USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=31 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 170:sc= 0.052 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.449 K(o=-0.4,f=0.13) USER MOD Set 2.1: A 40 SER OG : rot 27:sc= 0.143 USER MOD Set 2.2: A 43 THR OG1 : rot 28:sc= -1.86 USER MOD Set 3.1: A 32 THR OG1 : rot 5:sc= 0.456! USER MOD Set 3.2: A 110 GLN : amide:sc= 0 X(o=0.46,f=0.81) USER MOD Set 4.1: A 12 GLN : amide:sc= -0.102 K(o=-0.1,f=0.97) USER MOD Set 4.2: A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 98:sc= 0.0515 USER MOD Single : A 16 LYS NZ :NH3+ -97:sc= -0.224 (180deg=-0.963) USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.606 USER MOD Single : A 19 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -79:sc= 0.815 USER MOD Single : A 24 GLN : amide:sc= -3.75! C(o=-3.7!,f=-7.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.223 USER MOD Single : A 29 THR OG1 : rot -84:sc= 0.42 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.497 (180deg=-1.57!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -0.174 (180deg=-1.03) USER MOD Single : A 48 THR OG1 : rot 59:sc= 0.0784 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00471 USER MOD Single : A 58 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.44) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot 80:sc= 0.915 USER MOD Single : A 62 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.51) USER MOD Single : A 63 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0831 USER MOD Single : A 75 GLN : amide:sc= -1.09! K(o=-1.1!,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.489 K(o=-0.49,f=-3.1!) USER MOD Single : A 78 HIS : no HE2:sc= -0.24 X(o=-0.24,f=-0.32) USER MOD Single : A 80 HIS : no HE2:sc= -3.08! C(o=-3.1!,f=-5.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.222) USER MOD Single : A 93 ASN : amide:sc= -6.42! K(o=-6.4!,f=-2) USER MOD Single : A 101 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.096) USER MOD Single : A 102 SER OG : rot 34:sc= 0.256 USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.104) USER MOD Single : A 111 SER OG : rot -160:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -132:sc= -1.55 (180deg=-3.1!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0226) USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.857 6.884 0.676 1.00 1.09 N ATOM 103 CA ASP A 8 -16.790 7.122 1.688 1.00 1.03 C ATOM 104 C ASP A 8 -15.673 7.961 1.064 1.00 0.86 C ATOM 105 O ASP A 8 -15.061 7.570 0.090 1.00 0.61 O ATOM 106 CB ASP A 8 -16.221 5.781 2.155 1.00 0.96 C ATOM 107 CG ASP A 8 -16.397 5.651 3.670 1.00 1.40 C ATOM 108 OD1 ASP A 8 -15.645 6.287 4.390 1.00 1.55 O ATOM 109 OD2 ASP A 8 -17.279 4.918 4.084 1.00 2.23 O ATOM 0 HA ASP A 8 -17.211 7.654 2.541 1.00 1.03 H new ATOM 0 HB2 ASP A 8 -16.730 4.962 1.648 1.00 0.96 H new ATOM 0 HB3 ASP A 8 -15.165 5.711 1.894 1.00 0.96 H new ATOM 114 N ILE A 9 -15.401 9.111 1.618 1.00 1.07 N ATOM 115 CA ILE A 9 -14.324 9.972 1.055 1.00 0.93 C ATOM 116 C ILE A 9 -12.960 9.346 1.358 1.00 0.72 C ATOM 117 O ILE A 9 -11.995 9.565 0.653 1.00 0.55 O ATOM 118 CB ILE A 9 -14.399 11.362 1.690 1.00 1.06 C ATOM 119 CG1 ILE A 9 -13.112 12.132 1.382 1.00 0.78 C ATOM 120 CG2 ILE A 9 -14.560 11.225 3.204 1.00 1.18 C ATOM 121 CD1 ILE A 9 -13.399 13.635 1.403 1.00 1.10 C ATOM 0 H ILE A 9 -15.878 9.491 2.436 1.00 1.07 H new ATOM 0 HA ILE A 9 -14.453 10.057 -0.024 1.00 0.93 H new ATOM 0 HB ILE A 9 -15.254 11.902 1.282 1.00 1.06 H new ATOM 0 HG12 ILE A 9 -12.345 11.887 2.116 1.00 0.78 H new ATOM 0 HG13 ILE A 9 -12.725 11.839 0.406 1.00 0.78 H new ATOM 0 HG21 ILE A 9 -14.613 12.216 3.655 1.00 1.18 H new ATOM 0 HG22 ILE A 9 -15.476 10.676 3.424 1.00 1.18 H new ATOM 0 HG23 ILE A 9 -13.706 10.685 3.613 1.00 1.18 H new ATOM 0 HD11 ILE A 9 -12.483 14.183 1.184 1.00 1.10 H new ATOM 0 HD12 ILE A 9 -14.152 13.872 0.652 1.00 1.10 H new ATOM 0 HD13 ILE A 9 -13.766 13.922 2.388 1.00 1.10 H new ATOM 133 N THR A 10 -12.873 8.570 2.403 1.00 0.79 N ATOM 134 CA THR A 10 -11.573 7.930 2.751 1.00 0.69 C ATOM 135 C THR A 10 -11.060 7.133 1.551 1.00 0.54 C ATOM 136 O THR A 10 -9.907 7.226 1.178 1.00 0.40 O ATOM 137 CB THR A 10 -11.770 6.987 3.940 1.00 0.87 C ATOM 138 OG1 THR A 10 -12.655 7.587 4.876 1.00 1.03 O ATOM 139 CG2 THR A 10 -10.421 6.718 4.610 1.00 0.88 C ATOM 0 H THR A 10 -13.646 8.351 3.031 1.00 0.79 H new ATOM 0 HA THR A 10 -10.848 8.701 3.014 1.00 0.69 H new ATOM 0 HB THR A 10 -12.193 6.045 3.591 1.00 0.87 H new ATOM 0 HG1 THR A 10 -13.559 7.233 4.745 1.00 1.03 H new ATOM 0 HG21 THR A 10 -10.563 6.046 5.457 1.00 0.88 H new ATOM 0 HG22 THR A 10 -9.743 6.258 3.891 1.00 0.88 H new ATOM 0 HG23 THR A 10 -9.995 7.658 4.960 1.00 0.88 H new ATOM 147 N LEU A 11 -11.907 6.350 0.941 1.00 0.61 N ATOM 148 CA LEU A 11 -11.467 5.547 -0.233 1.00 0.48 C ATOM 149 C LEU A 11 -11.045 6.488 -1.364 1.00 0.35 C ATOM 150 O LEU A 11 -10.302 6.116 -2.250 1.00 0.26 O ATOM 151 CB LEU A 11 -12.627 4.666 -0.708 1.00 0.49 C ATOM 152 CG LEU A 11 -12.771 3.454 0.220 1.00 0.28 C ATOM 153 CD1 LEU A 11 -14.181 2.877 0.082 1.00 0.43 C ATOM 154 CD2 LEU A 11 -11.750 2.372 -0.156 1.00 0.74 C ATOM 0 H LEU A 11 -12.885 6.232 1.206 1.00 0.61 H new ATOM 0 HA LEU A 11 -10.623 4.918 0.050 1.00 0.48 H new ATOM 0 HB2 LEU A 11 -13.553 5.241 -0.717 1.00 0.49 H new ATOM 0 HB3 LEU A 11 -12.449 4.334 -1.731 1.00 0.49 H new ATOM 0 HG LEU A 11 -12.594 3.773 1.247 1.00 0.28 H new ATOM 0 HD11 LEU A 11 -14.287 2.015 0.740 1.00 0.43 H new ATOM 0 HD12 LEU A 11 -14.913 3.636 0.357 1.00 0.43 H new ATOM 0 HD13 LEU A 11 -14.348 2.568 -0.950 1.00 0.43 H new ATOM 0 HD21 LEU A 11 -11.863 1.517 0.511 1.00 0.74 H new ATOM 0 HD22 LEU A 11 -11.919 2.054 -1.185 1.00 0.74 H new ATOM 0 HD23 LEU A 11 -10.742 2.775 -0.061 1.00 0.74 H new ATOM 166 N GLN A 12 -11.512 7.706 -1.339 1.00 0.40 N ATOM 167 CA GLN A 12 -11.138 8.670 -2.411 1.00 0.35 C ATOM 168 C GLN A 12 -9.711 9.170 -2.171 1.00 0.27 C ATOM 169 O GLN A 12 -8.799 8.848 -2.906 1.00 0.17 O ATOM 170 CB GLN A 12 -12.104 9.857 -2.390 1.00 0.51 C ATOM 171 CG GLN A 12 -11.948 10.665 -3.680 1.00 0.58 C ATOM 172 CD GLN A 12 -13.045 10.264 -4.668 1.00 1.82 C ATOM 173 OE1 GLN A 12 -14.008 10.983 -4.849 1.00 1.97 O ATOM 174 NE2 GLN A 12 -12.939 9.139 -5.320 1.00 3.39 N ATOM 0 H GLN A 12 -12.137 8.075 -0.622 1.00 0.40 H new ATOM 0 HA GLN A 12 -11.192 8.175 -3.380 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -13.130 9.503 -2.292 1.00 0.51 H new ATOM 0 HB3 GLN A 12 -11.901 10.489 -1.526 1.00 0.51 H new ATOM 0 HG2 GLN A 12 -12.011 11.731 -3.464 1.00 0.58 H new ATOM 0 HG3 GLN A 12 -10.966 10.486 -4.118 1.00 0.58 H new ATOM 0 HE21 GLN A 12 -12.131 8.536 -5.168 1.00 3.39 H new ATOM 0 HE22 GLN A 12 -13.664 8.863 -5.982 1.00 3.39 H new ATOM 183 N GLU A 13 -9.510 9.955 -1.148 1.00 0.38 N ATOM 184 CA GLU A 13 -8.144 10.474 -0.863 1.00 0.31 C ATOM 185 C GLU A 13 -7.138 9.322 -0.928 1.00 0.22 C ATOM 186 O GLU A 13 -5.965 9.522 -1.178 1.00 0.16 O ATOM 187 CB GLU A 13 -8.115 11.098 0.533 1.00 0.33 C ATOM 188 CG GLU A 13 -7.948 9.997 1.583 1.00 0.33 C ATOM 189 CD GLU A 13 -8.456 10.499 2.936 1.00 1.21 C ATOM 190 OE1 GLU A 13 -9.532 11.073 2.967 1.00 2.58 O ATOM 191 OE2 GLU A 13 -7.760 10.301 3.918 1.00 1.00 O ATOM 0 H GLU A 13 -10.234 10.259 -0.497 1.00 0.38 H new ATOM 0 HA GLU A 13 -7.881 11.230 -1.603 1.00 0.31 H new ATOM 0 HB2 GLU A 13 -7.295 11.812 0.606 1.00 0.33 H new ATOM 0 HB3 GLU A 13 -9.036 11.651 0.715 1.00 0.33 H new ATOM 0 HG2 GLU A 13 -8.501 9.107 1.283 1.00 0.33 H new ATOM 0 HG3 GLU A 13 -6.899 9.710 1.660 1.00 0.33 H new ATOM 198 N ILE A 14 -7.587 8.117 -0.705 1.00 0.24 N ATOM 199 CA ILE A 14 -6.656 6.955 -0.756 1.00 0.20 C ATOM 200 C ILE A 14 -6.215 6.716 -2.201 1.00 0.15 C ATOM 201 O ILE A 14 -5.049 6.806 -2.528 1.00 0.21 O ATOM 202 CB ILE A 14 -7.368 5.708 -0.226 1.00 0.28 C ATOM 203 CG1 ILE A 14 -7.357 5.729 1.304 1.00 0.33 C ATOM 204 CG2 ILE A 14 -6.644 4.457 -0.724 1.00 0.29 C ATOM 205 CD1 ILE A 14 -8.336 4.680 1.835 1.00 0.46 C ATOM 0 H ILE A 14 -8.557 7.887 -0.490 1.00 0.24 H new ATOM 0 HA ILE A 14 -5.781 7.163 -0.140 1.00 0.20 H new ATOM 0 HB ILE A 14 -8.398 5.697 -0.583 1.00 0.28 H new ATOM 0 HG12 ILE A 14 -6.352 5.525 1.674 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -7.635 6.718 1.667 1.00 0.33 H new ATOM 0 HG21 ILE A 14 -7.151 3.569 -0.347 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -6.650 4.443 -1.814 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -5.614 4.466 -0.367 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -8.329 4.694 2.925 1.00 0.46 H new ATOM 0 HD12 ILE A 14 -9.340 4.905 1.476 1.00 0.46 H new ATOM 0 HD13 ILE A 14 -8.037 3.693 1.483 1.00 0.46 H new ATOM 217 N ILE A 15 -7.141 6.412 -3.070 1.00 0.10 N ATOM 218 CA ILE A 15 -6.773 6.168 -4.494 1.00 0.15 C ATOM 219 C ILE A 15 -5.872 7.300 -4.988 1.00 0.19 C ATOM 220 O ILE A 15 -4.820 7.069 -5.551 1.00 0.28 O ATOM 221 CB ILE A 15 -8.042 6.116 -5.346 1.00 0.21 C ATOM 222 CG1 ILE A 15 -8.807 4.826 -5.043 1.00 0.17 C ATOM 223 CG2 ILE A 15 -7.665 6.147 -6.828 1.00 0.30 C ATOM 224 CD1 ILE A 15 -10.264 4.979 -5.485 1.00 0.19 C ATOM 0 H ILE A 15 -8.134 6.322 -2.856 1.00 0.10 H new ATOM 0 HA ILE A 15 -6.242 5.220 -4.576 1.00 0.15 H new ATOM 0 HB ILE A 15 -8.670 6.976 -5.113 1.00 0.21 H new ATOM 0 HG12 ILE A 15 -8.345 3.986 -5.562 1.00 0.17 H new ATOM 0 HG13 ILE A 15 -8.761 4.606 -3.977 1.00 0.17 H new ATOM 0 HG21 ILE A 15 -8.570 6.110 -7.434 1.00 0.30 H new ATOM 0 HG22 ILE A 15 -7.120 7.065 -7.046 1.00 0.30 H new ATOM 0 HG23 ILE A 15 -7.036 5.288 -7.062 1.00 0.30 H new ATOM 0 HD11 ILE A 15 -10.808 4.060 -5.269 1.00 0.19 H new ATOM 0 HD12 ILE A 15 -10.723 5.808 -4.946 1.00 0.19 H new ATOM 0 HD13 ILE A 15 -10.300 5.179 -6.556 1.00 0.19 H new ATOM 236 N LYS A 16 -6.275 8.524 -4.783 1.00 0.15 N ATOM 237 CA LYS A 16 -5.440 9.671 -5.240 1.00 0.17 C ATOM 238 C LYS A 16 -4.007 9.490 -4.735 1.00 0.16 C ATOM 239 O LYS A 16 -3.052 9.720 -5.450 1.00 0.18 O ATOM 240 CB LYS A 16 -6.016 10.975 -4.686 1.00 0.19 C ATOM 241 CG LYS A 16 -7.525 11.015 -4.938 1.00 0.96 C ATOM 242 CD LYS A 16 -7.906 12.367 -5.544 1.00 0.55 C ATOM 243 CE LYS A 16 -7.527 13.487 -4.573 1.00 1.06 C ATOM 244 NZ LYS A 16 -6.389 14.269 -5.134 1.00 2.45 N ATOM 0 H LYS A 16 -7.147 8.780 -4.319 1.00 0.15 H new ATOM 0 HA LYS A 16 -5.440 9.709 -6.329 1.00 0.17 H new ATOM 0 HB2 LYS A 16 -5.813 11.050 -3.618 1.00 0.19 H new ATOM 0 HB3 LYS A 16 -5.534 11.829 -5.162 1.00 0.19 H new ATOM 0 HG2 LYS A 16 -7.813 10.208 -5.612 1.00 0.96 H new ATOM 0 HG3 LYS A 16 -8.065 10.858 -4.004 1.00 0.96 H new ATOM 0 HD2 LYS A 16 -7.394 12.508 -6.496 1.00 0.55 H new ATOM 0 HD3 LYS A 16 -8.976 12.397 -5.750 1.00 0.55 H new ATOM 0 HE2 LYS A 16 -8.383 14.141 -4.404 1.00 1.06 H new ATOM 0 HE3 LYS A 16 -7.251 13.066 -3.606 1.00 1.06 H new ATOM 0 HZ1 LYS A 16 -5.497 13.925 -4.725 1.00 2.45 H new ATOM 0 HZ2 LYS A 16 -6.364 14.153 -6.167 1.00 2.45 H new ATOM 0 HZ3 LYS A 16 -6.511 15.275 -4.901 1.00 2.45 H new ATOM 258 N THR A 17 -3.850 9.079 -3.507 1.00 0.14 N ATOM 259 CA THR A 17 -2.479 8.883 -2.956 1.00 0.13 C ATOM 260 C THR A 17 -1.724 7.871 -3.821 1.00 0.13 C ATOM 261 O THR A 17 -0.544 8.013 -4.073 1.00 0.26 O ATOM 262 CB THR A 17 -2.574 8.358 -1.522 1.00 0.11 C ATOM 263 OG1 THR A 17 -3.602 9.055 -0.833 1.00 0.23 O ATOM 264 CG2 THR A 17 -1.239 8.576 -0.807 1.00 0.25 C ATOM 0 H THR A 17 -4.611 8.870 -2.861 1.00 0.14 H new ATOM 0 HA THR A 17 -1.947 9.834 -2.959 1.00 0.13 H new ATOM 0 HB THR A 17 -2.804 7.293 -1.539 1.00 0.11 H new ATOM 0 HG1 THR A 17 -4.455 8.590 -0.961 1.00 0.23 H new ATOM 0 HG21 THR A 17 -1.308 8.202 0.214 1.00 0.25 H new ATOM 0 HG22 THR A 17 -0.451 8.041 -1.337 1.00 0.25 H new ATOM 0 HG23 THR A 17 -1.006 9.641 -0.788 1.00 0.25 H new ATOM 272 N LEU A 18 -2.395 6.850 -4.278 1.00 0.16 N ATOM 273 CA LEU A 18 -1.716 5.831 -5.126 1.00 0.17 C ATOM 274 C LEU A 18 -1.155 6.504 -6.379 1.00 0.19 C ATOM 275 O LEU A 18 0.005 6.358 -6.708 1.00 0.27 O ATOM 276 CB LEU A 18 -2.722 4.752 -5.532 1.00 0.26 C ATOM 277 CG LEU A 18 -3.464 4.251 -4.292 1.00 0.47 C ATOM 278 CD1 LEU A 18 -4.436 3.140 -4.690 1.00 0.50 C ATOM 279 CD2 LEU A 18 -2.453 3.705 -3.281 1.00 0.55 C ATOM 0 H LEU A 18 -3.385 6.677 -4.101 1.00 0.16 H new ATOM 0 HA LEU A 18 -0.902 5.374 -4.564 1.00 0.17 H new ATOM 0 HB2 LEU A 18 -3.431 5.155 -6.255 1.00 0.26 H new ATOM 0 HB3 LEU A 18 -2.206 3.924 -6.019 1.00 0.26 H new ATOM 0 HG LEU A 18 -4.020 5.075 -3.845 1.00 0.47 H new ATOM 0 HD11 LEU A 18 -4.964 2.784 -3.805 1.00 0.50 H new ATOM 0 HD12 LEU A 18 -5.156 3.527 -5.411 1.00 0.50 H new ATOM 0 HD13 LEU A 18 -3.882 2.315 -5.138 1.00 0.50 H new ATOM 0 HD21 LEU A 18 -2.980 3.347 -2.396 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -1.898 2.882 -3.730 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -1.760 4.497 -2.995 1.00 0.55 H new ATOM 291 N ASN A 19 -1.970 7.242 -7.083 1.00 0.23 N ATOM 292 CA ASN A 19 -1.481 7.924 -8.314 1.00 0.25 C ATOM 293 C ASN A 19 -0.203 8.702 -7.991 1.00 0.22 C ATOM 294 O ASN A 19 0.740 8.710 -8.757 1.00 0.24 O ATOM 295 CB ASN A 19 -2.553 8.890 -8.821 1.00 0.31 C ATOM 296 CG ASN A 19 -3.784 8.100 -9.268 1.00 0.23 C ATOM 297 OD1 ASN A 19 -3.678 7.186 -10.061 1.00 0.96 O ATOM 298 ND2 ASN A 19 -4.956 8.416 -8.790 1.00 1.06 N ATOM 0 H ASN A 19 -2.952 7.402 -6.859 1.00 0.23 H new ATOM 0 HA ASN A 19 -1.269 7.181 -9.083 1.00 0.25 H new ATOM 0 HB2 ASN A 19 -2.825 9.593 -8.034 1.00 0.31 H new ATOM 0 HB3 ASN A 19 -2.164 9.478 -9.652 1.00 0.31 H new ATOM 0 HD21 ASN A 19 -5.783 7.896 -9.082 1.00 1.06 H new ATOM 0 HD22 ASN A 19 -5.045 9.183 -8.124 1.00 1.06 H new ATOM 305 N SER A 20 -0.164 9.354 -6.862 1.00 0.22 N ATOM 306 CA SER A 20 1.053 10.130 -6.492 1.00 0.27 C ATOM 307 C SER A 20 2.256 9.187 -6.428 1.00 0.27 C ATOM 308 O SER A 20 3.303 9.462 -6.979 1.00 0.32 O ATOM 309 CB SER A 20 0.844 10.784 -5.127 1.00 0.28 C ATOM 310 OG SER A 20 -0.277 11.655 -5.189 1.00 0.27 O ATOM 0 H SER A 20 -0.922 9.383 -6.180 1.00 0.22 H new ATOM 0 HA SER A 20 1.235 10.902 -7.240 1.00 0.27 H new ATOM 0 HB2 SER A 20 0.684 10.020 -4.366 1.00 0.28 H new ATOM 0 HB3 SER A 20 1.735 11.340 -4.837 1.00 0.28 H new ATOM 0 HG SER A 20 -0.414 12.074 -4.314 1.00 0.27 H new ATOM 316 N LEU A 21 2.116 8.075 -5.759 1.00 0.25 N ATOM 317 CA LEU A 21 3.251 7.116 -5.660 1.00 0.27 C ATOM 318 C LEU A 21 3.800 6.829 -7.059 1.00 0.29 C ATOM 319 O LEU A 21 4.995 6.750 -7.263 1.00 0.42 O ATOM 320 CB LEU A 21 2.758 5.810 -5.026 1.00 0.30 C ATOM 321 CG LEU A 21 3.027 5.821 -3.517 1.00 0.62 C ATOM 322 CD1 LEU A 21 2.088 4.826 -2.833 1.00 0.58 C ATOM 323 CD2 LEU A 21 4.477 5.401 -3.235 1.00 1.16 C ATOM 0 H LEU A 21 1.264 7.790 -5.277 1.00 0.25 H new ATOM 0 HA LEU A 21 4.040 7.546 -5.043 1.00 0.27 H new ATOM 0 HB2 LEU A 21 1.691 5.687 -5.212 1.00 0.30 H new ATOM 0 HB3 LEU A 21 3.262 4.960 -5.487 1.00 0.30 H new ATOM 0 HG LEU A 21 2.860 6.828 -3.135 1.00 0.62 H new ATOM 0 HD11 LEU A 21 2.274 4.829 -1.759 1.00 0.58 H new ATOM 0 HD12 LEU A 21 1.054 5.113 -3.023 1.00 0.58 H new ATOM 0 HD13 LEU A 21 2.266 3.826 -3.229 1.00 0.58 H new ATOM 0 HD21 LEU A 21 4.657 5.412 -2.160 1.00 1.16 H new ATOM 0 HD22 LEU A 21 4.646 4.396 -3.620 1.00 1.16 H new ATOM 0 HD23 LEU A 21 5.159 6.096 -3.724 1.00 1.16 H new ATOM 335 N THR A 22 2.936 6.673 -8.025 1.00 0.40 N ATOM 336 CA THR A 22 3.409 6.390 -9.409 1.00 0.61 C ATOM 337 C THR A 22 4.262 7.559 -9.905 1.00 0.70 C ATOM 338 O THR A 22 5.297 7.369 -10.515 1.00 0.89 O ATOM 339 CB THR A 22 2.204 6.208 -10.334 1.00 0.73 C ATOM 340 OG1 THR A 22 1.606 7.472 -10.584 1.00 0.98 O ATOM 341 CG2 THR A 22 1.184 5.280 -9.672 1.00 0.71 C ATOM 0 H THR A 22 1.923 6.729 -7.915 1.00 0.40 H new ATOM 0 HA THR A 22 4.007 5.478 -9.409 1.00 0.61 H new ATOM 0 HB THR A 22 2.532 5.768 -11.276 1.00 0.73 H new ATOM 0 HG1 THR A 22 1.052 7.729 -9.818 1.00 0.98 H new ATOM 0 HG21 THR A 22 0.326 5.152 -10.332 1.00 0.71 H new ATOM 0 HG22 THR A 22 1.644 4.310 -9.482 1.00 0.71 H new ATOM 0 HG23 THR A 22 0.854 5.716 -8.729 1.00 0.71 H new ATOM 349 N GLU A 23 3.839 8.766 -9.651 1.00 0.61 N ATOM 350 CA GLU A 23 4.628 9.944 -10.111 1.00 0.77 C ATOM 351 C GLU A 23 6.063 9.831 -9.590 1.00 0.76 C ATOM 352 O GLU A 23 7.001 10.271 -10.225 1.00 0.90 O ATOM 353 CB GLU A 23 3.990 11.228 -9.576 1.00 0.80 C ATOM 354 CG GLU A 23 2.607 11.411 -10.203 1.00 0.66 C ATOM 355 CD GLU A 23 2.584 12.706 -11.018 1.00 0.77 C ATOM 356 OE1 GLU A 23 3.054 13.711 -10.511 1.00 1.63 O ATOM 357 OE2 GLU A 23 2.094 12.670 -12.135 1.00 1.15 O ATOM 0 H GLU A 23 2.982 8.988 -9.145 1.00 0.61 H new ATOM 0 HA GLU A 23 4.638 9.971 -11.201 1.00 0.77 H new ATOM 0 HB2 GLU A 23 3.905 11.179 -8.490 1.00 0.80 H new ATOM 0 HB3 GLU A 23 4.622 12.085 -9.808 1.00 0.80 H new ATOM 0 HG2 GLU A 23 2.371 10.561 -10.844 1.00 0.66 H new ATOM 0 HG3 GLU A 23 1.845 11.445 -9.425 1.00 0.66 H new ATOM 364 N GLN A 24 6.239 9.242 -8.439 1.00 0.62 N ATOM 365 CA GLN A 24 7.612 9.099 -7.877 1.00 0.62 C ATOM 366 C GLN A 24 8.189 7.743 -8.285 1.00 0.56 C ATOM 367 O GLN A 24 7.534 6.725 -8.177 1.00 0.60 O ATOM 368 CB GLN A 24 7.550 9.189 -6.350 1.00 0.55 C ATOM 369 CG GLN A 24 7.420 10.654 -5.929 1.00 0.67 C ATOM 370 CD GLN A 24 6.244 11.296 -6.668 1.00 1.45 C ATOM 371 OE1 GLN A 24 5.104 10.936 -6.449 1.00 2.52 O ATOM 372 NE2 GLN A 24 6.474 12.237 -7.543 1.00 2.04 N ATOM 0 H GLN A 24 5.492 8.854 -7.864 1.00 0.62 H new ATOM 0 HA GLN A 24 8.248 9.896 -8.262 1.00 0.62 H new ATOM 0 HB2 GLN A 24 6.702 8.616 -5.976 1.00 0.55 H new ATOM 0 HB3 GLN A 24 8.448 8.752 -5.913 1.00 0.55 H new ATOM 0 HG2 GLN A 24 7.267 10.721 -4.852 1.00 0.67 H new ATOM 0 HG3 GLN A 24 8.341 11.191 -6.154 1.00 0.67 H new ATOM 0 HE21 GLN A 24 7.431 12.539 -7.727 1.00 2.04 H new ATOM 0 HE22 GLN A 24 5.697 12.670 -8.043 1.00 2.04 H new ATOM 381 N LYS A 25 9.411 7.725 -8.753 1.00 0.50 N ATOM 382 CA LYS A 25 10.042 6.439 -9.174 1.00 0.50 C ATOM 383 C LYS A 25 11.468 6.365 -8.623 1.00 0.47 C ATOM 384 O LYS A 25 12.256 7.276 -8.788 1.00 0.87 O ATOM 385 CB LYS A 25 10.086 6.367 -10.702 1.00 0.66 C ATOM 386 CG LYS A 25 8.661 6.374 -11.260 1.00 0.75 C ATOM 387 CD LYS A 25 8.408 7.688 -12.002 1.00 2.17 C ATOM 388 CE LYS A 25 9.239 7.718 -13.286 1.00 2.51 C ATOM 389 NZ LYS A 25 10.019 8.986 -13.345 1.00 4.24 N ATOM 0 H LYS A 25 10.001 8.550 -8.862 1.00 0.50 H new ATOM 0 HA LYS A 25 9.457 5.605 -8.786 1.00 0.50 H new ATOM 0 HB2 LYS A 25 10.647 7.213 -11.100 1.00 0.66 H new ATOM 0 HB3 LYS A 25 10.606 5.463 -11.018 1.00 0.66 H new ATOM 0 HG2 LYS A 25 8.520 5.530 -11.935 1.00 0.75 H new ATOM 0 HG3 LYS A 25 7.941 6.258 -10.450 1.00 0.75 H new ATOM 0 HD2 LYS A 25 7.349 7.785 -12.240 1.00 2.17 H new ATOM 0 HD3 LYS A 25 8.671 8.533 -11.366 1.00 2.17 H new ATOM 0 HE2 LYS A 25 9.914 6.862 -13.315 1.00 2.51 H new ATOM 0 HE3 LYS A 25 8.587 7.639 -14.156 1.00 2.51 H new ATOM 0 HZ1 LYS A 25 10.584 9.006 -14.218 1.00 4.24 H new ATOM 0 HZ2 LYS A 25 9.366 9.796 -13.336 1.00 4.24 H new ATOM 0 HZ3 LYS A 25 10.652 9.043 -12.522 1.00 4.24 H new ATOM 403 N THR A 26 11.805 5.285 -7.971 1.00 0.35 N ATOM 404 CA THR A 26 13.178 5.145 -7.410 1.00 0.35 C ATOM 405 C THR A 26 13.615 3.682 -7.511 1.00 0.28 C ATOM 406 O THR A 26 12.939 2.865 -8.103 1.00 0.26 O ATOM 407 CB THR A 26 13.177 5.576 -5.940 1.00 0.32 C ATOM 408 OG1 THR A 26 12.785 4.478 -5.128 1.00 0.35 O ATOM 409 CG2 THR A 26 12.195 6.733 -5.745 1.00 0.30 C ATOM 0 H THR A 26 11.186 4.492 -7.803 1.00 0.35 H new ATOM 0 HA THR A 26 13.869 5.775 -7.971 1.00 0.35 H new ATOM 0 HB THR A 26 14.178 5.901 -5.656 1.00 0.32 H new ATOM 0 HG1 THR A 26 12.076 4.762 -4.514 1.00 0.35 H new ATOM 0 HG21 THR A 26 12.196 7.038 -4.699 1.00 0.30 H new ATOM 0 HG22 THR A 26 12.496 7.575 -6.369 1.00 0.30 H new ATOM 0 HG23 THR A 26 11.193 6.411 -6.029 1.00 0.30 H new ATOM 417 N LEU A 27 14.738 3.341 -6.941 1.00 0.32 N ATOM 418 CA LEU A 27 15.205 1.928 -7.013 1.00 0.35 C ATOM 419 C LEU A 27 14.373 1.070 -6.057 1.00 0.30 C ATOM 420 O LEU A 27 14.422 -0.143 -6.092 1.00 0.36 O ATOM 421 CB LEU A 27 16.690 1.853 -6.632 1.00 0.52 C ATOM 422 CG LEU A 27 16.868 2.101 -5.130 1.00 0.63 C ATOM 423 CD1 LEU A 27 17.075 0.764 -4.409 1.00 0.73 C ATOM 424 CD2 LEU A 27 18.095 2.988 -4.907 1.00 0.65 C ATOM 0 H LEU A 27 15.350 3.977 -6.430 1.00 0.32 H new ATOM 0 HA LEU A 27 15.083 1.554 -8.030 1.00 0.35 H new ATOM 0 HB2 LEU A 27 17.091 0.874 -6.896 1.00 0.52 H new ATOM 0 HB3 LEU A 27 17.256 2.592 -7.199 1.00 0.52 H new ATOM 0 HG LEU A 27 15.979 2.593 -4.736 1.00 0.63 H new ATOM 0 HD11 LEU A 27 17.201 0.942 -3.341 1.00 0.73 H new ATOM 0 HD12 LEU A 27 16.206 0.125 -4.570 1.00 0.73 H new ATOM 0 HD13 LEU A 27 17.965 0.272 -4.803 1.00 0.73 H new ATOM 0 HD21 LEU A 27 18.225 3.167 -3.840 1.00 0.65 H new ATOM 0 HD22 LEU A 27 18.980 2.490 -5.302 1.00 0.65 H new ATOM 0 HD23 LEU A 27 17.954 3.939 -5.420 1.00 0.65 H new ATOM 436 N CYS A 28 13.605 1.694 -5.206 1.00 0.26 N ATOM 437 CA CYS A 28 12.766 0.919 -4.249 1.00 0.38 C ATOM 438 C CYS A 28 11.749 0.084 -5.028 1.00 0.35 C ATOM 439 O CYS A 28 11.011 -0.700 -4.464 1.00 0.46 O ATOM 440 CB CYS A 28 12.027 1.888 -3.321 1.00 0.50 C ATOM 441 SG CYS A 28 12.210 1.349 -1.603 1.00 0.67 S ATOM 0 H CYS A 28 13.522 2.708 -5.132 1.00 0.26 H new ATOM 0 HA CYS A 28 13.401 0.260 -3.656 1.00 0.38 H new ATOM 0 HB2 CYS A 28 12.425 2.896 -3.440 1.00 0.50 H new ATOM 0 HB3 CYS A 28 10.971 1.929 -3.589 1.00 0.50 H new ATOM 446 N THR A 29 11.704 0.245 -6.323 1.00 0.27 N ATOM 447 CA THR A 29 10.734 -0.540 -7.138 1.00 0.34 C ATOM 448 C THR A 29 11.361 -1.882 -7.523 1.00 0.29 C ATOM 449 O THR A 29 10.692 -2.775 -8.001 1.00 0.55 O ATOM 450 CB THR A 29 10.385 0.242 -8.407 1.00 0.38 C ATOM 451 OG1 THR A 29 11.555 0.411 -9.195 1.00 0.34 O ATOM 452 CG2 THR A 29 9.821 1.612 -8.026 1.00 0.41 C ATOM 0 H THR A 29 12.297 0.886 -6.851 1.00 0.27 H new ATOM 0 HA THR A 29 9.828 -0.715 -6.557 1.00 0.34 H new ATOM 0 HB THR A 29 9.638 -0.309 -8.979 1.00 0.38 H new ATOM 0 HG1 THR A 29 12.056 1.190 -8.874 1.00 0.34 H new ATOM 0 HG21 THR A 29 9.573 2.168 -8.930 1.00 0.41 H new ATOM 0 HG22 THR A 29 8.923 1.481 -7.423 1.00 0.41 H new ATOM 0 HG23 THR A 29 10.565 2.165 -7.453 1.00 0.41 H new ATOM 460 N GLU A 30 12.642 -2.030 -7.318 1.00 0.23 N ATOM 461 CA GLU A 30 13.308 -3.314 -7.672 1.00 0.28 C ATOM 462 C GLU A 30 13.136 -4.312 -6.526 1.00 0.28 C ATOM 463 O GLU A 30 13.406 -5.489 -6.668 1.00 0.33 O ATOM 464 CB GLU A 30 14.799 -3.066 -7.912 1.00 0.35 C ATOM 465 CG GLU A 30 15.160 -3.466 -9.343 1.00 1.10 C ATOM 466 CD GLU A 30 16.648 -3.205 -9.586 1.00 1.51 C ATOM 467 OE1 GLU A 30 17.142 -2.202 -9.098 1.00 2.05 O ATOM 468 OE2 GLU A 30 17.269 -4.013 -10.257 1.00 2.19 O ATOM 0 H GLU A 30 13.255 -1.318 -6.921 1.00 0.23 H new ATOM 0 HA GLU A 30 12.856 -3.719 -8.577 1.00 0.28 H new ATOM 0 HB2 GLU A 30 15.035 -2.015 -7.747 1.00 0.35 H new ATOM 0 HB3 GLU A 30 15.393 -3.641 -7.202 1.00 0.35 H new ATOM 0 HG2 GLU A 30 14.933 -4.520 -9.505 1.00 1.10 H new ATOM 0 HG3 GLU A 30 14.559 -2.898 -10.053 1.00 1.10 H new ATOM 475 N LEU A 31 12.688 -3.853 -5.389 1.00 0.24 N ATOM 476 CA LEU A 31 12.498 -4.776 -4.236 1.00 0.26 C ATOM 477 C LEU A 31 11.208 -5.576 -4.428 1.00 0.28 C ATOM 478 O LEU A 31 10.165 -5.027 -4.724 1.00 0.57 O ATOM 479 CB LEU A 31 12.407 -3.965 -2.941 1.00 0.23 C ATOM 480 CG LEU A 31 13.574 -2.979 -2.874 1.00 0.25 C ATOM 481 CD1 LEU A 31 13.485 -2.167 -1.579 1.00 0.19 C ATOM 482 CD2 LEU A 31 14.895 -3.752 -2.899 1.00 0.37 C ATOM 0 H LEU A 31 12.446 -2.879 -5.210 1.00 0.24 H new ATOM 0 HA LEU A 31 13.344 -5.460 -4.177 1.00 0.26 H new ATOM 0 HB2 LEU A 31 11.460 -3.427 -2.902 1.00 0.23 H new ATOM 0 HB3 LEU A 31 12.431 -4.632 -2.079 1.00 0.23 H new ATOM 0 HG LEU A 31 13.529 -2.305 -3.729 1.00 0.25 H new ATOM 0 HD11 LEU A 31 14.317 -1.465 -1.532 1.00 0.19 H new ATOM 0 HD12 LEU A 31 12.544 -1.617 -1.558 1.00 0.19 H new ATOM 0 HD13 LEU A 31 13.530 -2.841 -0.723 1.00 0.19 H new ATOM 0 HD21 LEU A 31 15.728 -3.051 -2.851 1.00 0.37 H new ATOM 0 HD22 LEU A 31 14.939 -4.426 -2.043 1.00 0.37 H new ATOM 0 HD23 LEU A 31 14.960 -4.331 -3.820 1.00 0.37 H new ATOM 494 N THR A 32 11.269 -6.868 -4.261 1.00 0.16 N ATOM 495 CA THR A 32 10.046 -7.701 -4.433 1.00 0.14 C ATOM 496 C THR A 32 9.265 -7.738 -3.118 1.00 0.15 C ATOM 497 O THR A 32 9.789 -8.106 -2.085 1.00 0.18 O ATOM 498 CB THR A 32 10.448 -9.124 -4.829 1.00 0.24 C ATOM 499 OG1 THR A 32 10.966 -9.800 -3.692 1.00 0.78 O ATOM 500 CG2 THR A 32 11.516 -9.069 -5.923 1.00 0.44 C ATOM 0 H THR A 32 12.114 -7.383 -4.013 1.00 0.16 H new ATOM 0 HA THR A 32 9.420 -7.270 -5.215 1.00 0.14 H new ATOM 0 HB THR A 32 9.575 -9.658 -5.204 1.00 0.24 H new ATOM 0 HG1 THR A 32 10.873 -9.229 -2.901 1.00 0.78 H new ATOM 0 HG21 THR A 32 11.801 -10.083 -6.204 1.00 0.44 H new ATOM 0 HG22 THR A 32 11.118 -8.549 -6.794 1.00 0.44 H new ATOM 0 HG23 THR A 32 12.391 -8.536 -5.551 1.00 0.44 H new ATOM 508 N VAL A 33 8.017 -7.361 -3.147 1.00 0.18 N ATOM 509 CA VAL A 33 7.204 -7.375 -1.899 1.00 0.22 C ATOM 510 C VAL A 33 6.469 -8.711 -1.783 1.00 0.18 C ATOM 511 O VAL A 33 6.278 -9.412 -2.757 1.00 0.40 O ATOM 512 CB VAL A 33 6.186 -6.235 -1.941 1.00 0.29 C ATOM 513 CG1 VAL A 33 6.904 -4.918 -2.242 1.00 0.24 C ATOM 514 CG2 VAL A 33 5.155 -6.514 -3.037 1.00 0.34 C ATOM 0 H VAL A 33 7.525 -7.044 -3.982 1.00 0.18 H new ATOM 0 HA VAL A 33 7.859 -7.246 -1.038 1.00 0.22 H new ATOM 0 HB VAL A 33 5.683 -6.162 -0.977 1.00 0.29 H new ATOM 0 HG11 VAL A 33 6.177 -4.106 -2.272 1.00 0.24 H new ATOM 0 HG12 VAL A 33 7.640 -4.718 -1.463 1.00 0.24 H new ATOM 0 HG13 VAL A 33 7.407 -4.990 -3.206 1.00 0.24 H new ATOM 0 HG21 VAL A 33 4.428 -5.702 -3.068 1.00 0.34 H new ATOM 0 HG22 VAL A 33 5.659 -6.587 -4.001 1.00 0.34 H new ATOM 0 HG23 VAL A 33 4.642 -7.452 -2.824 1.00 0.34 H new ATOM 524 N THR A 34 6.055 -9.070 -0.598 1.00 0.16 N ATOM 525 CA THR A 34 5.332 -10.362 -0.422 1.00 0.25 C ATOM 526 C THR A 34 3.918 -10.237 -0.993 1.00 0.29 C ATOM 527 O THR A 34 3.054 -9.614 -0.408 1.00 0.62 O ATOM 528 CB THR A 34 5.252 -10.702 1.068 1.00 0.31 C ATOM 529 OG1 THR A 34 6.565 -10.839 1.592 1.00 0.37 O ATOM 530 CG2 THR A 34 4.487 -12.014 1.255 1.00 0.45 C ATOM 0 H THR A 34 6.186 -8.525 0.255 1.00 0.16 H new ATOM 0 HA THR A 34 5.867 -11.153 -0.947 1.00 0.25 H new ATOM 0 HB THR A 34 4.731 -9.903 1.595 1.00 0.31 H new ATOM 0 HG1 THR A 34 6.515 -11.055 2.547 1.00 0.37 H new ATOM 0 HG21 THR A 34 4.431 -12.254 2.317 1.00 0.45 H new ATOM 0 HG22 THR A 34 3.479 -11.908 0.853 1.00 0.45 H new ATOM 0 HG23 THR A 34 5.005 -12.815 0.728 1.00 0.45 H new ATOM 538 N ASP A 35 3.674 -10.825 -2.132 1.00 0.27 N ATOM 539 CA ASP A 35 2.316 -10.739 -2.739 1.00 0.24 C ATOM 540 C ASP A 35 1.266 -11.139 -1.700 1.00 0.33 C ATOM 541 O ASP A 35 1.588 -11.622 -0.632 1.00 0.74 O ATOM 542 CB ASP A 35 2.232 -11.685 -3.939 1.00 0.20 C ATOM 543 CG ASP A 35 1.014 -11.324 -4.791 1.00 0.19 C ATOM 544 OD1 ASP A 35 -0.091 -11.613 -4.361 1.00 1.17 O ATOM 545 OD2 ASP A 35 1.207 -10.765 -5.858 1.00 1.13 O ATOM 0 H ASP A 35 4.356 -11.361 -2.668 1.00 0.27 H new ATOM 0 HA ASP A 35 2.130 -9.717 -3.069 1.00 0.24 H new ATOM 0 HB2 ASP A 35 3.141 -11.613 -4.536 1.00 0.20 H new ATOM 0 HB3 ASP A 35 2.156 -12.717 -3.597 1.00 0.20 H new ATOM 550 N ILE A 36 0.013 -10.941 -2.003 1.00 0.16 N ATOM 551 CA ILE A 36 -1.056 -11.310 -1.033 1.00 0.14 C ATOM 552 C ILE A 36 -2.300 -11.772 -1.795 1.00 0.08 C ATOM 553 O ILE A 36 -3.013 -12.655 -1.362 1.00 0.11 O ATOM 554 CB ILE A 36 -1.409 -10.093 -0.176 1.00 0.23 C ATOM 555 CG1 ILE A 36 -1.909 -8.962 -1.077 1.00 0.25 C ATOM 556 CG2 ILE A 36 -0.165 -9.626 0.583 1.00 0.33 C ATOM 557 CD1 ILE A 36 -2.070 -7.683 -0.253 1.00 0.43 C ATOM 0 H ILE A 36 -0.317 -10.539 -2.881 1.00 0.16 H new ATOM 0 HA ILE A 36 -0.701 -12.117 -0.392 1.00 0.14 H new ATOM 0 HB ILE A 36 -2.189 -10.364 0.535 1.00 0.23 H new ATOM 0 HG12 ILE A 36 -1.205 -8.795 -1.893 1.00 0.25 H new ATOM 0 HG13 ILE A 36 -2.862 -9.238 -1.529 1.00 0.25 H new ATOM 0 HG21 ILE A 36 -0.416 -8.759 1.194 1.00 0.33 H new ATOM 0 HG22 ILE A 36 0.193 -10.431 1.225 1.00 0.33 H new ATOM 0 HG23 ILE A 36 0.615 -9.355 -0.129 1.00 0.33 H new ATOM 0 HD11 ILE A 36 -2.426 -6.878 -0.896 1.00 0.43 H new ATOM 0 HD12 ILE A 36 -2.790 -7.854 0.547 1.00 0.43 H new ATOM 0 HD13 ILE A 36 -1.108 -7.404 0.178 1.00 0.43 H new ATOM 569 N PHE A 37 -2.566 -11.182 -2.930 1.00 0.16 N ATOM 570 CA PHE A 37 -3.763 -11.589 -3.718 1.00 0.26 C ATOM 571 C PHE A 37 -3.493 -12.932 -4.399 1.00 0.28 C ATOM 572 O PHE A 37 -4.400 -13.607 -4.844 1.00 0.40 O ATOM 573 CB PHE A 37 -4.059 -10.528 -4.780 1.00 0.35 C ATOM 574 CG PHE A 37 -3.966 -9.155 -4.160 1.00 0.33 C ATOM 575 CD1 PHE A 37 -4.989 -8.693 -3.323 1.00 0.51 C ATOM 576 CD2 PHE A 37 -2.855 -8.342 -4.422 1.00 0.21 C ATOM 577 CE1 PHE A 37 -4.902 -7.420 -2.748 1.00 0.60 C ATOM 578 CE2 PHE A 37 -2.770 -7.069 -3.847 1.00 0.33 C ATOM 579 CZ PHE A 37 -3.792 -6.607 -3.010 1.00 0.52 C ATOM 0 H PHE A 37 -2.006 -10.437 -3.344 1.00 0.16 H new ATOM 0 HA PHE A 37 -4.621 -11.686 -3.052 1.00 0.26 H new ATOM 0 HB2 PHE A 37 -3.351 -10.615 -5.604 1.00 0.35 H new ATOM 0 HB3 PHE A 37 -5.054 -10.684 -5.197 1.00 0.35 H new ATOM 0 HD1 PHE A 37 -5.845 -9.319 -3.121 1.00 0.51 H new ATOM 0 HD2 PHE A 37 -2.065 -8.698 -5.067 1.00 0.21 H new ATOM 0 HE1 PHE A 37 -5.691 -7.064 -2.102 1.00 0.60 H new ATOM 0 HE2 PHE A 37 -1.914 -6.442 -4.050 1.00 0.33 H new ATOM 0 HZ PHE A 37 -3.725 -5.625 -2.567 1.00 0.52 H new ATOM 589 N ALA A 38 -2.251 -13.325 -4.486 1.00 0.34 N ATOM 590 CA ALA A 38 -1.925 -14.624 -5.139 1.00 0.43 C ATOM 591 C ALA A 38 -2.514 -15.771 -4.316 1.00 0.54 C ATOM 592 O ALA A 38 -2.596 -16.894 -4.770 1.00 1.03 O ATOM 593 CB ALA A 38 -0.406 -14.784 -5.223 1.00 0.34 C ATOM 0 H ALA A 38 -1.449 -12.803 -4.133 1.00 0.34 H new ATOM 0 HA ALA A 38 -2.349 -14.643 -6.143 1.00 0.43 H new ATOM 0 HB1 ALA A 38 -0.166 -15.734 -5.701 1.00 0.34 H new ATOM 0 HB2 ALA A 38 0.014 -13.967 -5.809 1.00 0.34 H new ATOM 0 HB3 ALA A 38 0.018 -14.765 -4.219 1.00 0.34 H new ATOM 599 N ALA A 39 -2.927 -15.495 -3.109 1.00 0.24 N ATOM 600 CA ALA A 39 -3.512 -16.571 -2.259 1.00 0.26 C ATOM 601 C ALA A 39 -4.588 -15.973 -1.350 1.00 0.37 C ATOM 602 O ALA A 39 -4.319 -15.571 -0.236 1.00 1.06 O ATOM 603 CB ALA A 39 -2.411 -17.199 -1.402 1.00 0.42 C ATOM 0 H ALA A 39 -2.885 -14.573 -2.675 1.00 0.24 H new ATOM 0 HA ALA A 39 -3.957 -17.336 -2.895 1.00 0.26 H new ATOM 0 HB1 ALA A 39 -2.838 -17.986 -0.780 1.00 0.42 H new ATOM 0 HB2 ALA A 39 -1.644 -17.624 -2.049 1.00 0.42 H new ATOM 0 HB3 ALA A 39 -1.965 -16.435 -0.765 1.00 0.42 H new ATOM 609 N SER A 40 -5.804 -15.911 -1.817 1.00 0.31 N ATOM 610 CA SER A 40 -6.897 -15.339 -0.979 1.00 0.48 C ATOM 611 C SER A 40 -8.211 -16.053 -1.298 1.00 0.54 C ATOM 612 O SER A 40 -9.077 -15.516 -1.960 1.00 1.34 O ATOM 613 CB SER A 40 -7.041 -13.847 -1.280 1.00 0.89 C ATOM 614 OG SER A 40 -6.180 -13.110 -0.423 1.00 2.32 O ATOM 0 H SER A 40 -6.089 -16.231 -2.742 1.00 0.31 H new ATOM 0 HA SER A 40 -6.657 -15.476 0.075 1.00 0.48 H new ATOM 0 HB2 SER A 40 -6.792 -13.649 -2.323 1.00 0.89 H new ATOM 0 HB3 SER A 40 -8.074 -13.533 -1.134 1.00 0.89 H new ATOM 0 HG SER A 40 -5.420 -13.671 -0.162 1.00 2.32 H new ATOM 620 N LYS A 41 -8.368 -17.263 -0.831 1.00 0.19 N ATOM 621 CA LYS A 41 -9.627 -18.010 -1.108 1.00 0.34 C ATOM 622 C LYS A 41 -10.633 -17.747 0.014 1.00 0.13 C ATOM 623 O LYS A 41 -11.506 -16.911 -0.105 1.00 0.60 O ATOM 624 CB LYS A 41 -9.325 -19.508 -1.182 1.00 0.80 C ATOM 625 CG LYS A 41 -7.963 -19.787 -0.543 1.00 0.69 C ATOM 626 CD LYS A 41 -7.741 -21.298 -0.452 1.00 0.90 C ATOM 627 CE LYS A 41 -6.242 -21.591 -0.380 1.00 0.95 C ATOM 628 NZ LYS A 41 -5.539 -20.433 0.245 1.00 1.93 N ATOM 0 H LYS A 41 -7.679 -17.765 -0.271 1.00 0.19 H new ATOM 0 HA LYS A 41 -10.046 -17.677 -2.057 1.00 0.34 H new ATOM 0 HB2 LYS A 41 -10.102 -20.072 -0.667 1.00 0.80 H new ATOM 0 HB3 LYS A 41 -9.326 -19.839 -2.221 1.00 0.80 H new ATOM 0 HG2 LYS A 41 -7.171 -19.328 -1.135 1.00 0.69 H new ATOM 0 HG3 LYS A 41 -7.918 -19.342 0.451 1.00 0.69 H new ATOM 0 HD2 LYS A 41 -8.243 -21.697 0.429 1.00 0.90 H new ATOM 0 HD3 LYS A 41 -8.178 -21.793 -1.319 1.00 0.90 H new ATOM 0 HE2 LYS A 41 -6.065 -22.495 0.202 1.00 0.95 H new ATOM 0 HE3 LYS A 41 -5.848 -21.773 -1.380 1.00 0.95 H new ATOM 0 HZ1 LYS A 41 -4.612 -20.741 0.603 1.00 1.93 H new ATOM 0 HZ2 LYS A 41 -5.405 -19.684 -0.464 1.00 1.93 H new ATOM 0 HZ3 LYS A 41 -6.109 -20.065 1.033 1.00 1.93 H new ATOM 642 N ASP A 42 -10.519 -18.455 1.104 1.00 0.46 N ATOM 643 CA ASP A 42 -11.468 -18.246 2.233 1.00 0.57 C ATOM 644 C ASP A 42 -11.150 -16.921 2.929 1.00 0.60 C ATOM 645 O ASP A 42 -11.617 -16.653 4.018 1.00 0.86 O ATOM 646 CB ASP A 42 -11.333 -19.395 3.234 1.00 0.70 C ATOM 647 CG ASP A 42 -9.851 -19.658 3.510 1.00 1.66 C ATOM 648 OD1 ASP A 42 -9.245 -20.385 2.739 1.00 2.17 O ATOM 649 OD2 ASP A 42 -9.347 -19.130 4.488 1.00 2.41 O ATOM 0 H ASP A 42 -9.809 -19.170 1.261 1.00 0.46 H new ATOM 0 HA ASP A 42 -12.488 -18.218 1.849 1.00 0.57 H new ATOM 0 HB2 ASP A 42 -11.848 -19.146 4.162 1.00 0.70 H new ATOM 0 HB3 ASP A 42 -11.806 -20.294 2.838 1.00 0.70 H new ATOM 654 N THR A 43 -10.358 -16.090 2.309 1.00 0.44 N ATOM 655 CA THR A 43 -10.011 -14.783 2.936 1.00 0.48 C ATOM 656 C THR A 43 -11.040 -13.729 2.523 1.00 0.43 C ATOM 657 O THR A 43 -11.424 -13.640 1.373 1.00 0.37 O ATOM 658 CB THR A 43 -8.620 -14.347 2.472 1.00 0.55 C ATOM 659 OG1 THR A 43 -8.581 -14.331 1.052 1.00 0.60 O ATOM 660 CG2 THR A 43 -7.571 -15.327 3.002 1.00 0.73 C ATOM 0 H THR A 43 -9.936 -16.259 1.396 1.00 0.44 H new ATOM 0 HA THR A 43 -10.015 -14.889 4.021 1.00 0.48 H new ATOM 0 HB THR A 43 -8.406 -13.349 2.854 1.00 0.55 H new ATOM 0 HG1 THR A 43 -9.479 -14.156 0.702 1.00 0.60 H new ATOM 0 HG21 THR A 43 -6.581 -15.015 2.670 1.00 0.73 H new ATOM 0 HG22 THR A 43 -7.602 -15.339 4.092 1.00 0.73 H new ATOM 0 HG23 THR A 43 -7.782 -16.327 2.622 1.00 0.73 H new ATOM 668 N THR A 44 -11.491 -12.930 3.450 1.00 0.53 N ATOM 669 CA THR A 44 -12.494 -11.883 3.109 1.00 0.58 C ATOM 670 C THR A 44 -11.774 -10.582 2.754 1.00 0.52 C ATOM 671 O THR A 44 -10.575 -10.461 2.914 1.00 0.53 O ATOM 672 CB THR A 44 -13.413 -11.646 4.309 1.00 0.74 C ATOM 673 OG1 THR A 44 -12.679 -11.843 5.511 1.00 1.33 O ATOM 674 CG2 THR A 44 -14.586 -12.626 4.259 1.00 0.67 C ATOM 0 H THR A 44 -11.208 -12.957 4.430 1.00 0.53 H new ATOM 0 HA THR A 44 -13.087 -12.214 2.257 1.00 0.58 H new ATOM 0 HB THR A 44 -13.795 -10.626 4.278 1.00 0.74 H new ATOM 0 HG1 THR A 44 -13.265 -11.690 6.281 1.00 1.33 H new ATOM 0 HG21 THR A 44 -15.239 -12.455 5.115 1.00 0.67 H new ATOM 0 HG22 THR A 44 -15.148 -12.474 3.337 1.00 0.67 H new ATOM 0 HG23 THR A 44 -14.208 -13.648 4.289 1.00 0.67 H new ATOM 682 N GLU A 45 -12.493 -9.606 2.272 1.00 0.49 N ATOM 683 CA GLU A 45 -11.848 -8.313 1.907 1.00 0.46 C ATOM 684 C GLU A 45 -11.128 -7.740 3.129 1.00 0.38 C ATOM 685 O GLU A 45 -10.164 -7.012 3.008 1.00 0.24 O ATOM 686 CB GLU A 45 -12.916 -7.326 1.434 1.00 0.50 C ATOM 687 CG GLU A 45 -13.946 -8.059 0.573 1.00 0.56 C ATOM 688 CD GLU A 45 -15.136 -8.475 1.441 1.00 1.55 C ATOM 689 OE1 GLU A 45 -15.905 -7.603 1.811 1.00 1.61 O ATOM 690 OE2 GLU A 45 -15.255 -9.655 1.720 1.00 2.81 O ATOM 0 H GLU A 45 -13.500 -9.648 2.115 1.00 0.49 H new ATOM 0 HA GLU A 45 -11.128 -8.479 1.106 1.00 0.46 H new ATOM 0 HB2 GLU A 45 -13.406 -6.866 2.292 1.00 0.50 H new ATOM 0 HB3 GLU A 45 -12.454 -6.522 0.861 1.00 0.50 H new ATOM 0 HG2 GLU A 45 -14.282 -7.414 -0.238 1.00 0.56 H new ATOM 0 HG3 GLU A 45 -13.493 -8.938 0.114 1.00 0.56 H new ATOM 697 N LYS A 46 -11.590 -8.062 4.306 1.00 0.50 N ATOM 698 CA LYS A 46 -10.932 -7.534 5.535 1.00 0.43 C ATOM 699 C LYS A 46 -9.506 -8.083 5.625 1.00 0.40 C ATOM 700 O LYS A 46 -8.546 -7.339 5.658 1.00 0.35 O ATOM 701 CB LYS A 46 -11.726 -7.971 6.767 1.00 0.44 C ATOM 702 CG LYS A 46 -13.119 -7.339 6.728 1.00 0.52 C ATOM 703 CD LYS A 46 -13.253 -6.327 7.868 1.00 0.43 C ATOM 704 CE LYS A 46 -14.655 -5.719 7.849 1.00 0.53 C ATOM 705 NZ LYS A 46 -15.670 -6.811 7.815 1.00 1.97 N ATOM 0 H LYS A 46 -12.394 -8.668 4.470 1.00 0.50 H new ATOM 0 HA LYS A 46 -10.900 -6.445 5.492 1.00 0.43 H new ATOM 0 HB2 LYS A 46 -11.809 -9.058 6.793 1.00 0.44 H new ATOM 0 HB3 LYS A 46 -11.204 -7.670 7.675 1.00 0.44 H new ATOM 0 HG2 LYS A 46 -13.279 -6.846 5.769 1.00 0.52 H new ATOM 0 HG3 LYS A 46 -13.883 -8.111 6.821 1.00 0.52 H new ATOM 0 HD2 LYS A 46 -13.070 -6.815 8.825 1.00 0.43 H new ATOM 0 HD3 LYS A 46 -12.504 -5.543 7.762 1.00 0.43 H new ATOM 0 HE2 LYS A 46 -14.805 -5.096 8.731 1.00 0.53 H new ATOM 0 HE3 LYS A 46 -14.771 -5.073 6.979 1.00 0.53 H new ATOM 0 HZ1 LYS A 46 -16.543 -6.488 8.278 1.00 1.97 H new ATOM 0 HZ2 LYS A 46 -15.875 -7.064 6.827 1.00 1.97 H new ATOM 0 HZ3 LYS A 46 -15.301 -7.644 8.316 1.00 1.97 H new ATOM 719 N GLU A 47 -9.362 -9.379 5.668 1.00 0.43 N ATOM 720 CA GLU A 47 -7.998 -9.973 5.759 1.00 0.41 C ATOM 721 C GLU A 47 -7.166 -9.530 4.554 1.00 0.37 C ATOM 722 O GLU A 47 -5.969 -9.731 4.505 1.00 0.50 O ATOM 723 CB GLU A 47 -8.107 -11.500 5.768 1.00 0.46 C ATOM 724 CG GLU A 47 -8.564 -11.971 7.150 1.00 0.53 C ATOM 725 CD GLU A 47 -7.361 -12.492 7.936 1.00 1.69 C ATOM 726 OE1 GLU A 47 -6.840 -13.531 7.565 1.00 2.51 O ATOM 727 OE2 GLU A 47 -6.980 -11.845 8.897 1.00 2.61 O ATOM 0 H GLU A 47 -10.128 -10.052 5.644 1.00 0.43 H new ATOM 0 HA GLU A 47 -7.516 -9.636 6.677 1.00 0.41 H new ATOM 0 HB2 GLU A 47 -8.815 -11.829 5.007 1.00 0.46 H new ATOM 0 HB3 GLU A 47 -7.143 -11.945 5.521 1.00 0.46 H new ATOM 0 HG2 GLU A 47 -9.035 -11.149 7.689 1.00 0.53 H new ATOM 0 HG3 GLU A 47 -9.313 -12.756 7.049 1.00 0.53 H new ATOM 734 N THR A 48 -7.791 -8.927 3.579 1.00 0.26 N ATOM 735 CA THR A 48 -7.034 -8.472 2.378 1.00 0.21 C ATOM 736 C THR A 48 -6.328 -7.151 2.690 1.00 0.20 C ATOM 737 O THR A 48 -5.124 -7.038 2.575 1.00 0.24 O ATOM 738 CB THR A 48 -8.004 -8.270 1.211 1.00 0.19 C ATOM 739 OG1 THR A 48 -8.938 -9.340 1.183 1.00 0.20 O ATOM 740 CG2 THR A 48 -7.223 -8.236 -0.103 1.00 0.17 C ATOM 0 H THR A 48 -8.792 -8.730 3.562 1.00 0.26 H new ATOM 0 HA THR A 48 -6.293 -9.224 2.108 1.00 0.21 H new ATOM 0 HB THR A 48 -8.536 -7.327 1.339 1.00 0.19 H new ATOM 0 HG1 THR A 48 -9.431 -9.366 2.030 1.00 0.20 H new ATOM 0 HG21 THR A 48 -7.914 -8.092 -0.933 1.00 0.17 H new ATOM 0 HG22 THR A 48 -6.508 -7.414 -0.080 1.00 0.17 H new ATOM 0 HG23 THR A 48 -6.690 -9.178 -0.234 1.00 0.17 H new ATOM 748 N PHE A 49 -7.067 -6.150 3.082 1.00 0.16 N ATOM 749 CA PHE A 49 -6.437 -4.838 3.400 1.00 0.15 C ATOM 750 C PHE A 49 -5.396 -5.025 4.505 1.00 0.15 C ATOM 751 O PHE A 49 -4.401 -4.328 4.558 1.00 0.14 O ATOM 752 CB PHE A 49 -7.511 -3.856 3.872 1.00 0.14 C ATOM 753 CG PHE A 49 -8.599 -3.759 2.830 1.00 0.17 C ATOM 754 CD1 PHE A 49 -8.361 -3.082 1.629 1.00 0.12 C ATOM 755 CD2 PHE A 49 -9.848 -4.347 3.064 1.00 0.31 C ATOM 756 CE1 PHE A 49 -9.369 -2.992 0.662 1.00 0.22 C ATOM 757 CE2 PHE A 49 -10.857 -4.259 2.098 1.00 0.39 C ATOM 758 CZ PHE A 49 -10.618 -3.580 0.897 1.00 0.35 C ATOM 0 H PHE A 49 -8.080 -6.184 3.196 1.00 0.16 H new ATOM 0 HA PHE A 49 -5.952 -4.444 2.507 1.00 0.15 H new ATOM 0 HB2 PHE A 49 -7.931 -4.189 4.821 1.00 0.14 H new ATOM 0 HB3 PHE A 49 -7.070 -2.874 4.045 1.00 0.14 H new ATOM 0 HD1 PHE A 49 -7.398 -2.628 1.448 1.00 0.12 H new ATOM 0 HD2 PHE A 49 -10.033 -4.869 3.991 1.00 0.31 H new ATOM 0 HE1 PHE A 49 -9.184 -2.469 -0.265 1.00 0.22 H new ATOM 0 HE2 PHE A 49 -11.819 -4.715 2.279 1.00 0.39 H new ATOM 0 HZ PHE A 49 -11.397 -3.510 0.152 1.00 0.35 H new ATOM 768 N CYS A 50 -5.616 -5.958 5.390 1.00 0.15 N ATOM 769 CA CYS A 50 -4.637 -6.187 6.491 1.00 0.15 C ATOM 770 C CYS A 50 -3.339 -6.754 5.912 1.00 0.16 C ATOM 771 O CYS A 50 -2.287 -6.157 6.022 1.00 0.16 O ATOM 772 CB CYS A 50 -5.223 -7.180 7.496 1.00 0.15 C ATOM 773 SG CYS A 50 -3.879 -7.987 8.399 1.00 0.17 S ATOM 0 H CYS A 50 -6.431 -6.572 5.399 1.00 0.15 H new ATOM 0 HA CYS A 50 -4.428 -5.242 6.993 1.00 0.15 H new ATOM 0 HB2 CYS A 50 -5.884 -6.663 8.192 1.00 0.15 H new ATOM 0 HB3 CYS A 50 -5.826 -7.925 6.978 1.00 0.15 H new ATOM 778 N ARG A 51 -3.405 -7.903 5.297 1.00 0.16 N ATOM 779 CA ARG A 51 -2.175 -8.508 4.712 1.00 0.17 C ATOM 780 C ARG A 51 -1.418 -7.449 3.910 1.00 0.19 C ATOM 781 O ARG A 51 -0.206 -7.369 3.959 1.00 0.20 O ATOM 782 CB ARG A 51 -2.565 -9.665 3.790 1.00 0.16 C ATOM 783 CG ARG A 51 -2.910 -10.895 4.632 1.00 0.38 C ATOM 784 CD ARG A 51 -3.279 -12.059 3.710 1.00 0.37 C ATOM 785 NE ARG A 51 -3.144 -13.343 4.453 1.00 1.14 N ATOM 786 CZ ARG A 51 -3.683 -14.432 3.976 1.00 1.25 C ATOM 787 NH1 ARG A 51 -4.339 -14.395 2.849 1.00 0.48 N ATOM 788 NH2 ARG A 51 -3.565 -15.557 4.627 1.00 2.24 N ATOM 0 H ARG A 51 -4.258 -8.449 5.174 1.00 0.16 H new ATOM 0 HA ARG A 51 -1.537 -8.881 5.513 1.00 0.17 H new ATOM 0 HB2 ARG A 51 -3.419 -9.381 3.174 1.00 0.16 H new ATOM 0 HB3 ARG A 51 -1.744 -9.895 3.110 1.00 0.16 H new ATOM 0 HG2 ARG A 51 -2.062 -11.169 5.259 1.00 0.38 H new ATOM 0 HG3 ARG A 51 -3.741 -10.670 5.301 1.00 0.38 H new ATOM 0 HD2 ARG A 51 -4.301 -11.941 3.349 1.00 0.37 H new ATOM 0 HD3 ARG A 51 -2.630 -12.063 2.834 1.00 0.37 H new ATOM 0 HE ARG A 51 -2.631 -13.371 5.334 1.00 1.14 H new ATOM 0 HH11 ARG A 51 -4.431 -13.515 2.341 1.00 0.48 H new ATOM 0 HH12 ARG A 51 -4.760 -15.246 2.476 1.00 0.48 H new ATOM 0 HH21 ARG A 51 -3.052 -15.585 5.508 1.00 2.24 H new ATOM 0 HH22 ARG A 51 -3.986 -16.408 4.255 1.00 2.24 H new ATOM 802 N ALA A 52 -2.121 -6.636 3.171 1.00 0.20 N ATOM 803 CA ALA A 52 -1.439 -5.583 2.366 1.00 0.22 C ATOM 804 C ALA A 52 -0.676 -4.641 3.299 1.00 0.20 C ATOM 805 O ALA A 52 0.491 -4.368 3.104 1.00 0.26 O ATOM 806 CB ALA A 52 -2.481 -4.786 1.579 1.00 0.23 C ATOM 0 H ALA A 52 -3.138 -6.655 3.089 1.00 0.20 H new ATOM 0 HA ALA A 52 -0.741 -6.052 1.673 1.00 0.22 H new ATOM 0 HB1 ALA A 52 -1.982 -4.016 0.991 1.00 0.23 H new ATOM 0 HB2 ALA A 52 -3.025 -5.456 0.913 1.00 0.23 H new ATOM 0 HB3 ALA A 52 -3.180 -4.317 2.272 1.00 0.23 H new ATOM 812 N ALA A 53 -1.328 -4.140 4.314 1.00 0.14 N ATOM 813 CA ALA A 53 -0.639 -3.216 5.259 1.00 0.12 C ATOM 814 C ALA A 53 0.558 -3.929 5.889 1.00 0.14 C ATOM 815 O ALA A 53 1.632 -3.372 6.009 1.00 0.17 O ATOM 816 CB ALA A 53 -1.616 -2.789 6.356 1.00 0.09 C ATOM 0 H ALA A 53 -2.307 -4.331 4.529 1.00 0.14 H new ATOM 0 HA ALA A 53 -0.292 -2.335 4.719 1.00 0.12 H new ATOM 0 HB1 ALA A 53 -1.113 -2.113 7.048 1.00 0.09 H new ATOM 0 HB2 ALA A 53 -2.468 -2.280 5.906 1.00 0.09 H new ATOM 0 HB3 ALA A 53 -1.963 -3.669 6.897 1.00 0.09 H new ATOM 822 N THR A 54 0.384 -5.157 6.296 1.00 0.14 N ATOM 823 CA THR A 54 1.514 -5.902 6.919 1.00 0.16 C ATOM 824 C THR A 54 2.755 -5.779 6.032 1.00 0.20 C ATOM 825 O THR A 54 3.844 -5.519 6.504 1.00 0.23 O ATOM 826 CB THR A 54 1.134 -7.378 7.063 1.00 0.16 C ATOM 827 OG1 THR A 54 -0.134 -7.478 7.694 1.00 0.10 O ATOM 828 CG2 THR A 54 2.186 -8.097 7.909 1.00 0.19 C ATOM 0 H THR A 54 -0.491 -5.676 6.224 1.00 0.14 H new ATOM 0 HA THR A 54 1.727 -5.484 7.903 1.00 0.16 H new ATOM 0 HB THR A 54 1.087 -7.840 6.077 1.00 0.16 H new ATOM 0 HG1 THR A 54 -0.380 -8.422 7.786 1.00 0.10 H new ATOM 0 HG21 THR A 54 1.915 -9.148 8.011 1.00 0.19 H new ATOM 0 HG22 THR A 54 3.159 -8.019 7.424 1.00 0.19 H new ATOM 0 HG23 THR A 54 2.235 -7.637 8.896 1.00 0.19 H new ATOM 836 N VAL A 55 2.599 -5.963 4.750 1.00 0.21 N ATOM 837 CA VAL A 55 3.768 -5.856 3.834 1.00 0.26 C ATOM 838 C VAL A 55 4.323 -4.431 3.882 1.00 0.27 C ATOM 839 O VAL A 55 5.467 -4.211 4.230 1.00 0.27 O ATOM 840 CB VAL A 55 3.329 -6.184 2.406 1.00 0.28 C ATOM 841 CG1 VAL A 55 4.536 -6.103 1.469 1.00 0.32 C ATOM 842 CG2 VAL A 55 2.748 -7.600 2.366 1.00 0.26 C ATOM 0 H VAL A 55 1.712 -6.183 4.297 1.00 0.21 H new ATOM 0 HA VAL A 55 4.541 -6.559 4.147 1.00 0.26 H new ATOM 0 HB VAL A 55 2.572 -5.469 2.085 1.00 0.28 H new ATOM 0 HG11 VAL A 55 4.223 -6.337 0.451 1.00 0.32 H new ATOM 0 HG12 VAL A 55 4.952 -5.096 1.498 1.00 0.32 H new ATOM 0 HG13 VAL A 55 5.294 -6.818 1.789 1.00 0.32 H new ATOM 0 HG21 VAL A 55 2.434 -7.836 1.349 1.00 0.26 H new ATOM 0 HG22 VAL A 55 3.507 -8.314 2.687 1.00 0.26 H new ATOM 0 HG23 VAL A 55 1.889 -7.660 3.034 1.00 0.26 H new ATOM 852 N LEU A 56 3.521 -3.461 3.537 1.00 0.28 N ATOM 853 CA LEU A 56 4.003 -2.051 3.563 1.00 0.30 C ATOM 854 C LEU A 56 4.719 -1.785 4.888 1.00 0.30 C ATOM 855 O LEU A 56 5.675 -1.041 4.949 1.00 0.30 O ATOM 856 CB LEU A 56 2.811 -1.101 3.428 1.00 0.32 C ATOM 857 CG LEU A 56 2.000 -1.468 2.183 1.00 0.32 C ATOM 858 CD1 LEU A 56 0.807 -0.520 2.053 1.00 0.36 C ATOM 859 CD2 LEU A 56 2.884 -1.345 0.940 1.00 0.24 C ATOM 0 H LEU A 56 2.553 -3.584 3.238 1.00 0.28 H new ATOM 0 HA LEU A 56 4.693 -1.886 2.735 1.00 0.30 H new ATOM 0 HB2 LEU A 56 2.181 -1.163 4.316 1.00 0.32 H new ATOM 0 HB3 LEU A 56 3.160 -0.071 3.356 1.00 0.32 H new ATOM 0 HG LEU A 56 1.643 -2.494 2.274 1.00 0.32 H new ATOM 0 HD11 LEU A 56 0.229 -0.781 1.166 1.00 0.36 H new ATOM 0 HD12 LEU A 56 0.175 -0.607 2.937 1.00 0.36 H new ATOM 0 HD13 LEU A 56 1.165 0.506 1.963 1.00 0.36 H new ATOM 0 HD21 LEU A 56 2.305 -1.607 0.054 1.00 0.24 H new ATOM 0 HD22 LEU A 56 3.243 -0.320 0.849 1.00 0.24 H new ATOM 0 HD23 LEU A 56 3.735 -2.021 1.030 1.00 0.24 H new ATOM 871 N ARG A 57 4.264 -2.387 5.952 1.00 0.30 N ATOM 872 CA ARG A 57 4.924 -2.165 7.268 1.00 0.30 C ATOM 873 C ARG A 57 6.386 -2.610 7.187 1.00 0.28 C ATOM 874 O ARG A 57 7.295 -1.812 7.299 1.00 0.28 O ATOM 875 CB ARG A 57 4.202 -2.980 8.344 1.00 0.29 C ATOM 876 CG ARG A 57 4.621 -2.481 9.729 1.00 0.62 C ATOM 877 CD ARG A 57 3.828 -3.227 10.803 1.00 0.47 C ATOM 878 NE ARG A 57 4.223 -4.664 10.803 1.00 1.55 N ATOM 879 CZ ARG A 57 3.910 -5.427 11.815 1.00 1.78 C ATOM 880 NH1 ARG A 57 3.252 -4.931 12.827 1.00 0.98 N ATOM 881 NH2 ARG A 57 4.255 -6.686 11.814 1.00 3.12 N ATOM 0 H ARG A 57 3.466 -3.022 5.967 1.00 0.30 H new ATOM 0 HA ARG A 57 4.880 -1.106 7.523 1.00 0.30 H new ATOM 0 HB2 ARG A 57 3.123 -2.886 8.223 1.00 0.29 H new ATOM 0 HB3 ARG A 57 4.444 -4.037 8.238 1.00 0.29 H new ATOM 0 HG2 ARG A 57 5.689 -2.639 9.876 1.00 0.62 H new ATOM 0 HG3 ARG A 57 4.443 -1.409 9.810 1.00 0.62 H new ATOM 0 HD2 ARG A 57 4.017 -2.787 11.782 1.00 0.47 H new ATOM 0 HD3 ARG A 57 2.759 -3.133 10.612 1.00 0.47 H new ATOM 0 HE ARG A 57 4.738 -5.051 10.012 1.00 1.55 H new ATOM 0 HH11 ARG A 57 2.982 -3.947 12.827 1.00 0.98 H new ATOM 0 HH12 ARG A 57 3.007 -5.527 13.618 1.00 0.98 H new ATOM 0 HH21 ARG A 57 4.769 -7.073 11.023 1.00 3.12 H new ATOM 0 HH22 ARG A 57 4.011 -7.282 12.605 1.00 3.12 H new ATOM 895 N GLN A 58 6.619 -3.879 6.993 1.00 0.26 N ATOM 896 CA GLN A 58 8.021 -4.376 6.907 1.00 0.24 C ATOM 897 C GLN A 58 8.728 -3.729 5.712 1.00 0.28 C ATOM 898 O GLN A 58 9.905 -3.933 5.493 1.00 0.30 O ATOM 899 CB GLN A 58 8.011 -5.896 6.728 1.00 0.19 C ATOM 900 CG GLN A 58 7.071 -6.270 5.581 1.00 0.24 C ATOM 901 CD GLN A 58 7.110 -7.783 5.359 1.00 0.46 C ATOM 902 OE1 GLN A 58 6.553 -8.284 4.404 1.00 1.17 O ATOM 903 NE2 GLN A 58 7.751 -8.537 6.210 1.00 1.49 N ATOM 0 H GLN A 58 5.898 -4.594 6.890 1.00 0.26 H new ATOM 0 HA GLN A 58 8.552 -4.117 7.823 1.00 0.24 H new ATOM 0 HB2 GLN A 58 9.019 -6.254 6.518 1.00 0.19 H new ATOM 0 HB3 GLN A 58 7.687 -6.379 7.650 1.00 0.19 H new ATOM 0 HG2 GLN A 58 6.054 -5.952 5.812 1.00 0.24 H new ATOM 0 HG3 GLN A 58 7.368 -5.751 4.670 1.00 0.24 H new ATOM 0 HE21 GLN A 58 8.219 -8.116 7.013 1.00 1.49 H new ATOM 0 HE22 GLN A 58 7.784 -9.547 6.072 1.00 1.49 H new ATOM 912 N PHE A 59 8.021 -2.954 4.935 1.00 0.30 N ATOM 913 CA PHE A 59 8.661 -2.304 3.755 1.00 0.34 C ATOM 914 C PHE A 59 9.340 -0.999 4.182 1.00 0.37 C ATOM 915 O PHE A 59 10.549 -0.895 4.195 1.00 0.38 O ATOM 916 CB PHE A 59 7.597 -2.001 2.697 1.00 0.34 C ATOM 917 CG PHE A 59 8.271 -1.668 1.387 1.00 0.27 C ATOM 918 CD1 PHE A 59 8.650 -2.695 0.514 1.00 0.24 C ATOM 919 CD2 PHE A 59 8.516 -0.333 1.047 1.00 0.28 C ATOM 920 CE1 PHE A 59 9.275 -2.386 -0.701 1.00 0.22 C ATOM 921 CE2 PHE A 59 9.141 -0.024 -0.167 1.00 0.26 C ATOM 922 CZ PHE A 59 9.519 -1.050 -1.042 1.00 0.22 C ATOM 0 H PHE A 59 7.032 -2.743 5.065 1.00 0.30 H new ATOM 0 HA PHE A 59 9.409 -2.979 3.339 1.00 0.34 H new ATOM 0 HB2 PHE A 59 6.938 -2.860 2.571 1.00 0.34 H new ATOM 0 HB3 PHE A 59 6.974 -1.167 3.020 1.00 0.34 H new ATOM 0 HD1 PHE A 59 8.461 -3.725 0.777 1.00 0.24 H new ATOM 0 HD2 PHE A 59 8.223 0.459 1.721 1.00 0.28 H new ATOM 0 HE1 PHE A 59 9.568 -3.178 -1.374 1.00 0.22 H new ATOM 0 HE2 PHE A 59 9.332 1.006 -0.429 1.00 0.26 H new ATOM 0 HZ PHE A 59 9.999 -0.811 -1.980 1.00 0.22 H new ATOM 932 N TYR A 60 8.571 0.001 4.521 1.00 0.39 N ATOM 933 CA TYR A 60 9.178 1.300 4.932 1.00 0.43 C ATOM 934 C TYR A 60 9.725 1.196 6.359 1.00 0.44 C ATOM 935 O TYR A 60 10.261 2.144 6.895 1.00 0.54 O ATOM 936 CB TYR A 60 8.117 2.402 4.872 1.00 0.42 C ATOM 937 CG TYR A 60 7.028 2.116 5.878 1.00 0.35 C ATOM 938 CD1 TYR A 60 7.213 2.449 7.227 1.00 0.38 C ATOM 939 CD2 TYR A 60 5.831 1.520 5.464 1.00 0.28 C ATOM 940 CE1 TYR A 60 6.202 2.185 8.158 1.00 0.34 C ATOM 941 CE2 TYR A 60 4.821 1.256 6.395 1.00 0.23 C ATOM 942 CZ TYR A 60 5.006 1.588 7.742 1.00 0.27 C ATOM 943 OH TYR A 60 4.009 1.328 8.660 1.00 0.26 O ATOM 0 H TYR A 60 7.551 -0.025 4.531 1.00 0.39 H new ATOM 0 HA TYR A 60 9.996 1.541 4.253 1.00 0.43 H new ATOM 0 HB2 TYR A 60 8.572 3.370 5.080 1.00 0.42 H new ATOM 0 HB3 TYR A 60 7.693 2.458 3.869 1.00 0.42 H new ATOM 0 HD1 TYR A 60 8.136 2.909 7.548 1.00 0.38 H new ATOM 0 HD2 TYR A 60 5.687 1.264 4.425 1.00 0.28 H new ATOM 0 HE1 TYR A 60 6.344 2.442 9.197 1.00 0.34 H new ATOM 0 HE2 TYR A 60 3.898 0.796 6.074 1.00 0.23 H new ATOM 0 HH TYR A 60 4.048 1.990 9.381 1.00 0.26 H new ATOM 953 N SER A 61 9.597 0.056 6.979 1.00 0.37 N ATOM 954 CA SER A 61 10.115 -0.092 8.369 1.00 0.37 C ATOM 955 C SER A 61 11.561 -0.592 8.328 1.00 0.44 C ATOM 956 O SER A 61 12.423 -0.082 9.014 1.00 0.47 O ATOM 957 CB SER A 61 9.251 -1.094 9.134 1.00 0.30 C ATOM 958 OG SER A 61 7.924 -0.593 9.229 1.00 0.36 O ATOM 0 H SER A 61 9.158 -0.777 6.586 1.00 0.37 H new ATOM 0 HA SER A 61 10.080 0.875 8.871 1.00 0.37 H new ATOM 0 HB2 SER A 61 9.253 -2.057 8.624 1.00 0.30 H new ATOM 0 HB3 SER A 61 9.662 -1.260 10.130 1.00 0.30 H new ATOM 0 HG SER A 61 7.453 -0.753 8.385 1.00 0.36 H new ATOM 964 N HIS A 62 11.832 -1.589 7.531 1.00 0.48 N ATOM 965 CA HIS A 62 13.222 -2.123 7.453 1.00 0.57 C ATOM 966 C HIS A 62 13.999 -1.385 6.361 1.00 0.54 C ATOM 967 O HIS A 62 14.998 -0.745 6.622 1.00 0.99 O ATOM 968 CB HIS A 62 13.173 -3.616 7.122 1.00 0.65 C ATOM 969 CG HIS A 62 12.397 -4.340 8.187 1.00 0.55 C ATOM 970 ND1 HIS A 62 12.207 -3.807 9.453 1.00 1.56 N ATOM 971 CD2 HIS A 62 11.756 -5.554 8.192 1.00 0.75 C ATOM 972 CE1 HIS A 62 11.478 -4.690 10.159 1.00 1.34 C ATOM 973 NE2 HIS A 62 11.177 -5.773 9.438 1.00 0.90 N ATOM 0 H HIS A 62 11.152 -2.057 6.931 1.00 0.48 H new ATOM 0 HA HIS A 62 13.720 -1.975 8.411 1.00 0.57 H new ATOM 0 HB2 HIS A 62 12.706 -3.769 6.149 1.00 0.65 H new ATOM 0 HB3 HIS A 62 14.184 -4.018 7.057 1.00 0.65 H new ATOM 0 HD2 HIS A 62 11.708 -6.236 7.356 1.00 0.75 H new ATOM 0 HE1 HIS A 62 11.173 -4.541 11.184 1.00 1.34 H new ATOM 0 HE2 HIS A 62 10.638 -6.586 9.737 1.00 0.90 H new ATOM 981 N HIS A 63 13.552 -1.473 5.137 1.00 0.38 N ATOM 982 CA HIS A 63 14.270 -0.781 4.028 1.00 0.34 C ATOM 983 C HIS A 63 14.597 0.657 4.441 1.00 0.21 C ATOM 984 O HIS A 63 15.718 1.107 4.313 1.00 0.14 O ATOM 985 CB HIS A 63 13.385 -0.763 2.781 1.00 0.44 C ATOM 986 CG HIS A 63 13.061 -2.175 2.376 1.00 0.56 C ATOM 987 ND1 HIS A 63 13.996 -3.196 2.443 1.00 0.87 N ATOM 988 CD2 HIS A 63 11.912 -2.751 1.894 1.00 0.47 C ATOM 989 CE1 HIS A 63 13.399 -4.322 2.014 1.00 0.96 C ATOM 990 NE2 HIS A 63 12.128 -4.107 1.666 1.00 0.71 N ATOM 0 H HIS A 63 12.721 -1.994 4.857 1.00 0.38 H new ATOM 0 HA HIS A 63 15.196 -1.313 3.812 1.00 0.34 H new ATOM 0 HB2 HIS A 63 12.467 -0.211 2.982 1.00 0.44 H new ATOM 0 HB3 HIS A 63 13.895 -0.248 1.967 1.00 0.44 H new ATOM 0 HD2 HIS A 63 10.982 -2.231 1.718 1.00 0.47 H new ATOM 0 HE1 HIS A 63 13.888 -5.283 1.958 1.00 0.96 H new ATOM 0 HE2 HIS A 63 11.459 -4.790 1.310 1.00 0.71 H new ATOM 998 N GLU A 64 13.629 1.381 4.930 1.00 0.20 N ATOM 999 CA GLU A 64 13.888 2.788 5.347 1.00 0.18 C ATOM 1000 C GLU A 64 15.159 2.842 6.197 1.00 0.11 C ATOM 1001 O GLU A 64 15.904 3.802 6.156 1.00 0.26 O ATOM 1002 CB GLU A 64 12.706 3.305 6.168 1.00 0.23 C ATOM 1003 CG GLU A 64 12.997 4.729 6.644 1.00 0.39 C ATOM 1004 CD GLU A 64 13.565 4.688 8.063 1.00 0.89 C ATOM 1005 OE1 GLU A 64 12.947 4.062 8.909 1.00 1.28 O ATOM 1006 OE2 GLU A 64 14.608 5.282 8.281 1.00 1.88 O ATOM 0 H GLU A 64 12.670 1.060 5.059 1.00 0.20 H new ATOM 0 HA GLU A 64 14.014 3.410 4.461 1.00 0.18 H new ATOM 0 HB2 GLU A 64 11.798 3.290 5.566 1.00 0.23 H new ATOM 0 HB3 GLU A 64 12.532 2.653 7.024 1.00 0.23 H new ATOM 0 HG2 GLU A 64 13.706 5.211 5.971 1.00 0.39 H new ATOM 0 HG3 GLU A 64 12.084 5.324 6.624 1.00 0.39 H new ATOM 1013 N LYS A 65 15.414 1.820 6.966 1.00 0.13 N ATOM 1014 CA LYS A 65 16.637 1.813 7.817 1.00 0.26 C ATOM 1015 C LYS A 65 17.796 1.189 7.038 1.00 0.22 C ATOM 1016 O LYS A 65 18.949 1.358 7.381 1.00 0.28 O ATOM 1017 CB LYS A 65 16.373 0.996 9.083 1.00 0.51 C ATOM 1018 CG LYS A 65 15.212 1.619 9.861 1.00 0.72 C ATOM 1019 CD LYS A 65 15.251 1.137 11.312 1.00 0.91 C ATOM 1020 CE LYS A 65 15.240 -0.392 11.343 1.00 1.49 C ATOM 1021 NZ LYS A 65 14.691 -0.859 12.646 1.00 1.85 N ATOM 0 H LYS A 65 14.828 0.989 7.042 1.00 0.13 H new ATOM 0 HA LYS A 65 16.894 2.836 8.093 1.00 0.26 H new ATOM 0 HB2 LYS A 65 16.137 -0.035 8.820 1.00 0.51 H new ATOM 0 HB3 LYS A 65 17.268 0.969 9.704 1.00 0.51 H new ATOM 0 HG2 LYS A 65 15.279 2.706 9.826 1.00 0.72 H new ATOM 0 HG3 LYS A 65 14.263 1.344 9.401 1.00 0.72 H new ATOM 0 HD2 LYS A 65 16.145 1.515 11.808 1.00 0.91 H new ATOM 0 HD3 LYS A 65 14.394 1.528 11.859 1.00 0.91 H new ATOM 0 HE2 LYS A 65 14.636 -0.779 10.522 1.00 1.49 H new ATOM 0 HE3 LYS A 65 16.250 -0.776 11.203 1.00 1.49 H new ATOM 0 HZ1 LYS A 65 14.684 -1.899 12.667 1.00 1.85 H new ATOM 0 HZ2 LYS A 65 15.285 -0.501 13.421 1.00 1.85 H new ATOM 0 HZ3 LYS A 65 13.720 -0.504 12.761 1.00 1.85 H new ATOM 1035 N ASP A 66 17.501 0.467 5.992 1.00 0.21 N ATOM 1036 CA ASP A 66 18.587 -0.167 5.193 1.00 0.28 C ATOM 1037 C ASP A 66 19.039 0.798 4.095 1.00 0.23 C ATOM 1038 O ASP A 66 18.271 1.611 3.619 1.00 0.25 O ATOM 1039 CB ASP A 66 18.065 -1.458 4.551 1.00 0.52 C ATOM 1040 CG ASP A 66 19.238 -2.409 4.296 1.00 0.31 C ATOM 1041 OD1 ASP A 66 20.365 -1.943 4.303 1.00 1.27 O ATOM 1042 OD2 ASP A 66 18.987 -3.586 4.098 1.00 0.97 O ATOM 0 H ASP A 66 16.555 0.289 5.656 1.00 0.21 H new ATOM 0 HA ASP A 66 19.429 -0.400 5.845 1.00 0.28 H new ATOM 0 HB2 ASP A 66 17.333 -1.932 5.205 1.00 0.52 H new ATOM 0 HB3 ASP A 66 17.556 -1.231 3.614 1.00 0.52 H new ATOM 1047 N THR A 67 20.274 0.709 3.680 1.00 0.33 N ATOM 1048 CA THR A 67 20.763 1.614 2.602 1.00 0.55 C ATOM 1049 C THR A 67 20.211 1.115 1.268 1.00 0.80 C ATOM 1050 O THR A 67 20.888 1.109 0.259 1.00 1.13 O ATOM 1051 CB THR A 67 22.294 1.595 2.567 1.00 0.95 C ATOM 1052 OG1 THR A 67 22.744 0.256 2.408 1.00 1.37 O ATOM 1053 CG2 THR A 67 22.843 2.169 3.872 1.00 0.58 C ATOM 0 H THR A 67 20.964 0.050 4.041 1.00 0.33 H new ATOM 0 HA THR A 67 20.429 2.635 2.788 1.00 0.55 H new ATOM 0 HB THR A 67 22.647 2.200 1.732 1.00 0.95 H new ATOM 0 HG1 THR A 67 23.724 0.241 2.384 1.00 1.37 H new ATOM 0 HG21 THR A 67 23.933 2.155 3.846 1.00 0.58 H new ATOM 0 HG22 THR A 67 22.496 3.195 3.992 1.00 0.58 H new ATOM 0 HG23 THR A 67 22.492 1.567 4.710 1.00 0.58 H new ATOM 1061 N ARG A 68 18.983 0.679 1.271 1.00 0.84 N ATOM 1062 CA ARG A 68 18.359 0.153 0.028 1.00 1.30 C ATOM 1063 C ARG A 68 17.890 1.315 -0.851 1.00 1.01 C ATOM 1064 O ARG A 68 18.514 1.650 -1.838 1.00 0.97 O ATOM 1065 CB ARG A 68 17.156 -0.713 0.414 1.00 1.71 C ATOM 1066 CG ARG A 68 17.531 -2.200 0.385 1.00 1.97 C ATOM 1067 CD ARG A 68 18.839 -2.443 1.146 1.00 2.08 C ATOM 1068 NE ARG A 68 19.965 -2.562 0.177 1.00 1.24 N ATOM 1069 CZ ARG A 68 21.199 -2.475 0.598 1.00 2.60 C ATOM 1070 NH1 ARG A 68 21.445 -2.285 1.865 1.00 4.42 N ATOM 1071 NH2 ARG A 68 22.185 -2.579 -0.251 1.00 2.49 N ATOM 0 H ARG A 68 18.379 0.665 2.093 1.00 0.84 H new ATOM 0 HA ARG A 68 19.086 -0.439 -0.528 1.00 1.30 H new ATOM 0 HB2 ARG A 68 16.808 -0.439 1.410 1.00 1.71 H new ATOM 0 HB3 ARG A 68 16.331 -0.527 -0.274 1.00 1.71 H new ATOM 0 HG2 ARG A 68 16.730 -2.791 0.830 1.00 1.97 H new ATOM 0 HG3 ARG A 68 17.638 -2.533 -0.647 1.00 1.97 H new ATOM 0 HD2 ARG A 68 19.027 -1.622 1.838 1.00 2.08 H new ATOM 0 HD3 ARG A 68 18.761 -3.352 1.742 1.00 2.08 H new ATOM 0 HE ARG A 68 19.773 -2.711 -0.814 1.00 1.24 H new ATOM 0 HH11 ARG A 68 20.674 -2.204 2.528 1.00 4.42 H new ATOM 0 HH12 ARG A 68 22.408 -2.217 2.193 1.00 4.42 H new ATOM 0 HH21 ARG A 68 21.992 -2.728 -1.241 1.00 2.49 H new ATOM 0 HH22 ARG A 68 23.149 -2.511 0.076 1.00 2.49 H new ATOM 1085 N CYS A 69 16.789 1.924 -0.504 1.00 0.85 N ATOM 1086 CA CYS A 69 16.267 3.057 -1.322 1.00 0.57 C ATOM 1087 C CYS A 69 16.726 4.390 -0.725 1.00 0.60 C ATOM 1088 O CYS A 69 16.050 5.393 -0.835 1.00 0.76 O ATOM 1089 CB CYS A 69 14.739 3.001 -1.337 1.00 0.59 C ATOM 1090 SG CYS A 69 14.207 1.271 -1.308 1.00 0.67 S ATOM 0 H CYS A 69 16.227 1.685 0.313 1.00 0.85 H new ATOM 0 HA CYS A 69 16.650 2.975 -2.339 1.00 0.57 H new ATOM 0 HB2 CYS A 69 14.335 3.533 -0.475 1.00 0.59 H new ATOM 0 HB3 CYS A 69 14.354 3.498 -2.227 1.00 0.59 H new ATOM 1095 N LEU A 70 17.872 4.415 -0.100 1.00 0.49 N ATOM 1096 CA LEU A 70 18.365 5.691 0.493 1.00 0.52 C ATOM 1097 C LEU A 70 19.159 6.463 -0.563 1.00 0.59 C ATOM 1098 O LEU A 70 19.027 7.663 -0.700 1.00 0.71 O ATOM 1099 CB LEU A 70 19.274 5.390 1.690 1.00 0.44 C ATOM 1100 CG LEU A 70 18.433 5.203 2.960 1.00 0.43 C ATOM 1101 CD1 LEU A 70 19.334 4.716 4.097 1.00 0.52 C ATOM 1102 CD2 LEU A 70 17.784 6.531 3.372 1.00 0.55 C ATOM 0 H LEU A 70 18.486 3.610 0.025 1.00 0.49 H new ATOM 0 HA LEU A 70 17.515 6.287 0.827 1.00 0.52 H new ATOM 0 HB2 LEU A 70 19.858 4.490 1.496 1.00 0.44 H new ATOM 0 HB3 LEU A 70 19.983 6.205 1.831 1.00 0.44 H new ATOM 0 HG LEU A 70 17.651 4.470 2.759 1.00 0.43 H new ATOM 0 HD11 LEU A 70 18.739 4.582 5.001 1.00 0.52 H new ATOM 0 HD12 LEU A 70 19.790 3.766 3.819 1.00 0.52 H new ATOM 0 HD13 LEU A 70 20.116 5.453 4.283 1.00 0.52 H new ATOM 0 HD21 LEU A 70 17.191 6.382 4.274 1.00 0.55 H new ATOM 0 HD22 LEU A 70 18.561 7.271 3.567 1.00 0.55 H new ATOM 0 HD23 LEU A 70 17.139 6.885 2.568 1.00 0.55 H new ATOM 1114 N GLY A 71 19.983 5.782 -1.314 1.00 0.73 N ATOM 1115 CA GLY A 71 20.784 6.476 -2.361 1.00 0.90 C ATOM 1116 C GLY A 71 21.980 7.173 -1.712 1.00 0.74 C ATOM 1117 O GLY A 71 22.403 6.822 -0.628 1.00 0.68 O ATOM 0 H GLY A 71 20.135 4.776 -1.247 1.00 0.73 H new ATOM 0 HA2 GLY A 71 21.128 5.758 -3.105 1.00 0.90 H new ATOM 0 HA3 GLY A 71 20.165 7.205 -2.884 1.00 0.90 H new ATOM 1121 N ALA A 72 22.530 8.161 -2.366 1.00 0.73 N ATOM 1122 CA ALA A 72 23.699 8.880 -1.787 1.00 0.63 C ATOM 1123 C ALA A 72 23.650 10.351 -2.205 1.00 0.44 C ATOM 1124 O ALA A 72 24.016 11.232 -1.453 1.00 0.37 O ATOM 1125 CB ALA A 72 24.993 8.246 -2.300 1.00 0.85 C ATOM 0 H ALA A 72 22.219 8.500 -3.276 1.00 0.73 H new ATOM 0 HA ALA A 72 23.667 8.810 -0.700 1.00 0.63 H new ATOM 0 HB1 ALA A 72 25.849 8.772 -1.877 1.00 0.85 H new ATOM 0 HB2 ALA A 72 25.028 7.198 -2.002 1.00 0.85 H new ATOM 0 HB3 ALA A 72 25.026 8.316 -3.387 1.00 0.85 H new ATOM 1131 N THR A 73 23.200 10.623 -3.400 1.00 0.40 N ATOM 1132 CA THR A 73 23.129 12.037 -3.865 1.00 0.30 C ATOM 1133 C THR A 73 22.294 12.856 -2.877 1.00 0.29 C ATOM 1134 O THR A 73 21.653 12.318 -1.997 1.00 0.27 O ATOM 1135 CB THR A 73 22.479 12.086 -5.248 1.00 0.34 C ATOM 1136 OG1 THR A 73 22.738 10.871 -5.936 1.00 1.10 O ATOM 1137 CG2 THR A 73 23.056 13.259 -6.044 1.00 1.12 C ATOM 0 H THR A 73 22.879 9.928 -4.074 1.00 0.40 H new ATOM 0 HA THR A 73 24.135 12.453 -3.923 1.00 0.30 H new ATOM 0 HB THR A 73 21.403 12.219 -5.139 1.00 0.34 H new ATOM 0 HG1 THR A 73 22.320 10.901 -6.822 1.00 1.10 H new ATOM 0 HG21 THR A 73 22.592 13.293 -7.030 1.00 1.12 H new ATOM 0 HG22 THR A 73 22.855 14.191 -5.516 1.00 1.12 H new ATOM 0 HG23 THR A 73 24.133 13.129 -6.154 1.00 1.12 H new ATOM 1145 N ALA A 74 22.296 14.153 -3.018 1.00 0.35 N ATOM 1146 CA ALA A 74 21.502 15.004 -2.087 1.00 0.41 C ATOM 1147 C ALA A 74 20.077 15.155 -2.624 1.00 0.42 C ATOM 1148 O ALA A 74 19.192 15.628 -1.938 1.00 0.73 O ATOM 1149 CB ALA A 74 22.154 16.384 -1.977 1.00 0.51 C ATOM 0 H ALA A 74 22.812 14.660 -3.737 1.00 0.35 H new ATOM 0 HA ALA A 74 21.472 14.536 -1.103 1.00 0.41 H new ATOM 0 HB1 ALA A 74 21.574 17.007 -1.296 1.00 0.51 H new ATOM 0 HB2 ALA A 74 23.169 16.277 -1.595 1.00 0.51 H new ATOM 0 HB3 ALA A 74 22.184 16.852 -2.961 1.00 0.51 H new ATOM 1155 N GLN A 75 19.847 14.755 -3.845 1.00 0.26 N ATOM 1156 CA GLN A 75 18.479 14.875 -4.422 1.00 0.20 C ATOM 1157 C GLN A 75 17.686 13.599 -4.129 1.00 0.13 C ATOM 1158 O GLN A 75 16.482 13.626 -3.974 1.00 0.18 O ATOM 1159 CB GLN A 75 18.578 15.081 -5.936 1.00 0.18 C ATOM 1160 CG GLN A 75 19.478 14.003 -6.543 1.00 0.27 C ATOM 1161 CD GLN A 75 19.482 14.140 -8.066 1.00 0.72 C ATOM 1162 OE1 GLN A 75 19.924 13.251 -8.767 1.00 1.62 O ATOM 1163 NE2 GLN A 75 19.006 15.225 -8.613 1.00 1.31 N ATOM 0 H GLN A 75 20.547 14.351 -4.467 1.00 0.26 H new ATOM 0 HA GLN A 75 17.970 15.728 -3.973 1.00 0.20 H new ATOM 0 HB2 GLN A 75 17.586 15.036 -6.385 1.00 0.18 H new ATOM 0 HB3 GLN A 75 18.981 16.070 -6.153 1.00 0.18 H new ATOM 0 HG2 GLN A 75 20.492 14.101 -6.156 1.00 0.27 H new ATOM 0 HG3 GLN A 75 19.122 13.013 -6.257 1.00 0.27 H new ATOM 0 HE21 GLN A 75 18.635 15.972 -8.026 1.00 1.31 H new ATOM 0 HE22 GLN A 75 19.005 15.326 -9.628 1.00 1.31 H new ATOM 1172 N GLN A 76 18.354 12.481 -4.049 1.00 0.05 N ATOM 1173 CA GLN A 76 17.639 11.205 -3.765 1.00 0.06 C ATOM 1174 C GLN A 76 17.332 11.116 -2.269 1.00 0.11 C ATOM 1175 O GLN A 76 16.346 10.538 -1.860 1.00 0.23 O ATOM 1176 CB GLN A 76 18.517 10.023 -4.178 1.00 0.11 C ATOM 1177 CG GLN A 76 17.793 8.712 -3.864 1.00 0.75 C ATOM 1178 CD GLN A 76 18.122 7.677 -4.940 1.00 0.58 C ATOM 1179 OE1 GLN A 76 19.240 7.206 -5.026 1.00 1.33 O ATOM 1180 NE2 GLN A 76 17.190 7.299 -5.773 1.00 0.78 N ATOM 0 H GLN A 76 19.363 12.396 -4.168 1.00 0.05 H new ATOM 0 HA GLN A 76 16.707 11.177 -4.330 1.00 0.06 H new ATOM 0 HB2 GLN A 76 18.743 10.079 -5.243 1.00 0.11 H new ATOM 0 HB3 GLN A 76 19.469 10.061 -3.648 1.00 0.11 H new ATOM 0 HG2 GLN A 76 18.096 8.343 -2.884 1.00 0.75 H new ATOM 0 HG3 GLN A 76 16.717 8.880 -3.823 1.00 0.75 H new ATOM 0 HE21 GLN A 76 16.252 7.693 -5.702 1.00 0.78 H new ATOM 0 HE22 GLN A 76 17.400 6.609 -6.495 1.00 0.78 H new ATOM 1189 N PHE A 77 18.172 11.687 -1.449 1.00 0.07 N ATOM 1190 CA PHE A 77 17.929 11.637 0.020 1.00 0.11 C ATOM 1191 C PHE A 77 16.540 12.205 0.323 1.00 0.10 C ATOM 1192 O PHE A 77 15.760 11.611 1.041 1.00 0.13 O ATOM 1193 CB PHE A 77 18.989 12.471 0.742 1.00 0.14 C ATOM 1194 CG PHE A 77 18.769 12.386 2.232 1.00 0.18 C ATOM 1195 CD1 PHE A 77 19.094 11.211 2.922 1.00 0.15 C ATOM 1196 CD2 PHE A 77 18.242 13.481 2.927 1.00 0.27 C ATOM 1197 CE1 PHE A 77 18.889 11.131 4.304 1.00 0.19 C ATOM 1198 CE2 PHE A 77 18.037 13.401 4.309 1.00 0.30 C ATOM 1199 CZ PHE A 77 18.362 12.227 4.998 1.00 0.25 C ATOM 0 H PHE A 77 19.015 12.186 -1.733 1.00 0.07 H new ATOM 0 HA PHE A 77 17.985 10.604 0.364 1.00 0.11 H new ATOM 0 HB2 PHE A 77 19.986 12.109 0.490 1.00 0.14 H new ATOM 0 HB3 PHE A 77 18.935 13.509 0.415 1.00 0.14 H new ATOM 0 HD1 PHE A 77 19.503 10.367 2.387 1.00 0.15 H new ATOM 0 HD2 PHE A 77 17.993 14.388 2.396 1.00 0.27 H new ATOM 0 HE1 PHE A 77 19.137 10.224 4.835 1.00 0.19 H new ATOM 0 HE2 PHE A 77 17.628 14.245 4.844 1.00 0.30 H new ATOM 0 HZ PHE A 77 18.206 12.166 6.065 1.00 0.25 H new ATOM 1209 N HIS A 78 16.225 13.347 -0.222 1.00 0.08 N ATOM 1210 CA HIS A 78 14.887 13.950 0.032 1.00 0.10 C ATOM 1211 C HIS A 78 13.819 13.142 -0.707 1.00 0.04 C ATOM 1212 O HIS A 78 12.804 12.777 -0.147 1.00 0.07 O ATOM 1213 CB HIS A 78 14.874 15.395 -0.471 1.00 0.16 C ATOM 1214 CG HIS A 78 13.746 16.144 0.183 1.00 0.14 C ATOM 1215 ND1 HIS A 78 13.632 17.523 0.104 1.00 0.29 N ATOM 1216 CD2 HIS A 78 12.675 15.721 0.930 1.00 0.04 C ATOM 1217 CE1 HIS A 78 12.528 17.878 0.787 1.00 0.28 C ATOM 1218 NE2 HIS A 78 11.907 16.819 1.311 1.00 0.12 N ATOM 0 H HIS A 78 16.837 13.889 -0.833 1.00 0.08 H new ATOM 0 HA HIS A 78 14.678 13.938 1.102 1.00 0.10 H new ATOM 0 HB2 HIS A 78 15.825 15.878 -0.245 1.00 0.16 H new ATOM 0 HB3 HIS A 78 14.757 15.413 -1.555 1.00 0.16 H new ATOM 0 HD1 HIS A 78 14.269 18.154 -0.383 1.00 0.29 H new ATOM 0 HD2 HIS A 78 12.460 14.693 1.184 1.00 0.04 H new ATOM 0 HE1 HIS A 78 12.186 18.896 0.898 1.00 0.28 H new ATOM 1226 N ARG A 79 14.040 12.858 -1.962 1.00 0.13 N ATOM 1227 CA ARG A 79 13.037 12.072 -2.735 1.00 0.19 C ATOM 1228 C ARG A 79 12.713 10.782 -1.979 1.00 0.19 C ATOM 1229 O ARG A 79 11.620 10.257 -2.069 1.00 0.22 O ATOM 1230 CB ARG A 79 13.611 11.727 -4.111 1.00 0.30 C ATOM 1231 CG ARG A 79 12.541 11.950 -5.181 1.00 0.22 C ATOM 1232 CD ARG A 79 13.109 11.587 -6.554 1.00 0.26 C ATOM 1233 NE ARG A 79 12.276 12.214 -7.618 1.00 0.68 N ATOM 1234 CZ ARG A 79 12.728 12.293 -8.839 1.00 0.68 C ATOM 1235 NH1 ARG A 79 13.910 11.822 -9.129 1.00 0.75 N ATOM 1236 NH2 ARG A 79 11.998 12.843 -9.772 1.00 1.32 N ATOM 0 H ARG A 79 14.871 13.136 -2.485 1.00 0.13 H new ATOM 0 HA ARG A 79 12.128 12.660 -2.859 1.00 0.19 H new ATOM 0 HB2 ARG A 79 14.483 12.347 -4.319 1.00 0.30 H new ATOM 0 HB3 ARG A 79 13.946 10.690 -4.127 1.00 0.30 H new ATOM 0 HG2 ARG A 79 11.664 11.340 -4.966 1.00 0.22 H new ATOM 0 HG3 ARG A 79 12.216 12.990 -5.174 1.00 0.22 H new ATOM 0 HD2 ARG A 79 14.140 11.930 -6.635 1.00 0.26 H new ATOM 0 HD3 ARG A 79 13.123 10.504 -6.679 1.00 0.26 H new ATOM 0 HE ARG A 79 11.352 12.582 -7.392 1.00 0.68 H new ATOM 0 HH11 ARG A 79 14.480 11.392 -8.401 1.00 0.75 H new ATOM 0 HH12 ARG A 79 14.263 11.884 -10.084 1.00 0.75 H new ATOM 0 HH21 ARG A 79 11.074 13.211 -9.546 1.00 1.32 H new ATOM 0 HH22 ARG A 79 12.352 12.905 -10.727 1.00 1.32 H new ATOM 1250 N HIS A 80 13.653 10.267 -1.235 1.00 0.18 N ATOM 1251 CA HIS A 80 13.397 9.011 -0.475 1.00 0.23 C ATOM 1252 C HIS A 80 12.480 9.312 0.712 1.00 0.15 C ATOM 1253 O HIS A 80 11.477 8.657 0.915 1.00 0.16 O ATOM 1254 CB HIS A 80 14.724 8.446 0.037 1.00 0.32 C ATOM 1255 CG HIS A 80 14.453 7.336 1.014 1.00 0.37 C ATOM 1256 ND1 HIS A 80 14.210 6.033 0.604 1.00 0.42 N ATOM 1257 CD2 HIS A 80 14.383 7.315 2.385 1.00 0.40 C ATOM 1258 CE1 HIS A 80 14.008 5.292 1.709 1.00 0.45 C ATOM 1259 NE2 HIS A 80 14.103 6.024 2.821 1.00 0.45 N ATOM 0 H HIS A 80 14.587 10.661 -1.121 1.00 0.18 H new ATOM 0 HA HIS A 80 12.919 8.281 -1.128 1.00 0.23 H new ATOM 0 HB2 HIS A 80 15.319 8.074 -0.797 1.00 0.32 H new ATOM 0 HB3 HIS A 80 15.306 9.233 0.517 1.00 0.32 H new ATOM 0 HD1 HIS A 80 14.188 5.698 -0.359 1.00 0.42 H new ATOM 0 HD2 HIS A 80 14.524 8.171 3.028 1.00 0.40 H new ATOM 0 HE1 HIS A 80 13.795 4.233 1.697 1.00 0.45 H new ATOM 1267 N LYS A 81 12.815 10.298 1.498 1.00 0.13 N ATOM 1268 CA LYS A 81 11.961 10.640 2.670 1.00 0.19 C ATOM 1269 C LYS A 81 10.508 10.791 2.215 1.00 0.11 C ATOM 1270 O LYS A 81 9.600 10.254 2.818 1.00 0.11 O ATOM 1271 CB LYS A 81 12.443 11.955 3.286 1.00 0.31 C ATOM 1272 CG LYS A 81 13.859 11.774 3.836 1.00 0.44 C ATOM 1273 CD LYS A 81 13.867 12.074 5.335 1.00 0.66 C ATOM 1274 CE LYS A 81 15.301 12.000 5.864 1.00 0.85 C ATOM 1275 NZ LYS A 81 15.282 11.603 7.300 1.00 0.94 N ATOM 0 H LYS A 81 13.643 10.882 1.379 1.00 0.13 H new ATOM 0 HA LYS A 81 12.028 9.845 3.413 1.00 0.19 H new ATOM 0 HB2 LYS A 81 12.431 12.746 2.536 1.00 0.31 H new ATOM 0 HB3 LYS A 81 11.768 12.263 4.085 1.00 0.31 H new ATOM 0 HG2 LYS A 81 14.203 10.755 3.657 1.00 0.44 H new ATOM 0 HG3 LYS A 81 14.550 12.439 3.318 1.00 0.44 H new ATOM 0 HD2 LYS A 81 13.451 13.064 5.520 1.00 0.66 H new ATOM 0 HD3 LYS A 81 13.236 11.359 5.863 1.00 0.66 H new ATOM 0 HE2 LYS A 81 15.877 11.279 5.284 1.00 0.85 H new ATOM 0 HE3 LYS A 81 15.792 12.966 5.749 1.00 0.85 H new ATOM 0 HZ1 LYS A 81 16.257 11.553 7.659 1.00 0.94 H new ATOM 0 HZ2 LYS A 81 14.747 12.307 7.848 1.00 0.94 H new ATOM 0 HZ3 LYS A 81 14.829 10.672 7.397 1.00 0.94 H new ATOM 1289 N GLN A 82 10.283 11.517 1.155 1.00 0.15 N ATOM 1290 CA GLN A 82 8.889 11.701 0.661 1.00 0.25 C ATOM 1291 C GLN A 82 8.241 10.332 0.445 1.00 0.23 C ATOM 1292 O GLN A 82 7.113 10.101 0.834 1.00 0.27 O ATOM 1293 CB GLN A 82 8.915 12.468 -0.663 1.00 0.34 C ATOM 1294 CG GLN A 82 8.062 13.733 -0.538 1.00 0.32 C ATOM 1295 CD GLN A 82 8.087 14.498 -1.863 1.00 0.58 C ATOM 1296 OE1 GLN A 82 8.169 15.710 -1.875 1.00 0.87 O ATOM 1297 NE2 GLN A 82 8.018 13.837 -2.985 1.00 1.82 N ATOM 0 H GLN A 82 11.003 11.991 0.610 1.00 0.15 H new ATOM 0 HA GLN A 82 8.313 12.264 1.396 1.00 0.25 H new ATOM 0 HB2 GLN A 82 9.940 12.732 -0.922 1.00 0.34 H new ATOM 0 HB3 GLN A 82 8.535 11.838 -1.468 1.00 0.34 H new ATOM 0 HG2 GLN A 82 7.037 13.469 -0.277 1.00 0.32 H new ATOM 0 HG3 GLN A 82 8.443 14.363 0.265 1.00 0.32 H new ATOM 0 HE21 GLN A 82 7.949 12.819 -2.974 1.00 1.82 H new ATOM 0 HE22 GLN A 82 8.033 14.338 -3.874 1.00 1.82 H new ATOM 1306 N LEU A 83 8.944 9.423 -0.173 1.00 0.22 N ATOM 1307 CA LEU A 83 8.366 8.070 -0.413 1.00 0.28 C ATOM 1308 C LEU A 83 7.903 7.475 0.919 1.00 0.20 C ATOM 1309 O LEU A 83 6.744 7.160 1.101 1.00 0.22 O ATOM 1310 CB LEU A 83 9.433 7.164 -1.035 1.00 0.33 C ATOM 1311 CG LEU A 83 8.757 6.054 -1.844 1.00 0.46 C ATOM 1312 CD1 LEU A 83 9.826 5.162 -2.476 1.00 0.56 C ATOM 1313 CD2 LEU A 83 7.876 5.212 -0.920 1.00 0.44 C ATOM 0 H LEU A 83 9.893 9.558 -0.522 1.00 0.22 H new ATOM 0 HA LEU A 83 7.517 8.149 -1.092 1.00 0.28 H new ATOM 0 HB2 LEU A 83 10.090 7.748 -1.679 1.00 0.33 H new ATOM 0 HB3 LEU A 83 10.056 6.730 -0.253 1.00 0.33 H new ATOM 0 HG LEU A 83 8.143 6.499 -2.627 1.00 0.46 H new ATOM 0 HD11 LEU A 83 9.346 4.371 -3.052 1.00 0.56 H new ATOM 0 HD12 LEU A 83 10.456 5.760 -3.135 1.00 0.56 H new ATOM 0 HD13 LEU A 83 10.440 4.718 -1.692 1.00 0.56 H new ATOM 0 HD21 LEU A 83 7.395 4.422 -1.496 1.00 0.44 H new ATOM 0 HD22 LEU A 83 8.490 4.767 -0.137 1.00 0.44 H new ATOM 0 HD23 LEU A 83 7.114 5.846 -0.467 1.00 0.44 H new ATOM 1325 N ILE A 84 8.802 7.320 1.853 1.00 0.12 N ATOM 1326 CA ILE A 84 8.415 6.745 3.173 1.00 0.08 C ATOM 1327 C ILE A 84 7.187 7.483 3.712 1.00 0.03 C ATOM 1328 O ILE A 84 6.261 6.880 4.215 1.00 0.06 O ATOM 1329 CB ILE A 84 9.576 6.906 4.158 1.00 0.11 C ATOM 1330 CG1 ILE A 84 10.883 6.465 3.489 1.00 0.16 C ATOM 1331 CG2 ILE A 84 9.323 6.047 5.399 1.00 0.21 C ATOM 1332 CD1 ILE A 84 10.696 5.091 2.839 1.00 0.27 C ATOM 0 H ILE A 84 9.787 7.567 1.759 1.00 0.12 H new ATOM 0 HA ILE A 84 8.181 5.687 3.053 1.00 0.08 H new ATOM 0 HB ILE A 84 9.654 7.952 4.453 1.00 0.11 H new ATOM 0 HG12 ILE A 84 11.182 7.195 2.737 1.00 0.16 H new ATOM 0 HG13 ILE A 84 11.684 6.422 4.227 1.00 0.16 H new ATOM 0 HG21 ILE A 84 10.151 6.164 6.098 1.00 0.21 H new ATOM 0 HG22 ILE A 84 8.397 6.364 5.878 1.00 0.21 H new ATOM 0 HG23 ILE A 84 9.241 5.000 5.106 1.00 0.21 H new ATOM 0 HD11 ILE A 84 11.628 4.783 2.365 1.00 0.27 H new ATOM 0 HD12 ILE A 84 10.418 4.363 3.601 1.00 0.27 H new ATOM 0 HD13 ILE A 84 9.909 5.148 2.088 1.00 0.27 H new ATOM 1344 N ARG A 85 7.172 8.784 3.614 1.00 0.06 N ATOM 1345 CA ARG A 85 6.004 9.556 4.124 1.00 0.11 C ATOM 1346 C ARG A 85 4.723 9.046 3.461 1.00 0.11 C ATOM 1347 O ARG A 85 3.747 8.752 4.120 1.00 0.12 O ATOM 1348 CB ARG A 85 6.192 11.039 3.796 1.00 0.18 C ATOM 1349 CG ARG A 85 6.573 11.800 5.067 1.00 0.37 C ATOM 1350 CD ARG A 85 6.781 13.279 4.734 1.00 1.08 C ATOM 1351 NE ARG A 85 8.191 13.498 4.308 1.00 2.53 N ATOM 1352 CZ ARG A 85 8.523 14.603 3.698 1.00 3.53 C ATOM 1353 NH1 ARG A 85 7.620 15.515 3.462 1.00 3.45 N ATOM 1354 NH2 ARG A 85 9.759 14.796 3.324 1.00 4.95 N ATOM 0 H ARG A 85 7.918 9.346 3.203 1.00 0.06 H new ATOM 0 HA ARG A 85 5.928 9.428 5.204 1.00 0.11 H new ATOM 0 HB2 ARG A 85 6.969 11.159 3.041 1.00 0.18 H new ATOM 0 HB3 ARG A 85 5.273 11.449 3.376 1.00 0.18 H new ATOM 0 HG2 ARG A 85 5.789 11.692 5.817 1.00 0.37 H new ATOM 0 HG3 ARG A 85 7.484 11.381 5.495 1.00 0.37 H new ATOM 0 HD2 ARG A 85 6.099 13.584 3.941 1.00 1.08 H new ATOM 0 HD3 ARG A 85 6.553 13.894 5.604 1.00 1.08 H new ATOM 0 HE ARG A 85 8.897 12.785 4.493 1.00 2.53 H new ATOM 0 HH11 ARG A 85 6.654 15.364 3.754 1.00 3.45 H new ATOM 0 HH12 ARG A 85 7.880 16.379 2.985 1.00 3.45 H new ATOM 0 HH21 ARG A 85 10.465 14.083 3.509 1.00 4.95 H new ATOM 0 HH22 ARG A 85 10.019 15.660 2.847 1.00 4.95 H new ATOM 1368 N PHE A 86 4.718 8.939 2.160 1.00 0.13 N ATOM 1369 CA PHE A 86 3.500 8.451 1.456 1.00 0.16 C ATOM 1370 C PHE A 86 3.063 7.112 2.054 1.00 0.08 C ATOM 1371 O PHE A 86 1.911 6.915 2.383 1.00 0.07 O ATOM 1372 CB PHE A 86 3.811 8.266 -0.031 1.00 0.26 C ATOM 1373 CG PHE A 86 3.592 9.573 -0.756 1.00 0.37 C ATOM 1374 CD1 PHE A 86 2.292 10.045 -0.971 1.00 0.30 C ATOM 1375 CD2 PHE A 86 4.690 10.313 -1.213 1.00 0.56 C ATOM 1376 CE1 PHE A 86 2.089 11.256 -1.644 1.00 0.41 C ATOM 1377 CE2 PHE A 86 4.487 11.523 -1.886 1.00 0.67 C ATOM 1378 CZ PHE A 86 3.187 11.995 -2.101 1.00 0.59 C ATOM 0 H PHE A 86 5.506 9.169 1.555 1.00 0.13 H new ATOM 0 HA PHE A 86 2.698 9.180 1.574 1.00 0.16 H new ATOM 0 HB2 PHE A 86 4.841 7.934 -0.160 1.00 0.26 H new ATOM 0 HB3 PHE A 86 3.171 7.491 -0.454 1.00 0.26 H new ATOM 0 HD1 PHE A 86 1.445 9.475 -0.618 1.00 0.30 H new ATOM 0 HD2 PHE A 86 5.693 9.950 -1.046 1.00 0.56 H new ATOM 0 HE1 PHE A 86 1.086 11.620 -1.811 1.00 0.41 H new ATOM 0 HE2 PHE A 86 5.334 12.093 -2.240 1.00 0.67 H new ATOM 0 HZ PHE A 86 3.031 12.929 -2.620 1.00 0.59 H new ATOM 1388 N LEU A 87 3.973 6.188 2.197 1.00 0.13 N ATOM 1389 CA LEU A 87 3.604 4.863 2.772 1.00 0.20 C ATOM 1390 C LEU A 87 3.113 5.046 4.209 1.00 0.21 C ATOM 1391 O LEU A 87 2.017 4.651 4.556 1.00 0.31 O ATOM 1392 CB LEU A 87 4.827 3.945 2.762 1.00 0.27 C ATOM 1393 CG LEU A 87 5.484 3.985 1.382 1.00 0.43 C ATOM 1394 CD1 LEU A 87 6.687 3.041 1.357 1.00 0.45 C ATOM 1395 CD2 LEU A 87 4.471 3.546 0.323 1.00 0.51 C ATOM 0 H LEU A 87 4.955 6.293 1.941 1.00 0.13 H new ATOM 0 HA LEU A 87 2.810 4.417 2.174 1.00 0.20 H new ATOM 0 HB2 LEU A 87 5.539 4.262 3.525 1.00 0.27 H new ATOM 0 HB3 LEU A 87 4.531 2.925 3.006 1.00 0.27 H new ATOM 0 HG LEU A 87 5.817 5.001 1.170 1.00 0.43 H new ATOM 0 HD11 LEU A 87 7.153 3.072 0.372 1.00 0.45 H new ATOM 0 HD12 LEU A 87 7.410 3.353 2.111 1.00 0.45 H new ATOM 0 HD13 LEU A 87 6.356 2.025 1.570 1.00 0.45 H new ATOM 0 HD21 LEU A 87 4.938 3.574 -0.661 1.00 0.51 H new ATOM 0 HD22 LEU A 87 4.137 2.531 0.537 1.00 0.51 H new ATOM 0 HD23 LEU A 87 3.614 4.220 0.337 1.00 0.51 H new ATOM 1407 N LYS A 88 3.916 5.639 5.049 1.00 0.21 N ATOM 1408 CA LYS A 88 3.499 5.844 6.466 1.00 0.24 C ATOM 1409 C LYS A 88 2.089 6.439 6.510 1.00 0.18 C ATOM 1410 O LYS A 88 1.401 6.352 7.509 1.00 0.19 O ATOM 1411 CB LYS A 88 4.476 6.802 7.150 1.00 0.25 C ATOM 1412 CG LYS A 88 5.169 6.082 8.310 1.00 0.56 C ATOM 1413 CD LYS A 88 6.197 7.017 8.949 1.00 0.60 C ATOM 1414 CE LYS A 88 6.444 6.590 10.398 1.00 1.06 C ATOM 1415 NZ LYS A 88 6.931 5.182 10.424 1.00 1.16 N ATOM 0 H LYS A 88 4.844 5.991 4.815 1.00 0.21 H new ATOM 0 HA LYS A 88 3.502 4.885 6.984 1.00 0.24 H new ATOM 0 HB2 LYS A 88 5.217 7.156 6.433 1.00 0.25 H new ATOM 0 HB3 LYS A 88 3.944 7.679 7.518 1.00 0.25 H new ATOM 0 HG2 LYS A 88 4.433 5.772 9.052 1.00 0.56 H new ATOM 0 HG3 LYS A 88 5.659 5.177 7.950 1.00 0.56 H new ATOM 0 HD2 LYS A 88 7.130 6.988 8.386 1.00 0.60 H new ATOM 0 HD3 LYS A 88 5.838 8.046 8.918 1.00 0.60 H new ATOM 0 HE2 LYS A 88 7.178 7.249 10.863 1.00 1.06 H new ATOM 0 HE3 LYS A 88 5.524 6.679 10.977 1.00 1.06 H new ATOM 0 HZ1 LYS A 88 7.306 4.962 11.369 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 6.144 4.538 10.205 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 7.684 5.062 9.716 1.00 1.16 H new ATOM 1429 N ARG A 89 1.651 7.044 5.440 1.00 0.12 N ATOM 1430 CA ARG A 89 0.286 7.644 5.433 1.00 0.09 C ATOM 1431 C ARG A 89 -0.732 6.602 4.963 1.00 0.10 C ATOM 1432 O ARG A 89 -1.459 6.030 5.752 1.00 0.24 O ATOM 1433 CB ARG A 89 0.259 8.847 4.487 1.00 0.12 C ATOM 1434 CG ARG A 89 -1.191 9.224 4.183 1.00 0.61 C ATOM 1435 CD ARG A 89 -1.281 10.726 3.903 1.00 0.32 C ATOM 1436 NE ARG A 89 -2.632 11.053 3.368 1.00 1.87 N ATOM 1437 CZ ARG A 89 -3.040 12.292 3.338 1.00 2.17 C ATOM 1438 NH1 ARG A 89 -2.265 13.245 3.777 1.00 1.52 N ATOM 1439 NH2 ARG A 89 -4.225 12.578 2.869 1.00 3.50 N ATOM 0 H ARG A 89 2.177 7.149 4.573 1.00 0.12 H new ATOM 0 HA ARG A 89 0.031 7.970 6.441 1.00 0.09 H new ATOM 0 HB2 ARG A 89 0.778 9.691 4.940 1.00 0.12 H new ATOM 0 HB3 ARG A 89 0.785 8.608 3.563 1.00 0.12 H new ATOM 0 HG2 ARG A 89 -1.551 8.661 3.322 1.00 0.61 H new ATOM 0 HG3 ARG A 89 -1.830 8.962 5.026 1.00 0.61 H new ATOM 0 HD2 ARG A 89 -1.095 11.289 4.818 1.00 0.32 H new ATOM 0 HD3 ARG A 89 -0.514 11.019 3.186 1.00 0.32 H new ATOM 0 HE ARG A 89 -3.238 10.308 3.025 1.00 1.87 H new ATOM 0 HH11 ARG A 89 -1.340 13.022 4.144 1.00 1.52 H new ATOM 0 HH12 ARG A 89 -2.584 14.213 3.753 1.00 1.52 H new ATOM 0 HH21 ARG A 89 -4.831 11.833 2.526 1.00 3.50 H new ATOM 0 HH22 ARG A 89 -4.544 13.547 2.846 1.00 3.50 H new ATOM 1453 N LEU A 90 -0.793 6.351 3.684 1.00 0.10 N ATOM 1454 CA LEU A 90 -1.768 5.348 3.169 1.00 0.16 C ATOM 1455 C LEU A 90 -1.641 4.052 3.972 1.00 0.20 C ATOM 1456 O LEU A 90 -2.540 3.235 3.996 1.00 0.32 O ATOM 1457 CB LEU A 90 -1.483 5.064 1.692 1.00 0.24 C ATOM 1458 CG LEU A 90 -0.052 4.547 1.532 1.00 0.29 C ATOM 1459 CD1 LEU A 90 -0.077 3.034 1.299 1.00 0.36 C ATOM 1460 CD2 LEU A 90 0.606 5.233 0.333 1.00 0.35 C ATOM 0 H LEU A 90 -0.211 6.796 2.974 1.00 0.10 H new ATOM 0 HA LEU A 90 -2.779 5.742 3.272 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -2.190 4.328 1.310 1.00 0.24 H new ATOM 0 HB3 LEU A 90 -1.620 5.972 1.104 1.00 0.24 H new ATOM 0 HG LEU A 90 0.515 4.767 2.436 1.00 0.29 H new ATOM 0 HD11 LEU A 90 0.943 2.667 1.185 1.00 0.36 H new ATOM 0 HD12 LEU A 90 -0.547 2.542 2.151 1.00 0.36 H new ATOM 0 HD13 LEU A 90 -0.645 2.814 0.395 1.00 0.36 H new ATOM 0 HD21 LEU A 90 1.626 4.865 0.218 1.00 0.35 H new ATOM 0 HD22 LEU A 90 0.037 5.012 -0.570 1.00 0.35 H new ATOM 0 HD23 LEU A 90 0.625 6.311 0.496 1.00 0.35 H new ATOM 1472 N ASP A 91 -0.533 3.856 4.633 1.00 0.13 N ATOM 1473 CA ASP A 91 -0.353 2.613 5.433 1.00 0.14 C ATOM 1474 C ASP A 91 -1.372 2.589 6.575 1.00 0.13 C ATOM 1475 O ASP A 91 -1.905 1.554 6.923 1.00 0.17 O ATOM 1476 CB ASP A 91 1.063 2.578 6.014 1.00 0.12 C ATOM 1477 CG ASP A 91 1.164 1.454 7.046 1.00 0.13 C ATOM 1478 OD1 ASP A 91 0.757 1.675 8.176 1.00 0.91 O ATOM 1479 OD2 ASP A 91 1.646 0.391 6.691 1.00 1.16 O ATOM 0 H ASP A 91 0.255 4.503 4.653 1.00 0.13 H new ATOM 0 HA ASP A 91 -0.504 1.745 4.791 1.00 0.14 H new ATOM 0 HB2 ASP A 91 1.790 2.421 5.218 1.00 0.12 H new ATOM 0 HB3 ASP A 91 1.301 3.535 6.479 1.00 0.12 H new ATOM 1484 N ARG A 92 -1.647 3.723 7.160 1.00 0.10 N ATOM 1485 CA ARG A 92 -2.630 3.764 8.278 1.00 0.14 C ATOM 1486 C ARG A 92 -4.046 3.884 7.709 1.00 0.16 C ATOM 1487 O ARG A 92 -5.006 3.451 8.312 1.00 0.16 O ATOM 1488 CB ARG A 92 -2.336 4.970 9.172 1.00 0.13 C ATOM 1489 CG ARG A 92 -0.953 4.811 9.807 1.00 0.16 C ATOM 1490 CD ARG A 92 -1.087 4.085 11.146 1.00 0.42 C ATOM 1491 NE ARG A 92 0.212 3.442 11.495 1.00 1.53 N ATOM 1492 CZ ARG A 92 0.428 3.024 12.712 1.00 1.85 C ATOM 1493 NH1 ARG A 92 -0.494 3.169 13.624 1.00 1.29 N ATOM 1494 NH2 ARG A 92 1.565 2.462 13.017 1.00 2.98 N ATOM 0 H ARG A 92 -1.233 4.622 6.912 1.00 0.10 H new ATOM 0 HA ARG A 92 -2.551 2.849 8.865 1.00 0.14 H new ATOM 0 HB2 ARG A 92 -2.375 5.888 8.586 1.00 0.13 H new ATOM 0 HB3 ARG A 92 -3.097 5.054 9.948 1.00 0.13 H new ATOM 0 HG2 ARG A 92 -0.298 4.250 9.141 1.00 0.16 H new ATOM 0 HG3 ARG A 92 -0.495 5.789 9.956 1.00 0.16 H new ATOM 0 HD2 ARG A 92 -1.378 4.789 11.926 1.00 0.42 H new ATOM 0 HD3 ARG A 92 -1.873 3.332 11.087 1.00 0.42 H new ATOM 0 HE ARG A 92 0.932 3.329 10.782 1.00 1.53 H new ATOM 0 HH11 ARG A 92 -1.383 3.609 13.385 1.00 1.29 H new ATOM 0 HH12 ARG A 92 -0.326 2.842 14.576 1.00 1.29 H new ATOM 0 HH21 ARG A 92 2.286 2.349 12.304 1.00 2.98 H new ATOM 0 HH22 ARG A 92 1.733 2.135 13.969 1.00 2.98 H new ATOM 1508 N ASN A 93 -4.182 4.471 6.550 1.00 0.20 N ATOM 1509 CA ASN A 93 -5.536 4.617 5.946 1.00 0.22 C ATOM 1510 C ASN A 93 -6.168 3.235 5.769 1.00 0.19 C ATOM 1511 O ASN A 93 -7.249 2.970 6.257 1.00 0.11 O ATOM 1512 CB ASN A 93 -5.414 5.299 4.581 1.00 0.28 C ATOM 1513 CG ASN A 93 -4.821 6.699 4.760 1.00 0.26 C ATOM 1514 OD1 ASN A 93 -5.362 7.668 4.266 1.00 1.24 O ATOM 1515 ND2 ASN A 93 -3.722 6.845 5.450 1.00 1.16 N ATOM 0 H ASN A 93 -3.415 4.855 5.997 1.00 0.20 H new ATOM 0 HA ASN A 93 -6.162 5.222 6.601 1.00 0.22 H new ATOM 0 HB2 ASN A 93 -4.780 4.706 3.922 1.00 0.28 H new ATOM 0 HB3 ASN A 93 -6.393 5.365 4.107 1.00 0.28 H new ATOM 0 HD21 ASN A 93 -3.317 7.773 5.574 1.00 1.16 H new ATOM 0 HD22 ASN A 93 -3.268 6.031 5.865 1.00 1.16 H new ATOM 1522 N LEU A 94 -5.503 2.353 5.075 1.00 0.26 N ATOM 1523 CA LEU A 94 -6.068 0.989 4.868 1.00 0.24 C ATOM 1524 C LEU A 94 -6.363 0.348 6.226 1.00 0.21 C ATOM 1525 O LEU A 94 -7.504 0.151 6.594 1.00 0.19 O ATOM 1526 CB LEU A 94 -5.057 0.129 4.106 1.00 0.26 C ATOM 1527 CG LEU A 94 -4.629 0.851 2.828 1.00 0.20 C ATOM 1528 CD1 LEU A 94 -3.618 -0.009 2.069 1.00 0.39 C ATOM 1529 CD2 LEU A 94 -5.854 1.096 1.943 1.00 0.28 C ATOM 0 H LEU A 94 -4.594 2.517 4.643 1.00 0.26 H new ATOM 0 HA LEU A 94 -6.991 1.061 4.292 1.00 0.24 H new ATOM 0 HB2 LEU A 94 -4.187 -0.069 4.733 1.00 0.26 H new ATOM 0 HB3 LEU A 94 -5.498 -0.837 3.860 1.00 0.26 H new ATOM 0 HG LEU A 94 -4.172 1.806 3.088 1.00 0.20 H new ATOM 0 HD11 LEU A 94 -3.313 0.506 1.158 1.00 0.39 H new ATOM 0 HD12 LEU A 94 -2.744 -0.183 2.697 1.00 0.39 H new ATOM 0 HD13 LEU A 94 -4.075 -0.964 1.810 1.00 0.39 H new ATOM 0 HD21 LEU A 94 -5.548 1.611 1.032 1.00 0.28 H new ATOM 0 HD22 LEU A 94 -6.312 0.142 1.684 1.00 0.28 H new ATOM 0 HD23 LEU A 94 -6.575 1.710 2.482 1.00 0.28 H new ATOM 1541 N TRP A 95 -5.344 0.020 6.971 1.00 0.33 N ATOM 1542 CA TRP A 95 -5.568 -0.608 8.304 1.00 0.31 C ATOM 1543 C TRP A 95 -6.607 0.202 9.082 1.00 0.32 C ATOM 1544 O TRP A 95 -7.137 -0.245 10.079 1.00 0.34 O ATOM 1545 CB TRP A 95 -4.253 -0.635 9.084 1.00 0.31 C ATOM 1546 CG TRP A 95 -4.487 -1.235 10.433 1.00 0.35 C ATOM 1547 CD1 TRP A 95 -4.931 -0.559 11.518 1.00 0.41 C ATOM 1548 CD2 TRP A 95 -4.301 -2.615 10.859 1.00 0.41 C ATOM 1549 NE1 TRP A 95 -5.027 -1.436 12.583 1.00 0.43 N ATOM 1550 CE2 TRP A 95 -4.650 -2.716 12.228 1.00 0.43 C ATOM 1551 CE3 TRP A 95 -3.866 -3.779 10.200 1.00 0.51 C ATOM 1552 CZ2 TRP A 95 -4.572 -3.928 12.915 1.00 0.51 C ATOM 1553 CZ3 TRP A 95 -3.786 -5.000 10.889 1.00 0.62 C ATOM 1554 CH2 TRP A 95 -4.138 -5.074 12.244 1.00 0.61 C ATOM 0 H TRP A 95 -4.367 0.159 6.715 1.00 0.33 H new ATOM 0 HA TRP A 95 -5.930 -1.627 8.168 1.00 0.31 H new ATOM 0 HB2 TRP A 95 -3.507 -1.215 8.541 1.00 0.31 H new ATOM 0 HB3 TRP A 95 -3.858 0.376 9.187 1.00 0.31 H new ATOM 0 HD1 TRP A 95 -5.171 0.494 11.547 1.00 0.41 H new ATOM 0 HE1 TRP A 95 -5.338 -1.170 13.517 1.00 0.43 H new ATOM 0 HE3 TRP A 95 -3.592 -3.733 9.156 1.00 0.51 H new ATOM 0 HZ2 TRP A 95 -4.845 -3.980 13.959 1.00 0.51 H new ATOM 0 HZ3 TRP A 95 -3.451 -5.887 10.372 1.00 0.62 H new ATOM 0 HH2 TRP A 95 -4.074 -6.016 12.769 1.00 0.61 H new ATOM 1565 N GLY A 96 -6.901 1.393 8.634 1.00 0.29 N ATOM 1566 CA GLY A 96 -7.905 2.230 9.349 1.00 0.29 C ATOM 1567 C GLY A 96 -9.314 1.750 8.997 1.00 0.35 C ATOM 1568 O GLY A 96 -9.998 1.154 9.805 1.00 0.45 O ATOM 0 H GLY A 96 -6.489 1.821 7.805 1.00 0.29 H new ATOM 0 HA2 GLY A 96 -7.746 2.167 10.426 1.00 0.29 H new ATOM 0 HA3 GLY A 96 -7.786 3.277 9.070 1.00 0.29 H new ATOM 1572 N LEU A 97 -9.754 2.004 7.794 1.00 0.35 N ATOM 1573 CA LEU A 97 -11.119 1.561 7.392 1.00 0.46 C ATOM 1574 C LEU A 97 -11.213 0.039 7.498 1.00 0.60 C ATOM 1575 O LEU A 97 -12.249 -0.546 7.250 1.00 0.72 O ATOM 1576 CB LEU A 97 -11.408 2.004 5.951 1.00 0.52 C ATOM 1577 CG LEU A 97 -10.249 1.602 5.018 1.00 0.61 C ATOM 1578 CD1 LEU A 97 -10.218 0.082 4.807 1.00 0.71 C ATOM 1579 CD2 LEU A 97 -10.436 2.291 3.665 1.00 0.71 C ATOM 0 H LEU A 97 -9.228 2.498 7.074 1.00 0.35 H new ATOM 0 HA LEU A 97 -11.856 2.014 8.055 1.00 0.46 H new ATOM 0 HB2 LEU A 97 -12.336 1.549 5.604 1.00 0.52 H new ATOM 0 HB3 LEU A 97 -11.551 3.084 5.918 1.00 0.52 H new ATOM 0 HG LEU A 97 -9.309 1.909 5.476 1.00 0.61 H new ATOM 0 HD11 LEU A 97 -9.392 -0.177 4.145 1.00 0.71 H new ATOM 0 HD12 LEU A 97 -10.083 -0.416 5.767 1.00 0.71 H new ATOM 0 HD13 LEU A 97 -11.157 -0.242 4.359 1.00 0.71 H new ATOM 0 HD21 LEU A 97 -9.620 2.012 2.999 1.00 0.71 H new ATOM 0 HD22 LEU A 97 -11.385 1.981 3.227 1.00 0.71 H new ATOM 0 HD23 LEU A 97 -10.437 3.372 3.804 1.00 0.71 H new ATOM 1591 N ALA A 98 -10.139 -0.607 7.860 1.00 0.61 N ATOM 1592 CA ALA A 98 -10.169 -2.091 7.979 1.00 0.76 C ATOM 1593 C ALA A 98 -10.621 -2.482 9.387 1.00 0.75 C ATOM 1594 O ALA A 98 -11.744 -2.896 9.596 1.00 0.74 O ATOM 1595 CB ALA A 98 -8.768 -2.650 7.720 1.00 0.90 C ATOM 0 H ALA A 98 -9.243 -0.171 8.078 1.00 0.61 H new ATOM 0 HA ALA A 98 -10.866 -2.500 7.248 1.00 0.76 H new ATOM 0 HB1 ALA A 98 -8.788 -3.736 7.807 1.00 0.90 H new ATOM 0 HB2 ALA A 98 -8.445 -2.372 6.717 1.00 0.90 H new ATOM 0 HB3 ALA A 98 -8.072 -2.240 8.452 1.00 0.90 H new ATOM 1601 N GLY A 99 -9.755 -2.354 10.355 1.00 0.86 N ATOM 1602 CA GLY A 99 -10.136 -2.719 11.749 1.00 0.93 C ATOM 1603 C GLY A 99 -9.967 -4.225 11.949 1.00 1.09 C ATOM 1604 O GLY A 99 -10.897 -4.991 11.788 1.00 1.91 O ATOM 0 H GLY A 99 -8.801 -2.013 10.241 1.00 0.86 H new ATOM 0 HA2 GLY A 99 -9.515 -2.175 12.461 1.00 0.93 H new ATOM 0 HA3 GLY A 99 -11.169 -2.430 11.942 1.00 0.93 H new ATOM 1608 N LEU A 100 -8.786 -4.658 12.298 1.00 0.57 N ATOM 1609 CA LEU A 100 -8.558 -6.115 12.507 1.00 0.63 C ATOM 1610 C LEU A 100 -7.517 -6.313 13.612 1.00 0.60 C ATOM 1611 O LEU A 100 -6.330 -6.376 13.355 1.00 1.13 O ATOM 1612 CB LEU A 100 -8.049 -6.744 11.208 1.00 0.67 C ATOM 1613 CG LEU A 100 -9.199 -7.464 10.500 1.00 0.74 C ATOM 1614 CD1 LEU A 100 -8.828 -7.698 9.035 1.00 0.79 C ATOM 1615 CD2 LEU A 100 -9.455 -8.811 11.180 1.00 0.85 C ATOM 0 H LEU A 100 -7.970 -4.065 12.447 1.00 0.57 H new ATOM 0 HA LEU A 100 -9.494 -6.592 12.798 1.00 0.63 H new ATOM 0 HB2 LEU A 100 -7.634 -5.974 10.558 1.00 0.67 H new ATOM 0 HB3 LEU A 100 -7.244 -7.447 11.424 1.00 0.67 H new ATOM 0 HG LEU A 100 -10.099 -6.852 10.556 1.00 0.74 H new ATOM 0 HD11 LEU A 100 -9.646 -8.211 8.530 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -8.645 -6.740 8.549 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -7.928 -8.310 8.981 1.00 0.79 H new ATOM 0 HD21 LEU A 100 -10.274 -9.323 10.675 1.00 0.85 H new ATOM 0 HD22 LEU A 100 -8.555 -9.423 11.125 1.00 0.85 H new ATOM 0 HD23 LEU A 100 -9.719 -8.647 12.225 1.00 0.85 H new ATOM 1627 N ASN A 101 -7.950 -6.409 14.839 1.00 0.28 N ATOM 1628 CA ASN A 101 -6.985 -6.601 15.956 1.00 0.21 C ATOM 1629 C ASN A 101 -6.078 -7.795 15.650 1.00 0.18 C ATOM 1630 O ASN A 101 -4.876 -7.660 15.537 1.00 0.37 O ATOM 1631 CB ASN A 101 -7.753 -6.865 17.254 1.00 0.23 C ATOM 1632 CG ASN A 101 -8.035 -5.537 17.959 1.00 0.81 C ATOM 1633 OD1 ASN A 101 -9.158 -5.262 18.336 1.00 1.75 O ATOM 1634 ND2 ASN A 101 -7.057 -4.696 18.155 1.00 1.17 N ATOM 0 H ASN A 101 -8.931 -6.363 15.116 1.00 0.28 H new ATOM 0 HA ASN A 101 -6.377 -5.703 16.068 1.00 0.21 H new ATOM 0 HB2 ASN A 101 -8.689 -7.380 17.037 1.00 0.23 H new ATOM 0 HB3 ASN A 101 -7.173 -7.519 17.906 1.00 0.23 H new ATOM 0 HD21 ASN A 101 -7.234 -3.808 18.624 1.00 1.17 H new ATOM 0 HD22 ASN A 101 -6.115 -4.927 17.839 1.00 1.17 H new ATOM 1641 N SER A 102 -6.643 -8.963 15.518 1.00 0.13 N ATOM 1642 CA SER A 102 -5.811 -10.164 15.221 1.00 0.08 C ATOM 1643 C SER A 102 -5.687 -10.339 13.706 1.00 0.10 C ATOM 1644 O SER A 102 -6.668 -10.343 12.989 1.00 0.19 O ATOM 1645 CB SER A 102 -6.472 -11.403 15.824 1.00 0.23 C ATOM 1646 OG SER A 102 -7.801 -11.514 15.330 1.00 1.66 O ATOM 0 H SER A 102 -7.644 -9.138 15.603 1.00 0.13 H new ATOM 0 HA SER A 102 -4.819 -10.034 15.653 1.00 0.08 H new ATOM 0 HB2 SER A 102 -5.901 -12.295 15.568 1.00 0.23 H new ATOM 0 HB3 SER A 102 -6.481 -11.332 16.912 1.00 0.23 H new ATOM 0 HG SER A 102 -7.837 -11.179 14.410 1.00 1.66 H new ATOM 1652 N CYS A 103 -4.487 -10.484 13.214 1.00 0.16 N ATOM 1653 CA CYS A 103 -4.299 -10.659 11.746 1.00 0.27 C ATOM 1654 C CYS A 103 -2.881 -11.174 11.465 1.00 0.35 C ATOM 1655 O CYS A 103 -2.072 -10.461 10.905 1.00 0.44 O ATOM 1656 CB CYS A 103 -4.492 -9.311 11.049 1.00 0.32 C ATOM 1657 SG CYS A 103 -4.756 -9.579 9.278 1.00 0.15 S ATOM 0 H CYS A 103 -3.629 -10.489 13.765 1.00 0.16 H new ATOM 0 HA CYS A 103 -5.027 -11.378 11.371 1.00 0.27 H new ATOM 0 HB2 CYS A 103 -5.345 -8.786 11.479 1.00 0.32 H new ATOM 0 HB3 CYS A 103 -3.617 -8.680 11.206 1.00 0.32 H new ATOM 1662 N PRO A 104 -2.612 -12.396 11.864 1.00 0.33 N ATOM 1663 CA PRO A 104 -1.284 -13.005 11.660 1.00 0.43 C ATOM 1664 C PRO A 104 -0.988 -13.142 10.164 1.00 0.53 C ATOM 1665 O PRO A 104 -1.883 -13.152 9.341 1.00 0.56 O ATOM 1666 CB PRO A 104 -1.379 -14.387 12.320 1.00 0.37 C ATOM 1667 CG PRO A 104 -2.811 -14.542 12.889 1.00 0.24 C ATOM 1668 CD PRO A 104 -3.593 -13.264 12.547 1.00 0.22 C ATOM 0 HA PRO A 104 -0.482 -12.403 12.086 1.00 0.43 H new ATOM 0 HB2 PRO A 104 -1.169 -15.172 11.594 1.00 0.37 H new ATOM 0 HB3 PRO A 104 -0.640 -14.482 13.115 1.00 0.37 H new ATOM 0 HG2 PRO A 104 -3.300 -15.416 12.459 1.00 0.24 H new ATOM 0 HG3 PRO A 104 -2.779 -14.693 13.968 1.00 0.24 H new ATOM 0 HD2 PRO A 104 -4.445 -13.482 11.903 1.00 0.22 H new ATOM 0 HD3 PRO A 104 -3.986 -12.788 13.445 1.00 0.22 H new ATOM 1676 N VAL A 105 0.263 -13.246 9.807 1.00 0.64 N ATOM 1677 CA VAL A 105 0.619 -13.382 8.366 1.00 0.74 C ATOM 1678 C VAL A 105 0.730 -14.868 8.011 1.00 0.60 C ATOM 1679 O VAL A 105 0.632 -15.726 8.865 1.00 0.62 O ATOM 1680 CB VAL A 105 1.961 -12.690 8.108 1.00 0.99 C ATOM 1681 CG1 VAL A 105 3.056 -13.384 8.919 1.00 1.06 C ATOM 1682 CG2 VAL A 105 2.307 -12.767 6.619 1.00 1.17 C ATOM 0 H VAL A 105 1.054 -13.243 10.451 1.00 0.64 H new ATOM 0 HA VAL A 105 -0.152 -12.918 7.751 1.00 0.74 H new ATOM 0 HB VAL A 105 1.889 -11.645 8.408 1.00 0.99 H new ATOM 0 HG11 VAL A 105 4.011 -12.892 8.736 1.00 1.06 H new ATOM 0 HG12 VAL A 105 2.815 -13.325 9.980 1.00 1.06 H new ATOM 0 HG13 VAL A 105 3.123 -14.430 8.619 1.00 1.06 H new ATOM 0 HG21 VAL A 105 3.262 -12.273 6.441 1.00 1.17 H new ATOM 0 HG22 VAL A 105 2.376 -13.811 6.315 1.00 1.17 H new ATOM 0 HG23 VAL A 105 1.529 -12.271 6.039 1.00 1.17 H new ATOM 1692 N LYS A 106 0.932 -15.175 6.756 1.00 0.93 N ATOM 1693 CA LYS A 106 1.050 -16.604 6.341 1.00 0.78 C ATOM 1694 C LYS A 106 2.133 -16.735 5.269 1.00 0.65 C ATOM 1695 O LYS A 106 3.311 -16.633 5.549 1.00 0.84 O ATOM 1696 CB LYS A 106 -0.289 -17.082 5.776 1.00 0.74 C ATOM 1697 CG LYS A 106 -0.164 -18.540 5.329 1.00 0.99 C ATOM 1698 CD LYS A 106 -1.406 -19.318 5.773 1.00 1.06 C ATOM 1699 CE LYS A 106 -1.290 -20.770 5.307 1.00 1.22 C ATOM 1700 NZ LYS A 106 -0.293 -21.485 6.153 1.00 2.65 N ATOM 0 H LYS A 106 1.020 -14.496 6.000 1.00 0.93 H new ATOM 0 HA LYS A 106 1.318 -17.213 7.204 1.00 0.78 H new ATOM 0 HB2 LYS A 106 -1.069 -16.988 6.532 1.00 0.74 H new ATOM 0 HB3 LYS A 106 -0.584 -16.456 4.934 1.00 0.74 H new ATOM 0 HG2 LYS A 106 -0.058 -18.592 4.245 1.00 0.99 H new ATOM 0 HG3 LYS A 106 0.732 -18.988 5.759 1.00 0.99 H new ATOM 0 HD2 LYS A 106 -1.504 -19.280 6.858 1.00 1.06 H new ATOM 0 HD3 LYS A 106 -2.303 -18.861 5.355 1.00 1.06 H new ATOM 0 HE2 LYS A 106 -2.260 -21.263 5.374 1.00 1.22 H new ATOM 0 HE3 LYS A 106 -0.986 -20.804 4.261 1.00 1.22 H new ATOM 0 HZ1 LYS A 106 -0.347 -22.506 5.965 1.00 2.65 H new ATOM 0 HZ2 LYS A 106 0.663 -21.141 5.929 1.00 2.65 H new ATOM 0 HZ3 LYS A 106 -0.498 -21.307 7.157 1.00 2.65 H new ATOM 1714 N GLU A 107 1.741 -16.961 4.042 1.00 0.49 N ATOM 1715 CA GLU A 107 2.746 -17.101 2.949 1.00 0.36 C ATOM 1716 C GLU A 107 2.198 -16.464 1.670 1.00 0.43 C ATOM 1717 O GLU A 107 1.142 -15.864 1.666 1.00 0.83 O ATOM 1718 CB GLU A 107 3.025 -18.585 2.698 1.00 0.23 C ATOM 1719 CG GLU A 107 4.097 -19.077 3.673 1.00 0.60 C ATOM 1720 CD GLU A 107 5.457 -18.504 3.270 1.00 1.89 C ATOM 1721 OE1 GLU A 107 5.722 -18.440 2.081 1.00 2.77 O ATOM 1722 OE2 GLU A 107 6.209 -18.136 4.158 1.00 2.58 O ATOM 0 H GLU A 107 0.768 -17.055 3.751 1.00 0.49 H new ATOM 0 HA GLU A 107 3.670 -16.601 3.239 1.00 0.36 H new ATOM 0 HB2 GLU A 107 2.110 -19.164 2.825 1.00 0.23 H new ATOM 0 HB3 GLU A 107 3.357 -18.734 1.671 1.00 0.23 H new ATOM 0 HG2 GLU A 107 3.848 -18.770 4.689 1.00 0.60 H new ATOM 0 HG3 GLU A 107 4.134 -20.166 3.669 1.00 0.60 H new ATOM 1729 N ALA A 108 2.910 -16.590 0.583 1.00 0.18 N ATOM 1730 CA ALA A 108 2.431 -15.993 -0.695 1.00 0.33 C ATOM 1731 C ALA A 108 3.494 -16.186 -1.777 1.00 0.39 C ATOM 1732 O ALA A 108 4.557 -16.719 -1.529 1.00 0.50 O ATOM 1733 CB ALA A 108 2.173 -14.497 -0.494 1.00 0.48 C ATOM 0 H ALA A 108 3.802 -17.081 0.525 1.00 0.18 H new ATOM 0 HA ALA A 108 1.507 -16.483 -1.002 1.00 0.33 H new ATOM 0 HB1 ALA A 108 1.822 -14.059 -1.429 1.00 0.48 H new ATOM 0 HB2 ALA A 108 1.416 -14.359 0.278 1.00 0.48 H new ATOM 0 HB3 ALA A 108 3.097 -14.006 -0.188 1.00 0.48 H new ATOM 1739 N ASP A 109 3.217 -15.757 -2.979 1.00 0.48 N ATOM 1740 CA ASP A 109 4.213 -15.917 -4.076 1.00 0.65 C ATOM 1741 C ASP A 109 5.213 -14.761 -4.029 1.00 0.57 C ATOM 1742 O ASP A 109 6.053 -14.690 -3.154 1.00 0.77 O ATOM 1743 CB ASP A 109 3.491 -15.913 -5.425 1.00 0.81 C ATOM 1744 CG ASP A 109 2.859 -17.285 -5.670 1.00 0.79 C ATOM 1745 OD1 ASP A 109 3.602 -18.247 -5.775 1.00 0.61 O ATOM 1746 OD2 ASP A 109 1.643 -17.349 -5.749 1.00 1.97 O ATOM 0 H ASP A 109 2.344 -15.303 -3.248 1.00 0.48 H new ATOM 0 HA ASP A 109 4.743 -16.861 -3.951 1.00 0.65 H new ATOM 0 HB2 ASP A 109 2.723 -15.140 -5.436 1.00 0.81 H new ATOM 0 HB3 ASP A 109 4.193 -15.676 -6.224 1.00 0.81 H new ATOM 1751 N GLN A 110 5.129 -13.854 -4.963 1.00 0.61 N ATOM 1752 CA GLN A 110 6.076 -12.703 -4.971 1.00 0.52 C ATOM 1753 C GLN A 110 5.631 -11.684 -6.022 1.00 0.43 C ATOM 1754 O GLN A 110 5.112 -12.037 -7.062 1.00 0.48 O ATOM 1755 CB GLN A 110 7.483 -13.202 -5.307 1.00 0.75 C ATOM 1756 CG GLN A 110 8.465 -12.030 -5.264 1.00 1.02 C ATOM 1757 CD GLN A 110 9.898 -12.562 -5.286 1.00 1.21 C ATOM 1758 OE1 GLN A 110 10.425 -12.880 -6.334 1.00 2.24 O ATOM 1759 NE2 GLN A 110 10.557 -12.675 -4.165 1.00 0.74 N ATOM 0 H GLN A 110 4.446 -13.860 -5.721 1.00 0.61 H new ATOM 0 HA GLN A 110 6.083 -12.232 -3.988 1.00 0.52 H new ATOM 0 HB2 GLN A 110 7.787 -13.971 -4.597 1.00 0.75 H new ATOM 0 HB3 GLN A 110 7.491 -13.661 -6.296 1.00 0.75 H new ATOM 0 HG2 GLN A 110 8.298 -11.371 -6.116 1.00 1.02 H new ATOM 0 HG3 GLN A 110 8.300 -11.437 -4.365 1.00 1.02 H new ATOM 0 HE21 GLN A 110 10.116 -12.408 -3.285 1.00 0.74 H new ATOM 0 HE22 GLN A 110 11.513 -13.030 -4.169 1.00 0.74 H new ATOM 1768 N SER A 111 5.831 -10.422 -5.759 1.00 0.35 N ATOM 1769 CA SER A 111 5.419 -9.382 -6.745 1.00 0.27 C ATOM 1770 C SER A 111 6.308 -8.147 -6.584 1.00 0.16 C ATOM 1771 O SER A 111 6.934 -7.950 -5.562 1.00 0.17 O ATOM 1772 CB SER A 111 3.960 -8.996 -6.498 1.00 0.29 C ATOM 1773 OG SER A 111 3.804 -8.591 -5.144 1.00 0.36 O ATOM 0 H SER A 111 6.261 -10.066 -4.906 1.00 0.35 H new ATOM 0 HA SER A 111 5.524 -9.776 -7.756 1.00 0.27 H new ATOM 0 HB2 SER A 111 3.667 -8.187 -7.168 1.00 0.29 H new ATOM 0 HB3 SER A 111 3.307 -9.841 -6.714 1.00 0.29 H new ATOM 0 HG SER A 111 2.859 -8.649 -4.892 1.00 0.36 H new ATOM 1779 N THR A 112 6.366 -7.313 -7.585 1.00 0.21 N ATOM 1780 CA THR A 112 7.214 -6.091 -7.488 1.00 0.16 C ATOM 1781 C THR A 112 6.372 -4.925 -6.966 1.00 0.16 C ATOM 1782 O THR A 112 5.209 -4.793 -7.290 1.00 0.17 O ATOM 1783 CB THR A 112 7.765 -5.741 -8.873 1.00 0.17 C ATOM 1784 OG1 THR A 112 6.780 -6.023 -9.858 1.00 0.09 O ATOM 1785 CG2 THR A 112 9.019 -6.572 -9.150 1.00 0.40 C ATOM 0 H THR A 112 5.863 -7.424 -8.466 1.00 0.21 H new ATOM 0 HA THR A 112 8.041 -6.277 -6.803 1.00 0.16 H new ATOM 0 HB THR A 112 8.020 -4.682 -8.906 1.00 0.17 H new ATOM 0 HG1 THR A 112 7.066 -5.656 -10.721 1.00 0.09 H new ATOM 0 HG21 THR A 112 9.411 -6.322 -10.136 1.00 0.40 H new ATOM 0 HG22 THR A 112 9.774 -6.355 -8.394 1.00 0.40 H new ATOM 0 HG23 THR A 112 8.768 -7.632 -9.117 1.00 0.40 H new ATOM 1793 N LEU A 113 6.949 -4.079 -6.159 1.00 0.18 N ATOM 1794 CA LEU A 113 6.180 -2.923 -5.615 1.00 0.18 C ATOM 1795 C LEU A 113 5.428 -2.233 -6.756 1.00 0.17 C ATOM 1796 O LEU A 113 4.384 -1.644 -6.557 1.00 0.19 O ATOM 1797 CB LEU A 113 7.151 -1.931 -4.964 1.00 0.19 C ATOM 1798 CG LEU A 113 6.371 -0.791 -4.296 1.00 0.17 C ATOM 1799 CD1 LEU A 113 5.509 -1.340 -3.155 1.00 0.29 C ATOM 1800 CD2 LEU A 113 7.359 0.234 -3.733 1.00 0.20 C ATOM 0 H LEU A 113 7.920 -4.137 -5.852 1.00 0.18 H new ATOM 0 HA LEU A 113 5.465 -3.273 -4.870 1.00 0.18 H new ATOM 0 HB2 LEU A 113 7.765 -2.444 -4.224 1.00 0.19 H new ATOM 0 HB3 LEU A 113 7.829 -1.527 -5.716 1.00 0.19 H new ATOM 0 HG LEU A 113 5.725 -0.319 -5.036 1.00 0.17 H new ATOM 0 HD11 LEU A 113 4.960 -0.522 -2.688 1.00 0.29 H new ATOM 0 HD12 LEU A 113 4.804 -2.071 -3.551 1.00 0.29 H new ATOM 0 HD13 LEU A 113 6.149 -1.818 -2.413 1.00 0.29 H new ATOM 0 HD21 LEU A 113 6.809 1.046 -3.257 1.00 0.20 H new ATOM 0 HD22 LEU A 113 8.003 -0.248 -2.998 1.00 0.20 H new ATOM 0 HD23 LEU A 113 7.969 0.634 -4.543 1.00 0.20 H new ATOM 1812 N GLU A 114 5.948 -2.303 -7.951 1.00 0.16 N ATOM 1813 CA GLU A 114 5.261 -1.651 -9.102 1.00 0.16 C ATOM 1814 C GLU A 114 4.004 -2.445 -9.463 1.00 0.13 C ATOM 1815 O GLU A 114 2.897 -2.037 -9.174 1.00 0.13 O ATOM 1816 CB GLU A 114 6.205 -1.613 -10.305 1.00 0.17 C ATOM 1817 CG GLU A 114 5.487 -0.983 -11.499 1.00 0.22 C ATOM 1818 CD GLU A 114 4.778 -2.074 -12.304 1.00 2.26 C ATOM 1819 OE1 GLU A 114 5.466 -2.918 -12.854 1.00 2.84 O ATOM 1820 OE2 GLU A 114 3.560 -2.048 -12.357 1.00 3.52 O ATOM 0 H GLU A 114 6.818 -2.783 -8.180 1.00 0.16 H new ATOM 0 HA GLU A 114 4.981 -0.634 -8.829 1.00 0.16 H new ATOM 0 HB2 GLU A 114 7.099 -1.039 -10.061 1.00 0.17 H new ATOM 0 HB3 GLU A 114 6.532 -2.622 -10.555 1.00 0.17 H new ATOM 0 HG2 GLU A 114 4.764 -0.244 -11.153 1.00 0.22 H new ATOM 0 HG3 GLU A 114 6.203 -0.457 -12.131 1.00 0.22 H new ATOM 1827 N ASN A 115 4.166 -3.576 -10.094 1.00 0.11 N ATOM 1828 CA ASN A 115 2.979 -4.393 -10.473 1.00 0.10 C ATOM 1829 C ASN A 115 2.045 -4.519 -9.268 1.00 0.12 C ATOM 1830 O ASN A 115 0.844 -4.380 -9.383 1.00 0.14 O ATOM 1831 CB ASN A 115 3.437 -5.787 -10.911 1.00 0.09 C ATOM 1832 CG ASN A 115 4.132 -5.691 -12.270 1.00 0.10 C ATOM 1833 OD1 ASN A 115 5.210 -6.220 -12.453 1.00 0.98 O ATOM 1834 ND2 ASN A 115 3.555 -5.035 -13.240 1.00 1.27 N ATOM 0 H ASN A 115 5.068 -3.969 -10.363 1.00 0.11 H new ATOM 0 HA ASN A 115 2.451 -3.910 -11.295 1.00 0.10 H new ATOM 0 HB2 ASN A 115 4.118 -6.207 -10.171 1.00 0.09 H new ATOM 0 HB3 ASN A 115 2.581 -6.459 -10.975 1.00 0.09 H new ATOM 0 HD21 ASN A 115 4.009 -4.967 -14.151 1.00 1.27 H new ATOM 0 HD22 ASN A 115 2.650 -4.590 -13.087 1.00 1.27 H new ATOM 1841 N PHE A 116 2.589 -4.779 -8.111 1.00 0.13 N ATOM 1842 CA PHE A 116 1.736 -4.910 -6.898 1.00 0.16 C ATOM 1843 C PHE A 116 0.826 -3.686 -6.782 1.00 0.17 C ATOM 1844 O PHE A 116 -0.355 -3.799 -6.517 1.00 0.17 O ATOM 1845 CB PHE A 116 2.625 -5.004 -5.656 1.00 0.18 C ATOM 1846 CG PHE A 116 1.765 -4.982 -4.416 1.00 0.21 C ATOM 1847 CD1 PHE A 116 1.291 -3.765 -3.914 1.00 0.31 C ATOM 1848 CD2 PHE A 116 1.443 -6.180 -3.767 1.00 0.16 C ATOM 1849 CE1 PHE A 116 0.494 -3.744 -2.763 1.00 0.34 C ATOM 1850 CE2 PHE A 116 0.645 -6.160 -2.616 1.00 0.19 C ATOM 1851 CZ PHE A 116 0.171 -4.942 -2.114 1.00 0.27 C ATOM 0 H PHE A 116 3.589 -4.906 -7.954 1.00 0.13 H new ATOM 0 HA PHE A 116 1.127 -5.811 -6.977 1.00 0.16 H new ATOM 0 HB2 PHE A 116 3.214 -5.921 -5.686 1.00 0.18 H new ATOM 0 HB3 PHE A 116 3.330 -4.173 -5.637 1.00 0.18 H new ATOM 0 HD1 PHE A 116 1.540 -2.841 -4.415 1.00 0.31 H new ATOM 0 HD2 PHE A 116 1.810 -7.119 -4.154 1.00 0.16 H new ATOM 0 HE1 PHE A 116 0.129 -2.804 -2.376 1.00 0.34 H new ATOM 0 HE2 PHE A 116 0.395 -7.084 -2.116 1.00 0.19 H new ATOM 0 HZ PHE A 116 -0.444 -4.926 -1.226 1.00 0.27 H new ATOM 1861 N LEU A 117 1.366 -2.515 -6.980 1.00 0.19 N ATOM 1862 CA LEU A 117 0.533 -1.283 -6.882 1.00 0.21 C ATOM 1863 C LEU A 117 -0.447 -1.235 -8.056 1.00 0.21 C ATOM 1864 O LEU A 117 -1.452 -0.553 -8.011 1.00 0.23 O ATOM 1865 CB LEU A 117 1.439 -0.050 -6.924 1.00 0.22 C ATOM 1866 CG LEU A 117 1.754 0.406 -5.498 1.00 0.32 C ATOM 1867 CD1 LEU A 117 3.010 1.280 -5.507 1.00 0.24 C ATOM 1868 CD2 LEU A 117 0.579 1.216 -4.943 1.00 0.47 C ATOM 0 H LEU A 117 2.348 -2.358 -7.205 1.00 0.19 H new ATOM 0 HA LEU A 117 -0.023 -1.294 -5.945 1.00 0.21 H new ATOM 0 HB2 LEU A 117 2.362 -0.283 -7.454 1.00 0.22 H new ATOM 0 HB3 LEU A 117 0.950 0.754 -7.474 1.00 0.22 H new ATOM 0 HG LEU A 117 1.920 -0.469 -4.870 1.00 0.32 H new ATOM 0 HD11 LEU A 117 3.234 1.605 -4.491 1.00 0.24 H new ATOM 0 HD12 LEU A 117 3.850 0.706 -5.898 1.00 0.24 H new ATOM 0 HD13 LEU A 117 2.842 2.153 -6.138 1.00 0.24 H new ATOM 0 HD21 LEU A 117 0.807 1.539 -3.927 1.00 0.47 H new ATOM 0 HD22 LEU A 117 0.410 2.090 -5.572 1.00 0.47 H new ATOM 0 HD23 LEU A 117 -0.318 0.597 -4.934 1.00 0.47 H new ATOM 1880 N GLU A 118 -0.163 -1.954 -9.108 1.00 0.20 N ATOM 1881 CA GLU A 118 -1.078 -1.947 -10.284 1.00 0.21 C ATOM 1882 C GLU A 118 -2.323 -2.778 -9.968 1.00 0.21 C ATOM 1883 O GLU A 118 -3.409 -2.255 -9.817 1.00 0.16 O ATOM 1884 CB GLU A 118 -0.358 -2.545 -11.494 1.00 0.20 C ATOM 1885 CG GLU A 118 -1.129 -2.202 -12.770 1.00 0.26 C ATOM 1886 CD GLU A 118 -0.634 -0.863 -13.321 1.00 0.75 C ATOM 1887 OE1 GLU A 118 -1.085 0.159 -12.832 1.00 1.86 O ATOM 1888 OE2 GLU A 118 0.187 -0.883 -14.223 1.00 0.99 O ATOM 0 H GLU A 118 0.663 -2.545 -9.203 1.00 0.20 H new ATOM 0 HA GLU A 118 -1.374 -0.922 -10.508 1.00 0.21 H new ATOM 0 HB2 GLU A 118 0.658 -2.155 -11.555 1.00 0.20 H new ATOM 0 HB3 GLU A 118 -0.278 -3.627 -11.385 1.00 0.20 H new ATOM 0 HG2 GLU A 118 -0.990 -2.987 -13.513 1.00 0.26 H new ATOM 0 HG3 GLU A 118 -2.197 -2.148 -12.559 1.00 0.26 H new ATOM 1895 N ARG A 119 -2.176 -4.072 -9.870 1.00 0.29 N ATOM 1896 CA ARG A 119 -3.352 -4.935 -9.566 1.00 0.30 C ATOM 1897 C ARG A 119 -4.124 -4.347 -8.382 1.00 0.33 C ATOM 1898 O ARG A 119 -5.338 -4.375 -8.347 1.00 0.37 O ATOM 1899 CB ARG A 119 -2.873 -6.345 -9.213 1.00 0.28 C ATOM 1900 CG ARG A 119 -1.984 -6.287 -7.969 1.00 0.30 C ATOM 1901 CD ARG A 119 -0.872 -7.336 -8.072 1.00 0.35 C ATOM 1902 NE ARG A 119 -1.379 -8.558 -8.776 1.00 0.34 N ATOM 1903 CZ ARG A 119 -2.472 -9.161 -8.391 1.00 1.77 C ATOM 1904 NH1 ARG A 119 -3.050 -8.832 -7.268 1.00 3.53 N ATOM 1905 NH2 ARG A 119 -2.959 -10.139 -9.106 1.00 1.82 N ATOM 0 H ARG A 119 -1.292 -4.568 -9.987 1.00 0.29 H new ATOM 0 HA ARG A 119 -4.004 -4.981 -10.438 1.00 0.30 H new ATOM 0 HB2 ARG A 119 -3.728 -6.996 -9.031 1.00 0.28 H new ATOM 0 HB3 ARG A 119 -2.319 -6.772 -10.049 1.00 0.28 H new ATOM 0 HG2 ARG A 119 -1.549 -5.293 -7.868 1.00 0.30 H new ATOM 0 HG3 ARG A 119 -2.582 -6.465 -7.075 1.00 0.30 H new ATOM 0 HD2 ARG A 119 -0.021 -6.923 -8.613 1.00 0.35 H new ATOM 0 HD3 ARG A 119 -0.519 -7.601 -7.076 1.00 0.35 H new ATOM 0 HE ARG A 119 -0.860 -8.927 -9.573 1.00 0.34 H new ATOM 0 HH11 ARG A 119 -2.649 -8.099 -6.683 1.00 3.53 H new ATOM 0 HH12 ARG A 119 -3.903 -9.308 -6.975 1.00 3.53 H new ATOM 0 HH21 ARG A 119 -2.486 -10.430 -9.962 1.00 1.82 H new ATOM 0 HH22 ARG A 119 -3.812 -10.612 -8.809 1.00 1.82 H new ATOM 1919 N LEU A 120 -3.431 -3.811 -7.415 1.00 0.32 N ATOM 1920 CA LEU A 120 -4.129 -3.223 -6.237 1.00 0.36 C ATOM 1921 C LEU A 120 -5.011 -2.063 -6.704 1.00 0.40 C ATOM 1922 O LEU A 120 -6.212 -2.072 -6.522 1.00 0.42 O ATOM 1923 CB LEU A 120 -3.090 -2.708 -5.236 1.00 0.37 C ATOM 1924 CG LEU A 120 -3.721 -2.578 -3.844 1.00 0.40 C ATOM 1925 CD1 LEU A 120 -2.647 -2.168 -2.835 1.00 0.42 C ATOM 1926 CD2 LEU A 120 -4.826 -1.518 -3.866 1.00 0.44 C ATOM 0 H LEU A 120 -2.413 -3.755 -7.390 1.00 0.32 H new ATOM 0 HA LEU A 120 -4.747 -3.982 -5.757 1.00 0.36 H new ATOM 0 HB2 LEU A 120 -2.241 -3.391 -5.197 1.00 0.37 H new ATOM 0 HB3 LEU A 120 -2.707 -1.741 -5.562 1.00 0.37 H new ATOM 0 HG LEU A 120 -4.151 -3.538 -3.557 1.00 0.40 H new ATOM 0 HD11 LEU A 120 -3.094 -2.075 -1.845 1.00 0.42 H new ATOM 0 HD12 LEU A 120 -1.863 -2.925 -2.810 1.00 0.42 H new ATOM 0 HD13 LEU A 120 -2.217 -1.211 -3.130 1.00 0.42 H new ATOM 0 HD21 LEU A 120 -5.268 -1.433 -2.873 1.00 0.44 H new ATOM 0 HD22 LEU A 120 -4.403 -0.557 -4.158 1.00 0.44 H new ATOM 0 HD23 LEU A 120 -5.595 -1.809 -4.582 1.00 0.44 H new ATOM 1938 N LYS A 121 -4.425 -1.065 -7.307 1.00 0.41 N ATOM 1939 CA LYS A 121 -5.232 0.093 -7.786 1.00 0.46 C ATOM 1940 C LYS A 121 -6.457 -0.419 -8.546 1.00 0.44 C ATOM 1941 O LYS A 121 -7.544 0.111 -8.419 1.00 0.46 O ATOM 1942 CB LYS A 121 -4.379 0.958 -8.716 1.00 0.53 C ATOM 1943 CG LYS A 121 -5.097 2.282 -8.986 1.00 0.51 C ATOM 1944 CD LYS A 121 -4.169 3.220 -9.761 1.00 0.21 C ATOM 1945 CE LYS A 121 -3.782 2.571 -11.091 1.00 0.55 C ATOM 1946 NZ LYS A 121 -2.586 1.704 -10.891 1.00 2.02 N ATOM 0 H LYS A 121 -3.423 -1.001 -7.489 1.00 0.41 H new ATOM 0 HA LYS A 121 -5.557 0.688 -6.933 1.00 0.46 H new ATOM 0 HB2 LYS A 121 -3.406 1.146 -8.263 1.00 0.53 H new ATOM 0 HB3 LYS A 121 -4.198 0.433 -9.654 1.00 0.53 H new ATOM 0 HG2 LYS A 121 -6.009 2.103 -9.556 1.00 0.51 H new ATOM 0 HG3 LYS A 121 -5.395 2.744 -8.045 1.00 0.51 H new ATOM 0 HD2 LYS A 121 -4.666 4.174 -9.940 1.00 0.21 H new ATOM 0 HD3 LYS A 121 -3.275 3.432 -9.174 1.00 0.21 H new ATOM 0 HE2 LYS A 121 -4.613 1.979 -11.475 1.00 0.55 H new ATOM 0 HE3 LYS A 121 -3.568 3.339 -11.834 1.00 0.55 H new ATOM 0 HZ1 LYS A 121 -1.883 1.907 -11.630 1.00 2.02 H new ATOM 0 HZ2 LYS A 121 -2.171 1.895 -9.956 1.00 2.02 H new ATOM 0 HZ3 LYS A 121 -2.868 0.705 -10.947 1.00 2.02 H new ATOM 1960 N THR A 122 -6.292 -1.445 -9.334 1.00 0.45 N ATOM 1961 CA THR A 122 -7.448 -1.990 -10.101 1.00 0.46 C ATOM 1962 C THR A 122 -8.501 -2.521 -9.127 1.00 0.40 C ATOM 1963 O THR A 122 -9.653 -2.141 -9.175 1.00 0.35 O ATOM 1964 CB THR A 122 -6.969 -3.128 -11.006 1.00 0.53 C ATOM 1965 OG1 THR A 122 -5.741 -2.759 -11.618 1.00 0.57 O ATOM 1966 CG2 THR A 122 -8.018 -3.400 -12.084 1.00 0.53 C ATOM 0 H THR A 122 -5.407 -1.930 -9.480 1.00 0.45 H new ATOM 0 HA THR A 122 -7.884 -1.200 -10.712 1.00 0.46 H new ATOM 0 HB THR A 122 -6.822 -4.029 -10.411 1.00 0.53 H new ATOM 0 HG1 THR A 122 -5.432 -3.487 -12.196 1.00 0.57 H new ATOM 0 HG21 THR A 122 -7.676 -4.210 -12.728 1.00 0.53 H new ATOM 0 HG22 THR A 122 -8.959 -3.683 -11.613 1.00 0.53 H new ATOM 0 HG23 THR A 122 -8.168 -2.501 -12.681 1.00 0.53 H new ATOM 1974 N ILE A 123 -8.114 -3.399 -8.241 1.00 0.43 N ATOM 1975 CA ILE A 123 -9.094 -3.953 -7.265 1.00 0.41 C ATOM 1976 C ILE A 123 -9.862 -2.804 -6.606 1.00 0.36 C ATOM 1977 O ILE A 123 -11.068 -2.852 -6.466 1.00 0.38 O ATOM 1978 CB ILE A 123 -8.350 -4.749 -6.192 1.00 0.42 C ATOM 1979 CG1 ILE A 123 -7.787 -6.032 -6.810 1.00 0.36 C ATOM 1980 CG2 ILE A 123 -9.316 -5.111 -5.062 1.00 0.46 C ATOM 1981 CD1 ILE A 123 -6.797 -6.675 -5.836 1.00 0.45 C ATOM 0 H ILE A 123 -7.163 -3.756 -8.152 1.00 0.43 H new ATOM 0 HA ILE A 123 -9.794 -4.608 -7.784 1.00 0.41 H new ATOM 0 HB ILE A 123 -7.534 -4.146 -5.793 1.00 0.42 H new ATOM 0 HG12 ILE A 123 -8.597 -6.726 -7.034 1.00 0.36 H new ATOM 0 HG13 ILE A 123 -7.291 -5.806 -7.754 1.00 0.36 H new ATOM 0 HG21 ILE A 123 -8.785 -5.678 -4.297 1.00 0.46 H new ATOM 0 HG22 ILE A 123 -9.720 -4.199 -4.622 1.00 0.46 H new ATOM 0 HG23 ILE A 123 -10.132 -5.714 -5.460 1.00 0.46 H new ATOM 0 HD11 ILE A 123 -6.396 -7.588 -6.275 1.00 0.45 H new ATOM 0 HD12 ILE A 123 -5.981 -5.980 -5.635 1.00 0.45 H new ATOM 0 HD13 ILE A 123 -7.308 -6.915 -4.903 1.00 0.45 H new ATOM 1993 N MET A 124 -9.174 -1.773 -6.203 1.00 0.31 N ATOM 1994 CA MET A 124 -9.865 -0.622 -5.555 1.00 0.31 C ATOM 1995 C MET A 124 -11.018 -0.155 -6.444 1.00 0.31 C ATOM 1996 O MET A 124 -12.160 -0.119 -6.030 1.00 0.29 O ATOM 1997 CB MET A 124 -8.872 0.526 -5.360 1.00 0.39 C ATOM 1998 CG MET A 124 -8.103 0.320 -4.054 1.00 0.41 C ATOM 1999 SD MET A 124 -8.974 1.153 -2.703 1.00 0.85 S ATOM 2000 CE MET A 124 -7.703 0.922 -1.436 1.00 0.24 C ATOM 0 H MET A 124 -8.163 -1.677 -6.294 1.00 0.31 H new ATOM 0 HA MET A 124 -10.256 -0.931 -4.586 1.00 0.31 H new ATOM 0 HB2 MET A 124 -8.179 0.568 -6.200 1.00 0.39 H new ATOM 0 HB3 MET A 124 -9.401 1.479 -5.336 1.00 0.39 H new ATOM 0 HG2 MET A 124 -8.009 -0.744 -3.839 1.00 0.41 H new ATOM 0 HG3 MET A 124 -7.092 0.716 -4.148 1.00 0.41 H new ATOM 0 HE1 MET A 124 -8.037 1.369 -0.500 1.00 0.24 H new ATOM 0 HE2 MET A 124 -7.527 -0.143 -1.287 1.00 0.24 H new ATOM 0 HE3 MET A 124 -6.778 1.401 -1.757 1.00 0.24 H new ATOM 2010 N ARG A 125 -10.730 0.206 -7.665 1.00 0.39 N ATOM 2011 CA ARG A 125 -11.810 0.670 -8.580 1.00 0.42 C ATOM 2012 C ARG A 125 -12.856 -0.434 -8.737 1.00 0.39 C ATOM 2013 O ARG A 125 -13.974 -0.190 -9.145 1.00 0.43 O ATOM 2014 CB ARG A 125 -11.211 1.005 -9.948 1.00 0.49 C ATOM 2015 CG ARG A 125 -10.917 2.505 -10.024 1.00 0.42 C ATOM 2016 CD ARG A 125 -9.870 2.764 -11.108 1.00 0.88 C ATOM 2017 NE ARG A 125 -10.167 4.058 -11.785 1.00 0.82 N ATOM 2018 CZ ARG A 125 -9.260 4.629 -12.529 1.00 1.21 C ATOM 2019 NH1 ARG A 125 -8.091 4.068 -12.679 1.00 1.93 N ATOM 2020 NH2 ARG A 125 -9.520 5.763 -13.121 1.00 1.32 N ATOM 0 H ARG A 125 -9.793 0.199 -8.068 1.00 0.39 H new ATOM 0 HA ARG A 125 -12.282 1.559 -8.163 1.00 0.42 H new ATOM 0 HB2 ARG A 125 -10.295 0.436 -10.105 1.00 0.49 H new ATOM 0 HB3 ARG A 125 -11.903 0.719 -10.740 1.00 0.49 H new ATOM 0 HG2 ARG A 125 -11.831 3.055 -10.247 1.00 0.42 H new ATOM 0 HG3 ARG A 125 -10.556 2.865 -9.061 1.00 0.42 H new ATOM 0 HD2 ARG A 125 -8.874 2.792 -10.667 1.00 0.88 H new ATOM 0 HD3 ARG A 125 -9.874 1.952 -11.835 1.00 0.88 H new ATOM 0 HE ARG A 125 -11.080 4.497 -11.667 1.00 0.82 H new ATOM 0 HH11 ARG A 125 -7.887 3.183 -12.215 1.00 1.93 H new ATOM 0 HH12 ARG A 125 -7.382 4.514 -13.261 1.00 1.93 H new ATOM 0 HH21 ARG A 125 -10.432 6.203 -13.002 1.00 1.32 H new ATOM 0 HH22 ARG A 125 -8.811 6.209 -13.703 1.00 1.32 H new ATOM 2034 N GLU A 126 -12.503 -1.649 -8.417 1.00 0.36 N ATOM 2035 CA GLU A 126 -13.477 -2.768 -8.548 1.00 0.36 C ATOM 2036 C GLU A 126 -14.452 -2.737 -7.368 1.00 0.34 C ATOM 2037 O GLU A 126 -15.645 -2.890 -7.532 1.00 0.44 O ATOM 2038 CB GLU A 126 -12.726 -4.101 -8.554 1.00 0.37 C ATOM 2039 CG GLU A 126 -13.574 -5.163 -9.257 1.00 0.64 C ATOM 2040 CD GLU A 126 -13.022 -6.552 -8.936 1.00 0.95 C ATOM 2041 OE1 GLU A 126 -12.866 -6.850 -7.763 1.00 1.88 O ATOM 2042 OE2 GLU A 126 -12.765 -7.296 -9.868 1.00 1.22 O ATOM 0 H GLU A 126 -11.581 -1.915 -8.070 1.00 0.36 H new ATOM 0 HA GLU A 126 -14.031 -2.659 -9.480 1.00 0.36 H new ATOM 0 HB2 GLU A 126 -11.769 -3.989 -9.064 1.00 0.37 H new ATOM 0 HB3 GLU A 126 -12.508 -4.412 -7.532 1.00 0.37 H new ATOM 0 HG2 GLU A 126 -14.612 -5.089 -8.932 1.00 0.64 H new ATOM 0 HG3 GLU A 126 -13.565 -4.996 -10.334 1.00 0.64 H new ATOM 2049 N LYS A 127 -13.951 -2.540 -6.179 1.00 0.38 N ATOM 2050 CA LYS A 127 -14.849 -2.500 -4.990 1.00 0.42 C ATOM 2051 C LYS A 127 -15.353 -1.070 -4.781 1.00 0.42 C ATOM 2052 O LYS A 127 -16.265 -0.830 -4.016 1.00 0.48 O ATOM 2053 CB LYS A 127 -14.075 -2.955 -3.751 1.00 0.46 C ATOM 2054 CG LYS A 127 -13.430 -4.315 -4.022 1.00 0.49 C ATOM 2055 CD LYS A 127 -12.871 -4.886 -2.718 1.00 0.56 C ATOM 2056 CE LYS A 127 -12.300 -6.281 -2.974 1.00 0.28 C ATOM 2057 NZ LYS A 127 -10.975 -6.405 -2.302 1.00 1.36 N ATOM 0 H LYS A 127 -12.960 -2.405 -5.980 1.00 0.38 H new ATOM 0 HA LYS A 127 -15.698 -3.165 -5.152 1.00 0.42 H new ATOM 0 HB2 LYS A 127 -13.309 -2.222 -3.498 1.00 0.46 H new ATOM 0 HB3 LYS A 127 -14.746 -3.023 -2.895 1.00 0.46 H new ATOM 0 HG2 LYS A 127 -14.165 -5.000 -4.445 1.00 0.49 H new ATOM 0 HG3 LYS A 127 -12.632 -4.210 -4.757 1.00 0.49 H new ATOM 0 HD2 LYS A 127 -12.094 -4.230 -2.325 1.00 0.56 H new ATOM 0 HD3 LYS A 127 -13.657 -4.936 -1.964 1.00 0.56 H new ATOM 0 HE2 LYS A 127 -12.984 -7.041 -2.596 1.00 0.28 H new ATOM 0 HE3 LYS A 127 -12.194 -6.452 -4.045 1.00 0.28 H new ATOM 0 HZ1 LYS A 127 -10.555 -7.328 -2.531 1.00 1.36 H new ATOM 0 HZ2 LYS A 127 -10.346 -5.646 -2.633 1.00 1.36 H new ATOM 0 HZ3 LYS A 127 -11.099 -6.327 -1.272 1.00 1.36 H new ATOM 2071 N TYR A 128 -14.766 -0.119 -5.455 1.00 0.36 N ATOM 2072 CA TYR A 128 -15.212 1.294 -5.293 1.00 0.38 C ATOM 2073 C TYR A 128 -16.569 1.480 -5.974 1.00 0.42 C ATOM 2074 O TYR A 128 -17.000 2.588 -6.227 1.00 0.58 O ATOM 2075 CB TYR A 128 -14.185 2.229 -5.935 1.00 0.28 C ATOM 2076 CG TYR A 128 -14.481 3.654 -5.533 1.00 0.25 C ATOM 2077 CD1 TYR A 128 -14.096 4.119 -4.271 1.00 0.19 C ATOM 2078 CD2 TYR A 128 -15.142 4.509 -6.423 1.00 0.32 C ATOM 2079 CE1 TYR A 128 -14.370 5.441 -3.898 1.00 0.21 C ATOM 2080 CE2 TYR A 128 -15.416 5.830 -6.050 1.00 0.34 C ATOM 2081 CZ TYR A 128 -15.031 6.296 -4.787 1.00 0.30 C ATOM 2082 OH TYR A 128 -15.302 7.598 -4.420 1.00 0.36 O ATOM 0 H TYR A 128 -13.997 -0.259 -6.111 1.00 0.36 H new ATOM 0 HA TYR A 128 -15.303 1.529 -4.232 1.00 0.38 H new ATOM 0 HB2 TYR A 128 -13.179 1.953 -5.620 1.00 0.28 H new ATOM 0 HB3 TYR A 128 -14.217 2.132 -7.020 1.00 0.28 H new ATOM 0 HD1 TYR A 128 -13.587 3.459 -3.584 1.00 0.19 H new ATOM 0 HD2 TYR A 128 -15.440 4.150 -7.397 1.00 0.32 H new ATOM 0 HE1 TYR A 128 -14.071 5.800 -2.924 1.00 0.21 H new ATOM 0 HE2 TYR A 128 -15.925 6.490 -6.737 1.00 0.34 H new ATOM 0 HH TYR A 128 -15.764 8.055 -5.153 1.00 0.36 H new