353 -8.512 1.00 0.27 N ATOM 2035 CA GLU A 126 -12.978 -2.411 -8.887 1.00 0.39 C ATOM 2036 C GLU A 126 -14.038 -2.537 -7.791 1.00 0.37 C ATOM 2037 O GLU A 126 -15.216 -2.657 -8.065 1.00 0.46 O ATOM 2038 CB GLU A 126 -12.249 -3.748 -9.048 1.00 0.44 C ATOM 2039 CG GLU A 126 -13.152 -4.736 -9.788 1.00 0.20 C ATOM 2040 CD GLU A 126 -12.646 -6.161 -9.558 1.00 0.46 C ATOM 2041 OE1 GLU A 126 -12.422 -6.511 -8.411 1.00 1.28 O ATOM 2042 OE2 GLU A 126 -12.491 -6.878 -10.532 1.00 1.30 O ATOM 0 H GLU A 126 -11.126 -1.693 -8.109 1.00 0.27 H new ATOM 0 HA GLU A 126 -13.458 -2.144 -9.828 1.00 0.39 H new ATOM 0 HB2 GLU A 126 -11.320 -3.604 -9.600 1.00 0.44 H new ATOM 0 HB3 GLU A 126 -11.980 -4.147 -8.070 1.00 0.44 H new ATOM 0 HG2 GLU A 126 -14.179 -4.642 -9.434 1.00 0.20 H new ATOM 0 HG3 GLU A 126 -13.160 -4.509 -10.854 1.00 0.20 H new ATOM 2049 N LYS A 127 -13.630 -2.510 -6.552 1.00 0.36 N ATOM 2050 CA LYS A 127 -14.615 -2.628 -5.441 1.00 0.40 C ATOM 2051 C LYS A 127 -15.105 -1.235 -5.043 1.00 0.29 C ATOM 2052 O LYS A 127 -16.037 -1.089 -4.276 1.00 0.32 O ATOM 2053 CB LYS A 127 -13.950 -3.297 -4.237 1.00 0.42 C ATOM 2054 CG LYS A 127 -13.371 -4.650 -4.658 1.00 0.55 C ATOM 2055 CD LYS A 127 -13.441 -5.624 -3.479 1.00 0.82 C ATOM 2056 CE LYS A 127 -12.384 -6.716 -3.656 1.00 0.81 C ATOM 2057 NZ LYS A 127 -12.638 -7.453 -4.927 1.00 2.03 N ATOM 0 H LYS A 127 -12.657 -2.411 -6.261 1.00 0.36 H new ATOM 0 HA LYS A 127 -15.461 -3.231 -5.770 1.00 0.40 H new ATOM 0 HB2 LYS A 127 -13.159 -2.658 -3.844 1.00 0.42 H new ATOM 0 HB3 LYS A 127 -14.677 -3.434 -3.437 1.00 0.42 H new ATOM 0 HG2 LYS A 127 -13.928 -5.048 -5.506 1.00 0.55 H new ATOM 0 HG3 LYS A 127 -12.338 -4.530 -4.984 1.00 0.55 H new ATOM 0 HD2 LYS A 127 -13.275 -5.091 -2.543 1.00 0.82 H new ATOM 0 HD3 LYS A 127 -14.434 -6.070 -3.420 1.00 0.82 H new ATOM 0 HE2 LYS A 127 -11.388 -6.274 -3.673 1.00 0.81 H new ATOM 0 HE3 LYS A 127 -12.413 -7.405 -2.812 1.00 0.81 H new ATOM 0 HZ1 LYS A 127 -12.108 -8.348 -4.921 1.00 2.03 H new ATOM 0 HZ2 LYS A 127 -13.655 -7.654 -5.015 1.00 2.03 H new ATOM 0 HZ3 LYS A 127 -12.329 -6.872 -5.733 1.00 2.03 H new ATOM 2071 N TYR A 128 -14.486 -0.208 -5.559 1.00 0.20 N ATOM 2072 CA TYR A 128 -14.917 1.175 -5.210 1.00 0.15 C ATOM 2073 C TYR A 128 -16.285 1.455 -5.834 1.00 0.28 C ATOM 2074 O TYR A 128 -16.768 2.570 -5.819 1.00 0.34 O ATOM 2075 CB TYR A 128 -13.895 2.178 -5.749 1.00 0.25 C ATOM 2076 CG TYR A 128 -14.311 3.578 -5.361 1.00 0.25 C ATOM 2077 CD1 TYR A 128 -14.183 4.002 -4.033 1.00 0.28 C ATOM 2078 CD2 TYR A 128 -14.824 4.449 -6.329 1.00 0.41 C ATOM 2079 CE1 TYR A 128 -14.567 5.299 -3.672 1.00 0.30 C ATOM 2080 CE2 TYR A 128 -15.210 5.746 -5.968 1.00 0.39 C ATOM 2081 CZ TYR A 128 -15.081 6.172 -4.640 1.00 0.25 C ATOM 2082 OH TYR A 128 -15.461 7.449 -4.286 1.00 0.25 O ATOM 0 H TYR A 128 -13.701 -0.267 -6.207 1.00 0.20 H new ATOM 0 HA TYR A 128 -14.985 1.273 -4.127 1.00 0.15 H new ATOM 0 HB2 TYR A 128 -12.906 1.957 -5.348 1.00 0.25 H new ATOM 0 HB3 TYR A 128 -13.825 2.095 -6.834 1.00 0.25 H new ATOM 0 HD1 TYR A 128 -13.788 3.328 -3.287 1.00 0.28 H new ATOM 0 HD2 TYR A 128 -14.922 4.121 -7.353 1.00 0.41 H new ATOM 0 HE1 TYR A 128 -14.467 5.627 -2.648 1.00 0.30 H new ATOM 0 HE2 TYR A 128 -15.607 6.418 -6.714 1.00 0.39 H new ATOM 0 HH TYR A 128 -15.794 7.922 -5.077 1.00 0.25 H new