USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 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 180:sc= -0.31 USER MOD Set 1.2: A 115 ASN : amide:sc= -5.95! K(o=-6.3!,f=-0.53) USER MOD Set 2.1: A 58 GLN : amide:sc= -5.97! C(o=-12!,f=-9.6!) USER MOD Set 2.2: A 63 HIS : no HD1:sc= -6.47! C(o=-12!,f=-9.6!) USER MOD Set 3.1: A 40 SER OG : rot 81:sc= 1.22 USER MOD Set 3.2: A 43 THR OG1 : rot 31:sc= 1.08! USER MOD Single : A 10 THR OG1 : rot 85:sc= 0.553 USER MOD Single : A 12 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.14) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 85:sc= 0.94 USER MOD Single : A 19 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.051) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -20:sc= 0.777 USER MOD Single : A 24 GLN : amide:sc= -4.04 K(o=-4,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.762) USER MOD Single : A 26 THR OG1 : rot -100:sc= -0.22 USER MOD Single : A 29 THR OG1 : rot -81:sc= 0.489 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0432 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -0.131 (180deg=-0.987) USER MOD Single : A 48 THR OG1 : rot 62:sc= -1.45! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 171:sc= 0.923 USER MOD Single : A 61 SER OG : rot 95:sc= 0.917 USER MOD Single : A 62 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 75 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.24) USER MOD Single : A 76 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.003) USER MOD Single : A 78 HIS : no HD1:sc= -0.74 K(o=-0.74,f=-0.11) USER MOD Single : A 80 HIS : no HD1:sc= -6.41! C(o=-6.4!,f=-6.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -122:sc= 0.00142 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 101 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.3) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -2.71 K(o=-2.7,f=-2.1) USER MOD Single : A 111 SER OG : rot -154:sc= 0.638 USER MOD Single : A 121 LYS NZ :NH3+ -163:sc= -4.78! (180deg=-5.14!) USER MOD Single : A 122 THR OG1 : rot 79:sc= 0.473 USER MOD Single : A 124 MET CE :methyl 180:sc= -0.0779 (180deg=-0.0779) USER MOD Single : A 127 LYS NZ :NH3+ 148:sc= -4.77! (180deg=-5.88!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.785 5.166 1.551 1.00 0.91 N ATOM 103 CA ASP A 8 -16.610 5.575 2.371 1.00 0.72 C ATOM 104 C ASP A 8 -15.805 6.636 1.620 1.00 0.66 C ATOM 105 O ASP A 8 -15.563 6.521 0.435 1.00 0.67 O ATOM 106 CB ASP A 8 -15.724 4.355 2.635 1.00 0.64 C ATOM 107 CG ASP A 8 -14.804 4.639 3.823 1.00 0.51 C ATOM 108 OD1 ASP A 8 -14.590 5.804 4.116 1.00 0.97 O ATOM 109 OD2 ASP A 8 -14.328 3.688 4.419 1.00 1.42 O ATOM 0 HA ASP A 8 -16.956 5.987 3.319 1.00 0.72 H new ATOM 0 HB2 ASP A 8 -16.342 3.481 2.841 1.00 0.64 H new ATOM 0 HB3 ASP A 8 -15.131 4.124 1.750 1.00 0.64 H new ATOM 114 N ILE A 9 -15.386 7.667 2.301 1.00 0.64 N ATOM 115 CA ILE A 9 -14.594 8.734 1.625 1.00 0.62 C ATOM 116 C ILE A 9 -13.107 8.379 1.691 1.00 0.47 C ATOM 117 O ILE A 9 -12.308 8.866 0.916 1.00 0.48 O ATOM 118 CB ILE A 9 -14.832 10.070 2.330 1.00 0.67 C ATOM 119 CG1 ILE A 9 -14.250 11.203 1.483 1.00 0.91 C ATOM 120 CG2 ILE A 9 -14.146 10.055 3.698 1.00 0.40 C ATOM 121 CD1 ILE A 9 -14.512 12.543 2.172 1.00 0.71 C ATOM 0 H ILE A 9 -15.557 7.817 3.295 1.00 0.64 H new ATOM 0 HA ILE A 9 -14.904 8.815 0.583 1.00 0.62 H new ATOM 0 HB ILE A 9 -15.903 10.225 2.461 1.00 0.67 H new ATOM 0 HG12 ILE A 9 -13.179 11.056 1.347 1.00 0.91 H new ATOM 0 HG13 ILE A 9 -14.701 11.198 0.491 1.00 0.91 H new ATOM 0 HG21 ILE A 9 -14.316 11.007 4.201 1.00 0.40 H new ATOM 0 HG22 ILE A 9 -14.558 9.247 4.303 1.00 0.40 H new ATOM 0 HG23 ILE A 9 -13.075 9.900 3.566 1.00 0.40 H new ATOM 0 HD11 ILE A 9 -14.097 13.350 1.568 1.00 0.71 H new ATOM 0 HD12 ILE A 9 -15.586 12.690 2.285 1.00 0.71 H new ATOM 0 HD13 ILE A 9 -14.040 12.545 3.154 1.00 0.71 H new ATOM 133 N THR A 10 -12.730 7.533 2.609 1.00 0.36 N ATOM 134 CA THR A 10 -11.295 7.146 2.724 1.00 0.22 C ATOM 135 C THR A 10 -10.849 6.463 1.430 1.00 0.22 C ATOM 136 O THR A 10 -9.813 6.776 0.878 1.00 0.19 O ATOM 137 CB THR A 10 -11.120 6.181 3.898 1.00 0.18 C ATOM 138 OG1 THR A 10 -11.934 6.604 4.983 1.00 0.21 O ATOM 139 CG2 THR A 10 -9.653 6.165 4.335 1.00 0.17 C ATOM 0 H THR A 10 -13.354 7.092 3.285 1.00 0.36 H new ATOM 0 HA THR A 10 -10.689 8.036 2.893 1.00 0.22 H new ATOM 0 HB THR A 10 -11.416 5.178 3.590 1.00 0.18 H new ATOM 0 HG1 THR A 10 -12.839 6.244 4.873 1.00 0.21 H new ATOM 0 HG21 THR A 10 -9.530 5.477 5.171 1.00 0.17 H new ATOM 0 HG22 THR A 10 -9.029 5.840 3.503 1.00 0.17 H new ATOM 0 HG23 THR A 10 -9.354 7.167 4.642 1.00 0.17 H new ATOM 147 N LEU A 11 -11.622 5.532 0.941 1.00 0.28 N ATOM 148 CA LEU A 11 -11.240 4.833 -0.317 1.00 0.28 C ATOM 149 C LEU A 11 -11.046 5.862 -1.431 1.00 0.30 C ATOM 150 O LEU A 11 -10.387 5.607 -2.420 1.00 0.28 O ATOM 151 CB LEU A 11 -12.347 3.853 -0.712 1.00 0.37 C ATOM 152 CG LEU A 11 -12.628 2.896 0.448 1.00 0.37 C ATOM 153 CD1 LEU A 11 -13.754 1.937 0.058 1.00 0.60 C ATOM 154 CD2 LEU A 11 -11.364 2.092 0.768 1.00 0.38 C ATOM 0 H LEU A 11 -12.501 5.226 1.359 1.00 0.28 H new ATOM 0 HA LEU A 11 -10.310 4.286 -0.162 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.253 4.399 -0.973 1.00 0.37 H new ATOM 0 HB3 LEU A 11 -12.049 3.290 -1.596 1.00 0.37 H new ATOM 0 HG LEU A 11 -12.925 3.470 1.325 1.00 0.37 H new ATOM 0 HD11 LEU A 11 -13.954 1.255 0.885 1.00 0.60 H new ATOM 0 HD12 LEU A 11 -14.655 2.507 -0.169 1.00 0.60 H new ATOM 0 HD13 LEU A 11 -13.456 1.365 -0.821 1.00 0.60 H new ATOM 0 HD21 LEU A 11 -11.566 1.411 1.595 1.00 0.38 H new ATOM 0 HD22 LEU A 11 -11.065 1.519 -0.110 1.00 0.38 H new ATOM 0 HD23 LEU A 11 -10.560 2.773 1.047 1.00 0.38 H new ATOM 166 N GLN A 12 -11.616 7.027 -1.281 1.00 0.36 N ATOM 167 CA GLN A 12 -11.464 8.073 -2.331 1.00 0.42 C ATOM 168 C GLN A 12 -10.096 8.746 -2.189 1.00 0.39 C ATOM 169 O GLN A 12 -9.234 8.605 -3.035 1.00 0.37 O ATOM 170 CB GLN A 12 -12.567 9.121 -2.171 1.00 0.53 C ATOM 171 CG GLN A 12 -12.611 10.011 -3.414 1.00 0.54 C ATOM 172 CD GLN A 12 -12.839 11.465 -2.993 1.00 0.30 C ATOM 173 OE1 GLN A 12 -13.838 12.061 -3.341 1.00 0.64 O ATOM 174 NE2 GLN A 12 -11.946 12.064 -2.253 1.00 1.71 N ATOM 0 H GLN A 12 -12.180 7.299 -0.476 1.00 0.36 H new ATOM 0 HA GLN A 12 -11.541 7.612 -3.316 1.00 0.42 H new ATOM 0 HB2 GLN A 12 -13.530 8.631 -2.027 1.00 0.53 H new ATOM 0 HB3 GLN A 12 -12.382 9.727 -1.284 1.00 0.53 H new ATOM 0 HG2 GLN A 12 -11.677 9.924 -3.970 1.00 0.54 H new ATOM 0 HG3 GLN A 12 -13.410 9.685 -4.080 1.00 0.54 H new ATOM 0 HE21 GLN A 12 -11.107 11.563 -1.961 1.00 1.71 H new ATOM 0 HE22 GLN A 12 -12.087 13.033 -1.967 1.00 1.71 H new ATOM 183 N GLU A 13 -9.891 9.476 -1.128 1.00 0.40 N ATOM 184 CA GLU A 13 -8.579 10.156 -0.936 1.00 0.43 C ATOM 185 C GLU A 13 -7.454 9.124 -1.040 1.00 0.34 C ATOM 186 O GLU A 13 -6.325 9.450 -1.348 1.00 0.37 O ATOM 187 CB GLU A 13 -8.543 10.825 0.440 1.00 0.47 C ATOM 188 CG GLU A 13 -8.285 9.773 1.522 1.00 0.35 C ATOM 189 CD GLU A 13 -6.778 9.601 1.718 1.00 1.16 C ATOM 190 OE1 GLU A 13 -6.125 10.585 2.024 1.00 1.75 O ATOM 191 OE2 GLU A 13 -6.302 8.489 1.559 1.00 2.03 O ATOM 0 H GLU A 13 -10.574 9.631 -0.386 1.00 0.40 H new ATOM 0 HA GLU A 13 -8.446 10.916 -1.706 1.00 0.43 H new ATOM 0 HB2 GLU A 13 -7.762 11.585 0.465 1.00 0.47 H new ATOM 0 HB3 GLU A 13 -9.488 11.333 0.632 1.00 0.47 H new ATOM 0 HG2 GLU A 13 -8.752 10.077 2.459 1.00 0.35 H new ATOM 0 HG3 GLU A 13 -8.736 8.823 1.235 1.00 0.35 H new ATOM 198 N ILE A 14 -7.754 7.879 -0.787 1.00 0.25 N ATOM 199 CA ILE A 14 -6.702 6.827 -0.874 1.00 0.18 C ATOM 200 C ILE A 14 -6.322 6.614 -2.340 1.00 0.15 C ATOM 201 O ILE A 14 -5.176 6.746 -2.721 1.00 0.18 O ATOM 202 CB ILE A 14 -7.236 5.518 -0.290 1.00 0.10 C ATOM 203 CG1 ILE A 14 -7.162 5.574 1.238 1.00 0.12 C ATOM 204 CG2 ILE A 14 -6.389 4.350 -0.798 1.00 0.09 C ATOM 205 CD1 ILE A 14 -7.961 4.412 1.833 1.00 0.06 C ATOM 0 H ILE A 14 -8.681 7.545 -0.524 1.00 0.25 H new ATOM 0 HA ILE A 14 -5.824 7.142 -0.310 1.00 0.18 H new ATOM 0 HB ILE A 14 -8.272 5.378 -0.600 1.00 0.10 H new ATOM 0 HG12 ILE A 14 -6.123 5.519 1.564 1.00 0.12 H new ATOM 0 HG13 ILE A 14 -7.559 6.523 1.597 1.00 0.12 H new ATOM 0 HG21 ILE A 14 -6.769 3.417 -0.382 1.00 0.09 H new ATOM 0 HG22 ILE A 14 -6.440 4.310 -1.886 1.00 0.09 H new ATOM 0 HG23 ILE A 14 -5.353 4.490 -0.488 1.00 0.09 H new ATOM 0 HD11 ILE A 14 -7.907 4.453 2.921 1.00 0.06 H new ATOM 0 HD12 ILE A 14 -9.002 4.487 1.518 1.00 0.06 H new ATOM 0 HD13 ILE A 14 -7.544 3.467 1.485 1.00 0.06 H new ATOM 217 N ILE A 15 -7.277 6.286 -3.168 1.00 0.14 N ATOM 218 CA ILE A 15 -6.971 6.068 -4.609 1.00 0.12 C ATOM 219 C ILE A 15 -6.116 7.226 -5.126 1.00 0.12 C ATOM 220 O ILE A 15 -5.071 7.025 -5.715 1.00 0.04 O ATOM 221 CB ILE A 15 -8.276 6.002 -5.405 1.00 0.16 C ATOM 222 CG1 ILE A 15 -9.001 4.693 -5.087 1.00 0.13 C ATOM 223 CG2 ILE A 15 -7.966 6.062 -6.901 1.00 0.18 C ATOM 224 CD1 ILE A 15 -10.437 4.763 -5.611 1.00 0.23 C ATOM 0 H ILE A 15 -8.255 6.160 -2.908 1.00 0.14 H new ATOM 0 HA ILE A 15 -6.427 5.131 -4.728 1.00 0.12 H new ATOM 0 HB ILE A 15 -8.910 6.845 -5.132 1.00 0.16 H new ATOM 0 HG12 ILE A 15 -8.476 3.854 -5.545 1.00 0.13 H new ATOM 0 HG13 ILE A 15 -9.004 4.519 -4.011 1.00 0.13 H new ATOM 0 HG21 ILE A 15 -8.896 6.015 -7.467 1.00 0.18 H new ATOM 0 HG22 ILE A 15 -7.449 6.994 -7.128 1.00 0.18 H new ATOM 0 HG23 ILE A 15 -7.331 5.219 -7.175 1.00 0.18 H new ATOM 0 HD11 ILE A 15 -10.953 3.830 -5.384 1.00 0.23 H new ATOM 0 HD12 ILE A 15 -10.959 5.592 -5.133 1.00 0.23 H new ATOM 0 HD13 ILE A 15 -10.423 4.917 -6.690 1.00 0.23 H new ATOM 236 N LYS A 16 -6.548 8.438 -4.910 1.00 0.21 N ATOM 237 CA LYS A 16 -5.757 9.606 -5.386 1.00 0.22 C ATOM 238 C LYS A 16 -4.336 9.519 -4.828 1.00 0.19 C ATOM 239 O LYS A 16 -3.376 9.859 -5.489 1.00 0.18 O ATOM 240 CB LYS A 16 -6.416 10.900 -4.904 1.00 0.31 C ATOM 241 CG LYS A 16 -7.873 10.937 -5.369 1.00 1.12 C ATOM 242 CD LYS A 16 -8.539 12.218 -4.864 1.00 1.10 C ATOM 243 CE LYS A 16 -9.990 12.264 -5.346 1.00 1.86 C ATOM 244 NZ LYS A 16 -10.211 13.506 -6.141 1.00 1.96 N ATOM 0 H LYS A 16 -7.415 8.669 -4.424 1.00 0.21 H new ATOM 0 HA LYS A 16 -5.721 9.601 -6.475 1.00 0.22 H new ATOM 0 HB2 LYS A 16 -6.369 10.961 -3.817 1.00 0.31 H new ATOM 0 HB3 LYS A 16 -5.877 11.763 -5.295 1.00 0.31 H new ATOM 0 HG2 LYS A 16 -7.919 10.895 -6.457 1.00 1.12 H new ATOM 0 HG3 LYS A 16 -8.408 10.064 -4.994 1.00 1.12 H new ATOM 0 HD2 LYS A 16 -8.505 12.253 -3.775 1.00 1.10 H new ATOM 0 HD3 LYS A 16 -7.996 13.090 -5.228 1.00 1.10 H new ATOM 0 HE2 LYS A 16 -10.210 11.386 -5.954 1.00 1.86 H new ATOM 0 HE3 LYS A 16 -10.669 12.240 -4.493 1.00 1.86 H new ATOM 0 HZ1 LYS A 16 -11.197 13.537 -6.469 1.00 1.96 H new ATOM 0 HZ2 LYS A 16 -10.017 14.337 -5.547 1.00 1.96 H new ATOM 0 HZ3 LYS A 16 -9.573 13.511 -6.962 1.00 1.96 H new ATOM 258 N THR A 17 -4.194 9.063 -3.613 1.00 0.23 N ATOM 259 CA THR A 17 -2.836 8.950 -3.013 1.00 0.23 C ATOM 260 C THR A 17 -2.004 7.952 -3.819 1.00 0.17 C ATOM 261 O THR A 17 -0.879 8.223 -4.191 1.00 0.20 O ATOM 262 CB THR A 17 -2.958 8.464 -1.567 1.00 0.29 C ATOM 263 OG1 THR A 17 -3.957 9.219 -0.897 1.00 0.49 O ATOM 264 CG2 THR A 17 -1.617 8.641 -0.852 1.00 0.41 C ATOM 0 H THR A 17 -4.961 8.764 -3.011 1.00 0.23 H new ATOM 0 HA THR A 17 -2.348 9.925 -3.029 1.00 0.23 H new ATOM 0 HB THR A 17 -3.234 7.410 -1.561 1.00 0.29 H new ATOM 0 HG1 THR A 17 -4.837 8.825 -1.072 1.00 0.49 H new ATOM 0 HG21 THR A 17 -1.705 8.295 0.178 1.00 0.41 H new ATOM 0 HG22 THR A 17 -0.851 8.060 -1.366 1.00 0.41 H new ATOM 0 HG23 THR A 17 -1.338 9.695 -0.858 1.00 0.41 H new ATOM 272 N LEU A 18 -2.547 6.797 -4.095 1.00 0.11 N ATOM 273 CA LEU A 18 -1.787 5.784 -4.878 1.00 0.10 C ATOM 274 C LEU A 18 -1.230 6.435 -6.145 1.00 0.14 C ATOM 275 O LEU A 18 -0.096 6.215 -6.520 1.00 0.23 O ATOM 276 CB LEU A 18 -2.718 4.632 -5.264 1.00 0.04 C ATOM 277 CG LEU A 18 -3.414 4.094 -4.012 1.00 0.26 C ATOM 278 CD1 LEU A 18 -4.339 2.939 -4.399 1.00 0.15 C ATOM 279 CD2 LEU A 18 -2.363 3.592 -3.018 1.00 0.54 C ATOM 0 H LEU A 18 -3.484 6.512 -3.811 1.00 0.11 H new ATOM 0 HA LEU A 18 -0.965 5.399 -4.274 1.00 0.10 H new ATOM 0 HB2 LEU A 18 -3.459 4.976 -5.985 1.00 0.04 H new ATOM 0 HB3 LEU A 18 -2.149 3.837 -5.746 1.00 0.04 H new ATOM 0 HG LEU A 18 -3.998 4.891 -3.552 1.00 0.26 H new ATOM 0 HD11 LEU A 18 -4.835 2.556 -3.507 1.00 0.15 H new ATOM 0 HD12 LEU A 18 -5.088 3.294 -5.106 1.00 0.15 H new ATOM 0 HD13 LEU A 18 -3.754 2.143 -4.859 1.00 0.15 H new ATOM 0 HD21 LEU A 18 -2.859 3.209 -2.126 1.00 0.54 H new ATOM 0 HD22 LEU A 18 -1.778 2.796 -3.478 1.00 0.54 H new ATOM 0 HD23 LEU A 18 -1.703 4.414 -2.741 1.00 0.54 H new ATOM 291 N ASN A 19 -2.019 7.236 -6.808 1.00 0.10 N ATOM 292 CA ASN A 19 -1.532 7.902 -8.049 1.00 0.17 C ATOM 293 C ASN A 19 -0.288 8.732 -7.727 1.00 0.21 C ATOM 294 O ASN A 19 0.734 8.615 -8.373 1.00 0.38 O ATOM 295 CB ASN A 19 -2.627 8.816 -8.601 1.00 0.17 C ATOM 296 CG ASN A 19 -3.734 7.966 -9.228 1.00 0.20 C ATOM 297 OD1 ASN A 19 -4.054 8.124 -10.390 1.00 1.22 O ATOM 298 ND2 ASN A 19 -4.336 7.064 -8.503 1.00 1.16 N ATOM 0 H ASN A 19 -2.979 7.458 -6.544 1.00 0.10 H new ATOM 0 HA ASN A 19 -1.282 7.146 -8.793 1.00 0.17 H new ATOM 0 HB2 ASN A 19 -3.037 9.434 -7.802 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -2.209 9.494 -9.345 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -5.075 6.492 -8.911 1.00 1.16 H new ATOM 0 HD22 ASN A 19 -4.068 6.931 -7.528 1.00 1.16 H new ATOM 305 N SER A 20 -0.366 9.574 -6.732 1.00 0.17 N ATOM 306 CA SER A 20 0.813 10.411 -6.371 1.00 0.21 C ATOM 307 C SER A 20 2.061 9.530 -6.294 1.00 0.23 C ATOM 308 O SER A 20 3.131 9.915 -6.719 1.00 0.31 O ATOM 309 CB SER A 20 0.571 11.071 -5.013 1.00 0.22 C ATOM 310 OG SER A 20 -0.273 12.203 -5.186 1.00 0.36 O ATOM 0 H SER A 20 -1.194 9.718 -6.154 1.00 0.17 H new ATOM 0 HA SER A 20 0.958 11.180 -7.129 1.00 0.21 H new ATOM 0 HB2 SER A 20 0.110 10.360 -4.327 1.00 0.22 H new ATOM 0 HB3 SER A 20 1.519 11.374 -4.569 1.00 0.22 H new ATOM 0 HG SER A 20 -0.432 12.628 -4.317 1.00 0.36 H new ATOM 316 N LEU A 21 1.933 8.349 -5.752 1.00 0.17 N ATOM 317 CA LEU A 21 3.114 7.446 -5.648 1.00 0.18 C ATOM 318 C LEU A 21 3.572 7.039 -7.050 1.00 0.22 C ATOM 319 O LEU A 21 4.751 7.011 -7.344 1.00 0.24 O ATOM 320 CB LEU A 21 2.730 6.196 -4.853 1.00 0.13 C ATOM 321 CG LEU A 21 3.036 6.414 -3.367 1.00 0.22 C ATOM 322 CD1 LEU A 21 2.404 5.289 -2.548 1.00 0.21 C ATOM 323 CD2 LEU A 21 4.553 6.420 -3.134 1.00 0.33 C ATOM 0 H LEU A 21 1.063 7.971 -5.377 1.00 0.17 H new ATOM 0 HA LEU A 21 3.926 7.966 -5.139 1.00 0.18 H new ATOM 0 HB2 LEU A 21 1.670 5.979 -4.988 1.00 0.13 H new ATOM 0 HB3 LEU A 21 3.282 5.333 -5.225 1.00 0.13 H new ATOM 0 HG LEU A 21 2.624 7.374 -3.057 1.00 0.22 H new ATOM 0 HD11 LEU A 21 2.621 5.443 -1.491 1.00 0.21 H new ATOM 0 HD12 LEU A 21 1.325 5.290 -2.701 1.00 0.21 H new ATOM 0 HD13 LEU A 21 2.815 4.331 -2.867 1.00 0.21 H new ATOM 0 HD21 LEU A 21 4.758 6.576 -2.075 1.00 0.33 H new ATOM 0 HD22 LEU A 21 4.973 5.465 -3.448 1.00 0.33 H new ATOM 0 HD23 LEU A 21 5.007 7.224 -3.713 1.00 0.33 H new ATOM 335 N THR A 22 2.651 6.720 -7.917 1.00 0.25 N ATOM 336 CA THR A 22 3.037 6.312 -9.297 1.00 0.31 C ATOM 337 C THR A 22 3.791 7.456 -9.976 1.00 0.37 C ATOM 338 O THR A 22 4.537 7.251 -10.913 1.00 0.47 O ATOM 339 CB THR A 22 1.778 5.981 -10.103 1.00 0.24 C ATOM 340 OG1 THR A 22 0.968 7.143 -10.213 1.00 0.21 O ATOM 341 CG2 THR A 22 0.993 4.874 -9.397 1.00 0.25 C ATOM 0 H THR A 22 1.648 6.724 -7.730 1.00 0.25 H new ATOM 0 HA THR A 22 3.679 5.433 -9.249 1.00 0.31 H new ATOM 0 HB THR A 22 2.063 5.642 -11.099 1.00 0.24 H new ATOM 0 HG1 THR A 22 1.210 7.779 -9.507 1.00 0.21 H new ATOM 0 HG21 THR A 22 0.097 4.640 -9.972 1.00 0.25 H new ATOM 0 HG22 THR A 22 1.615 3.983 -9.315 1.00 0.25 H new ATOM 0 HG23 THR A 22 0.707 5.210 -8.400 1.00 0.25 H new ATOM 349 N GLU A 23 3.604 8.662 -9.512 1.00 0.49 N ATOM 350 CA GLU A 23 4.313 9.816 -10.133 1.00 0.55 C ATOM 351 C GLU A 23 5.786 9.793 -9.721 1.00 0.55 C ATOM 352 O GLU A 23 6.654 10.222 -10.455 1.00 0.61 O ATOM 353 CB GLU A 23 3.671 11.123 -9.662 1.00 0.58 C ATOM 354 CG GLU A 23 2.191 11.134 -10.050 1.00 0.72 C ATOM 355 CD GLU A 23 1.697 12.578 -10.141 1.00 1.11 C ATOM 356 OE1 GLU A 23 2.250 13.418 -9.451 1.00 1.91 O ATOM 357 OE2 GLU A 23 0.773 12.821 -10.900 1.00 1.37 O ATOM 0 H GLU A 23 2.992 8.897 -8.731 1.00 0.49 H new ATOM 0 HA GLU A 23 4.239 9.746 -11.218 1.00 0.55 H new ATOM 0 HB2 GLU A 23 3.775 11.223 -8.582 1.00 0.58 H new ATOM 0 HB3 GLU A 23 4.182 11.974 -10.112 1.00 0.58 H new ATOM 0 HG2 GLU A 23 2.051 10.630 -11.006 1.00 0.72 H new ATOM 0 HG3 GLU A 23 1.607 10.585 -9.312 1.00 0.72 H new ATOM 364 N GLN A 24 6.075 9.295 -8.550 1.00 0.50 N ATOM 365 CA GLN A 24 7.491 9.241 -8.090 1.00 0.51 C ATOM 366 C GLN A 24 8.097 7.886 -8.462 1.00 0.52 C ATOM 367 O GLN A 24 7.430 6.870 -8.422 1.00 0.50 O ATOM 368 CB GLN A 24 7.542 9.424 -6.572 1.00 0.49 C ATOM 369 CG GLN A 24 7.571 10.917 -6.237 1.00 0.66 C ATOM 370 CD GLN A 24 6.479 11.639 -7.027 1.00 1.54 C ATOM 371 OE1 GLN A 24 5.385 11.833 -6.535 1.00 2.35 O ATOM 372 NE2 GLN A 24 6.730 12.049 -8.240 1.00 2.40 N ATOM 0 H GLN A 24 5.391 8.923 -7.891 1.00 0.50 H new ATOM 0 HA GLN A 24 8.060 10.037 -8.571 1.00 0.51 H new ATOM 0 HB2 GLN A 24 6.674 8.954 -6.109 1.00 0.49 H new ATOM 0 HB3 GLN A 24 8.426 8.932 -6.166 1.00 0.49 H new ATOM 0 HG2 GLN A 24 7.418 11.064 -5.168 1.00 0.66 H new ATOM 0 HG3 GLN A 24 8.548 11.336 -6.480 1.00 0.66 H new ATOM 0 HE21 GLN A 24 7.648 11.886 -8.654 1.00 2.40 H new ATOM 0 HE22 GLN A 24 6.008 12.532 -8.775 1.00 2.40 H new ATOM 381 N LYS A 25 9.354 7.867 -8.824 1.00 0.56 N ATOM 382 CA LYS A 25 10.012 6.580 -9.201 1.00 0.59 C ATOM 383 C LYS A 25 11.401 6.508 -8.563 1.00 0.57 C ATOM 384 O LYS A 25 12.180 7.438 -8.641 1.00 1.07 O ATOM 385 CB LYS A 25 10.153 6.503 -10.724 1.00 0.81 C ATOM 386 CG LYS A 25 8.789 6.727 -11.380 1.00 1.13 C ATOM 387 CD LYS A 25 8.664 8.188 -11.817 1.00 2.73 C ATOM 388 CE LYS A 25 7.292 8.415 -12.456 1.00 2.67 C ATOM 389 NZ LYS A 25 7.117 7.477 -13.602 1.00 1.63 N ATOM 0 H LYS A 25 9.955 8.690 -8.875 1.00 0.56 H new ATOM 0 HA LYS A 25 9.403 5.748 -8.847 1.00 0.59 H new ATOM 0 HB2 LYS A 25 10.862 7.254 -11.072 1.00 0.81 H new ATOM 0 HB3 LYS A 25 10.551 5.530 -11.013 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.676 6.068 -12.241 1.00 1.13 H new ATOM 0 HG3 LYS A 25 7.992 6.477 -10.680 1.00 1.13 H new ATOM 0 HD2 LYS A 25 8.790 8.847 -10.958 1.00 2.73 H new ATOM 0 HD3 LYS A 25 9.453 8.435 -12.527 1.00 2.73 H new ATOM 0 HE2 LYS A 25 6.505 8.257 -11.719 1.00 2.67 H new ATOM 0 HE3 LYS A 25 7.205 9.446 -12.799 1.00 2.67 H new ATOM 0 HZ1 LYS A 25 6.397 7.853 -14.251 1.00 1.63 H new ATOM 0 HZ2 LYS A 25 8.020 7.375 -14.108 1.00 1.63 H new ATOM 0 HZ3 LYS A 25 6.812 6.548 -13.247 1.00 1.63 H new ATOM 403 N THR A 26 11.717 5.409 -7.935 1.00 0.25 N ATOM 404 CA THR A 26 13.055 5.269 -7.294 1.00 0.17 C ATOM 405 C THR A 26 13.512 3.814 -7.400 1.00 0.13 C ATOM 406 O THR A 26 12.752 2.943 -7.774 1.00 0.24 O ATOM 407 CB THR A 26 12.959 5.669 -5.819 1.00 0.07 C ATOM 408 OG1 THR A 26 12.367 4.610 -5.081 1.00 0.10 O ATOM 409 CG2 THR A 26 12.104 6.929 -5.682 1.00 0.17 C ATOM 0 H THR A 26 11.104 4.599 -7.838 1.00 0.25 H new ATOM 0 HA THR A 26 13.773 5.916 -7.797 1.00 0.17 H new ATOM 0 HB THR A 26 13.958 5.869 -5.432 1.00 0.07 H new ATOM 0 HG1 THR A 26 11.420 4.809 -4.925 1.00 0.10 H new ATOM 0 HG21 THR A 26 12.038 7.211 -4.631 1.00 0.17 H new ATOM 0 HG22 THR A 26 12.560 7.741 -6.248 1.00 0.17 H new ATOM 0 HG23 THR A 26 11.104 6.734 -6.069 1.00 0.17 H new ATOM 417 N LEU A 27 14.746 3.538 -7.074 1.00 0.17 N ATOM 418 CA LEU A 27 15.235 2.134 -7.159 1.00 0.14 C ATOM 419 C LEU A 27 14.517 1.283 -6.111 1.00 0.05 C ATOM 420 O LEU A 27 14.638 0.074 -6.087 1.00 0.12 O ATOM 421 CB LEU A 27 16.749 2.098 -6.918 1.00 0.21 C ATOM 422 CG LEU A 27 17.059 2.443 -5.459 1.00 0.19 C ATOM 423 CD1 LEU A 27 17.386 1.161 -4.689 1.00 0.31 C ATOM 424 CD2 LEU A 27 18.263 3.387 -5.408 1.00 0.12 C ATOM 0 H LEU A 27 15.433 4.221 -6.754 1.00 0.17 H new ATOM 0 HA LEU A 27 15.026 1.734 -8.151 1.00 0.14 H new ATOM 0 HB2 LEU A 27 17.139 1.109 -7.156 1.00 0.21 H new ATOM 0 HB3 LEU A 27 17.247 2.806 -7.581 1.00 0.21 H new ATOM 0 HG LEU A 27 16.193 2.927 -5.007 1.00 0.19 H new ATOM 0 HD11 LEU A 27 17.607 1.407 -3.650 1.00 0.31 H new ATOM 0 HD12 LEU A 27 16.532 0.485 -4.728 1.00 0.31 H new ATOM 0 HD13 LEU A 27 18.253 0.677 -5.139 1.00 0.31 H new ATOM 0 HD21 LEU A 27 18.487 3.635 -4.371 1.00 0.12 H new ATOM 0 HD22 LEU A 27 19.127 2.899 -5.859 1.00 0.12 H new ATOM 0 HD23 LEU A 27 18.033 4.300 -5.958 1.00 0.12 H new ATOM 436 N CYS A 28 13.764 1.906 -5.246 1.00 0.07 N ATOM 437 CA CYS A 28 13.032 1.137 -4.200 1.00 0.14 C ATOM 438 C CYS A 28 11.868 0.384 -4.847 1.00 0.26 C ATOM 439 O CYS A 28 11.232 -0.446 -4.229 1.00 0.26 O ATOM 440 CB CYS A 28 12.489 2.102 -3.144 1.00 0.18 C ATOM 441 SG CYS A 28 13.031 1.570 -1.500 1.00 0.33 S ATOM 0 H CYS A 28 13.624 2.916 -5.219 1.00 0.07 H new ATOM 0 HA CYS A 28 13.710 0.426 -3.728 1.00 0.14 H new ATOM 0 HB2 CYS A 28 12.842 3.113 -3.345 1.00 0.18 H new ATOM 0 HB3 CYS A 28 11.400 2.130 -3.188 1.00 0.18 H new ATOM 446 N THR A 29 11.583 0.669 -6.089 1.00 0.38 N ATOM 447 CA THR A 29 10.460 -0.029 -6.776 1.00 0.51 C ATOM 448 C THR A 29 10.947 -1.376 -7.311 1.00 0.57 C ATOM 449 O THR A 29 10.182 -2.307 -7.468 1.00 0.64 O ATOM 450 CB THR A 29 9.960 0.831 -7.940 1.00 0.60 C ATOM 451 OG1 THR A 29 10.957 0.881 -8.951 1.00 0.55 O ATOM 452 CG2 THR A 29 9.664 2.247 -7.443 1.00 0.58 C ATOM 0 H THR A 29 12.080 1.355 -6.657 1.00 0.38 H new ATOM 0 HA THR A 29 9.647 -0.192 -6.068 1.00 0.51 H new ATOM 0 HB THR A 29 9.048 0.395 -8.348 1.00 0.60 H new ATOM 0 HG1 THR A 29 11.633 1.549 -8.711 1.00 0.55 H new ATOM 0 HG21 THR A 29 9.308 2.857 -8.273 1.00 0.58 H new ATOM 0 HG22 THR A 29 8.899 2.208 -6.668 1.00 0.58 H new ATOM 0 HG23 THR A 29 10.574 2.686 -7.033 1.00 0.58 H new ATOM 460 N GLU A 30 12.217 -1.489 -7.596 1.00 0.58 N ATOM 461 CA GLU A 30 12.751 -2.777 -8.122 1.00 0.68 C ATOM 462 C GLU A 30 12.873 -3.785 -6.978 1.00 0.52 C ATOM 463 O GLU A 30 13.480 -4.828 -7.121 1.00 0.50 O ATOM 464 CB GLU A 30 14.129 -2.541 -8.745 1.00 0.89 C ATOM 465 CG GLU A 30 14.023 -1.465 -9.827 1.00 1.35 C ATOM 466 CD GLU A 30 14.424 -2.058 -11.179 1.00 1.53 C ATOM 467 OE1 GLU A 30 13.700 -2.911 -11.666 1.00 2.31 O ATOM 468 OE2 GLU A 30 15.447 -1.650 -11.704 1.00 1.65 O ATOM 0 H GLU A 30 12.906 -0.745 -7.487 1.00 0.58 H new ATOM 0 HA GLU A 30 12.072 -3.169 -8.879 1.00 0.68 H new ATOM 0 HB2 GLU A 30 14.838 -2.231 -7.978 1.00 0.89 H new ATOM 0 HB3 GLU A 30 14.509 -3.468 -9.175 1.00 0.89 H new ATOM 0 HG2 GLU A 30 13.004 -1.081 -9.874 1.00 1.35 H new ATOM 0 HG3 GLU A 30 14.670 -0.623 -9.581 1.00 1.35 H new ATOM 475 N LEU A 31 12.301 -3.484 -5.845 1.00 0.54 N ATOM 476 CA LEU A 31 12.386 -4.427 -4.694 1.00 0.40 C ATOM 477 C LEU A 31 11.167 -5.351 -4.699 1.00 0.29 C ATOM 478 O LEU A 31 10.057 -4.928 -4.958 1.00 0.53 O ATOM 479 CB LEU A 31 12.416 -3.635 -3.385 1.00 0.35 C ATOM 480 CG LEU A 31 13.459 -2.519 -3.484 1.00 0.53 C ATOM 481 CD1 LEU A 31 13.573 -1.806 -2.136 1.00 0.52 C ATOM 482 CD2 LEU A 31 14.816 -3.120 -3.856 1.00 0.79 C ATOM 0 H LEU A 31 11.779 -2.626 -5.666 1.00 0.54 H new ATOM 0 HA LEU A 31 13.295 -5.022 -4.781 1.00 0.40 H new ATOM 0 HB2 LEU A 31 11.433 -3.211 -3.182 1.00 0.35 H new ATOM 0 HB3 LEU A 31 12.655 -4.297 -2.553 1.00 0.35 H new ATOM 0 HG LEU A 31 13.154 -1.805 -4.249 1.00 0.53 H new ATOM 0 HD11 LEU A 31 14.316 -1.011 -2.206 1.00 0.52 H new ATOM 0 HD12 LEU A 31 12.607 -1.377 -1.868 1.00 0.52 H new ATOM 0 HD13 LEU A 31 13.877 -2.520 -1.371 1.00 0.52 H new ATOM 0 HD21 LEU A 31 15.559 -2.325 -3.927 1.00 0.79 H new ATOM 0 HD22 LEU A 31 15.120 -3.834 -3.090 1.00 0.79 H new ATOM 0 HD23 LEU A 31 14.737 -3.629 -4.816 1.00 0.79 H new ATOM 494 N THR A 32 11.363 -6.608 -4.414 1.00 0.19 N ATOM 495 CA THR A 32 10.215 -7.556 -4.401 1.00 0.09 C ATOM 496 C THR A 32 9.603 -7.593 -3.000 1.00 0.27 C ATOM 497 O THR A 32 10.286 -7.419 -2.011 1.00 0.83 O ATOM 498 CB THR A 32 10.704 -8.957 -4.780 1.00 0.11 C ATOM 499 OG1 THR A 32 12.000 -9.167 -4.236 1.00 0.55 O ATOM 500 CG2 THR A 32 10.763 -9.083 -6.303 1.00 0.50 C ATOM 0 H THR A 32 12.269 -7.020 -4.189 1.00 0.19 H new ATOM 0 HA THR A 32 9.464 -7.227 -5.119 1.00 0.09 H new ATOM 0 HB THR A 32 10.016 -9.703 -4.382 1.00 0.11 H new ATOM 0 HG1 THR A 32 12.314 -10.064 -4.476 1.00 0.55 H new ATOM 0 HG21 THR A 32 11.111 -10.080 -6.572 1.00 0.50 H new ATOM 0 HG22 THR A 32 9.769 -8.920 -6.720 1.00 0.50 H new ATOM 0 HG23 THR A 32 11.451 -8.338 -6.703 1.00 0.50 H new ATOM 508 N VAL A 33 8.319 -7.815 -2.910 1.00 0.50 N ATOM 509 CA VAL A 33 7.654 -7.864 -1.575 1.00 0.54 C ATOM 510 C VAL A 33 6.609 -8.980 -1.567 1.00 0.30 C ATOM 511 O VAL A 33 6.060 -9.339 -2.590 1.00 0.64 O ATOM 512 CB VAL A 33 6.971 -6.523 -1.299 1.00 0.76 C ATOM 513 CG1 VAL A 33 8.022 -5.411 -1.262 1.00 1.34 C ATOM 514 CG2 VAL A 33 5.958 -6.230 -2.408 1.00 0.83 C ATOM 0 H VAL A 33 7.700 -7.965 -3.706 1.00 0.50 H new ATOM 0 HA VAL A 33 8.399 -8.059 -0.803 1.00 0.54 H new ATOM 0 HB VAL A 33 6.457 -6.568 -0.339 1.00 0.76 H new ATOM 0 HG11 VAL A 33 7.535 -4.456 -1.065 1.00 1.34 H new ATOM 0 HG12 VAL A 33 8.744 -5.619 -0.473 1.00 1.34 H new ATOM 0 HG13 VAL A 33 8.537 -5.365 -2.222 1.00 1.34 H new ATOM 0 HG21 VAL A 33 5.471 -5.275 -2.213 1.00 0.83 H new ATOM 0 HG22 VAL A 33 6.472 -6.185 -3.368 1.00 0.83 H new ATOM 0 HG23 VAL A 33 5.209 -7.021 -2.434 1.00 0.83 H new ATOM 524 N THR A 34 6.329 -9.534 -0.418 1.00 0.68 N ATOM 525 CA THR A 34 5.321 -10.628 -0.344 1.00 0.43 C ATOM 526 C THR A 34 4.017 -10.169 -1.002 1.00 0.32 C ATOM 527 O THR A 34 3.609 -9.033 -0.868 1.00 0.57 O ATOM 528 CB THR A 34 5.056 -10.979 1.122 1.00 0.38 C ATOM 529 OG1 THR A 34 6.265 -11.410 1.730 1.00 0.53 O ATOM 530 CG2 THR A 34 4.014 -12.096 1.201 1.00 0.31 C ATOM 0 H THR A 34 6.755 -9.276 0.472 1.00 0.68 H new ATOM 0 HA THR A 34 5.701 -11.506 -0.866 1.00 0.43 H new ATOM 0 HB THR A 34 4.681 -10.099 1.645 1.00 0.38 H new ATOM 0 HG1 THR A 34 6.097 -11.633 2.669 1.00 0.53 H new ATOM 0 HG21 THR A 34 3.826 -12.345 2.245 1.00 0.31 H new ATOM 0 HG22 THR A 34 3.087 -11.762 0.735 1.00 0.31 H new ATOM 0 HG23 THR A 34 4.386 -12.978 0.679 1.00 0.31 H new ATOM 538 N ASP A 35 3.360 -11.046 -1.711 1.00 0.47 N ATOM 539 CA ASP A 35 2.083 -10.662 -2.377 1.00 0.48 C ATOM 540 C ASP A 35 0.908 -11.012 -1.463 1.00 0.52 C ATOM 541 O ASP A 35 1.088 -11.437 -0.339 1.00 0.99 O ATOM 542 CB ASP A 35 1.948 -11.425 -3.697 1.00 0.50 C ATOM 543 CG ASP A 35 0.945 -10.707 -4.601 1.00 0.71 C ATOM 544 OD1 ASP A 35 1.111 -9.516 -4.808 1.00 1.84 O ATOM 545 OD2 ASP A 35 0.027 -11.359 -5.070 1.00 0.51 O ATOM 0 H ASP A 35 3.652 -12.012 -1.858 1.00 0.47 H new ATOM 0 HA ASP A 35 2.083 -9.590 -2.575 1.00 0.48 H new ATOM 0 HB2 ASP A 35 2.917 -11.491 -4.192 1.00 0.50 H new ATOM 0 HB3 ASP A 35 1.617 -12.446 -3.507 1.00 0.50 H new ATOM 550 N ILE A 36 -0.297 -10.834 -1.936 1.00 0.21 N ATOM 551 CA ILE A 36 -1.485 -11.156 -1.095 1.00 0.33 C ATOM 552 C ILE A 36 -2.607 -11.697 -1.982 1.00 0.31 C ATOM 553 O ILE A 36 -3.366 -12.558 -1.584 1.00 0.32 O ATOM 554 CB ILE A 36 -1.963 -9.890 -0.383 1.00 0.44 C ATOM 555 CG1 ILE A 36 -2.386 -8.849 -1.423 1.00 0.45 C ATOM 556 CG2 ILE A 36 -0.827 -9.322 0.469 1.00 0.45 C ATOM 557 CD1 ILE A 36 -2.632 -7.507 -0.733 1.00 0.51 C ATOM 0 H ILE A 36 -0.509 -10.479 -2.869 1.00 0.21 H new ATOM 0 HA ILE A 36 -1.213 -11.909 -0.355 1.00 0.33 H new ATOM 0 HB ILE A 36 -2.811 -10.133 0.257 1.00 0.44 H new ATOM 0 HG12 ILE A 36 -1.611 -8.743 -2.182 1.00 0.45 H new ATOM 0 HG13 ILE A 36 -3.291 -9.178 -1.935 1.00 0.45 H new ATOM 0 HG21 ILE A 36 -1.169 -8.420 0.976 1.00 0.45 H new ATOM 0 HG22 ILE A 36 -0.523 -10.062 1.210 1.00 0.45 H new ATOM 0 HG23 ILE A 36 0.021 -9.079 -0.171 1.00 0.45 H new ATOM 0 HD11 ILE A 36 -2.933 -6.767 -1.474 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.422 -7.619 0.010 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -1.717 -7.177 -0.242 1.00 0.51 H new ATOM 569 N PHE A 37 -2.720 -11.198 -3.183 1.00 0.28 N ATOM 570 CA PHE A 37 -3.793 -11.685 -4.094 1.00 0.29 C ATOM 571 C PHE A 37 -3.394 -13.045 -4.672 1.00 0.24 C ATOM 572 O PHE A 37 -4.183 -13.716 -5.306 1.00 0.24 O ATOM 573 CB PHE A 37 -3.988 -10.683 -5.233 1.00 0.28 C ATOM 574 CG PHE A 37 -4.200 -9.303 -4.660 1.00 0.35 C ATOM 575 CD1 PHE A 37 -5.454 -8.941 -4.153 1.00 0.56 C ATOM 576 CD2 PHE A 37 -3.143 -8.386 -4.633 1.00 0.25 C ATOM 577 CE1 PHE A 37 -5.651 -7.662 -3.621 1.00 0.63 C ATOM 578 CE2 PHE A 37 -3.340 -7.106 -4.101 1.00 0.35 C ATOM 579 CZ PHE A 37 -4.594 -6.744 -3.594 1.00 0.52 C ATOM 0 H PHE A 37 -2.115 -10.474 -3.572 1.00 0.28 H new ATOM 0 HA PHE A 37 -4.724 -11.787 -3.537 1.00 0.29 H new ATOM 0 HB2 PHE A 37 -3.116 -10.686 -5.888 1.00 0.28 H new ATOM 0 HB3 PHE A 37 -4.845 -10.971 -5.842 1.00 0.28 H new ATOM 0 HD1 PHE A 37 -6.269 -9.649 -4.173 1.00 0.56 H new ATOM 0 HD2 PHE A 37 -2.175 -8.666 -5.023 1.00 0.25 H new ATOM 0 HE1 PHE A 37 -6.619 -7.383 -3.231 1.00 0.63 H new ATOM 0 HE2 PHE A 37 -2.525 -6.398 -4.082 1.00 0.35 H new ATOM 0 HZ PHE A 37 -4.746 -5.757 -3.182 1.00 0.52 H new ATOM 589 N ALA A 38 -2.175 -13.456 -4.456 1.00 0.20 N ATOM 590 CA ALA A 38 -1.725 -14.772 -4.993 1.00 0.17 C ATOM 591 C ALA A 38 -1.938 -15.854 -3.932 1.00 0.29 C ATOM 592 O ALA A 38 -1.394 -16.937 -4.020 1.00 0.48 O ATOM 593 CB ALA A 38 -0.241 -14.696 -5.353 1.00 0.43 C ATOM 0 H ALA A 38 -1.471 -12.938 -3.931 1.00 0.20 H new ATOM 0 HA ALA A 38 -2.302 -15.018 -5.884 1.00 0.17 H new ATOM 0 HB1 ALA A 38 0.088 -15.658 -5.746 1.00 0.43 H new ATOM 0 HB2 ALA A 38 -0.089 -13.925 -6.108 1.00 0.43 H new ATOM 0 HB3 ALA A 38 0.337 -14.451 -4.462 1.00 0.43 H new ATOM 599 N ALA A 39 -2.726 -15.570 -2.931 1.00 0.30 N ATOM 600 CA ALA A 39 -2.971 -16.583 -1.866 1.00 0.57 C ATOM 601 C ALA A 39 -4.274 -16.249 -1.136 1.00 0.55 C ATOM 602 O ALA A 39 -4.451 -16.579 0.020 1.00 0.62 O ATOM 603 CB ALA A 39 -1.810 -16.568 -0.870 1.00 0.78 C ATOM 0 H ALA A 39 -3.210 -14.681 -2.805 1.00 0.30 H new ATOM 0 HA ALA A 39 -3.049 -17.572 -2.316 1.00 0.57 H new ATOM 0 HB1 ALA A 39 -1.989 -17.309 -0.091 1.00 0.78 H new ATOM 0 HB2 ALA A 39 -0.882 -16.805 -1.390 1.00 0.78 H new ATOM 0 HB3 ALA A 39 -1.731 -15.579 -0.419 1.00 0.78 H new ATOM 609 N SER A 40 -5.188 -15.597 -1.801 1.00 0.55 N ATOM 610 CA SER A 40 -6.478 -15.244 -1.145 1.00 0.54 C ATOM 611 C SER A 40 -7.507 -16.342 -1.417 1.00 0.54 C ATOM 612 O SER A 40 -8.134 -16.374 -2.457 1.00 0.42 O ATOM 613 CB SER A 40 -6.988 -13.916 -1.707 1.00 0.53 C ATOM 614 OG SER A 40 -8.312 -13.689 -1.243 1.00 0.84 O ATOM 0 H SER A 40 -5.097 -15.294 -2.771 1.00 0.55 H new ATOM 0 HA SER A 40 -6.325 -15.149 -0.070 1.00 0.54 H new ATOM 0 HB2 SER A 40 -6.336 -13.101 -1.394 1.00 0.53 H new ATOM 0 HB3 SER A 40 -6.971 -13.938 -2.797 1.00 0.53 H new ATOM 0 HG SER A 40 -8.282 -13.323 -0.335 1.00 0.84 H new ATOM 620 N LYS A 41 -7.685 -17.243 -0.491 1.00 0.72 N ATOM 621 CA LYS A 41 -8.673 -18.339 -0.697 1.00 0.77 C ATOM 622 C LYS A 41 -10.025 -17.924 -0.114 1.00 0.53 C ATOM 623 O LYS A 41 -10.850 -17.339 -0.787 1.00 0.74 O ATOM 624 CB LYS A 41 -8.182 -19.607 0.003 1.00 0.88 C ATOM 625 CG LYS A 41 -6.868 -20.066 -0.631 1.00 1.15 C ATOM 626 CD LYS A 41 -6.330 -21.279 0.131 1.00 1.50 C ATOM 627 CE LYS A 41 -5.432 -20.807 1.276 1.00 2.65 C ATOM 628 NZ LYS A 41 -5.434 -21.826 2.363 1.00 3.85 N ATOM 0 H LYS A 41 -7.189 -17.268 0.400 1.00 0.72 H new ATOM 0 HA LYS A 41 -8.783 -18.533 -1.764 1.00 0.77 H new ATOM 0 HB2 LYS A 41 -8.037 -19.415 1.066 1.00 0.88 H new ATOM 0 HB3 LYS A 41 -8.932 -20.394 -0.079 1.00 0.88 H new ATOM 0 HG2 LYS A 41 -7.027 -20.323 -1.678 1.00 1.15 H new ATOM 0 HG3 LYS A 41 -6.139 -19.256 -0.609 1.00 1.15 H new ATOM 0 HD2 LYS A 41 -7.157 -21.871 0.524 1.00 1.50 H new ATOM 0 HD3 LYS A 41 -5.768 -21.925 -0.543 1.00 1.50 H new ATOM 0 HE2 LYS A 41 -4.416 -20.648 0.914 1.00 2.65 H new ATOM 0 HE3 LYS A 41 -5.787 -19.850 1.659 1.00 2.65 H new ATOM 0 HZ1 LYS A 41 -4.823 -21.505 3.141 1.00 3.85 H new ATOM 0 HZ2 LYS A 41 -6.404 -21.956 2.715 1.00 3.85 H new ATOM 0 HZ3 LYS A 41 -5.076 -22.729 1.993 1.00 3.85 H new ATOM 642 N ASP A 42 -10.259 -18.223 1.135 1.00 0.29 N ATOM 643 CA ASP A 42 -11.557 -17.844 1.762 1.00 0.28 C ATOM 644 C ASP A 42 -11.415 -16.484 2.449 1.00 0.29 C ATOM 645 O ASP A 42 -12.297 -16.042 3.158 1.00 0.49 O ATOM 646 CB ASP A 42 -11.951 -18.900 2.797 1.00 0.38 C ATOM 647 CG ASP A 42 -10.738 -19.239 3.667 1.00 0.86 C ATOM 648 OD1 ASP A 42 -9.932 -18.353 3.895 1.00 1.97 O ATOM 649 OD2 ASP A 42 -10.637 -20.379 4.090 1.00 1.35 O ATOM 0 H ASP A 42 -9.608 -18.713 1.748 1.00 0.29 H new ATOM 0 HA ASP A 42 -12.327 -17.783 0.993 1.00 0.28 H new ATOM 0 HB2 ASP A 42 -12.766 -18.529 3.419 1.00 0.38 H new ATOM 0 HB3 ASP A 42 -12.315 -19.797 2.296 1.00 0.38 H new ATOM 654 N THR A 43 -10.312 -15.818 2.245 1.00 0.24 N ATOM 655 CA THR A 43 -10.116 -14.488 2.887 1.00 0.21 C ATOM 656 C THR A 43 -11.103 -13.484 2.292 1.00 0.24 C ATOM 657 O THR A 43 -11.233 -13.364 1.090 1.00 0.32 O ATOM 658 CB THR A 43 -8.684 -14.007 2.636 1.00 0.19 C ATOM 659 OG1 THR A 43 -8.582 -13.501 1.312 1.00 0.45 O ATOM 660 CG2 THR A 43 -7.712 -15.175 2.815 1.00 0.72 C ATOM 0 H THR A 43 -9.538 -16.137 1.662 1.00 0.24 H new ATOM 0 HA THR A 43 -10.288 -14.573 3.960 1.00 0.21 H new ATOM 0 HB THR A 43 -8.435 -13.219 3.347 1.00 0.19 H new ATOM 0 HG1 THR A 43 -9.440 -13.110 1.044 1.00 0.45 H new ATOM 0 HG21 THR A 43 -6.693 -14.831 2.636 1.00 0.72 H new ATOM 0 HG22 THR A 43 -7.791 -15.562 3.831 1.00 0.72 H new ATOM 0 HG23 THR A 43 -7.958 -15.965 2.106 1.00 0.72 H new ATOM 668 N THR A 44 -11.801 -12.759 3.123 1.00 0.30 N ATOM 669 CA THR A 44 -12.778 -11.762 2.603 1.00 0.35 C ATOM 670 C THR A 44 -12.039 -10.484 2.202 1.00 0.43 C ATOM 671 O THR A 44 -10.943 -10.528 1.678 1.00 0.99 O ATOM 672 CB THR A 44 -13.803 -11.437 3.692 1.00 0.24 C ATOM 673 OG1 THR A 44 -13.147 -10.820 4.790 1.00 0.34 O ATOM 674 CG2 THR A 44 -14.482 -12.726 4.159 1.00 0.72 C ATOM 0 H THR A 44 -11.737 -12.814 4.139 1.00 0.30 H new ATOM 0 HA THR A 44 -13.289 -12.174 1.733 1.00 0.35 H new ATOM 0 HB THR A 44 -14.556 -10.758 3.291 1.00 0.24 H new ATOM 0 HG1 THR A 44 -13.803 -10.610 5.487 1.00 0.34 H new ATOM 0 HG21 THR A 44 -15.212 -12.493 4.934 1.00 0.72 H new ATOM 0 HG22 THR A 44 -14.987 -13.197 3.316 1.00 0.72 H new ATOM 0 HG23 THR A 44 -13.732 -13.408 4.560 1.00 0.72 H new ATOM 682 N GLU A 45 -12.629 -9.346 2.441 1.00 0.39 N ATOM 683 CA GLU A 45 -11.960 -8.067 2.073 1.00 0.33 C ATOM 684 C GLU A 45 -11.155 -7.549 3.267 1.00 0.24 C ATOM 685 O GLU A 45 -10.124 -6.927 3.111 1.00 0.15 O ATOM 686 CB GLU A 45 -13.016 -7.031 1.683 1.00 0.37 C ATOM 687 CG GLU A 45 -14.267 -7.746 1.166 1.00 0.59 C ATOM 688 CD GLU A 45 -13.866 -8.764 0.097 1.00 1.77 C ATOM 689 OE1 GLU A 45 -13.562 -8.345 -1.008 1.00 2.40 O ATOM 690 OE2 GLU A 45 -13.871 -9.946 0.400 1.00 2.99 O ATOM 0 H GLU A 45 -13.546 -9.246 2.876 1.00 0.39 H new ATOM 0 HA GLU A 45 -11.291 -8.238 1.230 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -13.268 -6.411 2.544 1.00 0.37 H new ATOM 0 HB3 GLU A 45 -12.621 -6.365 0.915 1.00 0.37 H new ATOM 0 HG2 GLU A 45 -14.778 -8.248 1.988 1.00 0.59 H new ATOM 0 HG3 GLU A 45 -14.967 -7.022 0.750 1.00 0.59 H new ATOM 697 N LYS A 46 -11.619 -7.803 4.461 1.00 0.33 N ATOM 698 CA LYS A 46 -10.880 -7.324 5.663 1.00 0.33 C ATOM 699 C LYS A 46 -9.495 -7.972 5.702 1.00 0.33 C ATOM 700 O LYS A 46 -8.484 -7.298 5.701 1.00 0.35 O ATOM 701 CB LYS A 46 -11.657 -7.708 6.925 1.00 0.39 C ATOM 702 CG LYS A 46 -12.897 -6.821 7.050 1.00 0.50 C ATOM 703 CD LYS A 46 -12.601 -5.662 8.006 1.00 0.80 C ATOM 704 CE LYS A 46 -13.793 -4.702 8.029 1.00 1.03 C ATOM 705 NZ LYS A 46 -14.070 -4.221 6.647 1.00 1.96 N ATOM 0 H LYS A 46 -12.476 -8.321 4.655 1.00 0.33 H new ATOM 0 HA LYS A 46 -10.773 -6.240 5.616 1.00 0.33 H new ATOM 0 HB2 LYS A 46 -11.950 -8.757 6.879 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -11.024 -7.592 7.804 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -13.182 -6.435 6.071 1.00 0.50 H new ATOM 0 HG3 LYS A 46 -13.740 -7.405 7.420 1.00 0.50 H new ATOM 0 HD2 LYS A 46 -12.409 -6.044 9.009 1.00 0.80 H new ATOM 0 HD3 LYS A 46 -11.702 -5.135 7.688 1.00 0.80 H new ATOM 0 HE2 LYS A 46 -14.671 -5.205 8.433 1.00 1.03 H new ATOM 0 HE3 LYS A 46 -13.580 -3.857 8.684 1.00 1.03 H new ATOM 0 HZ1 LYS A 46 -14.597 -3.325 6.690 1.00 1.96 H new ATOM 0 HZ2 LYS A 46 -13.172 -4.070 6.145 1.00 1.96 H new ATOM 0 HZ3 LYS A 46 -14.635 -4.931 6.139 1.00 1.96 H new ATOM 719 N GLU A 47 -9.439 -9.276 5.738 1.00 0.32 N ATOM 720 CA GLU A 47 -8.119 -9.964 5.778 1.00 0.33 C ATOM 721 C GLU A 47 -7.265 -9.499 4.596 1.00 0.29 C ATOM 722 O GLU A 47 -6.063 -9.679 4.577 1.00 0.41 O ATOM 723 CB GLU A 47 -8.329 -11.477 5.689 1.00 0.31 C ATOM 724 CG GLU A 47 -8.649 -12.030 7.081 1.00 0.50 C ATOM 725 CD GLU A 47 -9.502 -13.292 6.945 1.00 1.31 C ATOM 726 OE1 GLU A 47 -8.984 -14.285 6.459 1.00 1.90 O ATOM 727 OE2 GLU A 47 -10.659 -13.246 7.329 1.00 2.03 O ATOM 0 H GLU A 47 -10.251 -9.894 5.741 1.00 0.32 H new ATOM 0 HA GLU A 47 -7.612 -9.721 6.712 1.00 0.33 H new ATOM 0 HB2 GLU A 47 -9.143 -11.702 5.000 1.00 0.31 H new ATOM 0 HB3 GLU A 47 -7.434 -11.957 5.292 1.00 0.31 H new ATOM 0 HG2 GLU A 47 -7.726 -12.258 7.614 1.00 0.50 H new ATOM 0 HG3 GLU A 47 -9.180 -11.281 7.668 1.00 0.50 H new ATOM 734 N THR A 48 -7.875 -8.902 3.610 1.00 0.20 N ATOM 735 CA THR A 48 -7.098 -8.426 2.431 1.00 0.18 C ATOM 736 C THR A 48 -6.387 -7.118 2.783 1.00 0.21 C ATOM 737 O THR A 48 -5.175 -7.057 2.850 1.00 0.44 O ATOM 738 CB THR A 48 -8.047 -8.190 1.254 1.00 0.18 C ATOM 739 OG1 THR A 48 -9.016 -9.228 1.214 1.00 0.19 O ATOM 740 CG2 THR A 48 -7.253 -8.180 -0.052 1.00 0.15 C ATOM 0 H THR A 48 -8.878 -8.723 3.570 1.00 0.20 H new ATOM 0 HA THR A 48 -6.359 -9.179 2.156 1.00 0.18 H new ATOM 0 HB THR A 48 -8.547 -7.230 1.378 1.00 0.18 H new ATOM 0 HG1 THR A 48 -9.546 -9.212 2.038 1.00 0.19 H new ATOM 0 HG21 THR A 48 -7.931 -8.012 -0.889 1.00 0.15 H new ATOM 0 HG22 THR A 48 -6.511 -7.382 -0.020 1.00 0.15 H new ATOM 0 HG23 THR A 48 -6.750 -9.139 -0.179 1.00 0.15 H new ATOM 748 N PHE A 49 -7.130 -6.070 3.009 1.00 0.11 N ATOM 749 CA PHE A 49 -6.496 -4.767 3.357 1.00 0.09 C ATOM 750 C PHE A 49 -5.476 -4.979 4.477 1.00 0.07 C ATOM 751 O PHE A 49 -4.537 -4.222 4.628 1.00 0.11 O ATOM 752 CB PHE A 49 -7.571 -3.784 3.824 1.00 0.10 C ATOM 753 CG PHE A 49 -8.652 -3.684 2.775 1.00 0.08 C ATOM 754 CD1 PHE A 49 -8.389 -3.045 1.558 1.00 0.11 C ATOM 755 CD2 PHE A 49 -9.918 -4.231 3.019 1.00 0.17 C ATOM 756 CE1 PHE A 49 -9.391 -2.952 0.584 1.00 0.19 C ATOM 757 CE2 PHE A 49 -10.921 -4.137 2.045 1.00 0.25 C ATOM 758 CZ PHE A 49 -10.657 -3.499 0.828 1.00 0.26 C ATOM 0 H PHE A 49 -8.149 -6.059 2.968 1.00 0.11 H new ATOM 0 HA PHE A 49 -5.992 -4.363 2.479 1.00 0.09 H new ATOM 0 HB2 PHE A 49 -7.997 -4.117 4.770 1.00 0.10 H new ATOM 0 HB3 PHE A 49 -7.130 -2.803 4.001 1.00 0.10 H new ATOM 0 HD1 PHE A 49 -7.413 -2.623 1.370 1.00 0.11 H new ATOM 0 HD2 PHE A 49 -10.121 -4.725 3.958 1.00 0.17 H new ATOM 0 HE1 PHE A 49 -9.188 -2.459 -0.355 1.00 0.19 H new ATOM 0 HE2 PHE A 49 -11.898 -4.557 2.234 1.00 0.25 H new ATOM 0 HZ PHE A 49 -11.430 -3.428 0.077 1.00 0.26 H new ATOM 768 N CYS A 50 -5.651 -6.004 5.267 1.00 0.18 N ATOM 769 CA CYS A 50 -4.693 -6.263 6.376 1.00 0.17 C ATOM 770 C CYS A 50 -3.402 -6.855 5.806 1.00 0.18 C ATOM 771 O CYS A 50 -2.340 -6.276 5.919 1.00 0.20 O ATOM 772 CB CYS A 50 -5.313 -7.251 7.367 1.00 0.15 C ATOM 773 SG CYS A 50 -4.042 -7.825 8.521 1.00 0.17 S ATOM 0 H CYS A 50 -6.417 -6.673 5.191 1.00 0.18 H new ATOM 0 HA CYS A 50 -4.469 -5.327 6.889 1.00 0.17 H new ATOM 0 HB2 CYS A 50 -6.126 -6.773 7.913 1.00 0.15 H new ATOM 0 HB3 CYS A 50 -5.743 -8.098 6.832 1.00 0.15 H new ATOM 778 N ARG A 51 -3.485 -8.006 5.196 1.00 0.17 N ATOM 779 CA ARG A 51 -2.262 -8.633 4.620 1.00 0.19 C ATOM 780 C ARG A 51 -1.486 -7.591 3.812 1.00 0.22 C ATOM 781 O ARG A 51 -0.274 -7.528 3.864 1.00 0.25 O ATOM 782 CB ARG A 51 -2.666 -9.791 3.705 1.00 0.18 C ATOM 783 CG ARG A 51 -2.874 -11.055 4.542 1.00 0.49 C ATOM 784 CD ARG A 51 -3.805 -12.014 3.797 1.00 0.23 C ATOM 785 NE ARG A 51 -3.207 -12.361 2.476 1.00 1.19 N ATOM 786 CZ ARG A 51 -3.664 -13.380 1.801 1.00 1.28 C ATOM 787 NH1 ARG A 51 -4.644 -14.095 2.283 1.00 0.63 N ATOM 788 NH2 ARG A 51 -3.141 -13.684 0.646 1.00 2.32 N ATOM 0 H ARG A 51 -4.346 -8.539 5.072 1.00 0.17 H new ATOM 0 HA ARG A 51 -1.632 -9.009 5.426 1.00 0.19 H new ATOM 0 HB2 ARG A 51 -3.582 -9.542 3.169 1.00 0.18 H new ATOM 0 HB3 ARG A 51 -1.894 -9.962 2.955 1.00 0.18 H new ATOM 0 HG2 ARG A 51 -1.916 -11.538 4.735 1.00 0.49 H new ATOM 0 HG3 ARG A 51 -3.301 -10.796 5.511 1.00 0.49 H new ATOM 0 HD2 ARG A 51 -3.961 -12.918 4.386 1.00 0.23 H new ATOM 0 HD3 ARG A 51 -4.782 -11.553 3.656 1.00 0.23 H new ATOM 0 HE ARG A 51 -2.441 -11.802 2.100 1.00 1.19 H new ATOM 0 HH11 ARG A 51 -5.052 -13.857 3.187 1.00 0.63 H new ATOM 0 HH12 ARG A 51 -5.002 -14.892 1.756 1.00 0.63 H new ATOM 0 HH21 ARG A 51 -2.375 -13.125 0.270 1.00 2.32 H new ATOM 0 HH22 ARG A 51 -3.498 -14.480 0.118 1.00 2.32 H new ATOM 802 N ALA A 52 -2.175 -6.772 3.065 1.00 0.20 N ATOM 803 CA ALA A 52 -1.476 -5.735 2.256 1.00 0.23 C ATOM 804 C ALA A 52 -0.720 -4.786 3.188 1.00 0.20 C ATOM 805 O ALA A 52 0.449 -4.512 2.995 1.00 0.26 O ATOM 806 CB ALA A 52 -2.504 -4.942 1.446 1.00 0.28 C ATOM 0 H ALA A 52 -3.191 -6.777 2.980 1.00 0.20 H new ATOM 0 HA ALA A 52 -0.772 -6.217 1.578 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.993 -4.183 0.854 1.00 0.28 H new ATOM 0 HB2 ALA A 52 -3.044 -5.618 0.782 1.00 0.28 H new ATOM 0 HB3 ALA A 52 -3.208 -4.460 2.124 1.00 0.28 H new ATOM 812 N ALA A 53 -1.376 -4.282 4.196 1.00 0.13 N ATOM 813 CA ALA A 53 -0.694 -3.352 5.139 1.00 0.10 C ATOM 814 C ALA A 53 0.513 -4.054 5.765 1.00 0.07 C ATOM 815 O ALA A 53 1.575 -3.481 5.901 1.00 0.02 O ATOM 816 CB ALA A 53 -1.670 -2.934 6.241 1.00 0.12 C ATOM 0 H ALA A 53 -2.355 -4.474 4.408 1.00 0.13 H new ATOM 0 HA ALA A 53 -0.359 -2.468 4.597 1.00 0.10 H new ATOM 0 HB1 ALA A 53 -1.170 -2.254 6.931 1.00 0.12 H new ATOM 0 HB2 ALA A 53 -2.529 -2.433 5.795 1.00 0.12 H new ATOM 0 HB3 ALA A 53 -2.007 -3.818 6.783 1.00 0.12 H new ATOM 822 N THR A 54 0.357 -5.293 6.145 1.00 0.11 N ATOM 823 CA THR A 54 1.496 -6.032 6.760 1.00 0.09 C ATOM 824 C THR A 54 2.727 -5.910 5.861 1.00 0.09 C ATOM 825 O THR A 54 3.812 -5.604 6.314 1.00 0.08 O ATOM 826 CB THR A 54 1.121 -7.508 6.917 1.00 0.11 C ATOM 827 OG1 THR A 54 -0.107 -7.610 7.624 1.00 0.12 O ATOM 828 CG2 THR A 54 2.221 -8.236 7.691 1.00 0.13 C ATOM 0 H THR A 54 -0.509 -5.825 6.056 1.00 0.11 H new ATOM 0 HA THR A 54 1.719 -5.608 7.739 1.00 0.09 H new ATOM 0 HB THR A 54 1.012 -7.963 5.932 1.00 0.11 H new ATOM 0 HG1 THR A 54 -0.349 -8.554 7.724 1.00 0.12 H new ATOM 0 HG21 THR A 54 1.953 -9.287 7.802 1.00 0.13 H new ATOM 0 HG22 THR A 54 3.162 -8.157 7.147 1.00 0.13 H new ATOM 0 HG23 THR A 54 2.333 -7.784 8.676 1.00 0.13 H new ATOM 836 N VAL A 55 2.569 -6.147 4.587 1.00 0.15 N ATOM 837 CA VAL A 55 3.729 -6.043 3.660 1.00 0.15 C ATOM 838 C VAL A 55 4.318 -4.633 3.737 1.00 0.19 C ATOM 839 O VAL A 55 5.452 -4.443 4.128 1.00 0.21 O ATOM 840 CB VAL A 55 3.267 -6.325 2.230 1.00 0.15 C ATOM 841 CG1 VAL A 55 4.448 -6.173 1.270 1.00 0.16 C ATOM 842 CG2 VAL A 55 2.722 -7.753 2.144 1.00 0.19 C ATOM 0 H VAL A 55 1.686 -6.408 4.149 1.00 0.15 H new ATOM 0 HA VAL A 55 4.489 -6.771 3.946 1.00 0.15 H new ATOM 0 HB VAL A 55 2.484 -5.618 1.956 1.00 0.15 H new ATOM 0 HG11 VAL A 55 4.117 -6.374 0.251 1.00 0.16 H new ATOM 0 HG12 VAL A 55 4.838 -5.157 1.331 1.00 0.16 H new ATOM 0 HG13 VAL A 55 5.232 -6.879 1.543 1.00 0.16 H new ATOM 0 HG21 VAL A 55 2.392 -7.956 1.125 1.00 0.19 H new ATOM 0 HG22 VAL A 55 3.506 -8.459 2.419 1.00 0.19 H new ATOM 0 HG23 VAL A 55 1.879 -7.863 2.827 1.00 0.19 H new ATOM 852 N LEU A 56 3.556 -3.641 3.369 1.00 0.20 N ATOM 853 CA LEU A 56 4.075 -2.247 3.425 1.00 0.25 C ATOM 854 C LEU A 56 4.734 -2.008 4.786 1.00 0.26 C ATOM 855 O LEU A 56 5.683 -1.260 4.906 1.00 0.32 O ATOM 856 CB LEU A 56 2.920 -1.260 3.238 1.00 0.26 C ATOM 857 CG LEU A 56 2.120 -1.632 1.988 1.00 0.24 C ATOM 858 CD1 LEU A 56 1.010 -0.603 1.769 1.00 0.30 C ATOM 859 CD2 LEU A 56 3.049 -1.643 0.771 1.00 0.45 C ATOM 0 H LEU A 56 2.598 -3.735 3.032 1.00 0.20 H new ATOM 0 HA LEU A 56 4.807 -2.099 2.631 1.00 0.25 H new ATOM 0 HB2 LEU A 56 2.271 -1.274 4.114 1.00 0.26 H new ATOM 0 HB3 LEU A 56 3.308 -0.245 3.145 1.00 0.26 H new ATOM 0 HG LEU A 56 1.681 -2.621 2.120 1.00 0.24 H new ATOM 0 HD11 LEU A 56 0.439 -0.867 0.879 1.00 0.30 H new ATOM 0 HD12 LEU A 56 0.348 -0.593 2.635 1.00 0.30 H new ATOM 0 HD13 LEU A 56 1.451 0.385 1.638 1.00 0.30 H new ATOM 0 HD21 LEU A 56 2.479 -1.908 -0.119 1.00 0.45 H new ATOM 0 HD22 LEU A 56 3.488 -0.654 0.640 1.00 0.45 H new ATOM 0 HD23 LEU A 56 3.842 -2.375 0.925 1.00 0.45 H new ATOM 871 N ARG A 57 4.238 -2.641 5.812 1.00 0.20 N ATOM 872 CA ARG A 57 4.831 -2.450 7.166 1.00 0.24 C ATOM 873 C ARG A 57 6.309 -2.849 7.148 1.00 0.24 C ATOM 874 O ARG A 57 7.186 -2.020 7.289 1.00 0.24 O ATOM 875 CB ARG A 57 4.081 -3.319 8.177 1.00 0.27 C ATOM 876 CG ARG A 57 4.230 -2.720 9.578 1.00 0.40 C ATOM 877 CD ARG A 57 3.480 -3.588 10.588 1.00 0.40 C ATOM 878 NE ARG A 57 4.457 -4.247 11.500 1.00 1.32 N ATOM 879 CZ ARG A 57 4.047 -4.788 12.614 1.00 1.40 C ATOM 880 NH1 ARG A 57 2.781 -4.751 12.930 1.00 0.65 N ATOM 881 NH2 ARG A 57 4.901 -5.367 13.412 1.00 2.33 N ATOM 0 H ARG A 57 3.447 -3.283 5.772 1.00 0.20 H new ATOM 0 HA ARG A 57 4.746 -1.401 7.450 1.00 0.24 H new ATOM 0 HB2 ARG A 57 3.027 -3.381 7.907 1.00 0.27 H new ATOM 0 HB3 ARG A 57 4.475 -4.335 8.161 1.00 0.27 H new ATOM 0 HG2 ARG A 57 5.284 -2.658 9.848 1.00 0.40 H new ATOM 0 HG3 ARG A 57 3.837 -1.703 9.594 1.00 0.40 H new ATOM 0 HD2 ARG A 57 2.785 -2.977 11.163 1.00 0.40 H new ATOM 0 HD3 ARG A 57 2.888 -4.340 10.068 1.00 0.40 H new ATOM 0 HE ARG A 57 5.446 -4.275 11.253 1.00 1.32 H new ATOM 0 HH11 ARG A 57 2.113 -4.299 12.306 1.00 0.65 H new ATOM 0 HH12 ARG A 57 2.460 -5.174 13.801 1.00 0.65 H new ATOM 0 HH21 ARG A 57 5.890 -5.397 13.165 1.00 2.33 H new ATOM 0 HH22 ARG A 57 4.580 -5.790 14.283 1.00 2.33 H new ATOM 895 N GLN A 58 6.592 -4.114 6.986 1.00 0.26 N ATOM 896 CA GLN A 58 8.013 -4.562 6.971 1.00 0.28 C ATOM 897 C GLN A 58 8.753 -3.920 5.793 1.00 0.32 C ATOM 898 O GLN A 58 9.949 -4.075 5.645 1.00 0.40 O ATOM 899 CB GLN A 58 8.070 -6.088 6.849 1.00 0.30 C ATOM 900 CG GLN A 58 7.854 -6.505 5.392 1.00 0.72 C ATOM 901 CD GLN A 58 9.198 -6.524 4.660 1.00 2.11 C ATOM 902 OE1 GLN A 58 10.062 -7.319 4.974 1.00 2.67 O ATOM 903 NE2 GLN A 58 9.411 -5.678 3.691 1.00 3.21 N ATOM 0 H GLN A 58 5.901 -4.855 6.864 1.00 0.26 H new ATOM 0 HA GLN A 58 8.493 -4.256 7.900 1.00 0.28 H new ATOM 0 HB2 GLN A 58 9.035 -6.453 7.201 1.00 0.30 H new ATOM 0 HB3 GLN A 58 7.307 -6.540 7.482 1.00 0.30 H new ATOM 0 HG2 GLN A 58 7.391 -7.491 5.350 1.00 0.72 H new ATOM 0 HG3 GLN A 58 7.171 -5.811 4.902 1.00 0.72 H new ATOM 0 HE21 GLN A 58 8.686 -5.011 3.428 1.00 3.21 H new ATOM 0 HE22 GLN A 58 10.303 -5.683 3.196 1.00 3.21 H new ATOM 912 N PHE A 59 8.056 -3.204 4.952 1.00 0.29 N ATOM 913 CA PHE A 59 8.734 -2.564 3.789 1.00 0.34 C ATOM 914 C PHE A 59 9.377 -1.242 4.220 1.00 0.34 C ATOM 915 O PHE A 59 10.571 -1.162 4.432 1.00 0.51 O ATOM 916 CB PHE A 59 7.716 -2.292 2.682 1.00 0.34 C ATOM 917 CG PHE A 59 8.437 -1.838 1.435 1.00 0.40 C ATOM 918 CD1 PHE A 59 9.078 -2.772 0.613 1.00 0.58 C ATOM 919 CD2 PHE A 59 8.465 -0.477 1.102 1.00 0.27 C ATOM 920 CE1 PHE A 59 9.745 -2.348 -0.542 1.00 0.63 C ATOM 921 CE2 PHE A 59 9.131 -0.053 -0.053 1.00 0.32 C ATOM 922 CZ PHE A 59 9.772 -0.988 -0.876 1.00 0.50 C ATOM 0 H PHE A 59 7.052 -3.035 5.019 1.00 0.29 H new ATOM 0 HA PHE A 59 9.506 -3.238 3.418 1.00 0.34 H new ATOM 0 HB2 PHE A 59 7.140 -3.193 2.474 1.00 0.34 H new ATOM 0 HB3 PHE A 59 7.008 -1.528 3.004 1.00 0.34 H new ATOM 0 HD1 PHE A 59 9.058 -3.821 0.870 1.00 0.58 H new ATOM 0 HD2 PHE A 59 7.972 0.245 1.737 1.00 0.27 H new ATOM 0 HE1 PHE A 59 10.239 -3.070 -1.176 1.00 0.63 H new ATOM 0 HE2 PHE A 59 9.151 0.996 -0.310 1.00 0.32 H new ATOM 0 HZ PHE A 59 10.287 -0.660 -1.767 1.00 0.50 H new ATOM 932 N TYR A 60 8.599 -0.199 4.344 1.00 0.18 N ATOM 933 CA TYR A 60 9.179 1.116 4.750 1.00 0.20 C ATOM 934 C TYR A 60 9.776 1.010 6.155 1.00 0.20 C ATOM 935 O TYR A 60 10.479 1.892 6.606 1.00 0.20 O ATOM 936 CB TYR A 60 8.087 2.191 4.733 1.00 0.25 C ATOM 937 CG TYR A 60 7.063 1.902 5.805 1.00 0.29 C ATOM 938 CD1 TYR A 60 7.324 2.241 7.139 1.00 0.30 C ATOM 939 CD2 TYR A 60 5.849 1.297 5.462 1.00 0.32 C ATOM 940 CE1 TYR A 60 6.371 1.972 8.129 1.00 0.34 C ATOM 941 CE2 TYR A 60 4.895 1.028 6.452 1.00 0.37 C ATOM 942 CZ TYR A 60 5.157 1.365 7.786 1.00 0.39 C ATOM 943 OH TYR A 60 4.218 1.101 8.761 1.00 0.44 O ATOM 0 H TYR A 60 7.592 -0.200 4.183 1.00 0.18 H new ATOM 0 HA TYR A 60 9.966 1.391 4.047 1.00 0.20 H new ATOM 0 HB2 TYR A 60 8.530 3.174 4.896 1.00 0.25 H new ATOM 0 HB3 TYR A 60 7.605 2.217 3.756 1.00 0.25 H new ATOM 0 HD1 TYR A 60 8.260 2.710 7.404 1.00 0.30 H new ATOM 0 HD2 TYR A 60 5.647 1.037 4.433 1.00 0.32 H new ATOM 0 HE1 TYR A 60 6.573 2.233 9.157 1.00 0.34 H new ATOM 0 HE2 TYR A 60 3.958 0.561 6.187 1.00 0.37 H new ATOM 0 HH TYR A 60 3.383 0.806 8.340 1.00 0.44 H new ATOM 953 N SER A 61 9.505 -0.057 6.852 1.00 0.21 N ATOM 954 CA SER A 61 10.064 -0.206 8.225 1.00 0.20 C ATOM 955 C SER A 61 11.485 -0.768 8.139 1.00 0.18 C ATOM 956 O SER A 61 12.389 -0.303 8.805 1.00 0.17 O ATOM 957 CB SER A 61 9.187 -1.159 9.036 1.00 0.20 C ATOM 958 OG SER A 61 7.864 -0.644 9.095 1.00 0.24 O ATOM 0 H SER A 61 8.922 -0.831 6.532 1.00 0.21 H new ATOM 0 HA SER A 61 10.087 0.768 8.714 1.00 0.20 H new ATOM 0 HB2 SER A 61 9.184 -2.148 8.578 1.00 0.20 H new ATOM 0 HB3 SER A 61 9.590 -1.275 10.042 1.00 0.20 H new ATOM 0 HG SER A 61 7.325 -1.045 8.382 1.00 0.24 H new ATOM 964 N HIS A 62 11.690 -1.766 7.323 1.00 0.20 N ATOM 965 CA HIS A 62 13.052 -2.357 7.195 1.00 0.19 C ATOM 966 C HIS A 62 13.823 -1.635 6.087 1.00 0.14 C ATOM 967 O HIS A 62 14.980 -1.296 6.243 1.00 0.32 O ATOM 968 CB HIS A 62 12.932 -3.842 6.848 1.00 0.23 C ATOM 969 CG HIS A 62 12.177 -4.554 7.937 1.00 0.38 C ATOM 970 ND1 HIS A 62 11.747 -3.904 9.083 1.00 1.32 N ATOM 971 CD2 HIS A 62 11.768 -5.857 8.069 1.00 0.94 C ATOM 972 CE1 HIS A 62 11.111 -4.811 9.848 1.00 1.28 C ATOM 973 NE2 HIS A 62 11.095 -6.018 9.275 1.00 0.99 N ATOM 0 H HIS A 62 10.973 -2.197 6.740 1.00 0.20 H new ATOM 0 HA HIS A 62 13.586 -2.245 8.139 1.00 0.19 H new ATOM 0 HB2 HIS A 62 12.417 -3.963 5.895 1.00 0.23 H new ATOM 0 HB3 HIS A 62 13.923 -4.280 6.732 1.00 0.23 H new ATOM 0 HD2 HIS A 62 11.942 -6.640 7.345 1.00 0.94 H new ATOM 0 HE1 HIS A 62 10.668 -4.590 10.808 1.00 1.28 H new ATOM 0 HE2 HIS A 62 10.679 -6.873 9.643 1.00 0.99 H new ATOM 981 N HIS A 63 13.195 -1.403 4.967 1.00 0.16 N ATOM 982 CA HIS A 63 13.894 -0.707 3.849 1.00 0.21 C ATOM 983 C HIS A 63 14.381 0.664 4.323 1.00 0.19 C ATOM 984 O HIS A 63 15.543 0.995 4.204 1.00 0.23 O ATOM 985 CB HIS A 63 12.929 -0.528 2.675 1.00 0.27 C ATOM 986 CG HIS A 63 12.534 -1.878 2.140 1.00 0.39 C ATOM 987 ND1 HIS A 63 12.661 -2.208 0.800 1.00 1.61 N ATOM 988 CD2 HIS A 63 12.012 -2.990 2.752 1.00 1.28 C ATOM 989 CE1 HIS A 63 12.224 -3.472 0.652 1.00 1.26 C ATOM 990 NE2 HIS A 63 11.818 -3.996 1.810 1.00 0.78 N ATOM 0 H HIS A 63 12.228 -1.665 4.777 1.00 0.16 H new ATOM 0 HA HIS A 63 14.748 -1.304 3.529 1.00 0.21 H new ATOM 0 HB2 HIS A 63 12.044 0.020 2.998 1.00 0.27 H new ATOM 0 HB3 HIS A 63 13.401 0.063 1.890 1.00 0.27 H new ATOM 0 HD2 HIS A 63 11.786 -3.072 3.805 1.00 1.28 H new ATOM 0 HE1 HIS A 63 12.204 -3.999 -0.291 1.00 1.26 H new ATOM 0 HE2 HIS A 63 11.446 -4.932 1.970 1.00 0.78 H new ATOM 998 N GLU A 64 13.500 1.465 4.857 1.00 0.15 N ATOM 999 CA GLU A 64 13.915 2.815 5.335 1.00 0.16 C ATOM 1000 C GLU A 64 15.186 2.689 6.178 1.00 0.18 C ATOM 1001 O GLU A 64 15.864 3.661 6.443 1.00 0.13 O ATOM 1002 CB GLU A 64 12.797 3.420 6.187 1.00 0.14 C ATOM 1003 CG GLU A 64 13.209 4.817 6.653 1.00 0.32 C ATOM 1004 CD GLU A 64 11.993 5.542 7.233 1.00 1.09 C ATOM 1005 OE1 GLU A 64 10.940 4.929 7.302 1.00 1.97 O ATOM 1006 OE2 GLU A 64 12.135 6.697 7.598 1.00 1.33 O ATOM 0 H GLU A 64 12.512 1.244 4.983 1.00 0.15 H new ATOM 0 HA GLU A 64 14.109 3.460 4.478 1.00 0.16 H new ATOM 0 HB2 GLU A 64 11.874 3.475 5.609 1.00 0.14 H new ATOM 0 HB3 GLU A 64 12.596 2.783 7.048 1.00 0.14 H new ATOM 0 HG2 GLU A 64 13.995 4.744 7.405 1.00 0.32 H new ATOM 0 HG3 GLU A 64 13.619 5.384 5.817 1.00 0.32 H new ATOM 1013 N LYS A 65 15.513 1.498 6.600 1.00 0.37 N ATOM 1014 CA LYS A 65 16.740 1.311 7.425 1.00 0.40 C ATOM 1015 C LYS A 65 17.918 0.952 6.517 1.00 0.37 C ATOM 1016 O LYS A 65 19.055 1.271 6.804 1.00 0.33 O ATOM 1017 CB LYS A 65 16.508 0.181 8.431 1.00 0.55 C ATOM 1018 CG LYS A 65 16.718 0.705 9.854 1.00 1.17 C ATOM 1019 CD LYS A 65 15.621 1.716 10.195 1.00 1.24 C ATOM 1020 CE LYS A 65 16.258 3.004 10.722 1.00 2.90 C ATOM 1021 NZ LYS A 65 15.197 3.899 11.262 1.00 3.29 N ATOM 0 H LYS A 65 14.984 0.647 6.409 1.00 0.37 H new ATOM 0 HA LYS A 65 16.963 2.235 7.959 1.00 0.40 H new ATOM 0 HB2 LYS A 65 15.497 -0.212 8.324 1.00 0.55 H new ATOM 0 HB3 LYS A 65 17.194 -0.643 8.232 1.00 0.55 H new ATOM 0 HG2 LYS A 65 16.698 -0.122 10.564 1.00 1.17 H new ATOM 0 HG3 LYS A 65 17.698 1.174 9.939 1.00 1.17 H new ATOM 0 HD2 LYS A 65 15.022 1.930 9.310 1.00 1.24 H new ATOM 0 HD3 LYS A 65 14.947 1.299 10.943 1.00 1.24 H new ATOM 0 HE2 LYS A 65 16.983 2.771 11.502 1.00 2.90 H new ATOM 0 HE3 LYS A 65 16.801 3.507 9.922 1.00 2.90 H new ATOM 0 HZ1 LYS A 65 15.630 4.774 11.620 1.00 3.29 H new ATOM 0 HZ2 LYS A 65 14.521 4.131 10.507 1.00 3.29 H new ATOM 0 HZ3 LYS A 65 14.698 3.417 12.037 1.00 3.29 H new ATOM 1035 N ASP A 66 17.657 0.293 5.422 1.00 0.41 N ATOM 1036 CA ASP A 66 18.763 -0.085 4.498 1.00 0.45 C ATOM 1037 C ASP A 66 19.310 1.171 3.816 1.00 0.33 C ATOM 1038 O ASP A 66 18.607 2.144 3.632 1.00 0.39 O ATOM 1039 CB ASP A 66 18.234 -1.052 3.436 1.00 0.68 C ATOM 1040 CG ASP A 66 19.385 -1.906 2.904 1.00 1.25 C ATOM 1041 OD1 ASP A 66 20.436 -1.349 2.638 1.00 2.28 O ATOM 1042 OD2 ASP A 66 19.195 -3.104 2.771 1.00 1.24 O ATOM 0 H ASP A 66 16.726 -0.000 5.127 1.00 0.41 H new ATOM 0 HA ASP A 66 19.560 -0.568 5.064 1.00 0.45 H new ATOM 0 HB2 ASP A 66 17.461 -1.691 3.863 1.00 0.68 H new ATOM 0 HB3 ASP A 66 17.773 -0.496 2.620 1.00 0.68 H new ATOM 1047 N THR A 67 20.562 1.157 3.444 1.00 0.34 N ATOM 1048 CA THR A 67 21.158 2.350 2.777 1.00 0.36 C ATOM 1049 C THR A 67 21.092 2.177 1.258 1.00 0.60 C ATOM 1050 O THR A 67 21.952 2.636 0.534 1.00 0.81 O ATOM 1051 CB THR A 67 22.619 2.499 3.208 1.00 0.30 C ATOM 1052 OG1 THR A 67 23.366 1.387 2.736 1.00 0.34 O ATOM 1053 CG2 THR A 67 22.699 2.558 4.734 1.00 0.43 C ATOM 0 H THR A 67 21.198 0.370 3.573 1.00 0.34 H new ATOM 0 HA THR A 67 20.599 3.241 3.065 1.00 0.36 H new ATOM 0 HB THR A 67 23.030 3.418 2.789 1.00 0.30 H new ATOM 0 HG1 THR A 67 24.302 1.482 3.010 1.00 0.34 H new ATOM 0 HG21 THR A 67 23.740 2.664 5.040 1.00 0.43 H new ATOM 0 HG22 THR A 67 22.126 3.412 5.096 1.00 0.43 H new ATOM 0 HG23 THR A 67 22.289 1.640 5.156 1.00 0.43 H new ATOM 1061 N ARG A 68 20.079 1.517 0.769 1.00 0.63 N ATOM 1062 CA ARG A 68 19.962 1.316 -0.704 1.00 0.87 C ATOM 1063 C ARG A 68 19.126 2.446 -1.307 1.00 0.81 C ATOM 1064 O ARG A 68 19.640 3.326 -1.971 1.00 1.18 O ATOM 1065 CB ARG A 68 19.282 -0.026 -0.985 1.00 1.03 C ATOM 1066 CG ARG A 68 20.161 -1.165 -0.466 1.00 1.08 C ATOM 1067 CD ARG A 68 20.483 -2.126 -1.614 1.00 1.29 C ATOM 1068 NE ARG A 68 21.211 -3.312 -1.080 1.00 1.02 N ATOM 1069 CZ ARG A 68 21.324 -4.389 -1.807 1.00 1.00 C ATOM 1070 NH1 ARG A 68 20.799 -4.429 -3.001 1.00 1.14 N ATOM 1071 NH2 ARG A 68 21.962 -5.427 -1.340 1.00 1.46 N ATOM 0 H ARG A 68 19.327 1.108 1.324 1.00 0.63 H new ATOM 0 HA ARG A 68 20.956 1.320 -1.151 1.00 0.87 H new ATOM 0 HB2 ARG A 68 18.305 -0.058 -0.503 1.00 1.03 H new ATOM 0 HB3 ARG A 68 19.113 -0.142 -2.055 1.00 1.03 H new ATOM 0 HG2 ARG A 68 21.083 -0.764 -0.044 1.00 1.08 H new ATOM 0 HG3 ARG A 68 19.649 -1.698 0.335 1.00 1.08 H new ATOM 0 HD2 ARG A 68 19.563 -2.442 -2.107 1.00 1.29 H new ATOM 0 HD3 ARG A 68 21.090 -1.621 -2.365 1.00 1.29 H new ATOM 0 HE ARG A 68 21.621 -3.281 -0.146 1.00 1.02 H new ATOM 0 HH11 ARG A 68 20.300 -3.618 -3.366 1.00 1.14 H new ATOM 0 HH12 ARG A 68 20.888 -5.271 -3.569 1.00 1.14 H new ATOM 0 HH21 ARG A 68 22.372 -5.396 -0.407 1.00 1.46 H new ATOM 0 HH22 ARG A 68 22.051 -6.269 -1.908 1.00 1.46 H new ATOM 1085 N CYS A 69 17.841 2.430 -1.084 1.00 0.52 N ATOM 1086 CA CYS A 69 16.970 3.503 -1.643 1.00 0.40 C ATOM 1087 C CYS A 69 17.444 4.864 -1.132 1.00 0.39 C ATOM 1088 O CYS A 69 16.930 5.896 -1.520 1.00 0.50 O ATOM 1089 CB CYS A 69 15.525 3.262 -1.205 1.00 0.34 C ATOM 1090 SG CYS A 69 15.047 1.565 -1.621 1.00 0.40 S ATOM 0 H CYS A 69 17.355 1.719 -0.538 1.00 0.52 H new ATOM 0 HA CYS A 69 17.026 3.489 -2.731 1.00 0.40 H new ATOM 0 HB2 CYS A 69 15.426 3.427 -0.132 1.00 0.34 H new ATOM 0 HB3 CYS A 69 14.860 3.971 -1.699 1.00 0.34 H new ATOM 1095 N LEU A 70 18.422 4.878 -0.267 1.00 0.28 N ATOM 1096 CA LEU A 70 18.932 6.173 0.268 1.00 0.28 C ATOM 1097 C LEU A 70 20.142 6.622 -0.556 1.00 0.46 C ATOM 1098 O LEU A 70 20.163 7.704 -1.105 1.00 0.57 O ATOM 1099 CB LEU A 70 19.349 5.995 1.729 1.00 0.30 C ATOM 1100 CG LEU A 70 18.229 5.294 2.500 1.00 0.42 C ATOM 1101 CD1 LEU A 70 18.607 5.203 3.980 1.00 0.60 C ATOM 1102 CD2 LEU A 70 16.933 6.094 2.355 1.00 1.15 C ATOM 0 H LEU A 70 18.891 4.047 0.093 1.00 0.28 H new ATOM 0 HA LEU A 70 18.147 6.926 0.205 1.00 0.28 H new ATOM 0 HB2 LEU A 70 20.266 5.409 1.787 1.00 0.30 H new ATOM 0 HB3 LEU A 70 19.561 6.965 2.178 1.00 0.30 H new ATOM 0 HG LEU A 70 18.085 4.291 2.099 1.00 0.42 H new ATOM 0 HD11 LEU A 70 17.809 4.704 4.529 1.00 0.60 H new ATOM 0 HD12 LEU A 70 19.531 4.634 4.085 1.00 0.60 H new ATOM 0 HD13 LEU A 70 18.751 6.206 4.381 1.00 0.60 H new ATOM 0 HD21 LEU A 70 16.134 5.595 2.904 1.00 1.15 H new ATOM 0 HD22 LEU A 70 17.078 7.097 2.756 1.00 1.15 H new ATOM 0 HD23 LEU A 70 16.662 6.160 1.301 1.00 1.15 H new ATOM 1114 N GLY A 71 21.150 5.798 -0.643 1.00 0.68 N ATOM 1115 CA GLY A 71 22.357 6.179 -1.429 1.00 1.01 C ATOM 1116 C GLY A 71 23.178 7.203 -0.645 1.00 0.96 C ATOM 1117 O GLY A 71 23.441 7.033 0.529 1.00 1.02 O ATOM 0 H GLY A 71 21.190 4.878 -0.204 1.00 0.68 H new ATOM 0 HA2 GLY A 71 22.961 5.296 -1.637 1.00 1.01 H new ATOM 0 HA3 GLY A 71 22.060 6.596 -2.391 1.00 1.01 H new ATOM 1121 N ALA A 72 23.585 8.266 -1.283 1.00 0.88 N ATOM 1122 CA ALA A 72 24.388 9.301 -0.572 1.00 0.94 C ATOM 1123 C ALA A 72 24.068 10.681 -1.150 1.00 0.81 C ATOM 1124 O ALA A 72 24.049 11.670 -0.444 1.00 0.90 O ATOM 1125 CB ALA A 72 25.878 9.003 -0.755 1.00 1.22 C ATOM 0 H ALA A 72 23.396 8.463 -2.266 1.00 0.88 H new ATOM 0 HA ALA A 72 24.142 9.287 0.490 1.00 0.94 H new ATOM 0 HB1 ALA A 72 26.467 9.759 -0.236 1.00 1.22 H new ATOM 0 HB2 ALA A 72 26.106 8.020 -0.343 1.00 1.22 H new ATOM 0 HB3 ALA A 72 26.124 9.018 -1.817 1.00 1.22 H new ATOM 1131 N THR A 73 23.819 10.757 -2.428 1.00 0.77 N ATOM 1132 CA THR A 73 23.502 12.074 -3.048 1.00 0.65 C ATOM 1133 C THR A 73 22.426 12.781 -2.221 1.00 0.46 C ATOM 1134 O THR A 73 21.777 12.182 -1.387 1.00 0.42 O ATOM 1135 CB THR A 73 22.989 11.856 -4.475 1.00 0.70 C ATOM 1136 OG1 THR A 73 23.432 10.592 -4.947 1.00 1.50 O ATOM 1137 CG2 THR A 73 23.526 12.961 -5.386 1.00 0.99 C ATOM 0 H THR A 73 23.821 9.964 -3.070 1.00 0.77 H new ATOM 0 HA THR A 73 24.401 12.689 -3.075 1.00 0.65 H new ATOM 0 HB THR A 73 21.899 11.884 -4.479 1.00 0.70 H new ATOM 0 HG1 THR A 73 23.103 10.450 -5.859 1.00 1.50 H new ATOM 0 HG21 THR A 73 23.161 12.805 -6.401 1.00 0.99 H new ATOM 0 HG22 THR A 73 23.185 13.930 -5.022 1.00 0.99 H new ATOM 0 HG23 THR A 73 24.616 12.936 -5.385 1.00 0.99 H new ATOM 1145 N ALA A 74 22.231 14.052 -2.446 1.00 0.34 N ATOM 1146 CA ALA A 74 21.198 14.795 -1.674 1.00 0.19 C ATOM 1147 C ALA A 74 19.858 14.722 -2.410 1.00 0.21 C ATOM 1148 O ALA A 74 18.817 15.006 -1.853 1.00 0.13 O ATOM 1149 CB ALA A 74 21.622 16.259 -1.531 1.00 0.21 C ATOM 0 H ALA A 74 22.743 14.607 -3.132 1.00 0.34 H new ATOM 0 HA ALA A 74 21.094 14.348 -0.685 1.00 0.19 H new ATOM 0 HB1 ALA A 74 20.866 16.803 -0.966 1.00 0.21 H new ATOM 0 HB2 ALA A 74 22.576 16.312 -1.006 1.00 0.21 H new ATOM 0 HB3 ALA A 74 21.727 16.706 -2.520 1.00 0.21 H new ATOM 1155 N GLN A 75 19.877 14.344 -3.659 1.00 0.55 N ATOM 1156 CA GLN A 75 18.603 14.254 -4.428 1.00 0.71 C ATOM 1157 C GLN A 75 17.921 12.917 -4.130 1.00 0.73 C ATOM 1158 O GLN A 75 16.718 12.786 -4.240 1.00 0.90 O ATOM 1159 CB GLN A 75 18.904 14.352 -5.926 1.00 0.88 C ATOM 1160 CG GLN A 75 19.312 12.977 -6.458 1.00 1.01 C ATOM 1161 CD GLN A 75 20.082 13.145 -7.770 1.00 1.28 C ATOM 1162 OE1 GLN A 75 21.059 13.865 -7.826 1.00 1.06 O ATOM 1163 NE2 GLN A 75 19.681 12.506 -8.834 1.00 2.20 N ATOM 0 H GLN A 75 20.718 14.094 -4.180 1.00 0.55 H new ATOM 0 HA GLN A 75 17.943 15.071 -4.136 1.00 0.71 H new ATOM 0 HB2 GLN A 75 18.026 14.714 -6.461 1.00 0.88 H new ATOM 0 HB3 GLN A 75 19.703 15.072 -6.100 1.00 0.88 H new ATOM 0 HG2 GLN A 75 19.931 12.460 -5.724 1.00 1.01 H new ATOM 0 HG3 GLN A 75 18.428 12.361 -6.619 1.00 1.01 H new ATOM 0 HE21 GLN A 75 18.861 11.901 -8.787 1.00 2.20 H new ATOM 0 HE22 GLN A 75 20.188 12.611 -9.713 1.00 2.20 H new ATOM 1172 N GLN A 76 18.679 11.924 -3.753 1.00 0.74 N ATOM 1173 CA GLN A 76 18.073 10.598 -3.448 1.00 0.79 C ATOM 1174 C GLN A 76 17.563 10.591 -2.007 1.00 0.57 C ATOM 1175 O GLN A 76 16.603 9.922 -1.680 1.00 0.52 O ATOM 1176 CB GLN A 76 19.128 9.503 -3.622 1.00 0.99 C ATOM 1177 CG GLN A 76 18.982 8.868 -5.007 1.00 1.16 C ATOM 1178 CD GLN A 76 20.160 7.927 -5.262 1.00 2.18 C ATOM 1179 OE1 GLN A 76 20.789 7.989 -6.302 1.00 2.73 O ATOM 1180 NE2 GLN A 76 20.489 7.051 -4.354 1.00 3.03 N ATOM 0 H GLN A 76 19.692 11.974 -3.643 1.00 0.74 H new ATOM 0 HA GLN A 76 17.242 10.412 -4.128 1.00 0.79 H new ATOM 0 HB2 GLN A 76 20.127 9.924 -3.507 1.00 0.99 H new ATOM 0 HB3 GLN A 76 19.011 8.744 -2.848 1.00 0.99 H new ATOM 0 HG2 GLN A 76 18.043 8.318 -5.070 1.00 1.16 H new ATOM 0 HG3 GLN A 76 18.949 9.643 -5.773 1.00 1.16 H new ATOM 0 HE21 GLN A 76 19.963 6.998 -3.482 1.00 3.03 H new ATOM 0 HE22 GLN A 76 21.273 6.419 -4.516 1.00 3.03 H new ATOM 1189 N PHE A 77 18.198 11.331 -1.140 1.00 0.48 N ATOM 1190 CA PHE A 77 17.750 11.369 0.280 1.00 0.39 C ATOM 1191 C PHE A 77 16.366 12.016 0.360 1.00 0.19 C ATOM 1192 O PHE A 77 15.493 11.552 1.068 1.00 0.25 O ATOM 1193 CB PHE A 77 18.745 12.186 1.107 1.00 0.47 C ATOM 1194 CG PHE A 77 18.409 12.053 2.573 1.00 0.53 C ATOM 1195 CD1 PHE A 77 18.789 10.906 3.278 1.00 0.57 C ATOM 1196 CD2 PHE A 77 17.717 13.080 3.228 1.00 0.56 C ATOM 1197 CE1 PHE A 77 18.479 10.783 4.637 1.00 0.64 C ATOM 1198 CE2 PHE A 77 17.407 12.958 4.587 1.00 0.64 C ATOM 1199 CZ PHE A 77 17.787 11.810 5.292 1.00 0.68 C ATOM 0 H PHE A 77 19.009 11.912 -1.354 1.00 0.48 H new ATOM 0 HA PHE A 77 17.699 10.354 0.673 1.00 0.39 H new ATOM 0 HB2 PHE A 77 19.761 11.837 0.923 1.00 0.47 H new ATOM 0 HB3 PHE A 77 18.709 13.234 0.808 1.00 0.47 H new ATOM 0 HD1 PHE A 77 19.322 10.114 2.773 1.00 0.57 H new ATOM 0 HD2 PHE A 77 17.423 13.966 2.684 1.00 0.56 H new ATOM 0 HE1 PHE A 77 18.773 9.897 5.180 1.00 0.64 H new ATOM 0 HE2 PHE A 77 16.874 13.750 5.092 1.00 0.64 H new ATOM 0 HZ PHE A 77 17.547 11.716 6.341 1.00 0.68 H new ATOM 1209 N HIS A 78 16.156 13.083 -0.362 1.00 0.27 N ATOM 1210 CA HIS A 78 14.828 13.756 -0.327 1.00 0.46 C ATOM 1211 C HIS A 78 13.822 12.936 -1.136 1.00 0.51 C ATOM 1212 O HIS A 78 12.715 12.688 -0.699 1.00 0.59 O ATOM 1213 CB HIS A 78 14.950 15.156 -0.934 1.00 0.65 C ATOM 1214 CG HIS A 78 13.612 15.840 -0.888 1.00 1.20 C ATOM 1215 ND1 HIS A 78 13.342 16.985 -1.621 1.00 1.89 N ATOM 1216 CD2 HIS A 78 12.458 15.554 -0.201 1.00 1.20 C ATOM 1217 CE1 HIS A 78 12.071 17.342 -1.361 1.00 2.28 C ATOM 1218 NE2 HIS A 78 11.486 16.503 -0.502 1.00 1.88 N ATOM 0 H HIS A 78 16.847 13.517 -0.974 1.00 0.27 H new ATOM 0 HA HIS A 78 14.487 13.836 0.705 1.00 0.46 H new ATOM 0 HB2 HIS A 78 15.688 15.740 -0.384 1.00 0.65 H new ATOM 0 HB3 HIS A 78 15.301 15.088 -1.964 1.00 0.65 H new ATOM 0 HD2 HIS A 78 12.325 14.719 0.471 1.00 1.20 H new ATOM 0 HE1 HIS A 78 11.583 18.203 -1.794 1.00 2.28 H new ATOM 0 HE2 HIS A 78 10.532 16.548 -0.144 1.00 1.88 H new ATOM 1226 N ARG A 79 14.197 12.511 -2.311 1.00 0.63 N ATOM 1227 CA ARG A 79 13.262 11.705 -3.146 1.00 0.74 C ATOM 1228 C ARG A 79 12.837 10.457 -2.372 1.00 0.58 C ATOM 1229 O ARG A 79 11.813 9.863 -2.644 1.00 0.70 O ATOM 1230 CB ARG A 79 13.965 11.287 -4.439 1.00 0.89 C ATOM 1231 CG ARG A 79 13.779 12.374 -5.500 1.00 1.38 C ATOM 1232 CD ARG A 79 12.498 12.102 -6.290 1.00 0.59 C ATOM 1233 NE ARG A 79 11.959 13.387 -6.820 1.00 1.33 N ATOM 1234 CZ ARG A 79 11.054 13.375 -7.759 1.00 2.29 C ATOM 1235 NH1 ARG A 79 10.619 12.240 -8.234 1.00 2.87 N ATOM 1236 NH2 ARG A 79 10.581 14.500 -8.224 1.00 2.89 N ATOM 0 H ARG A 79 15.111 12.687 -2.729 1.00 0.63 H new ATOM 0 HA ARG A 79 12.382 12.302 -3.387 1.00 0.74 H new ATOM 0 HB2 ARG A 79 15.027 11.126 -4.252 1.00 0.89 H new ATOM 0 HB3 ARG A 79 13.557 10.342 -4.797 1.00 0.89 H new ATOM 0 HG2 ARG A 79 13.725 13.354 -5.026 1.00 1.38 H new ATOM 0 HG3 ARG A 79 14.637 12.391 -6.172 1.00 1.38 H new ATOM 0 HD2 ARG A 79 12.703 11.415 -7.111 1.00 0.59 H new ATOM 0 HD3 ARG A 79 11.758 11.621 -5.650 1.00 0.59 H new ATOM 0 HE ARG A 79 12.298 14.275 -6.449 1.00 1.33 H new ATOM 0 HH11 ARG A 79 10.987 11.361 -7.871 1.00 2.87 H new ATOM 0 HH12 ARG A 79 9.911 12.232 -8.968 1.00 2.87 H new ATOM 0 HH21 ARG A 79 10.919 15.388 -7.853 1.00 2.89 H new ATOM 0 HH22 ARG A 79 9.873 14.491 -8.958 1.00 2.89 H new ATOM 1250 N HIS A 80 13.618 10.053 -1.407 1.00 0.33 N ATOM 1251 CA HIS A 80 13.260 8.843 -0.616 1.00 0.24 C ATOM 1252 C HIS A 80 12.370 9.246 0.562 1.00 0.10 C ATOM 1253 O HIS A 80 11.329 8.664 0.793 1.00 0.11 O ATOM 1254 CB HIS A 80 14.537 8.185 -0.089 1.00 0.33 C ATOM 1255 CG HIS A 80 14.180 6.948 0.687 1.00 0.40 C ATOM 1256 ND1 HIS A 80 13.874 5.748 0.065 1.00 0.37 N ATOM 1257 CD2 HIS A 80 14.075 6.709 2.035 1.00 0.57 C ATOM 1258 CE1 HIS A 80 13.603 4.849 1.028 1.00 0.55 C ATOM 1259 NE2 HIS A 80 13.711 5.382 2.248 1.00 0.65 N ATOM 0 H HIS A 80 14.488 10.509 -1.133 1.00 0.33 H new ATOM 0 HA HIS A 80 12.722 8.139 -1.251 1.00 0.24 H new ATOM 0 HB2 HIS A 80 15.196 7.929 -0.919 1.00 0.33 H new ATOM 0 HB3 HIS A 80 15.082 8.882 0.548 1.00 0.33 H new ATOM 0 HD2 HIS A 80 14.248 7.439 2.812 1.00 0.57 H new ATOM 0 HE1 HIS A 80 13.331 3.821 0.838 1.00 0.55 H new ATOM 0 HE2 HIS A 80 13.559 4.917 3.143 1.00 0.65 H new ATOM 1267 N LYS A 81 12.771 10.238 1.309 1.00 0.13 N ATOM 1268 CA LYS A 81 11.947 10.677 2.471 1.00 0.28 C ATOM 1269 C LYS A 81 10.503 10.898 2.018 1.00 0.31 C ATOM 1270 O LYS A 81 9.569 10.456 2.657 1.00 0.35 O ATOM 1271 CB LYS A 81 12.512 11.983 3.032 1.00 0.43 C ATOM 1272 CG LYS A 81 13.718 11.678 3.922 1.00 0.39 C ATOM 1273 CD LYS A 81 13.253 11.507 5.369 1.00 0.92 C ATOM 1274 CE LYS A 81 14.430 11.054 6.235 1.00 0.58 C ATOM 1275 NZ LYS A 81 14.635 12.027 7.344 1.00 1.05 N ATOM 0 H LYS A 81 13.633 10.763 1.165 1.00 0.13 H new ATOM 0 HA LYS A 81 11.971 9.909 3.244 1.00 0.28 H new ATOM 0 HB2 LYS A 81 12.806 12.644 2.217 1.00 0.43 H new ATOM 0 HB3 LYS A 81 11.747 12.506 3.606 1.00 0.43 H new ATOM 0 HG2 LYS A 81 14.216 10.771 3.579 1.00 0.39 H new ATOM 0 HG3 LYS A 81 14.446 12.486 3.856 1.00 0.39 H new ATOM 0 HD2 LYS A 81 12.851 12.447 5.746 1.00 0.92 H new ATOM 0 HD3 LYS A 81 12.448 10.774 5.419 1.00 0.92 H new ATOM 0 HE2 LYS A 81 14.236 10.061 6.640 1.00 0.58 H new ATOM 0 HE3 LYS A 81 15.334 10.981 5.630 1.00 0.58 H new ATOM 0 HZ1 LYS A 81 15.435 11.719 7.933 1.00 1.05 H new ATOM 0 HZ2 LYS A 81 14.838 12.967 6.948 1.00 1.05 H new ATOM 0 HZ3 LYS A 81 13.775 12.075 7.927 1.00 1.05 H new ATOM 1289 N GLN A 82 10.312 11.578 0.921 1.00 0.36 N ATOM 1290 CA GLN A 82 8.928 11.826 0.432 1.00 0.43 C ATOM 1291 C GLN A 82 8.230 10.489 0.178 1.00 0.41 C ATOM 1292 O GLN A 82 7.045 10.343 0.404 1.00 0.57 O ATOM 1293 CB GLN A 82 8.983 12.628 -0.871 1.00 0.47 C ATOM 1294 CG GLN A 82 7.833 13.637 -0.899 1.00 0.43 C ATOM 1295 CD GLN A 82 7.677 14.195 -2.315 1.00 1.01 C ATOM 1296 OE1 GLN A 82 6.932 13.659 -3.112 1.00 1.99 O ATOM 1297 NE2 GLN A 82 8.354 15.254 -2.665 1.00 1.25 N ATOM 0 H GLN A 82 11.054 11.972 0.343 1.00 0.36 H new ATOM 0 HA GLN A 82 8.373 12.389 1.182 1.00 0.43 H new ATOM 0 HB2 GLN A 82 9.938 13.147 -0.951 1.00 0.47 H new ATOM 0 HB3 GLN A 82 8.913 11.957 -1.727 1.00 0.47 H new ATOM 0 HG2 GLN A 82 6.907 13.158 -0.582 1.00 0.43 H new ATOM 0 HG3 GLN A 82 8.029 14.447 -0.197 1.00 0.43 H new ATOM 0 HE21 GLN A 82 8.979 15.704 -1.996 1.00 1.25 H new ATOM 0 HE22 GLN A 82 8.258 15.632 -3.607 1.00 1.25 H new ATOM 1306 N LEU A 83 8.955 9.511 -0.291 1.00 0.25 N ATOM 1307 CA LEU A 83 8.332 8.184 -0.560 1.00 0.24 C ATOM 1308 C LEU A 83 7.854 7.575 0.761 1.00 0.19 C ATOM 1309 O LEU A 83 6.676 7.358 0.964 1.00 0.18 O ATOM 1310 CB LEU A 83 9.366 7.258 -1.206 1.00 0.23 C ATOM 1311 CG LEU A 83 8.653 6.195 -2.043 1.00 0.29 C ATOM 1312 CD1 LEU A 83 9.689 5.271 -2.685 1.00 0.33 C ATOM 1313 CD2 LEU A 83 7.727 5.371 -1.146 1.00 0.22 C ATOM 0 H LEU A 83 9.952 9.573 -0.500 1.00 0.25 H new ATOM 0 HA LEU A 83 7.484 8.306 -1.234 1.00 0.24 H new ATOM 0 HB2 LEU A 83 10.044 7.836 -1.835 1.00 0.23 H new ATOM 0 HB3 LEU A 83 9.973 6.782 -0.436 1.00 0.23 H new ATOM 0 HG LEU A 83 8.066 6.683 -2.821 1.00 0.29 H new ATOM 0 HD11 LEU A 83 9.181 4.513 -3.282 1.00 0.33 H new ATOM 0 HD12 LEU A 83 10.350 5.855 -3.326 1.00 0.33 H new ATOM 0 HD13 LEU A 83 10.276 4.785 -1.906 1.00 0.33 H new ATOM 0 HD21 LEU A 83 7.220 4.614 -1.744 1.00 0.22 H new ATOM 0 HD22 LEU A 83 8.314 4.885 -0.367 1.00 0.22 H new ATOM 0 HD23 LEU A 83 6.987 6.027 -0.687 1.00 0.22 H new ATOM 1325 N ILE A 84 8.758 7.302 1.662 1.00 0.19 N ATOM 1326 CA ILE A 84 8.354 6.712 2.970 1.00 0.15 C ATOM 1327 C ILE A 84 7.176 7.504 3.541 1.00 0.19 C ATOM 1328 O ILE A 84 6.230 6.942 4.057 1.00 0.23 O ATOM 1329 CB ILE A 84 9.534 6.780 3.945 1.00 0.14 C ATOM 1330 CG1 ILE A 84 10.801 6.256 3.260 1.00 0.22 C ATOM 1331 CG2 ILE A 84 9.232 5.932 5.183 1.00 0.13 C ATOM 1332 CD1 ILE A 84 10.522 4.897 2.613 1.00 0.28 C ATOM 0 H ILE A 84 9.759 7.462 1.549 1.00 0.19 H new ATOM 0 HA ILE A 84 8.060 5.672 2.827 1.00 0.15 H new ATOM 0 HB ILE A 84 9.689 7.816 4.247 1.00 0.14 H new ATOM 0 HG12 ILE A 84 11.136 6.966 2.504 1.00 0.22 H new ATOM 0 HG13 ILE A 84 11.606 6.163 3.989 1.00 0.22 H new ATOM 0 HG21 ILE A 84 10.074 5.983 5.873 1.00 0.13 H new ATOM 0 HG22 ILE A 84 8.336 6.312 5.674 1.00 0.13 H new ATOM 0 HG23 ILE A 84 9.071 4.896 4.884 1.00 0.13 H new ATOM 0 HD11 ILE A 84 11.428 4.532 2.128 1.00 0.28 H new ATOM 0 HD12 ILE A 84 10.209 4.187 3.378 1.00 0.28 H new ATOM 0 HD13 ILE A 84 9.731 5.003 1.871 1.00 0.28 H new ATOM 1344 N ARG A 85 7.226 8.804 3.452 1.00 0.22 N ATOM 1345 CA ARG A 85 6.108 9.630 3.989 1.00 0.29 C ATOM 1346 C ARG A 85 4.779 9.108 3.441 1.00 0.16 C ATOM 1347 O ARG A 85 3.852 8.842 4.182 1.00 0.17 O ATOM 1348 CB ARG A 85 6.299 11.088 3.561 1.00 0.44 C ATOM 1349 CG ARG A 85 7.043 11.850 4.659 1.00 0.96 C ATOM 1350 CD ARG A 85 7.298 13.287 4.201 1.00 1.69 C ATOM 1351 NE ARG A 85 6.598 14.232 5.116 1.00 1.53 N ATOM 1352 CZ ARG A 85 6.909 15.499 5.106 1.00 2.26 C ATOM 1353 NH1 ARG A 85 7.832 15.939 4.296 1.00 3.04 N ATOM 1354 NH2 ARG A 85 6.295 16.327 5.907 1.00 2.44 N ATOM 0 H ARG A 85 7.992 9.330 3.031 1.00 0.22 H new ATOM 0 HA ARG A 85 6.101 9.569 5.077 1.00 0.29 H new ATOM 0 HB2 ARG A 85 6.861 11.133 2.628 1.00 0.44 H new ATOM 0 HB3 ARG A 85 5.331 11.553 3.373 1.00 0.44 H new ATOM 0 HG2 ARG A 85 6.457 11.849 5.578 1.00 0.96 H new ATOM 0 HG3 ARG A 85 7.988 11.355 4.883 1.00 0.96 H new ATOM 0 HD2 ARG A 85 8.368 13.494 4.197 1.00 1.69 H new ATOM 0 HD3 ARG A 85 6.943 13.423 3.180 1.00 1.69 H new ATOM 0 HE ARG A 85 5.876 13.889 5.750 1.00 1.53 H new ATOM 0 HH11 ARG A 85 8.311 15.292 3.670 1.00 3.04 H new ATOM 0 HH12 ARG A 85 8.074 16.930 4.289 1.00 3.04 H new ATOM 0 HH21 ARG A 85 5.573 15.983 6.540 1.00 2.44 H new ATOM 0 HH22 ARG A 85 6.537 17.318 5.900 1.00 2.44 H new ATOM 1368 N PHE A 86 4.676 8.957 2.149 1.00 0.12 N ATOM 1369 CA PHE A 86 3.406 8.452 1.557 1.00 0.10 C ATOM 1370 C PHE A 86 3.077 7.082 2.150 1.00 0.14 C ATOM 1371 O PHE A 86 2.015 6.875 2.702 1.00 0.31 O ATOM 1372 CB PHE A 86 3.562 8.327 0.040 1.00 0.19 C ATOM 1373 CG PHE A 86 3.028 9.574 -0.623 1.00 0.43 C ATOM 1374 CD1 PHE A 86 1.650 9.820 -0.637 1.00 0.59 C ATOM 1375 CD2 PHE A 86 3.908 10.483 -1.223 1.00 0.64 C ATOM 1376 CE1 PHE A 86 1.152 10.976 -1.251 1.00 0.81 C ATOM 1377 CE2 PHE A 86 3.409 11.638 -1.837 1.00 0.87 C ATOM 1378 CZ PHE A 86 2.031 11.885 -1.850 1.00 0.91 C ATOM 0 H PHE A 86 5.417 9.162 1.478 1.00 0.12 H new ATOM 0 HA PHE A 86 2.599 9.149 1.782 1.00 0.10 H new ATOM 0 HB2 PHE A 86 4.611 8.185 -0.218 1.00 0.19 H new ATOM 0 HB3 PHE A 86 3.024 7.451 -0.321 1.00 0.19 H new ATOM 0 HD1 PHE A 86 0.971 9.119 -0.175 1.00 0.59 H new ATOM 0 HD2 PHE A 86 4.971 10.293 -1.212 1.00 0.64 H new ATOM 0 HE1 PHE A 86 0.089 11.166 -1.262 1.00 0.81 H new ATOM 0 HE2 PHE A 86 4.087 12.339 -2.301 1.00 0.87 H new ATOM 0 HZ PHE A 86 1.647 12.777 -2.322 1.00 0.91 H new ATOM 1388 N LEU A 87 3.976 6.143 2.037 1.00 0.12 N ATOM 1389 CA LEU A 87 3.711 4.787 2.596 1.00 0.17 C ATOM 1390 C LEU A 87 3.165 4.921 4.019 1.00 0.08 C ATOM 1391 O LEU A 87 2.070 4.488 4.317 1.00 0.10 O ATOM 1392 CB LEU A 87 5.009 3.976 2.621 1.00 0.24 C ATOM 1393 CG LEU A 87 5.705 4.068 1.261 1.00 0.58 C ATOM 1394 CD1 LEU A 87 6.921 3.141 1.246 1.00 0.55 C ATOM 1395 CD2 LEU A 87 4.732 3.647 0.158 1.00 0.80 C ATOM 0 H LEU A 87 4.882 6.256 1.582 1.00 0.12 H new ATOM 0 HA LEU A 87 2.979 4.275 1.971 1.00 0.17 H new ATOM 0 HB2 LEU A 87 5.668 4.352 3.403 1.00 0.24 H new ATOM 0 HB3 LEU A 87 4.793 2.935 2.859 1.00 0.24 H new ATOM 0 HG LEU A 87 6.027 5.095 1.089 1.00 0.58 H new ATOM 0 HD11 LEU A 87 7.417 3.207 0.277 1.00 0.55 H new ATOM 0 HD12 LEU A 87 7.616 3.440 2.030 1.00 0.55 H new ATOM 0 HD13 LEU A 87 6.598 2.114 1.420 1.00 0.55 H new ATOM 0 HD21 LEU A 87 5.229 3.713 -0.810 1.00 0.80 H new ATOM 0 HD22 LEU A 87 4.408 2.621 0.331 1.00 0.80 H new ATOM 0 HD23 LEU A 87 3.865 4.307 0.166 1.00 0.80 H new ATOM 1407 N LYS A 88 3.918 5.521 4.900 1.00 0.15 N ATOM 1408 CA LYS A 88 3.437 5.684 6.300 1.00 0.06 C ATOM 1409 C LYS A 88 2.064 6.359 6.290 1.00 0.10 C ATOM 1410 O LYS A 88 1.308 6.266 7.237 1.00 0.13 O ATOM 1411 CB LYS A 88 4.427 6.551 7.082 1.00 0.06 C ATOM 1412 CG LYS A 88 5.714 5.762 7.327 1.00 0.69 C ATOM 1413 CD LYS A 88 6.782 6.694 7.902 1.00 1.07 C ATOM 1414 CE LYS A 88 7.859 5.865 8.605 1.00 1.46 C ATOM 1415 NZ LYS A 88 8.925 6.771 9.122 1.00 2.15 N ATOM 0 H LYS A 88 4.844 5.905 4.711 1.00 0.15 H new ATOM 0 HA LYS A 88 3.358 4.706 6.775 1.00 0.06 H new ATOM 0 HB2 LYS A 88 4.647 7.462 6.526 1.00 0.06 H new ATOM 0 HB3 LYS A 88 3.988 6.856 8.032 1.00 0.06 H new ATOM 0 HG2 LYS A 88 5.524 4.940 8.017 1.00 0.69 H new ATOM 0 HG3 LYS A 88 6.065 5.320 6.395 1.00 0.69 H new ATOM 0 HD2 LYS A 88 7.228 7.288 7.105 1.00 1.07 H new ATOM 0 HD3 LYS A 88 6.329 7.393 8.605 1.00 1.07 H new ATOM 0 HE2 LYS A 88 7.419 5.298 9.426 1.00 1.46 H new ATOM 0 HE3 LYS A 88 8.287 5.141 7.911 1.00 1.46 H new ATOM 0 HZ1 LYS A 88 9.841 6.497 8.713 1.00 2.15 H new ATOM 0 HZ2 LYS A 88 8.706 7.752 8.856 1.00 2.15 H new ATOM 0 HZ3 LYS A 88 8.972 6.696 10.158 1.00 2.15 H new ATOM 1429 N ARG A 89 1.737 7.040 5.226 1.00 0.18 N ATOM 1430 CA ARG A 89 0.414 7.722 5.154 1.00 0.26 C ATOM 1431 C ARG A 89 -0.662 6.712 4.745 1.00 0.27 C ATOM 1432 O ARG A 89 -1.545 6.383 5.516 1.00 0.31 O ATOM 1433 CB ARG A 89 0.479 8.847 4.118 1.00 0.35 C ATOM 1434 CG ARG A 89 -0.250 10.083 4.652 1.00 0.85 C ATOM 1435 CD ARG A 89 -1.714 9.738 4.931 1.00 1.57 C ATOM 1436 NE ARG A 89 -2.553 10.958 4.757 1.00 1.53 N ATOM 1437 CZ ARG A 89 -3.849 10.849 4.658 1.00 3.30 C ATOM 1438 NH1 ARG A 89 -4.412 9.673 4.716 1.00 4.99 N ATOM 1439 NH2 ARG A 89 -4.583 11.917 4.502 1.00 3.60 N ATOM 0 H ARG A 89 2.329 7.154 4.403 1.00 0.18 H new ATOM 0 HA ARG A 89 0.166 8.139 6.130 1.00 0.26 H new ATOM 0 HB2 ARG A 89 1.518 9.092 3.898 1.00 0.35 H new ATOM 0 HB3 ARG A 89 0.024 8.520 3.183 1.00 0.35 H new ATOM 0 HG2 ARG A 89 0.231 10.435 5.565 1.00 0.85 H new ATOM 0 HG3 ARG A 89 -0.189 10.894 3.927 1.00 0.85 H new ATOM 0 HD2 ARG A 89 -2.049 8.953 4.253 1.00 1.57 H new ATOM 0 HD3 ARG A 89 -1.821 9.351 5.944 1.00 1.57 H new ATOM 0 HE ARG A 89 -2.114 11.878 4.715 1.00 1.53 H new ATOM 0 HH11 ARG A 89 -3.838 8.839 4.839 1.00 4.99 H new ATOM 0 HH12 ARG A 89 -5.426 9.588 4.639 1.00 4.99 H new ATOM 0 HH21 ARG A 89 -4.143 12.836 4.458 1.00 3.60 H new ATOM 0 HH22 ARG A 89 -5.597 11.832 4.424 1.00 3.60 H new ATOM 1453 N LEU A 90 -0.598 6.214 3.540 1.00 0.33 N ATOM 1454 CA LEU A 90 -1.618 5.228 3.089 1.00 0.33 C ATOM 1455 C LEU A 90 -1.556 3.986 3.980 1.00 0.25 C ATOM 1456 O LEU A 90 -2.384 3.102 3.889 1.00 0.52 O ATOM 1457 CB LEU A 90 -1.358 4.842 1.627 1.00 0.36 C ATOM 1458 CG LEU A 90 0.091 4.355 1.451 1.00 0.39 C ATOM 1459 CD1 LEU A 90 0.276 2.944 2.031 1.00 0.85 C ATOM 1460 CD2 LEU A 90 0.434 4.335 -0.039 1.00 0.76 C ATOM 0 H LEU A 90 0.116 6.448 2.850 1.00 0.33 H new ATOM 0 HA LEU A 90 -2.610 5.673 3.164 1.00 0.33 H new ATOM 0 HB2 LEU A 90 -2.051 4.058 1.322 1.00 0.36 H new ATOM 0 HB3 LEU A 90 -1.542 5.699 0.980 1.00 0.36 H new ATOM 0 HG LEU A 90 0.753 5.036 1.986 1.00 0.39 H new ATOM 0 HD11 LEU A 90 1.309 2.626 1.892 1.00 0.85 H new ATOM 0 HD12 LEU A 90 0.039 2.954 3.095 1.00 0.85 H new ATOM 0 HD13 LEU A 90 -0.389 2.250 1.518 1.00 0.85 H new ATOM 0 HD21 LEU A 90 1.460 3.991 -0.172 1.00 0.76 H new ATOM 0 HD22 LEU A 90 -0.245 3.660 -0.560 1.00 0.76 H new ATOM 0 HD23 LEU A 90 0.333 5.340 -0.449 1.00 0.76 H new ATOM 1472 N ASP A 91 -0.582 3.916 4.847 1.00 0.22 N ATOM 1473 CA ASP A 91 -0.473 2.735 5.747 1.00 0.29 C ATOM 1474 C ASP A 91 -1.584 2.802 6.795 1.00 0.28 C ATOM 1475 O ASP A 91 -2.288 1.840 7.031 1.00 0.38 O ATOM 1476 CB ASP A 91 0.890 2.746 6.445 1.00 0.45 C ATOM 1477 CG ASP A 91 0.957 1.596 7.452 1.00 0.36 C ATOM 1478 OD1 ASP A 91 0.001 0.841 7.523 1.00 1.05 O ATOM 1479 OD2 ASP A 91 1.962 1.490 8.134 1.00 1.08 O ATOM 0 H ASP A 91 0.141 4.625 4.970 1.00 0.22 H new ATOM 0 HA ASP A 91 -0.571 1.819 5.164 1.00 0.29 H new ATOM 0 HB2 ASP A 91 1.688 2.646 5.709 1.00 0.45 H new ATOM 0 HB3 ASP A 91 1.042 3.698 6.953 1.00 0.45 H new ATOM 1484 N ARG A 92 -1.753 3.934 7.421 1.00 0.27 N ATOM 1485 CA ARG A 92 -2.824 4.065 8.447 1.00 0.32 C ATOM 1486 C ARG A 92 -4.178 4.180 7.748 1.00 0.30 C ATOM 1487 O ARG A 92 -5.193 3.762 8.266 1.00 0.42 O ATOM 1488 CB ARG A 92 -2.576 5.318 9.291 1.00 0.39 C ATOM 1489 CG ARG A 92 -1.514 5.018 10.352 1.00 0.70 C ATOM 1490 CD ARG A 92 -0.212 4.597 9.668 1.00 1.55 C ATOM 1491 NE ARG A 92 0.942 4.927 10.552 1.00 1.90 N ATOM 1492 CZ ARG A 92 2.113 4.401 10.319 1.00 3.47 C ATOM 1493 NH1 ARG A 92 2.275 3.586 9.314 1.00 4.75 N ATOM 1494 NH2 ARG A 92 3.123 4.691 11.094 1.00 3.92 N ATOM 0 H ARG A 92 -1.195 4.774 7.266 1.00 0.27 H new ATOM 0 HA ARG A 92 -2.819 3.188 9.095 1.00 0.32 H new ATOM 0 HB2 ARG A 92 -2.247 6.139 8.654 1.00 0.39 H new ATOM 0 HB3 ARG A 92 -3.502 5.637 9.769 1.00 0.39 H new ATOM 0 HG2 ARG A 92 -1.344 5.899 10.970 1.00 0.70 H new ATOM 0 HG3 ARG A 92 -1.861 4.226 11.015 1.00 0.70 H new ATOM 0 HD2 ARG A 92 -0.228 3.528 9.457 1.00 1.55 H new ATOM 0 HD3 ARG A 92 -0.109 5.109 8.711 1.00 1.55 H new ATOM 0 HE ARG A 92 0.816 5.564 11.339 1.00 1.90 H new ATOM 0 HH11 ARG A 92 1.486 3.359 8.709 1.00 4.75 H new ATOM 0 HH12 ARG A 92 3.191 3.175 9.133 1.00 4.75 H new ATOM 0 HH21 ARG A 92 2.996 5.328 11.880 1.00 3.92 H new ATOM 0 HH22 ARG A 92 4.039 4.280 10.913 1.00 3.92 H new ATOM 1508 N ASN A 93 -4.200 4.743 6.570 1.00 0.25 N ATOM 1509 CA ASN A 93 -5.490 4.881 5.838 1.00 0.38 C ATOM 1510 C ASN A 93 -6.124 3.499 5.662 1.00 0.34 C ATOM 1511 O ASN A 93 -7.253 3.269 6.047 1.00 0.37 O ATOM 1512 CB ASN A 93 -5.236 5.501 4.462 1.00 0.44 C ATOM 1513 CG ASN A 93 -4.450 6.803 4.625 1.00 0.54 C ATOM 1514 OD1 ASN A 93 -4.121 7.193 5.728 1.00 0.89 O ATOM 1515 ND2 ASN A 93 -4.133 7.495 3.565 1.00 1.87 N ATOM 0 H ASN A 93 -3.382 5.112 6.085 1.00 0.25 H new ATOM 0 HA ASN A 93 -6.162 5.523 6.407 1.00 0.38 H new ATOM 0 HB2 ASN A 93 -4.680 4.804 3.835 1.00 0.44 H new ATOM 0 HB3 ASN A 93 -6.183 5.696 3.959 1.00 0.44 H new ATOM 0 HD21 ASN A 93 -3.608 8.364 3.662 1.00 1.87 H new ATOM 0 HD22 ASN A 93 -4.410 7.166 2.640 1.00 1.87 H new ATOM 1522 N LEU A 94 -5.404 2.575 5.086 1.00 0.28 N ATOM 1523 CA LEU A 94 -5.966 1.209 4.888 1.00 0.25 C ATOM 1524 C LEU A 94 -6.219 0.562 6.251 1.00 0.25 C ATOM 1525 O LEU A 94 -7.328 0.185 6.573 1.00 0.21 O ATOM 1526 CB LEU A 94 -4.970 0.357 4.096 1.00 0.26 C ATOM 1527 CG LEU A 94 -4.656 1.038 2.761 1.00 0.29 C ATOM 1528 CD1 LEU A 94 -3.623 0.208 1.997 1.00 0.39 C ATOM 1529 CD2 LEU A 94 -5.934 1.153 1.924 1.00 0.36 C ATOM 0 H LEU A 94 -4.452 2.707 4.744 1.00 0.28 H new ATOM 0 HA LEU A 94 -6.904 1.277 4.337 1.00 0.25 H new ATOM 0 HB2 LEU A 94 -4.054 0.222 4.671 1.00 0.26 H new ATOM 0 HB3 LEU A 94 -5.385 -0.636 3.920 1.00 0.26 H new ATOM 0 HG LEU A 94 -4.258 2.035 2.951 1.00 0.29 H new ATOM 0 HD11 LEU A 94 -3.399 0.692 1.046 1.00 0.39 H new ATOM 0 HD12 LEU A 94 -2.711 0.129 2.588 1.00 0.39 H new ATOM 0 HD13 LEU A 94 -4.023 -0.789 1.811 1.00 0.39 H new ATOM 0 HD21 LEU A 94 -5.705 1.638 0.975 1.00 0.36 H new ATOM 0 HD22 LEU A 94 -6.336 0.158 1.735 1.00 0.36 H new ATOM 0 HD23 LEU A 94 -6.672 1.745 2.466 1.00 0.36 H new ATOM 1541 N TRP A 95 -5.199 0.429 7.054 1.00 0.32 N ATOM 1542 CA TRP A 95 -5.382 -0.194 8.394 1.00 0.34 C ATOM 1543 C TRP A 95 -6.367 0.642 9.215 1.00 0.38 C ATOM 1544 O TRP A 95 -6.712 0.297 10.327 1.00 0.52 O ATOM 1545 CB TRP A 95 -4.036 -0.252 9.118 1.00 0.39 C ATOM 1546 CG TRP A 95 -4.231 -0.814 10.490 1.00 0.41 C ATOM 1547 CD1 TRP A 95 -4.422 -0.079 11.611 1.00 0.47 C ATOM 1548 CD2 TRP A 95 -4.256 -2.209 10.907 1.00 0.39 C ATOM 1549 NE1 TRP A 95 -4.563 -0.936 12.687 1.00 0.49 N ATOM 1550 CE2 TRP A 95 -4.470 -2.260 12.304 1.00 0.43 C ATOM 1551 CE3 TRP A 95 -4.118 -3.426 10.214 1.00 0.37 C ATOM 1552 CZ2 TRP A 95 -4.542 -3.472 12.991 1.00 0.42 C ATOM 1553 CZ3 TRP A 95 -4.190 -4.649 10.901 1.00 0.38 C ATOM 1554 CH2 TRP A 95 -4.402 -4.671 12.287 1.00 0.39 C ATOM 0 H TRP A 95 -4.247 0.725 6.839 1.00 0.32 H new ATOM 0 HA TRP A 95 -5.774 -1.204 8.274 1.00 0.34 H new ATOM 0 HB2 TRP A 95 -3.335 -0.870 8.557 1.00 0.39 H new ATOM 0 HB3 TRP A 95 -3.601 0.746 9.181 1.00 0.39 H new ATOM 0 HD1 TRP A 95 -4.458 0.999 11.657 1.00 0.47 H new ATOM 0 HE1 TRP A 95 -4.717 -0.628 13.647 1.00 0.49 H new ATOM 0 HE3 TRP A 95 -3.956 -3.420 9.146 1.00 0.37 H new ATOM 0 HZ2 TRP A 95 -4.705 -3.484 14.059 1.00 0.42 H new ATOM 0 HZ3 TRP A 95 -4.082 -5.577 10.359 1.00 0.38 H new ATOM 0 HH2 TRP A 95 -4.457 -5.614 12.810 1.00 0.39 H new ATOM 1565 N GLY A 96 -6.823 1.738 8.674 1.00 0.31 N ATOM 1566 CA GLY A 96 -7.786 2.594 9.423 1.00 0.32 C ATOM 1567 C GLY A 96 -9.186 1.986 9.337 1.00 0.21 C ATOM 1568 O GLY A 96 -9.714 1.479 10.307 1.00 0.32 O ATOM 0 H GLY A 96 -6.571 2.078 7.746 1.00 0.31 H new ATOM 0 HA2 GLY A 96 -7.479 2.679 10.465 1.00 0.32 H new ATOM 0 HA3 GLY A 96 -7.790 3.602 9.009 1.00 0.32 H new ATOM 1572 N LEU A 97 -9.794 2.032 8.182 1.00 0.14 N ATOM 1573 CA LEU A 97 -11.161 1.457 8.038 1.00 0.24 C ATOM 1574 C LEU A 97 -11.132 -0.032 8.387 1.00 0.33 C ATOM 1575 O LEU A 97 -12.143 -0.705 8.362 1.00 0.43 O ATOM 1576 CB LEU A 97 -11.658 1.644 6.595 1.00 0.31 C ATOM 1577 CG LEU A 97 -10.587 1.189 5.588 1.00 0.27 C ATOM 1578 CD1 LEU A 97 -10.420 -0.337 5.620 1.00 0.25 C ATOM 1579 CD2 LEU A 97 -11.012 1.614 4.181 1.00 0.46 C ATOM 0 H LEU A 97 -9.403 2.442 7.334 1.00 0.14 H new ATOM 0 HA LEU A 97 -11.840 1.973 8.717 1.00 0.24 H new ATOM 0 HB2 LEU A 97 -12.573 1.072 6.443 1.00 0.31 H new ATOM 0 HB3 LEU A 97 -11.905 2.692 6.423 1.00 0.31 H new ATOM 0 HG LEU A 97 -9.637 1.651 5.856 1.00 0.27 H new ATOM 0 HD11 LEU A 97 -9.658 -0.635 4.900 1.00 0.25 H new ATOM 0 HD12 LEU A 97 -10.117 -0.649 6.619 1.00 0.25 H new ATOM 0 HD13 LEU A 97 -11.367 -0.812 5.363 1.00 0.25 H new ATOM 0 HD21 LEU A 97 -10.258 1.295 3.461 1.00 0.46 H new ATOM 0 HD22 LEU A 97 -11.968 1.151 3.934 1.00 0.46 H new ATOM 0 HD23 LEU A 97 -11.114 2.699 4.144 1.00 0.46 H new ATOM 1591 N ALA A 98 -9.980 -0.553 8.712 1.00 0.32 N ATOM 1592 CA ALA A 98 -9.889 -1.998 9.061 1.00 0.42 C ATOM 1593 C ALA A 98 -10.395 -2.212 10.490 1.00 0.46 C ATOM 1594 O ALA A 98 -11.455 -2.763 10.708 1.00 0.49 O ATOM 1595 CB ALA A 98 -8.433 -2.457 8.961 1.00 0.48 C ATOM 0 H ALA A 98 -9.099 -0.040 8.751 1.00 0.32 H new ATOM 0 HA ALA A 98 -10.501 -2.577 8.369 1.00 0.42 H new ATOM 0 HB1 ALA A 98 -8.367 -3.515 9.216 1.00 0.48 H new ATOM 0 HB2 ALA A 98 -8.073 -2.306 7.943 1.00 0.48 H new ATOM 0 HB3 ALA A 98 -7.821 -1.878 9.652 1.00 0.48 H new ATOM 1601 N GLY A 99 -9.643 -1.779 11.465 1.00 0.48 N ATOM 1602 CA GLY A 99 -10.081 -1.957 12.879 1.00 0.53 C ATOM 1603 C GLY A 99 -9.889 -3.416 13.293 1.00 0.59 C ATOM 1604 O GLY A 99 -10.426 -3.865 14.286 1.00 0.95 O ATOM 0 H GLY A 99 -8.745 -1.310 11.344 1.00 0.48 H new ATOM 0 HA2 GLY A 99 -9.505 -1.303 13.534 1.00 0.53 H new ATOM 0 HA3 GLY A 99 -11.128 -1.673 12.985 1.00 0.53 H new ATOM 1608 N LEU A 100 -9.127 -4.161 12.540 1.00 0.26 N ATOM 1609 CA LEU A 100 -8.901 -5.591 12.893 1.00 0.29 C ATOM 1610 C LEU A 100 -7.725 -5.698 13.866 1.00 0.33 C ATOM 1611 O LEU A 100 -6.647 -5.201 13.609 1.00 0.37 O ATOM 1612 CB LEU A 100 -8.586 -6.386 11.623 1.00 0.21 C ATOM 1613 CG LEU A 100 -9.665 -7.447 11.404 1.00 0.47 C ATOM 1614 CD1 LEU A 100 -9.422 -8.156 10.070 1.00 0.68 C ATOM 1615 CD2 LEU A 100 -9.612 -8.470 12.541 1.00 0.84 C ATOM 0 H LEU A 100 -8.651 -3.841 11.696 1.00 0.26 H new ATOM 0 HA LEU A 100 -9.798 -5.995 13.362 1.00 0.29 H new ATOM 0 HB2 LEU A 100 -8.540 -5.716 10.764 1.00 0.21 H new ATOM 0 HB3 LEU A 100 -7.608 -6.859 11.711 1.00 0.21 H new ATOM 0 HG LEU A 100 -10.645 -6.970 11.388 1.00 0.47 H new ATOM 0 HD11 LEU A 100 -10.191 -8.912 9.914 1.00 0.68 H new ATOM 0 HD12 LEU A 100 -9.459 -7.428 9.259 1.00 0.68 H new ATOM 0 HD13 LEU A 100 -8.442 -8.633 10.085 1.00 0.68 H new ATOM 0 HD21 LEU A 100 -10.381 -9.227 12.386 1.00 0.84 H new ATOM 0 HD22 LEU A 100 -8.632 -8.946 12.556 1.00 0.84 H new ATOM 0 HD23 LEU A 100 -9.785 -7.966 13.492 1.00 0.84 H new ATOM 1627 N ASN A 101 -7.924 -6.342 14.983 1.00 0.36 N ATOM 1628 CA ASN A 101 -6.818 -6.478 15.972 1.00 0.42 C ATOM 1629 C ASN A 101 -5.890 -7.618 15.545 1.00 0.39 C ATOM 1630 O ASN A 101 -4.815 -7.395 15.025 1.00 0.40 O ATOM 1631 CB ASN A 101 -7.402 -6.787 17.352 1.00 0.52 C ATOM 1632 CG ASN A 101 -8.134 -5.554 17.884 1.00 0.85 C ATOM 1633 OD1 ASN A 101 -7.942 -5.160 19.017 1.00 1.11 O ATOM 1634 ND2 ASN A 101 -8.972 -4.922 17.108 1.00 1.84 N ATOM 0 H ASN A 101 -8.805 -6.780 15.254 1.00 0.36 H new ATOM 0 HA ASN A 101 -6.254 -5.546 16.016 1.00 0.42 H new ATOM 0 HB2 ASN A 101 -8.089 -7.631 17.287 1.00 0.52 H new ATOM 0 HB3 ASN A 101 -6.606 -7.075 18.039 1.00 0.52 H new ATOM 0 HD21 ASN A 101 -9.465 -4.098 17.453 1.00 1.84 H new ATOM 0 HD22 ASN A 101 -9.134 -5.252 16.156 1.00 1.84 H new ATOM 1641 N SER A 102 -6.298 -8.839 15.759 1.00 0.45 N ATOM 1642 CA SER A 102 -5.439 -9.991 15.365 1.00 0.41 C ATOM 1643 C SER A 102 -5.584 -10.246 13.863 1.00 0.29 C ATOM 1644 O SER A 102 -6.677 -10.293 13.336 1.00 0.33 O ATOM 1645 CB SER A 102 -5.871 -11.237 16.139 1.00 0.52 C ATOM 1646 OG SER A 102 -5.299 -12.388 15.531 1.00 1.39 O ATOM 0 H SER A 102 -7.189 -9.088 16.189 1.00 0.45 H new ATOM 0 HA SER A 102 -4.398 -9.764 15.595 1.00 0.41 H new ATOM 0 HB2 SER A 102 -5.551 -11.163 17.178 1.00 0.52 H new ATOM 0 HB3 SER A 102 -6.958 -11.317 16.145 1.00 0.52 H new ATOM 0 HG SER A 102 -5.572 -13.189 16.025 1.00 1.39 H new ATOM 1652 N CYS A 103 -4.491 -10.411 13.172 1.00 0.17 N ATOM 1653 CA CYS A 103 -4.568 -10.663 11.705 1.00 0.10 C ATOM 1654 C CYS A 103 -3.218 -11.189 11.199 1.00 0.10 C ATOM 1655 O CYS A 103 -2.533 -10.504 10.466 1.00 0.21 O ATOM 1656 CB CYS A 103 -4.899 -9.353 10.987 1.00 0.13 C ATOM 1657 SG CYS A 103 -4.750 -9.592 9.198 1.00 0.11 S ATOM 0 H CYS A 103 -3.548 -10.382 13.559 1.00 0.17 H new ATOM 0 HA CYS A 103 -5.343 -11.403 11.504 1.00 0.10 H new ATOM 0 HB2 CYS A 103 -5.910 -9.033 11.239 1.00 0.13 H new ATOM 0 HB3 CYS A 103 -4.223 -8.564 11.317 1.00 0.13 H new ATOM 1662 N PRO A 104 -2.869 -12.388 11.602 1.00 0.08 N ATOM 1663 CA PRO A 104 -1.595 -13.005 11.190 1.00 0.16 C ATOM 1664 C PRO A 104 -1.575 -13.211 9.673 1.00 0.25 C ATOM 1665 O PRO A 104 -2.594 -13.445 9.054 1.00 0.27 O ATOM 1666 CB PRO A 104 -1.554 -14.355 11.919 1.00 0.13 C ATOM 1667 CG PRO A 104 -2.856 -14.481 12.751 1.00 0.15 C ATOM 1668 CD PRO A 104 -3.700 -13.222 12.494 1.00 0.14 C ATOM 0 HA PRO A 104 -0.734 -12.383 11.437 1.00 0.16 H new ATOM 0 HB2 PRO A 104 -1.477 -15.174 11.204 1.00 0.13 H new ATOM 0 HB3 PRO A 104 -0.679 -14.414 12.567 1.00 0.13 H new ATOM 0 HG2 PRO A 104 -3.408 -15.376 12.464 1.00 0.15 H new ATOM 0 HG3 PRO A 104 -2.624 -14.576 13.812 1.00 0.15 H new ATOM 0 HD2 PRO A 104 -4.653 -13.473 12.028 1.00 0.14 H new ATOM 0 HD3 PRO A 104 -3.928 -12.701 13.424 1.00 0.14 H new ATOM 1676 N VAL A 105 -0.421 -13.124 9.069 1.00 0.37 N ATOM 1677 CA VAL A 105 -0.336 -13.315 7.593 1.00 0.49 C ATOM 1678 C VAL A 105 -0.036 -14.783 7.284 1.00 0.47 C ATOM 1679 O VAL A 105 0.692 -15.441 8.001 1.00 0.36 O ATOM 1680 CB VAL A 105 0.782 -12.436 7.029 1.00 0.63 C ATOM 1681 CG1 VAL A 105 2.110 -12.815 7.685 1.00 0.60 C ATOM 1682 CG2 VAL A 105 0.883 -12.650 5.517 1.00 0.68 C ATOM 0 H VAL A 105 0.466 -12.929 9.533 1.00 0.37 H new ATOM 0 HA VAL A 105 -1.285 -13.035 7.135 1.00 0.49 H new ATOM 0 HB VAL A 105 0.560 -11.389 7.236 1.00 0.63 H new ATOM 0 HG11 VAL A 105 2.906 -12.189 7.283 1.00 0.60 H new ATOM 0 HG12 VAL A 105 2.039 -12.665 8.762 1.00 0.60 H new ATOM 0 HG13 VAL A 105 2.332 -13.862 7.478 1.00 0.60 H new ATOM 0 HG21 VAL A 105 1.679 -12.024 5.113 1.00 0.68 H new ATOM 0 HG22 VAL A 105 1.105 -13.697 5.312 1.00 0.68 H new ATOM 0 HG23 VAL A 105 -0.063 -12.381 5.047 1.00 0.68 H new ATOM 1692 N LYS A 106 -0.590 -15.301 6.223 1.00 0.69 N ATOM 1693 CA LYS A 106 -0.336 -16.726 5.870 1.00 0.69 C ATOM 1694 C LYS A 106 0.922 -16.819 5.004 1.00 0.61 C ATOM 1695 O LYS A 106 2.031 -16.718 5.491 1.00 0.70 O ATOM 1696 CB LYS A 106 -1.532 -17.281 5.094 1.00 0.70 C ATOM 1697 CG LYS A 106 -2.666 -17.607 6.068 1.00 1.80 C ATOM 1698 CD LYS A 106 -2.636 -19.098 6.407 1.00 1.73 C ATOM 1699 CE LYS A 106 -3.741 -19.415 7.416 1.00 3.13 C ATOM 1700 NZ LYS A 106 -3.137 -19.642 8.760 1.00 3.87 N ATOM 0 H LYS A 106 -1.208 -14.799 5.585 1.00 0.69 H new ATOM 0 HA LYS A 106 -0.194 -17.307 6.781 1.00 0.69 H new ATOM 0 HB2 LYS A 106 -1.870 -16.553 4.356 1.00 0.70 H new ATOM 0 HB3 LYS A 106 -1.240 -18.177 4.547 1.00 0.70 H new ATOM 0 HG2 LYS A 106 -2.560 -17.015 6.977 1.00 1.80 H new ATOM 0 HG3 LYS A 106 -3.627 -17.343 5.625 1.00 1.80 H new ATOM 0 HD2 LYS A 106 -2.774 -19.690 5.502 1.00 1.73 H new ATOM 0 HD3 LYS A 106 -1.664 -19.368 6.819 1.00 1.73 H new ATOM 0 HE2 LYS A 106 -4.454 -18.592 7.460 1.00 3.13 H new ATOM 0 HE3 LYS A 106 -4.294 -20.300 7.100 1.00 3.13 H new ATOM 0 HZ1 LYS A 106 -3.888 -19.858 9.446 1.00 3.87 H new ATOM 0 HZ2 LYS A 106 -2.473 -20.441 8.712 1.00 3.87 H new ATOM 0 HZ3 LYS A 106 -2.628 -18.786 9.061 1.00 3.87 H new ATOM 1714 N GLU A 107 0.759 -17.014 3.723 1.00 0.66 N ATOM 1715 CA GLU A 107 1.943 -17.114 2.824 1.00 0.58 C ATOM 1716 C GLU A 107 1.605 -16.500 1.465 1.00 0.61 C ATOM 1717 O GLU A 107 0.536 -15.956 1.267 1.00 0.86 O ATOM 1718 CB GLU A 107 2.321 -18.585 2.640 1.00 0.64 C ATOM 1719 CG GLU A 107 2.208 -19.315 3.980 1.00 1.45 C ATOM 1720 CD GLU A 107 2.701 -20.754 3.821 1.00 1.85 C ATOM 1721 OE1 GLU A 107 3.855 -20.928 3.462 1.00 1.18 O ATOM 1722 OE2 GLU A 107 1.918 -21.658 4.060 1.00 2.98 O ATOM 0 H GLU A 107 -0.145 -17.108 3.260 1.00 0.66 H new ATOM 0 HA GLU A 107 2.782 -16.576 3.267 1.00 0.58 H new ATOM 0 HB2 GLU A 107 1.665 -19.050 1.904 1.00 0.64 H new ATOM 0 HB3 GLU A 107 3.338 -18.664 2.256 1.00 0.64 H new ATOM 0 HG2 GLU A 107 2.798 -18.799 4.738 1.00 1.45 H new ATOM 0 HG3 GLU A 107 1.173 -19.310 4.323 1.00 1.45 H new ATOM 1729 N ALA A 108 2.506 -16.582 0.524 1.00 0.45 N ATOM 1730 CA ALA A 108 2.234 -16.003 -0.821 1.00 0.48 C ATOM 1731 C ALA A 108 3.455 -16.209 -1.721 1.00 0.38 C ATOM 1732 O ALA A 108 4.538 -16.507 -1.256 1.00 0.35 O ATOM 1733 CB ALA A 108 1.949 -14.507 -0.684 1.00 0.47 C ATOM 0 H ALA A 108 3.419 -17.025 0.629 1.00 0.45 H new ATOM 0 HA ALA A 108 1.369 -16.499 -1.262 1.00 0.48 H new ATOM 0 HB1 ALA A 108 1.750 -14.083 -1.668 1.00 0.47 H new ATOM 0 HB2 ALA A 108 1.080 -14.359 -0.043 1.00 0.47 H new ATOM 0 HB3 ALA A 108 2.814 -14.011 -0.243 1.00 0.47 H new ATOM 1739 N ASP A 109 3.289 -16.055 -3.006 1.00 0.42 N ATOM 1740 CA ASP A 109 4.439 -16.241 -3.934 1.00 0.50 C ATOM 1741 C ASP A 109 5.348 -15.012 -3.873 1.00 0.53 C ATOM 1742 O ASP A 109 6.198 -14.897 -3.013 1.00 0.84 O ATOM 1743 CB ASP A 109 3.920 -16.423 -5.361 1.00 0.53 C ATOM 1744 CG ASP A 109 3.553 -17.890 -5.589 1.00 0.60 C ATOM 1745 OD1 ASP A 109 3.424 -18.607 -4.610 1.00 0.72 O ATOM 1746 OD2 ASP A 109 3.409 -18.273 -6.738 1.00 1.18 O ATOM 0 H ASP A 109 2.406 -15.808 -3.453 1.00 0.42 H new ATOM 0 HA ASP A 109 5.004 -17.125 -3.639 1.00 0.50 H new ATOM 0 HB2 ASP A 109 3.048 -15.790 -5.525 1.00 0.53 H new ATOM 0 HB3 ASP A 109 4.680 -16.112 -6.078 1.00 0.53 H new ATOM 1751 N GLN A 110 5.176 -14.091 -4.781 1.00 0.53 N ATOM 1752 CA GLN A 110 6.030 -12.870 -4.775 1.00 0.49 C ATOM 1753 C GLN A 110 5.484 -11.860 -5.787 1.00 0.44 C ATOM 1754 O GLN A 110 4.946 -12.225 -6.814 1.00 0.41 O ATOM 1755 CB GLN A 110 7.463 -13.248 -5.156 1.00 0.69 C ATOM 1756 CG GLN A 110 8.404 -12.088 -4.823 1.00 0.62 C ATOM 1757 CD GLN A 110 9.429 -11.923 -5.947 1.00 2.05 C ATOM 1758 OE1 GLN A 110 10.570 -12.316 -5.806 1.00 1.92 O ATOM 1759 NE2 GLN A 110 9.068 -11.354 -7.064 1.00 3.63 N ATOM 0 H GLN A 110 4.481 -14.131 -5.527 1.00 0.53 H new ATOM 0 HA GLN A 110 6.023 -12.427 -3.779 1.00 0.49 H new ATOM 0 HB2 GLN A 110 7.769 -14.145 -4.617 1.00 0.69 H new ATOM 0 HB3 GLN A 110 7.518 -13.481 -6.219 1.00 0.69 H new ATOM 0 HG2 GLN A 110 7.834 -11.167 -4.699 1.00 0.62 H new ATOM 0 HG3 GLN A 110 8.912 -12.278 -3.878 1.00 0.62 H new ATOM 0 HE21 GLN A 110 8.110 -11.024 -7.182 1.00 3.63 H new ATOM 0 HE22 GLN A 110 9.744 -11.239 -7.819 1.00 3.63 H new ATOM 1768 N SER A 111 5.618 -10.593 -5.505 1.00 0.49 N ATOM 1769 CA SER A 111 5.106 -9.561 -6.451 1.00 0.51 C ATOM 1770 C SER A 111 6.005 -8.326 -6.393 1.00 0.47 C ATOM 1771 O SER A 111 6.559 -7.996 -5.362 1.00 0.49 O ATOM 1772 CB SER A 111 3.680 -9.173 -6.059 1.00 0.51 C ATOM 1773 OG SER A 111 3.690 -8.603 -4.756 1.00 0.36 O ATOM 0 H SER A 111 6.060 -10.228 -4.661 1.00 0.49 H new ATOM 0 HA SER A 111 5.107 -9.964 -7.464 1.00 0.51 H new ATOM 0 HB2 SER A 111 3.274 -8.460 -6.777 1.00 0.51 H new ATOM 0 HB3 SER A 111 3.033 -10.050 -6.080 1.00 0.51 H new ATOM 0 HG SER A 111 2.816 -8.738 -4.333 1.00 0.36 H new ATOM 1779 N THR A 112 6.158 -7.638 -7.492 1.00 0.43 N ATOM 1780 CA THR A 112 7.023 -6.425 -7.498 1.00 0.40 C ATOM 1781 C THR A 112 6.259 -5.251 -6.881 1.00 0.36 C ATOM 1782 O THR A 112 5.046 -5.195 -6.923 1.00 0.53 O ATOM 1783 CB THR A 112 7.411 -6.082 -8.937 1.00 0.43 C ATOM 1784 OG1 THR A 112 6.330 -6.392 -9.805 1.00 0.56 O ATOM 1785 CG2 THR A 112 8.643 -6.891 -9.343 1.00 0.23 C ATOM 0 H THR A 112 5.721 -7.864 -8.386 1.00 0.43 H new ATOM 0 HA THR A 112 7.924 -6.618 -6.916 1.00 0.40 H new ATOM 0 HB THR A 112 7.639 -5.019 -9.007 1.00 0.43 H new ATOM 0 HG1 THR A 112 6.577 -6.171 -10.727 1.00 0.56 H new ATOM 0 HG21 THR A 112 8.918 -6.645 -10.369 1.00 0.23 H new ATOM 0 HG22 THR A 112 9.472 -6.650 -8.678 1.00 0.23 H new ATOM 0 HG23 THR A 112 8.419 -7.955 -9.273 1.00 0.23 H new ATOM 1793 N LEU A 113 6.960 -4.313 -6.307 1.00 0.22 N ATOM 1794 CA LEU A 113 6.277 -3.143 -5.686 1.00 0.17 C ATOM 1795 C LEU A 113 5.452 -2.413 -6.749 1.00 0.18 C ATOM 1796 O LEU A 113 4.409 -1.859 -6.466 1.00 0.24 O ATOM 1797 CB LEU A 113 7.330 -2.192 -5.104 1.00 0.22 C ATOM 1798 CG LEU A 113 6.647 -1.022 -4.384 1.00 0.21 C ATOM 1799 CD1 LEU A 113 5.825 -1.541 -3.201 1.00 0.12 C ATOM 1800 CD2 LEU A 113 7.715 -0.055 -3.870 1.00 0.39 C ATOM 0 H LEU A 113 7.978 -4.306 -6.241 1.00 0.22 H new ATOM 0 HA LEU A 113 5.616 -3.483 -4.888 1.00 0.17 H new ATOM 0 HB2 LEU A 113 7.973 -2.731 -4.408 1.00 0.22 H new ATOM 0 HB3 LEU A 113 7.970 -1.814 -5.902 1.00 0.22 H new ATOM 0 HG LEU A 113 5.985 -0.510 -5.082 1.00 0.21 H new ATOM 0 HD11 LEU A 113 5.344 -0.703 -2.696 1.00 0.12 H new ATOM 0 HD12 LEU A 113 5.064 -2.232 -3.562 1.00 0.12 H new ATOM 0 HD13 LEU A 113 6.481 -2.058 -2.501 1.00 0.12 H new ATOM 0 HD21 LEU A 113 7.235 0.779 -3.357 1.00 0.39 H new ATOM 0 HD22 LEU A 113 8.374 -0.576 -3.176 1.00 0.39 H new ATOM 0 HD23 LEU A 113 8.298 0.323 -4.710 1.00 0.39 H new ATOM 1812 N GLU A 114 5.911 -2.410 -7.971 1.00 0.19 N ATOM 1813 CA GLU A 114 5.151 -1.715 -9.048 1.00 0.26 C ATOM 1814 C GLU A 114 3.906 -2.532 -9.403 1.00 0.23 C ATOM 1815 O GLU A 114 2.794 -2.146 -9.102 1.00 0.26 O ATOM 1816 CB GLU A 114 6.038 -1.572 -10.288 1.00 0.31 C ATOM 1817 CG GLU A 114 5.422 -0.545 -11.240 1.00 0.49 C ATOM 1818 CD GLU A 114 5.535 -1.052 -12.679 1.00 1.06 C ATOM 1819 OE1 GLU A 114 4.860 -2.014 -13.003 1.00 2.40 O ATOM 1820 OE2 GLU A 114 6.296 -0.467 -13.433 1.00 1.02 O ATOM 0 H GLU A 114 6.778 -2.858 -8.269 1.00 0.19 H new ATOM 0 HA GLU A 114 4.850 -0.727 -8.700 1.00 0.26 H new ATOM 0 HB2 GLU A 114 7.041 -1.258 -9.997 1.00 0.31 H new ATOM 0 HB3 GLU A 114 6.138 -2.535 -10.790 1.00 0.31 H new ATOM 0 HG2 GLU A 114 4.376 -0.377 -10.983 1.00 0.49 H new ATOM 0 HG3 GLU A 114 5.933 0.413 -11.139 1.00 0.49 H new ATOM 1827 N ASN A 115 4.083 -3.657 -10.039 1.00 0.18 N ATOM 1828 CA ASN A 115 2.908 -4.495 -10.410 1.00 0.15 C ATOM 1829 C ASN A 115 1.987 -4.639 -9.197 1.00 0.17 C ATOM 1830 O ASN A 115 0.780 -4.544 -9.307 1.00 0.18 O ATOM 1831 CB ASN A 115 3.385 -5.879 -10.855 1.00 0.12 C ATOM 1832 CG ASN A 115 4.214 -5.746 -12.133 1.00 0.12 C ATOM 1833 OD1 ASN A 115 4.105 -6.560 -13.029 1.00 0.77 O ATOM 1834 ND2 ASN A 115 5.047 -4.749 -12.256 1.00 1.07 N ATOM 0 H ASN A 115 4.990 -4.032 -10.318 1.00 0.18 H new ATOM 0 HA ASN A 115 2.366 -4.020 -11.228 1.00 0.15 H new ATOM 0 HB2 ASN A 115 3.982 -6.340 -10.068 1.00 0.12 H new ATOM 0 HB3 ASN A 115 2.530 -6.531 -11.030 1.00 0.12 H new ATOM 0 HD21 ASN A 115 5.606 -4.653 -13.104 1.00 1.07 H new ATOM 0 HD22 ASN A 115 5.139 -4.066 -11.504 1.00 1.07 H new ATOM 1841 N PHE A 116 2.545 -4.868 -8.041 1.00 0.18 N ATOM 1842 CA PHE A 116 1.702 -5.016 -6.822 1.00 0.20 C ATOM 1843 C PHE A 116 0.814 -3.780 -6.667 1.00 0.19 C ATOM 1844 O PHE A 116 -0.359 -3.880 -6.367 1.00 0.21 O ATOM 1845 CB PHE A 116 2.602 -5.156 -5.592 1.00 0.23 C ATOM 1846 CG PHE A 116 1.756 -5.122 -4.342 1.00 0.23 C ATOM 1847 CD1 PHE A 116 1.421 -3.897 -3.756 1.00 0.18 C ATOM 1848 CD2 PHE A 116 1.309 -6.319 -3.768 1.00 0.29 C ATOM 1849 CE1 PHE A 116 0.637 -3.866 -2.597 1.00 0.18 C ATOM 1850 CE2 PHE A 116 0.525 -6.288 -2.609 1.00 0.29 C ATOM 1851 CZ PHE A 116 0.189 -5.062 -2.023 1.00 0.24 C ATOM 0 H PHE A 116 3.549 -4.959 -7.888 1.00 0.18 H new ATOM 0 HA PHE A 116 1.077 -5.904 -6.916 1.00 0.20 H new ATOM 0 HB2 PHE A 116 3.160 -6.091 -5.641 1.00 0.23 H new ATOM 0 HB3 PHE A 116 3.334 -4.349 -5.570 1.00 0.23 H new ATOM 0 HD1 PHE A 116 1.767 -2.975 -4.198 1.00 0.18 H new ATOM 0 HD2 PHE A 116 1.569 -7.265 -4.219 1.00 0.29 H new ATOM 0 HE1 PHE A 116 0.378 -2.920 -2.145 1.00 0.18 H new ATOM 0 HE2 PHE A 116 0.179 -7.210 -2.167 1.00 0.29 H new ATOM 0 HZ PHE A 116 -0.416 -5.039 -1.128 1.00 0.24 H new ATOM 1861 N LEU A 117 1.364 -2.614 -6.871 1.00 0.18 N ATOM 1862 CA LEU A 117 0.550 -1.373 -6.737 1.00 0.17 C ATOM 1863 C LEU A 117 -0.394 -1.249 -7.934 1.00 0.11 C ATOM 1864 O LEU A 117 -1.357 -0.508 -7.902 1.00 0.13 O ATOM 1865 CB LEU A 117 1.480 -0.157 -6.693 1.00 0.20 C ATOM 1866 CG LEU A 117 1.760 0.223 -5.238 1.00 0.34 C ATOM 1867 CD1 LEU A 117 3.025 1.080 -5.167 1.00 0.38 C ATOM 1868 CD2 LEU A 117 0.578 1.021 -4.676 1.00 0.33 C ATOM 0 H LEU A 117 2.341 -2.467 -7.124 1.00 0.18 H new ATOM 0 HA LEU A 117 -0.034 -1.419 -5.818 1.00 0.17 H new ATOM 0 HB2 LEU A 117 2.415 -0.383 -7.207 1.00 0.20 H new ATOM 0 HB3 LEU A 117 1.023 0.682 -7.217 1.00 0.20 H new ATOM 0 HG LEU A 117 1.899 -0.685 -4.651 1.00 0.34 H new ATOM 0 HD11 LEU A 117 3.224 1.350 -4.130 1.00 0.38 H new ATOM 0 HD12 LEU A 117 3.869 0.516 -5.563 1.00 0.38 H new ATOM 0 HD13 LEU A 117 2.885 1.985 -5.757 1.00 0.38 H new ATOM 0 HD21 LEU A 117 0.781 1.290 -3.639 1.00 0.33 H new ATOM 0 HD22 LEU A 117 0.438 1.927 -5.265 1.00 0.33 H new ATOM 0 HD23 LEU A 117 -0.326 0.414 -4.723 1.00 0.33 H new ATOM 1880 N GLU A 118 -0.128 -1.969 -8.988 1.00 0.16 N ATOM 1881 CA GLU A 118 -1.011 -1.891 -10.186 1.00 0.10 C ATOM 1882 C GLU A 118 -2.289 -2.693 -9.933 1.00 0.16 C ATOM 1883 O GLU A 118 -3.383 -2.164 -9.968 1.00 0.23 O ATOM 1884 CB GLU A 118 -0.279 -2.469 -11.399 1.00 0.07 C ATOM 1885 CG GLU A 118 -0.960 -1.992 -12.683 1.00 0.06 C ATOM 1886 CD GLU A 118 -0.337 -2.703 -13.886 1.00 1.22 C ATOM 1887 OE1 GLU A 118 0.023 -3.861 -13.744 1.00 2.62 O ATOM 1888 OE2 GLU A 118 -0.233 -2.081 -14.929 1.00 1.51 O ATOM 0 H GLU A 118 0.662 -2.608 -9.072 1.00 0.16 H new ATOM 0 HA GLU A 118 -1.268 -0.849 -10.379 1.00 0.10 H new ATOM 0 HB2 GLU A 118 0.765 -2.155 -11.390 1.00 0.07 H new ATOM 0 HB3 GLU A 118 -0.285 -3.558 -11.355 1.00 0.07 H new ATOM 0 HG2 GLU A 118 -2.029 -2.199 -12.639 1.00 0.06 H new ATOM 0 HG3 GLU A 118 -0.848 -0.913 -12.787 1.00 0.06 H new ATOM 1895 N ARG A 119 -2.162 -3.966 -9.679 1.00 0.18 N ATOM 1896 CA ARG A 119 -3.371 -4.800 -9.426 1.00 0.24 C ATOM 1897 C ARG A 119 -4.130 -4.247 -8.219 1.00 0.26 C ATOM 1898 O ARG A 119 -5.343 -4.294 -8.162 1.00 0.28 O ATOM 1899 CB ARG A 119 -2.945 -6.243 -9.144 1.00 0.31 C ATOM 1900 CG ARG A 119 -2.110 -6.289 -7.863 1.00 0.41 C ATOM 1901 CD ARG A 119 -1.091 -7.426 -7.958 1.00 0.27 C ATOM 1902 NE ARG A 119 -1.690 -8.569 -8.702 1.00 0.43 N ATOM 1903 CZ ARG A 119 -0.926 -9.520 -9.164 1.00 0.53 C ATOM 1904 NH1 ARG A 119 0.365 -9.469 -8.975 1.00 0.77 N ATOM 1905 NH2 ARG A 119 -1.450 -10.521 -9.816 1.00 0.66 N ATOM 0 H ARG A 119 -1.273 -4.465 -9.636 1.00 0.18 H new ATOM 0 HA ARG A 119 -4.018 -4.777 -10.303 1.00 0.24 H new ATOM 0 HB2 ARG A 119 -3.824 -6.879 -9.040 1.00 0.31 H new ATOM 0 HB3 ARG A 119 -2.367 -6.633 -9.982 1.00 0.31 H new ATOM 0 HG2 ARG A 119 -1.597 -5.338 -7.716 1.00 0.41 H new ATOM 0 HG3 ARG A 119 -2.758 -6.438 -6.999 1.00 0.41 H new ATOM 0 HD2 ARG A 119 -0.190 -7.080 -8.465 1.00 0.27 H new ATOM 0 HD3 ARG A 119 -0.792 -7.745 -6.960 1.00 0.27 H new ATOM 0 HE ARG A 119 -2.698 -8.608 -8.850 1.00 0.43 H new ATOM 0 HH11 ARG A 119 0.775 -8.686 -8.466 1.00 0.77 H new ATOM 0 HH12 ARG A 119 0.963 -10.212 -9.336 1.00 0.77 H new ATOM 0 HH21 ARG A 119 -2.458 -10.561 -9.965 1.00 0.66 H new ATOM 0 HH22 ARG A 119 -0.851 -11.264 -10.177 1.00 0.66 H new ATOM 1919 N LEU A 120 -3.428 -3.721 -7.252 1.00 0.25 N ATOM 1920 CA LEU A 120 -4.115 -3.165 -6.051 1.00 0.26 C ATOM 1921 C LEU A 120 -5.029 -2.016 -6.482 1.00 0.30 C ATOM 1922 O LEU A 120 -6.226 -2.050 -6.274 1.00 0.30 O ATOM 1923 CB LEU A 120 -3.066 -2.646 -5.062 1.00 0.28 C ATOM 1924 CG LEU A 120 -3.673 -2.551 -3.656 1.00 0.28 C ATOM 1925 CD1 LEU A 120 -2.588 -2.136 -2.662 1.00 0.31 C ATOM 1926 CD2 LEU A 120 -4.798 -1.512 -3.639 1.00 0.31 C ATOM 0 H LEU A 120 -2.410 -3.652 -7.242 1.00 0.25 H new ATOM 0 HA LEU A 120 -4.710 -3.943 -5.572 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -2.204 -3.313 -5.051 1.00 0.28 H new ATOM 0 HB3 LEU A 120 -2.708 -1.667 -5.379 1.00 0.28 H new ATOM 0 HG LEU A 120 -4.079 -3.523 -3.377 1.00 0.28 H new ATOM 0 HD11 LEU A 120 -3.017 -2.068 -1.662 1.00 0.31 H new ATOM 0 HD12 LEU A 120 -1.789 -2.878 -2.664 1.00 0.31 H new ATOM 0 HD13 LEU A 120 -2.183 -1.166 -2.950 1.00 0.31 H new ATOM 0 HD21 LEU A 120 -5.223 -1.452 -2.637 1.00 0.31 H new ATOM 0 HD22 LEU A 120 -4.398 -0.538 -3.923 1.00 0.31 H new ATOM 0 HD23 LEU A 120 -5.575 -1.805 -4.345 1.00 0.31 H new ATOM 1938 N LYS A 121 -4.474 -0.998 -7.081 1.00 0.33 N ATOM 1939 CA LYS A 121 -5.312 0.152 -7.524 1.00 0.37 C ATOM 1940 C LYS A 121 -6.460 -0.359 -8.397 1.00 0.34 C ATOM 1941 O LYS A 121 -7.567 0.138 -8.337 1.00 0.41 O ATOM 1942 CB LYS A 121 -4.452 1.128 -8.330 1.00 0.37 C ATOM 1943 CG LYS A 121 -5.251 2.403 -8.610 1.00 0.42 C ATOM 1944 CD LYS A 121 -4.402 3.364 -9.445 1.00 0.33 C ATOM 1945 CE LYS A 121 -4.624 3.081 -10.932 1.00 0.74 C ATOM 1946 NZ LYS A 121 -5.802 3.859 -11.414 1.00 2.14 N ATOM 0 H LYS A 121 -3.478 -0.913 -7.283 1.00 0.33 H new ATOM 0 HA LYS A 121 -5.720 0.662 -6.651 1.00 0.37 H new ATOM 0 HB2 LYS A 121 -3.543 1.370 -7.778 1.00 0.37 H new ATOM 0 HB3 LYS A 121 -4.142 0.667 -9.268 1.00 0.37 H new ATOM 0 HG2 LYS A 121 -6.171 2.159 -9.141 1.00 0.42 H new ATOM 0 HG3 LYS A 121 -5.540 2.877 -7.672 1.00 0.42 H new ATOM 0 HD2 LYS A 121 -4.670 4.395 -9.216 1.00 0.33 H new ATOM 0 HD3 LYS A 121 -3.348 3.246 -9.195 1.00 0.33 H new ATOM 0 HE2 LYS A 121 -3.736 3.354 -11.502 1.00 0.74 H new ATOM 0 HE3 LYS A 121 -4.789 2.015 -11.090 1.00 0.74 H new ATOM 0 HZ1 LYS A 121 -6.132 3.465 -12.318 1.00 2.14 H new ATOM 0 HZ2 LYS A 121 -6.567 3.802 -10.712 1.00 2.14 H new ATOM 0 HZ3 LYS A 121 -5.530 4.854 -11.549 1.00 2.14 H new ATOM 1960 N THR A 122 -6.205 -1.349 -9.208 1.00 0.28 N ATOM 1961 CA THR A 122 -7.282 -1.890 -10.085 1.00 0.28 C ATOM 1962 C THR A 122 -8.375 -2.523 -9.220 1.00 0.34 C ATOM 1963 O THR A 122 -9.520 -2.118 -9.255 1.00 0.25 O ATOM 1964 CB THR A 122 -6.693 -2.949 -11.020 1.00 0.22 C ATOM 1965 OG1 THR A 122 -5.700 -2.352 -11.843 1.00 0.39 O ATOM 1966 CG2 THR A 122 -7.803 -3.531 -11.898 1.00 0.53 C ATOM 0 H THR A 122 -5.298 -1.806 -9.301 1.00 0.28 H new ATOM 0 HA THR A 122 -7.711 -1.081 -10.676 1.00 0.28 H new ATOM 0 HB THR A 122 -6.244 -3.747 -10.429 1.00 0.22 H new ATOM 0 HG1 THR A 122 -4.870 -2.249 -11.332 1.00 0.39 H new ATOM 0 HG21 THR A 122 -7.383 -4.285 -12.564 1.00 0.53 H new ATOM 0 HG22 THR A 122 -8.564 -3.988 -11.266 1.00 0.53 H new ATOM 0 HG23 THR A 122 -8.254 -2.735 -12.490 1.00 0.53 H new ATOM 1974 N ILE A 123 -8.030 -3.514 -8.444 1.00 0.49 N ATOM 1975 CA ILE A 123 -9.050 -4.171 -7.580 1.00 0.56 C ATOM 1976 C ILE A 123 -9.851 -3.102 -6.834 1.00 0.52 C ATOM 1977 O ILE A 123 -11.059 -3.177 -6.731 1.00 0.53 O ATOM 1978 CB ILE A 123 -8.351 -5.083 -6.569 1.00 0.65 C ATOM 1979 CG1 ILE A 123 -7.713 -6.263 -7.305 1.00 0.57 C ATOM 1980 CG2 ILE A 123 -9.375 -5.605 -5.560 1.00 0.90 C ATOM 1981 CD1 ILE A 123 -6.787 -7.019 -6.351 1.00 0.66 C ATOM 0 H ILE A 123 -7.087 -3.896 -8.371 1.00 0.49 H new ATOM 0 HA ILE A 123 -9.723 -4.764 -8.199 1.00 0.56 H new ATOM 0 HB ILE A 123 -7.579 -4.520 -6.044 1.00 0.65 H new ATOM 0 HG12 ILE A 123 -8.487 -6.931 -7.683 1.00 0.57 H new ATOM 0 HG13 ILE A 123 -7.151 -5.906 -8.168 1.00 0.57 H new ATOM 0 HG21 ILE A 123 -8.878 -6.255 -4.840 1.00 0.90 H new ATOM 0 HG22 ILE A 123 -9.831 -4.765 -5.036 1.00 0.90 H new ATOM 0 HG23 ILE A 123 -10.147 -6.168 -6.084 1.00 0.90 H new ATOM 0 HD11 ILE A 123 -6.332 -7.860 -6.875 1.00 0.66 H new ATOM 0 HD12 ILE A 123 -6.005 -6.348 -5.995 1.00 0.66 H new ATOM 0 HD13 ILE A 123 -7.362 -7.389 -5.502 1.00 0.66 H new ATOM 1993 N MET A 124 -9.187 -2.106 -6.314 1.00 0.49 N ATOM 1994 CA MET A 124 -9.911 -1.032 -5.577 1.00 0.46 C ATOM 1995 C MET A 124 -11.063 -0.510 -6.438 1.00 0.46 C ATOM 1996 O MET A 124 -12.218 -0.611 -6.076 1.00 0.51 O ATOM 1997 CB MET A 124 -8.947 0.113 -5.266 1.00 0.46 C ATOM 1998 CG MET A 124 -8.192 -0.191 -3.970 1.00 0.43 C ATOM 1999 SD MET A 124 -9.234 0.234 -2.552 1.00 0.89 S ATOM 2000 CE MET A 124 -8.151 1.503 -1.849 1.00 1.00 C ATOM 0 H MET A 124 -8.175 -1.990 -6.368 1.00 0.49 H new ATOM 0 HA MET A 124 -10.308 -1.435 -4.645 1.00 0.46 H new ATOM 0 HB2 MET A 124 -8.243 0.242 -6.088 1.00 0.46 H new ATOM 0 HB3 MET A 124 -9.497 1.049 -5.168 1.00 0.46 H new ATOM 0 HG2 MET A 124 -7.921 -1.246 -3.933 1.00 0.43 H new ATOM 0 HG3 MET A 124 -7.263 0.378 -3.936 1.00 0.43 H new ATOM 0 HE1 MET A 124 -8.606 1.911 -0.947 1.00 1.00 H new ATOM 0 HE2 MET A 124 -7.186 1.061 -1.601 1.00 1.00 H new ATOM 0 HE3 MET A 124 -8.007 2.302 -2.576 1.00 1.00 H new ATOM 2010 N ARG A 125 -10.757 0.048 -7.578 1.00 0.42 N ATOM 2011 CA ARG A 125 -11.835 0.575 -8.461 1.00 0.44 C ATOM 2012 C ARG A 125 -12.875 -0.520 -8.704 1.00 0.43 C ATOM 2013 O ARG A 125 -14.008 -0.248 -9.051 1.00 0.45 O ATOM 2014 CB ARG A 125 -11.231 1.012 -9.797 1.00 0.45 C ATOM 2015 CG ARG A 125 -10.938 2.514 -9.758 1.00 0.40 C ATOM 2016 CD ARG A 125 -9.883 2.857 -10.810 1.00 0.58 C ATOM 2017 NE ARG A 125 -10.177 4.197 -11.390 1.00 0.55 N ATOM 2018 CZ ARG A 125 -9.264 4.825 -12.080 1.00 0.83 C ATOM 2019 NH1 ARG A 125 -8.094 4.278 -12.262 1.00 1.55 N ATOM 2020 NH2 ARG A 125 -9.522 5.999 -12.588 1.00 1.08 N ATOM 0 H ARG A 125 -9.808 0.161 -7.935 1.00 0.42 H new ATOM 0 HA ARG A 125 -12.313 1.430 -7.982 1.00 0.44 H new ATOM 0 HB2 ARG A 125 -10.314 0.457 -9.992 1.00 0.45 H new ATOM 0 HB3 ARG A 125 -11.920 0.786 -10.611 1.00 0.45 H new ATOM 0 HG2 ARG A 125 -11.851 3.078 -9.947 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -10.585 2.801 -8.767 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -8.890 2.854 -10.360 1.00 0.58 H new ATOM 0 HD3 ARG A 125 -9.879 2.102 -11.596 1.00 0.58 H new ATOM 0 HE ARG A 125 -11.092 4.624 -11.248 1.00 0.55 H new ATOM 0 HH11 ARG A 125 -7.893 3.360 -11.865 1.00 1.55 H new ATOM 0 HH12 ARG A 125 -7.380 4.768 -12.801 1.00 1.55 H new ATOM 0 HH21 ARG A 125 -10.437 6.426 -12.446 1.00 1.08 H new ATOM 0 HH22 ARG A 125 -8.808 6.489 -13.127 1.00 1.08 H new ATOM 2034 N GLU A 126 -12.501 -1.757 -8.526 1.00 0.42 N ATOM 2035 CA GLU A 126 -13.468 -2.868 -8.747 1.00 0.42 C ATOM 2036 C GLU A 126 -14.483 -2.895 -7.601 1.00 0.46 C ATOM 2037 O GLU A 126 -15.664 -2.695 -7.800 1.00 0.40 O ATOM 2038 CB GLU A 126 -12.716 -4.200 -8.794 1.00 0.39 C ATOM 2039 CG GLU A 126 -13.488 -5.193 -9.663 1.00 0.45 C ATOM 2040 CD GLU A 126 -14.892 -5.392 -9.088 1.00 2.02 C ATOM 2041 OE1 GLU A 126 -15.762 -4.602 -9.413 1.00 3.42 O ATOM 2042 OE2 GLU A 126 -15.073 -6.333 -8.332 1.00 2.26 O ATOM 0 H GLU A 126 -11.567 -2.046 -8.237 1.00 0.42 H new ATOM 0 HA GLU A 126 -13.989 -2.713 -9.692 1.00 0.42 H new ATOM 0 HB2 GLU A 126 -11.715 -4.050 -9.197 1.00 0.39 H new ATOM 0 HB3 GLU A 126 -12.597 -4.598 -7.786 1.00 0.39 H new ATOM 0 HG2 GLU A 126 -13.552 -4.824 -10.686 1.00 0.45 H new ATOM 0 HG3 GLU A 126 -12.961 -6.146 -9.700 1.00 0.45 H new ATOM 2049 N LYS A 127 -14.030 -3.142 -6.402 1.00 0.60 N ATOM 2050 CA LYS A 127 -14.969 -3.181 -5.245 1.00 0.64 C ATOM 2051 C LYS A 127 -15.541 -1.782 -5.007 1.00 0.70 C ATOM 2052 O LYS A 127 -16.565 -1.620 -4.372 1.00 0.89 O ATOM 2053 CB LYS A 127 -14.218 -3.645 -3.995 1.00 0.62 C ATOM 2054 CG LYS A 127 -13.521 -4.977 -4.283 1.00 0.62 C ATOM 2055 CD LYS A 127 -13.095 -5.625 -2.964 1.00 0.38 C ATOM 2056 CE LYS A 127 -12.489 -7.002 -3.244 1.00 0.84 C ATOM 2057 NZ LYS A 127 -11.578 -6.913 -4.420 1.00 1.36 N ATOM 0 H LYS A 127 -13.052 -3.318 -6.174 1.00 0.60 H new ATOM 0 HA LYS A 127 -15.782 -3.875 -5.459 1.00 0.64 H new ATOM 0 HB2 LYS A 127 -13.484 -2.895 -3.699 1.00 0.62 H new ATOM 0 HB3 LYS A 127 -14.912 -3.758 -3.162 1.00 0.62 H new ATOM 0 HG2 LYS A 127 -14.193 -5.641 -4.827 1.00 0.62 H new ATOM 0 HG3 LYS A 127 -12.651 -4.814 -4.919 1.00 0.62 H new ATOM 0 HD2 LYS A 127 -12.368 -4.993 -2.454 1.00 0.38 H new ATOM 0 HD3 LYS A 127 -13.954 -5.722 -2.300 1.00 0.38 H new ATOM 0 HE2 LYS A 127 -11.940 -7.354 -2.371 1.00 0.84 H new ATOM 0 HE3 LYS A 127 -13.280 -7.727 -3.437 1.00 0.84 H new ATOM 0 HZ1 LYS A 127 -10.799 -7.593 -4.308 1.00 1.36 H new ATOM 0 HZ2 LYS A 127 -12.108 -7.134 -5.287 1.00 1.36 H new ATOM 0 HZ3 LYS A 127 -11.191 -5.950 -4.487 1.00 1.36 H new ATOM 2071 N TYR A 128 -14.889 -0.770 -5.511 1.00 0.57 N ATOM 2072 CA TYR A 128 -15.396 0.616 -5.313 1.00 0.61 C ATOM 2073 C TYR A 128 -16.750 0.769 -6.008 1.00 0.64 C ATOM 2074 O TYR A 128 -17.334 1.833 -6.025 1.00 0.67 O ATOM 2075 CB TYR A 128 -14.399 1.612 -5.910 1.00 0.54 C ATOM 2076 CG TYR A 128 -14.764 3.013 -5.479 1.00 0.53 C ATOM 2077 CD1 TYR A 128 -14.343 3.493 -4.233 1.00 0.53 C ATOM 2078 CD2 TYR A 128 -15.521 3.831 -6.326 1.00 0.54 C ATOM 2079 CE1 TYR A 128 -14.681 4.791 -3.833 1.00 0.53 C ATOM 2080 CE2 TYR A 128 -15.859 5.130 -5.925 1.00 0.54 C ATOM 2081 CZ TYR A 128 -15.439 5.610 -4.680 1.00 0.53 C ATOM 2082 OH TYR A 128 -15.771 6.890 -4.286 1.00 0.54 O ATOM 0 H TYR A 128 -14.027 -0.844 -6.051 1.00 0.57 H new ATOM 0 HA TYR A 128 -15.512 0.812 -4.247 1.00 0.61 H new ATOM 0 HB2 TYR A 128 -13.388 1.371 -5.582 1.00 0.54 H new ATOM 0 HB3 TYR A 128 -14.406 1.542 -6.998 1.00 0.54 H new ATOM 0 HD1 TYR A 128 -13.758 2.862 -3.581 1.00 0.53 H new ATOM 0 HD2 TYR A 128 -15.844 3.461 -7.288 1.00 0.54 H new ATOM 0 HE1 TYR A 128 -14.357 5.161 -2.871 1.00 0.53 H new ATOM 0 HE2 TYR A 128 -16.444 5.761 -6.577 1.00 0.54 H new ATOM 0 HH TYR A 128 -16.298 7.323 -4.990 1.00 0.54 H new