USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 37:sc= 0.833 USER MOD Set 1.2: A 43 THR OG1 : rot -170:sc= 0.746 USER MOD Set 2.1: A 32 THR OG1 : rot 147:sc= 1.16 USER MOD Set 2.2: A 110 GLN : amide:sc= 0.229 K(o=1.4,f=-8!) USER MOD Set 3.1: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 98:sc= 1 USER MOD Single : A 17 THR OG1 : rot 95:sc= 0.836 USER MOD Single : A 19 ASN : amide:sc= -0.0907 K(o=-0.091,f=-3.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -36:sc= 0.696 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.339 USER MOD Single : A 29 THR OG1 : rot -82:sc= 0.637 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00838 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 59:sc= 0.237 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -169:sc= 0.657 USER MOD Single : A 61 SER OG : rot 80:sc= 0.839 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.57) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.02) USER MOD Single : A 80 HIS : no HD1:sc= -3.08 X(o=-3.1,f=-2.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.25 K(o=-1.2,f=-2) USER MOD Single : A 101 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.093) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0842) USER MOD Single : A 111 SER OG : rot -150:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 115 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.0027) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 82:sc= 0.719 USER MOD Single : A 124 MET CE :methyl 168:sc= -0.0728 (180deg=-0.473) USER MOD Single : A 127 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00121) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.345 5.963 1.282 1.00 0.72 N ATOM 103 CA ASP A 8 -16.229 6.170 2.241 1.00 0.64 C ATOM 104 C ASP A 8 -15.236 7.171 1.653 1.00 0.59 C ATOM 105 O ASP A 8 -14.517 6.872 0.720 1.00 0.65 O ATOM 106 CB ASP A 8 -15.530 4.838 2.501 1.00 0.60 C ATOM 107 CG ASP A 8 -14.962 4.826 3.922 1.00 0.80 C ATOM 108 OD1 ASP A 8 -15.709 4.511 4.834 1.00 1.48 O ATOM 109 OD2 ASP A 8 -13.792 5.134 4.074 1.00 1.25 O ATOM 0 HA ASP A 8 -16.619 6.560 3.181 1.00 0.64 H new ATOM 0 HB2 ASP A 8 -16.233 4.015 2.373 1.00 0.60 H new ATOM 0 HB3 ASP A 8 -14.729 4.688 1.777 1.00 0.60 H new ATOM 114 N ILE A 9 -15.194 8.359 2.187 1.00 0.56 N ATOM 115 CA ILE A 9 -14.252 9.380 1.654 1.00 0.54 C ATOM 116 C ILE A 9 -12.814 8.887 1.818 1.00 0.48 C ATOM 117 O ILE A 9 -11.897 9.419 1.224 1.00 0.51 O ATOM 118 CB ILE A 9 -14.431 10.693 2.418 1.00 0.60 C ATOM 119 CG1 ILE A 9 -13.478 11.745 1.847 1.00 0.64 C ATOM 120 CG2 ILE A 9 -14.116 10.470 3.899 1.00 0.63 C ATOM 121 CD1 ILE A 9 -13.969 13.142 2.230 1.00 0.74 C ATOM 0 H ILE A 9 -15.771 8.667 2.969 1.00 0.56 H new ATOM 0 HA ILE A 9 -14.461 9.545 0.597 1.00 0.54 H new ATOM 0 HB ILE A 9 -15.460 11.037 2.315 1.00 0.60 H new ATOM 0 HG12 ILE A 9 -12.471 11.584 2.231 1.00 0.64 H new ATOM 0 HG13 ILE A 9 -13.425 11.652 0.762 1.00 0.64 H new ATOM 0 HG21 ILE A 9 -14.244 11.406 4.443 1.00 0.63 H new ATOM 0 HG22 ILE A 9 -14.793 9.719 4.306 1.00 0.63 H new ATOM 0 HG23 ILE A 9 -13.087 10.127 4.004 1.00 0.63 H new ATOM 0 HD11 ILE A 9 -13.290 13.891 1.823 1.00 0.74 H new ATOM 0 HD12 ILE A 9 -14.968 13.300 1.825 1.00 0.74 H new ATOM 0 HD13 ILE A 9 -13.999 13.232 3.316 1.00 0.74 H new ATOM 133 N THR A 10 -12.602 7.877 2.618 1.00 0.43 N ATOM 134 CA THR A 10 -11.216 7.369 2.805 1.00 0.40 C ATOM 135 C THR A 10 -10.773 6.641 1.535 1.00 0.36 C ATOM 136 O THR A 10 -9.677 6.831 1.050 1.00 0.38 O ATOM 137 CB THR A 10 -11.162 6.408 3.991 1.00 0.44 C ATOM 138 OG1 THR A 10 -11.999 6.893 5.032 1.00 0.48 O ATOM 139 CG2 THR A 10 -9.721 6.324 4.494 1.00 0.49 C ATOM 0 H THR A 10 -13.324 7.386 3.146 1.00 0.43 H new ATOM 0 HA THR A 10 -10.549 8.208 3.002 1.00 0.40 H new ATOM 0 HB THR A 10 -11.505 5.420 3.683 1.00 0.44 H new ATOM 0 HG1 THR A 10 -12.867 6.439 4.992 1.00 0.48 H new ATOM 0 HG21 THR A 10 -9.671 5.640 5.341 1.00 0.49 H new ATOM 0 HG22 THR A 10 -9.077 5.959 3.694 1.00 0.49 H new ATOM 0 HG23 THR A 10 -9.386 7.313 4.806 1.00 0.49 H new ATOM 147 N LEU A 11 -11.618 5.815 0.987 1.00 0.36 N ATOM 148 CA LEU A 11 -11.242 5.087 -0.257 1.00 0.34 C ATOM 149 C LEU A 11 -10.933 6.106 -1.354 1.00 0.33 C ATOM 150 O LEU A 11 -10.301 5.797 -2.344 1.00 0.31 O ATOM 151 CB LEU A 11 -12.407 4.198 -0.699 1.00 0.39 C ATOM 152 CG LEU A 11 -12.660 3.117 0.361 1.00 0.44 C ATOM 153 CD1 LEU A 11 -13.950 2.362 0.032 1.00 0.50 C ATOM 154 CD2 LEU A 11 -11.489 2.124 0.398 1.00 0.53 C ATOM 0 H LEU A 11 -12.551 5.612 1.345 1.00 0.36 H new ATOM 0 HA LEU A 11 -10.365 4.466 -0.072 1.00 0.34 H new ATOM 0 HB2 LEU A 11 -13.304 4.800 -0.840 1.00 0.39 H new ATOM 0 HB3 LEU A 11 -12.180 3.734 -1.659 1.00 0.39 H new ATOM 0 HG LEU A 11 -12.753 3.598 1.335 1.00 0.44 H new ATOM 0 HD11 LEU A 11 -14.126 1.596 0.787 1.00 0.50 H new ATOM 0 HD12 LEU A 11 -14.787 3.060 0.021 1.00 0.50 H new ATOM 0 HD13 LEU A 11 -13.857 1.892 -0.947 1.00 0.50 H new ATOM 0 HD21 LEU A 11 -11.681 1.363 1.154 1.00 0.53 H new ATOM 0 HD22 LEU A 11 -11.384 1.649 -0.577 1.00 0.53 H new ATOM 0 HD23 LEU A 11 -10.569 2.655 0.644 1.00 0.53 H new ATOM 166 N GLN A 12 -11.379 7.323 -1.183 1.00 0.37 N ATOM 167 CA GLN A 12 -11.116 8.365 -2.215 1.00 0.39 C ATOM 168 C GLN A 12 -9.711 8.939 -2.021 1.00 0.38 C ATOM 169 O GLN A 12 -8.852 8.793 -2.867 1.00 0.38 O ATOM 170 CB GLN A 12 -12.149 9.487 -2.086 1.00 0.46 C ATOM 171 CG GLN A 12 -12.111 10.359 -3.343 1.00 0.50 C ATOM 172 CD GLN A 12 -12.831 11.681 -3.074 1.00 0.91 C ATOM 173 OE1 GLN A 12 -12.207 12.717 -2.973 1.00 1.60 O ATOM 174 NE2 GLN A 12 -14.130 11.688 -2.946 1.00 1.61 N ATOM 0 H GLN A 12 -11.913 7.639 -0.374 1.00 0.37 H new ATOM 0 HA GLN A 12 -11.189 7.917 -3.206 1.00 0.39 H new ATOM 0 HB2 GLN A 12 -13.145 9.066 -1.952 1.00 0.46 H new ATOM 0 HB3 GLN A 12 -11.938 10.092 -1.204 1.00 0.46 H new ATOM 0 HG2 GLN A 12 -11.078 10.549 -3.635 1.00 0.50 H new ATOM 0 HG3 GLN A 12 -12.586 9.837 -4.174 1.00 0.50 H new ATOM 0 HE21 GLN A 12 -14.656 10.818 -3.031 1.00 1.61 H new ATOM 0 HE22 GLN A 12 -14.620 12.564 -2.761 1.00 1.61 H new ATOM 183 N GLU A 13 -9.465 9.594 -0.917 1.00 0.39 N ATOM 184 CA GLU A 13 -8.109 10.171 -0.693 1.00 0.40 C ATOM 185 C GLU A 13 -7.061 9.069 -0.852 1.00 0.34 C ATOM 186 O GLU A 13 -5.911 9.329 -1.139 1.00 0.35 O ATOM 187 CB GLU A 13 -8.018 10.787 0.711 1.00 0.44 C ATOM 188 CG GLU A 13 -8.381 9.752 1.774 1.00 0.46 C ATOM 189 CD GLU A 13 -7.343 9.792 2.898 1.00 1.20 C ATOM 190 OE1 GLU A 13 -6.248 9.298 2.685 1.00 2.01 O ATOM 191 OE2 GLU A 13 -7.661 10.318 3.952 1.00 1.77 O ATOM 0 H GLU A 13 -10.138 9.753 -0.167 1.00 0.39 H new ATOM 0 HA GLU A 13 -7.926 10.956 -1.426 1.00 0.40 H new ATOM 0 HB2 GLU A 13 -7.009 11.159 0.887 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -8.690 11.642 0.783 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -9.374 9.958 2.174 1.00 0.46 H new ATOM 0 HG3 GLU A 13 -8.416 8.757 1.331 1.00 0.46 H new ATOM 198 N ILE A 14 -7.454 7.836 -0.678 1.00 0.31 N ATOM 199 CA ILE A 14 -6.484 6.715 -0.830 1.00 0.29 C ATOM 200 C ILE A 14 -6.177 6.517 -2.315 1.00 0.26 C ATOM 201 O ILE A 14 -5.042 6.600 -2.742 1.00 0.28 O ATOM 202 CB ILE A 14 -7.091 5.429 -0.267 1.00 0.30 C ATOM 203 CG1 ILE A 14 -7.056 5.468 1.263 1.00 0.33 C ATOM 204 CG2 ILE A 14 -6.282 4.226 -0.759 1.00 0.32 C ATOM 205 CD1 ILE A 14 -7.938 4.349 1.819 1.00 0.36 C ATOM 0 H ILE A 14 -8.405 7.557 -0.437 1.00 0.31 H new ATOM 0 HA ILE A 14 -5.568 6.951 -0.288 1.00 0.29 H new ATOM 0 HB ILE A 14 -8.124 5.341 -0.605 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -6.032 5.349 1.618 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -7.408 6.435 1.621 1.00 0.33 H new ATOM 0 HG21 ILE A 14 -6.714 3.309 -0.358 1.00 0.32 H new ATOM 0 HG22 ILE A 14 -6.306 4.193 -1.848 1.00 0.32 H new ATOM 0 HG23 ILE A 14 -5.250 4.319 -0.421 1.00 0.32 H new ATOM 0 HD11 ILE A 14 -7.915 4.375 2.908 1.00 0.36 H new ATOM 0 HD12 ILE A 14 -8.963 4.488 1.475 1.00 0.36 H new ATOM 0 HD13 ILE A 14 -7.566 3.385 1.471 1.00 0.36 H new ATOM 217 N ILE A 15 -7.182 6.258 -3.106 1.00 0.26 N ATOM 218 CA ILE A 15 -6.952 6.055 -4.563 1.00 0.27 C ATOM 219 C ILE A 15 -6.071 7.184 -5.101 1.00 0.27 C ATOM 220 O ILE A 15 -5.092 6.949 -5.781 1.00 0.29 O ATOM 221 CB ILE A 15 -8.293 6.063 -5.297 1.00 0.29 C ATOM 222 CG1 ILE A 15 -9.052 4.771 -4.983 1.00 0.30 C ATOM 223 CG2 ILE A 15 -8.050 6.156 -6.804 1.00 0.36 C ATOM 224 CD1 ILE A 15 -10.506 4.909 -5.439 1.00 0.33 C ATOM 0 H ILE A 15 -8.153 6.178 -2.805 1.00 0.26 H new ATOM 0 HA ILE A 15 -6.456 5.098 -4.723 1.00 0.27 H new ATOM 0 HB ILE A 15 -8.881 6.921 -4.970 1.00 0.29 H new ATOM 0 HG12 ILE A 15 -8.580 3.928 -5.487 1.00 0.30 H new ATOM 0 HG13 ILE A 15 -9.013 4.565 -3.913 1.00 0.30 H new ATOM 0 HG21 ILE A 15 -9.006 6.162 -7.327 1.00 0.36 H new ATOM 0 HG22 ILE A 15 -7.508 7.074 -7.029 1.00 0.36 H new ATOM 0 HG23 ILE A 15 -7.462 5.298 -7.131 1.00 0.36 H new ATOM 0 HD11 ILE A 15 -11.046 3.989 -5.215 1.00 0.33 H new ATOM 0 HD12 ILE A 15 -10.974 5.742 -4.914 1.00 0.33 H new ATOM 0 HD13 ILE A 15 -10.535 5.095 -6.513 1.00 0.33 H new ATOM 236 N LYS A 16 -6.409 8.409 -4.802 1.00 0.29 N ATOM 237 CA LYS A 16 -5.588 9.548 -5.298 1.00 0.31 C ATOM 238 C LYS A 16 -4.161 9.420 -4.756 1.00 0.30 C ATOM 239 O LYS A 16 -3.200 9.704 -5.441 1.00 0.31 O ATOM 240 CB LYS A 16 -6.199 10.871 -4.822 1.00 0.35 C ATOM 241 CG LYS A 16 -6.814 11.617 -6.012 1.00 0.85 C ATOM 242 CD LYS A 16 -7.319 12.990 -5.553 1.00 1.10 C ATOM 243 CE LYS A 16 -8.440 12.819 -4.524 1.00 1.14 C ATOM 244 NZ LYS A 16 -9.339 14.008 -4.572 1.00 1.88 N ATOM 0 H LYS A 16 -7.217 8.669 -4.237 1.00 0.29 H new ATOM 0 HA LYS A 16 -5.568 9.532 -6.388 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -6.962 10.679 -4.068 1.00 0.35 H new ATOM 0 HB3 LYS A 16 -5.433 11.487 -4.351 1.00 0.35 H new ATOM 0 HG2 LYS A 16 -6.072 11.737 -6.802 1.00 0.85 H new ATOM 0 HG3 LYS A 16 -7.636 11.038 -6.432 1.00 0.85 H new ATOM 0 HD2 LYS A 16 -6.499 13.561 -5.118 1.00 1.10 H new ATOM 0 HD3 LYS A 16 -7.684 13.557 -6.409 1.00 1.10 H new ATOM 0 HE2 LYS A 16 -9.007 11.912 -4.734 1.00 1.14 H new ATOM 0 HE3 LYS A 16 -8.018 12.708 -3.525 1.00 1.14 H new ATOM 0 HZ1 LYS A 16 -10.102 13.895 -3.874 1.00 1.88 H new ATOM 0 HZ2 LYS A 16 -8.793 14.865 -4.352 1.00 1.88 H new ATOM 0 HZ3 LYS A 16 -9.750 14.094 -5.523 1.00 1.88 H new ATOM 258 N THR A 17 -4.018 8.994 -3.531 1.00 0.29 N ATOM 259 CA THR A 17 -2.653 8.848 -2.950 1.00 0.30 C ATOM 260 C THR A 17 -1.849 7.848 -3.783 1.00 0.29 C ATOM 261 O THR A 17 -0.703 8.082 -4.116 1.00 0.32 O ATOM 262 CB THR A 17 -2.761 8.341 -1.509 1.00 0.33 C ATOM 263 OG1 THR A 17 -3.585 9.221 -0.759 1.00 0.50 O ATOM 264 CG2 THR A 17 -1.369 8.288 -0.881 1.00 0.37 C ATOM 0 H THR A 17 -4.785 8.741 -2.908 1.00 0.29 H new ATOM 0 HA THR A 17 -2.151 9.815 -2.957 1.00 0.30 H new ATOM 0 HB THR A 17 -3.198 7.343 -1.507 1.00 0.33 H new ATOM 0 HG1 THR A 17 -4.506 8.886 -0.758 1.00 0.50 H new ATOM 0 HG21 THR A 17 -1.446 7.927 0.145 1.00 0.37 H new ATOM 0 HG22 THR A 17 -0.736 7.613 -1.457 1.00 0.37 H new ATOM 0 HG23 THR A 17 -0.931 9.286 -0.882 1.00 0.37 H new ATOM 272 N LEU A 18 -2.438 6.735 -4.124 1.00 0.29 N ATOM 273 CA LEU A 18 -1.707 5.722 -4.936 1.00 0.30 C ATOM 274 C LEU A 18 -1.212 6.369 -6.232 1.00 0.30 C ATOM 275 O LEU A 18 -0.091 6.160 -6.652 1.00 0.33 O ATOM 276 CB LEU A 18 -2.648 4.563 -5.276 1.00 0.32 C ATOM 277 CG LEU A 18 -3.136 3.895 -3.986 1.00 0.38 C ATOM 278 CD1 LEU A 18 -4.131 2.785 -4.333 1.00 0.35 C ATOM 279 CD2 LEU A 18 -1.948 3.289 -3.229 1.00 0.62 C ATOM 0 H LEU A 18 -3.395 6.483 -3.875 1.00 0.29 H new ATOM 0 HA LEU A 18 -0.857 5.346 -4.367 1.00 0.30 H new ATOM 0 HB2 LEU A 18 -3.499 4.930 -5.851 1.00 0.32 H new ATOM 0 HB3 LEU A 18 -2.131 3.834 -5.901 1.00 0.32 H new ATOM 0 HG LEU A 18 -3.620 4.643 -3.358 1.00 0.38 H new ATOM 0 HD11 LEU A 18 -4.479 2.309 -3.416 1.00 0.35 H new ATOM 0 HD12 LEU A 18 -4.981 3.212 -4.866 1.00 0.35 H new ATOM 0 HD13 LEU A 18 -3.643 2.043 -4.964 1.00 0.35 H new ATOM 0 HD21 LEU A 18 -2.303 2.816 -2.313 1.00 0.62 H new ATOM 0 HD22 LEU A 18 -1.459 2.544 -3.856 1.00 0.62 H new ATOM 0 HD23 LEU A 18 -1.236 4.076 -2.979 1.00 0.62 H new ATOM 291 N ASN A 19 -2.039 7.150 -6.870 1.00 0.29 N ATOM 292 CA ASN A 19 -1.616 7.806 -8.140 1.00 0.30 C ATOM 293 C ASN A 19 -0.383 8.676 -7.883 1.00 0.30 C ATOM 294 O ASN A 19 0.559 8.674 -8.650 1.00 0.33 O ATOM 295 CB ASN A 19 -2.758 8.678 -8.668 1.00 0.32 C ATOM 296 CG ASN A 19 -3.868 7.783 -9.220 1.00 0.37 C ATOM 297 OD1 ASN A 19 -3.702 6.583 -9.325 1.00 1.20 O ATOM 298 ND2 ASN A 19 -5.002 8.318 -9.581 1.00 1.10 N ATOM 0 H ASN A 19 -2.990 7.363 -6.567 1.00 0.29 H new ATOM 0 HA ASN A 19 -1.371 7.043 -8.878 1.00 0.30 H new ATOM 0 HB2 ASN A 19 -3.148 9.309 -7.869 1.00 0.32 H new ATOM 0 HB3 ASN A 19 -2.391 9.344 -9.449 1.00 0.32 H new ATOM 0 HD21 ASN A 19 -5.749 7.730 -9.951 1.00 1.10 H new ATOM 0 HD22 ASN A 19 -5.142 9.325 -9.493 1.00 1.10 H new ATOM 305 N SER A 20 -0.380 9.419 -6.811 1.00 0.31 N ATOM 306 CA SER A 20 0.794 10.286 -6.511 1.00 0.33 C ATOM 307 C SER A 20 2.056 9.423 -6.437 1.00 0.32 C ATOM 308 O SER A 20 3.124 9.829 -6.849 1.00 0.36 O ATOM 309 CB SER A 20 0.580 10.991 -5.171 1.00 0.37 C ATOM 310 OG SER A 20 -0.346 12.055 -5.343 1.00 0.53 O ATOM 0 H SER A 20 -1.139 9.463 -6.131 1.00 0.31 H new ATOM 0 HA SER A 20 0.907 11.031 -7.298 1.00 0.33 H new ATOM 0 HB2 SER A 20 0.206 10.284 -4.431 1.00 0.37 H new ATOM 0 HB3 SER A 20 1.528 11.376 -4.794 1.00 0.37 H new ATOM 0 HG SER A 20 -0.487 12.508 -4.485 1.00 0.53 H new ATOM 316 N LEU A 21 1.939 8.234 -5.911 1.00 0.32 N ATOM 317 CA LEU A 21 3.129 7.342 -5.807 1.00 0.36 C ATOM 318 C LEU A 21 3.550 6.885 -7.207 1.00 0.39 C ATOM 319 O LEU A 21 4.715 6.902 -7.550 1.00 0.49 O ATOM 320 CB LEU A 21 2.770 6.120 -4.958 1.00 0.37 C ATOM 321 CG LEU A 21 2.872 6.474 -3.469 1.00 0.36 C ATOM 322 CD1 LEU A 21 2.280 5.337 -2.635 1.00 0.39 C ATOM 323 CD2 LEU A 21 4.340 6.684 -3.064 1.00 0.63 C ATOM 0 H LEU A 21 1.070 7.842 -5.549 1.00 0.32 H new ATOM 0 HA LEU A 21 3.952 7.883 -5.341 1.00 0.36 H new ATOM 0 HB2 LEU A 21 1.759 5.786 -5.193 1.00 0.37 H new ATOM 0 HB3 LEU A 21 3.441 5.294 -5.192 1.00 0.37 H new ATOM 0 HG LEU A 21 2.320 7.397 -3.291 1.00 0.36 H new ATOM 0 HD11 LEU A 21 2.352 5.587 -1.576 1.00 0.39 H new ATOM 0 HD12 LEU A 21 1.233 5.195 -2.904 1.00 0.39 H new ATOM 0 HD13 LEU A 21 2.832 4.418 -2.829 1.00 0.39 H new ATOM 0 HD21 LEU A 21 4.393 6.934 -2.004 1.00 0.63 H new ATOM 0 HD22 LEU A 21 4.903 5.769 -3.249 1.00 0.63 H new ATOM 0 HD23 LEU A 21 4.767 7.498 -3.651 1.00 0.63 H new ATOM 335 N THR A 22 2.612 6.475 -8.016 1.00 0.36 N ATOM 336 CA THR A 22 2.961 6.015 -9.390 1.00 0.44 C ATOM 337 C THR A 22 3.810 7.080 -10.090 1.00 0.51 C ATOM 338 O THR A 22 4.733 6.770 -10.818 1.00 0.70 O ATOM 339 CB THR A 22 1.677 5.780 -10.191 1.00 0.46 C ATOM 340 OG1 THR A 22 0.945 6.995 -10.277 1.00 0.50 O ATOM 341 CG2 THR A 22 0.825 4.717 -9.496 1.00 0.50 C ATOM 0 H THR A 22 1.619 6.439 -7.785 1.00 0.36 H new ATOM 0 HA THR A 22 3.527 5.086 -9.326 1.00 0.44 H new ATOM 0 HB THR A 22 1.933 5.437 -11.194 1.00 0.46 H new ATOM 0 HG1 THR A 22 1.036 7.492 -9.437 1.00 0.50 H new ATOM 0 HG21 THR A 22 -0.088 4.552 -10.068 1.00 0.50 H new ATOM 0 HG22 THR A 22 1.387 3.785 -9.432 1.00 0.50 H new ATOM 0 HG23 THR A 22 0.568 5.056 -8.492 1.00 0.50 H new ATOM 349 N GLU A 23 3.507 8.332 -9.878 1.00 0.45 N ATOM 350 CA GLU A 23 4.299 9.410 -10.536 1.00 0.52 C ATOM 351 C GLU A 23 5.746 9.358 -10.041 1.00 0.51 C ATOM 352 O GLU A 23 6.668 9.703 -10.754 1.00 0.57 O ATOM 353 CB GLU A 23 3.693 10.774 -10.193 1.00 0.56 C ATOM 354 CG GLU A 23 2.269 10.866 -10.749 1.00 0.76 C ATOM 355 CD GLU A 23 1.914 12.333 -11.003 1.00 1.18 C ATOM 356 OE1 GLU A 23 2.726 13.022 -11.598 1.00 1.78 O ATOM 357 OE2 GLU A 23 0.838 12.740 -10.600 1.00 1.85 O ATOM 0 H GLU A 23 2.747 8.654 -9.279 1.00 0.45 H new ATOM 0 HA GLU A 23 4.279 9.264 -11.616 1.00 0.52 H new ATOM 0 HB2 GLU A 23 3.681 10.915 -9.112 1.00 0.56 H new ATOM 0 HB3 GLU A 23 4.308 11.571 -10.611 1.00 0.56 H new ATOM 0 HG2 GLU A 23 2.191 10.296 -11.675 1.00 0.76 H new ATOM 0 HG3 GLU A 23 1.563 10.427 -10.044 1.00 0.76 H new ATOM 364 N GLN A 24 5.954 8.928 -8.828 1.00 0.46 N ATOM 365 CA GLN A 24 7.342 8.855 -8.291 1.00 0.47 C ATOM 366 C GLN A 24 7.919 7.463 -8.562 1.00 0.45 C ATOM 367 O GLN A 24 7.241 6.465 -8.425 1.00 0.47 O ATOM 368 CB GLN A 24 7.322 9.117 -6.784 1.00 0.49 C ATOM 369 CG GLN A 24 6.716 10.496 -6.515 1.00 0.77 C ATOM 370 CD GLN A 24 7.544 11.220 -5.452 1.00 1.15 C ATOM 371 OE1 GLN A 24 7.456 10.910 -4.281 1.00 1.78 O ATOM 372 NE2 GLN A 24 8.352 12.179 -5.814 1.00 1.90 N ATOM 0 H GLN A 24 5.223 8.624 -8.185 1.00 0.46 H new ATOM 0 HA GLN A 24 7.962 9.607 -8.780 1.00 0.47 H new ATOM 0 HB2 GLN A 24 6.740 8.347 -6.278 1.00 0.49 H new ATOM 0 HB3 GLN A 24 8.334 9.068 -6.382 1.00 0.49 H new ATOM 0 HG2 GLN A 24 6.694 11.081 -7.435 1.00 0.77 H new ATOM 0 HG3 GLN A 24 5.684 10.392 -6.179 1.00 0.77 H new ATOM 0 HE21 GLN A 24 8.426 12.439 -6.797 1.00 1.90 H new ATOM 0 HE22 GLN A 24 8.909 12.668 -5.114 1.00 1.90 H new ATOM 381 N LYS A 25 9.166 7.391 -8.950 1.00 0.47 N ATOM 382 CA LYS A 25 9.786 6.064 -9.234 1.00 0.47 C ATOM 383 C LYS A 25 11.244 6.066 -8.767 1.00 0.49 C ATOM 384 O LYS A 25 12.093 6.703 -9.359 1.00 0.93 O ATOM 385 CB LYS A 25 9.738 5.791 -10.739 1.00 0.55 C ATOM 386 CG LYS A 25 8.282 5.763 -11.210 1.00 0.69 C ATOM 387 CD LYS A 25 8.233 5.400 -12.695 1.00 1.06 C ATOM 388 CE LYS A 25 7.142 6.223 -13.386 1.00 1.36 C ATOM 389 NZ LYS A 25 6.780 5.580 -14.680 1.00 1.98 N ATOM 0 H LYS A 25 9.781 8.194 -9.082 1.00 0.47 H new ATOM 0 HA LYS A 25 9.235 5.288 -8.702 1.00 0.47 H new ATOM 0 HB2 LYS A 25 10.290 6.562 -11.276 1.00 0.55 H new ATOM 0 HB3 LYS A 25 10.221 4.840 -10.962 1.00 0.55 H new ATOM 0 HG2 LYS A 25 7.714 5.037 -10.628 1.00 0.69 H new ATOM 0 HG3 LYS A 25 7.817 6.735 -11.047 1.00 0.69 H new ATOM 0 HD2 LYS A 25 9.200 5.594 -13.160 1.00 1.06 H new ATOM 0 HD3 LYS A 25 8.031 4.336 -12.814 1.00 1.06 H new ATOM 0 HE2 LYS A 25 6.264 6.294 -12.744 1.00 1.36 H new ATOM 0 HE3 LYS A 25 7.493 7.240 -13.559 1.00 1.36 H new ATOM 0 HZ1 LYS A 25 6.039 6.138 -15.150 1.00 1.98 H new ATOM 0 HZ2 LYS A 25 7.620 5.534 -15.292 1.00 1.98 H new ATOM 0 HZ3 LYS A 25 6.428 4.617 -14.503 1.00 1.98 H new ATOM 403 N THR A 26 11.534 5.349 -7.710 1.00 0.26 N ATOM 404 CA THR A 26 12.934 5.287 -7.188 1.00 0.29 C ATOM 405 C THR A 26 13.462 3.861 -7.357 1.00 0.28 C ATOM 406 O THR A 26 12.757 2.980 -7.807 1.00 0.34 O ATOM 407 CB THR A 26 12.940 5.654 -5.701 1.00 0.33 C ATOM 408 OG1 THR A 26 12.312 4.618 -4.958 1.00 0.40 O ATOM 409 CG2 THR A 26 12.183 6.968 -5.487 1.00 0.34 C ATOM 0 H THR A 26 10.856 4.800 -7.182 1.00 0.26 H new ATOM 0 HA THR A 26 13.565 5.986 -7.737 1.00 0.29 H new ATOM 0 HB THR A 26 13.969 5.775 -5.363 1.00 0.33 H new ATOM 0 HG1 THR A 26 12.028 4.966 -4.087 1.00 0.40 H new ATOM 0 HG21 THR A 26 12.191 7.224 -4.427 1.00 0.34 H new ATOM 0 HG22 THR A 26 12.666 7.763 -6.056 1.00 0.34 H new ATOM 0 HG23 THR A 26 11.153 6.854 -5.825 1.00 0.34 H new ATOM 417 N LEU A 27 14.693 3.618 -6.996 1.00 0.30 N ATOM 418 CA LEU A 27 15.240 2.239 -7.138 1.00 0.31 C ATOM 419 C LEU A 27 14.555 1.331 -6.115 1.00 0.29 C ATOM 420 O LEU A 27 14.669 0.122 -6.163 1.00 0.33 O ATOM 421 CB LEU A 27 16.757 2.252 -6.904 1.00 0.38 C ATOM 422 CG LEU A 27 17.067 2.494 -5.423 1.00 0.47 C ATOM 423 CD1 LEU A 27 17.401 1.163 -4.737 1.00 0.69 C ATOM 424 CD2 LEU A 27 18.272 3.432 -5.313 1.00 0.42 C ATOM 0 H LEU A 27 15.338 4.308 -6.612 1.00 0.30 H new ATOM 0 HA LEU A 27 15.050 1.865 -8.144 1.00 0.31 H new ATOM 0 HB2 LEU A 27 17.189 1.303 -7.222 1.00 0.38 H new ATOM 0 HB3 LEU A 27 17.218 3.031 -7.511 1.00 0.38 H new ATOM 0 HG LEU A 27 16.199 2.941 -4.939 1.00 0.47 H new ATOM 0 HD11 LEU A 27 17.621 1.341 -3.684 1.00 0.69 H new ATOM 0 HD12 LEU A 27 16.550 0.487 -4.821 1.00 0.69 H new ATOM 0 HD13 LEU A 27 18.270 0.714 -5.218 1.00 0.69 H new ATOM 0 HD21 LEU A 27 18.500 3.610 -4.262 1.00 0.42 H new ATOM 0 HD22 LEU A 27 19.134 2.975 -5.799 1.00 0.42 H new ATOM 0 HD23 LEU A 27 18.041 4.380 -5.800 1.00 0.42 H new ATOM 436 N CYS A 28 13.837 1.912 -5.192 1.00 0.28 N ATOM 437 CA CYS A 28 13.132 1.099 -4.163 1.00 0.29 C ATOM 438 C CYS A 28 12.067 0.232 -4.839 1.00 0.33 C ATOM 439 O CYS A 28 11.463 -0.622 -4.220 1.00 0.38 O ATOM 440 CB CYS A 28 12.460 2.036 -3.156 1.00 0.29 C ATOM 441 SG CYS A 28 12.810 1.476 -1.471 1.00 0.30 S ATOM 0 H CYS A 28 13.709 2.920 -5.107 1.00 0.28 H new ATOM 0 HA CYS A 28 13.848 0.458 -3.649 1.00 0.29 H new ATOM 0 HB2 CYS A 28 12.824 3.054 -3.294 1.00 0.29 H new ATOM 0 HB3 CYS A 28 11.384 2.056 -3.326 1.00 0.29 H new ATOM 446 N THR A 29 11.829 0.447 -6.104 1.00 0.35 N ATOM 447 CA THR A 29 10.799 -0.363 -6.816 1.00 0.40 C ATOM 448 C THR A 29 11.394 -1.713 -7.222 1.00 0.43 C ATOM 449 O THR A 29 10.704 -2.711 -7.282 1.00 0.62 O ATOM 450 CB THR A 29 10.333 0.388 -8.067 1.00 0.47 C ATOM 451 OG1 THR A 29 11.443 0.608 -8.925 1.00 0.53 O ATOM 452 CG2 THR A 29 9.721 1.732 -7.666 1.00 0.47 C ATOM 0 H THR A 29 12.302 1.147 -6.675 1.00 0.35 H new ATOM 0 HA THR A 29 9.949 -0.529 -6.153 1.00 0.40 H new ATOM 0 HB THR A 29 9.582 -0.207 -8.587 1.00 0.47 H new ATOM 0 HG1 THR A 29 11.942 1.394 -8.619 1.00 0.53 H new ATOM 0 HG21 THR A 29 9.391 2.263 -8.559 1.00 0.47 H new ATOM 0 HG22 THR A 29 8.868 1.562 -7.009 1.00 0.47 H new ATOM 0 HG23 THR A 29 10.467 2.330 -7.144 1.00 0.47 H new ATOM 460 N GLU A 30 12.668 -1.755 -7.500 1.00 0.37 N ATOM 461 CA GLU A 30 13.300 -3.044 -7.901 1.00 0.40 C ATOM 462 C GLU A 30 13.163 -4.054 -6.760 1.00 0.36 C ATOM 463 O GLU A 30 13.423 -5.230 -6.925 1.00 0.47 O ATOM 464 CB GLU A 30 14.784 -2.816 -8.203 1.00 0.45 C ATOM 465 CG GLU A 30 14.933 -1.939 -9.449 1.00 0.78 C ATOM 466 CD GLU A 30 15.764 -2.682 -10.498 1.00 1.40 C ATOM 467 OE1 GLU A 30 16.962 -2.797 -10.303 1.00 2.15 O ATOM 468 OE2 GLU A 30 15.187 -3.124 -11.478 1.00 2.04 O ATOM 0 H GLU A 30 13.298 -0.954 -7.467 1.00 0.37 H new ATOM 0 HA GLU A 30 12.804 -3.429 -8.792 1.00 0.40 H new ATOM 0 HB2 GLU A 30 15.268 -2.338 -7.351 1.00 0.45 H new ATOM 0 HB3 GLU A 30 15.284 -3.772 -8.359 1.00 0.45 H new ATOM 0 HG2 GLU A 30 13.951 -1.694 -9.854 1.00 0.78 H new ATOM 0 HG3 GLU A 30 15.415 -0.997 -9.188 1.00 0.78 H new ATOM 475 N LEU A 31 12.758 -3.606 -5.603 1.00 0.31 N ATOM 476 CA LEU A 31 12.606 -4.542 -4.453 1.00 0.29 C ATOM 477 C LEU A 31 11.369 -5.417 -4.666 1.00 0.31 C ATOM 478 O LEU A 31 10.370 -4.976 -5.198 1.00 0.70 O ATOM 479 CB LEU A 31 12.446 -3.741 -3.160 1.00 0.28 C ATOM 480 CG LEU A 31 13.563 -2.701 -3.061 1.00 0.28 C ATOM 481 CD1 LEU A 31 13.419 -1.920 -1.754 1.00 0.36 C ATOM 482 CD2 LEU A 31 14.921 -3.408 -3.084 1.00 0.34 C ATOM 0 H LEU A 31 12.526 -2.633 -5.404 1.00 0.31 H new ATOM 0 HA LEU A 31 13.491 -5.175 -4.382 1.00 0.29 H new ATOM 0 HB2 LEU A 31 11.474 -3.248 -3.143 1.00 0.28 H new ATOM 0 HB3 LEU A 31 12.480 -4.409 -2.299 1.00 0.28 H new ATOM 0 HG LEU A 31 13.495 -2.014 -3.905 1.00 0.28 H new ATOM 0 HD11 LEU A 31 14.215 -1.179 -1.683 1.00 0.36 H new ATOM 0 HD12 LEU A 31 12.452 -1.417 -1.735 1.00 0.36 H new ATOM 0 HD13 LEU A 31 13.487 -2.607 -0.910 1.00 0.36 H new ATOM 0 HD21 LEU A 31 15.718 -2.668 -3.014 1.00 0.34 H new ATOM 0 HD22 LEU A 31 14.988 -4.095 -2.240 1.00 0.34 H new ATOM 0 HD23 LEU A 31 15.025 -3.966 -4.015 1.00 0.34 H new ATOM 494 N THR A 32 11.431 -6.656 -4.250 1.00 0.30 N ATOM 495 CA THR A 32 10.264 -7.569 -4.421 1.00 0.25 C ATOM 496 C THR A 32 9.514 -7.692 -3.092 1.00 0.26 C ATOM 497 O THR A 32 10.074 -8.078 -2.087 1.00 0.34 O ATOM 498 CB THR A 32 10.762 -8.951 -4.852 1.00 0.30 C ATOM 499 OG1 THR A 32 11.771 -9.390 -3.952 1.00 0.46 O ATOM 500 CG2 THR A 32 11.338 -8.868 -6.267 1.00 0.38 C ATOM 0 H THR A 32 12.244 -7.075 -3.798 1.00 0.30 H new ATOM 0 HA THR A 32 9.594 -7.167 -5.181 1.00 0.25 H new ATOM 0 HB THR A 32 9.932 -9.658 -4.841 1.00 0.30 H new ATOM 0 HG1 THR A 32 11.722 -10.364 -3.855 1.00 0.46 H new ATOM 0 HG21 THR A 32 11.693 -9.852 -6.574 1.00 0.38 H new ATOM 0 HG22 THR A 32 10.564 -8.530 -6.956 1.00 0.38 H new ATOM 0 HG23 THR A 32 12.169 -8.162 -6.281 1.00 0.38 H new ATOM 508 N VAL A 33 8.248 -7.366 -3.083 1.00 0.27 N ATOM 509 CA VAL A 33 7.459 -7.462 -1.820 1.00 0.31 C ATOM 510 C VAL A 33 6.703 -8.792 -1.788 1.00 0.27 C ATOM 511 O VAL A 33 6.759 -9.573 -2.717 1.00 0.33 O ATOM 512 CB VAL A 33 6.460 -6.307 -1.757 1.00 0.39 C ATOM 513 CG1 VAL A 33 7.162 -5.004 -2.142 1.00 0.43 C ATOM 514 CG2 VAL A 33 5.311 -6.573 -2.734 1.00 0.43 C ATOM 0 H VAL A 33 7.727 -7.037 -3.896 1.00 0.27 H new ATOM 0 HA VAL A 33 8.133 -7.408 -0.965 1.00 0.31 H new ATOM 0 HB VAL A 33 6.066 -6.223 -0.744 1.00 0.39 H new ATOM 0 HG11 VAL A 33 6.450 -4.180 -2.097 1.00 0.43 H new ATOM 0 HG12 VAL A 33 7.981 -4.814 -1.449 1.00 0.43 H new ATOM 0 HG13 VAL A 33 7.556 -5.088 -3.155 1.00 0.43 H new ATOM 0 HG21 VAL A 33 4.598 -5.750 -2.690 1.00 0.43 H new ATOM 0 HG22 VAL A 33 5.706 -6.657 -3.746 1.00 0.43 H new ATOM 0 HG23 VAL A 33 4.810 -7.502 -2.462 1.00 0.43 H new ATOM 524 N THR A 34 5.996 -9.055 -0.724 1.00 0.31 N ATOM 525 CA THR A 34 5.236 -10.333 -0.628 1.00 0.29 C ATOM 526 C THR A 34 3.849 -10.153 -1.249 1.00 0.30 C ATOM 527 O THR A 34 3.117 -9.248 -0.903 1.00 0.47 O ATOM 528 CB THR A 34 5.087 -10.728 0.844 1.00 0.32 C ATOM 529 OG1 THR A 34 6.373 -10.948 1.406 1.00 0.45 O ATOM 530 CG2 THR A 34 4.256 -12.008 0.950 1.00 0.38 C ATOM 0 H THR A 34 5.912 -8.439 0.085 1.00 0.31 H new ATOM 0 HA THR A 34 5.774 -11.115 -1.163 1.00 0.29 H new ATOM 0 HB THR A 34 4.585 -9.927 1.386 1.00 0.32 H new ATOM 0 HG1 THR A 34 6.279 -11.199 2.349 1.00 0.45 H new ATOM 0 HG21 THR A 34 4.151 -12.288 1.998 1.00 0.38 H new ATOM 0 HG22 THR A 34 3.269 -11.838 0.519 1.00 0.38 H new ATOM 0 HG23 THR A 34 4.755 -12.812 0.408 1.00 0.38 H new ATOM 538 N ASP A 35 3.482 -11.010 -2.163 1.00 0.28 N ATOM 539 CA ASP A 35 2.141 -10.888 -2.802 1.00 0.29 C ATOM 540 C ASP A 35 1.070 -11.370 -1.822 1.00 0.33 C ATOM 541 O ASP A 35 1.330 -12.194 -0.967 1.00 0.75 O ATOM 542 CB ASP A 35 2.101 -11.748 -4.069 1.00 0.34 C ATOM 543 CG ASP A 35 0.896 -11.346 -4.921 1.00 0.38 C ATOM 544 OD1 ASP A 35 -0.044 -10.801 -4.364 1.00 1.22 O ATOM 545 OD2 ASP A 35 0.931 -11.591 -6.115 1.00 1.06 O ATOM 0 H ASP A 35 4.052 -11.788 -2.494 1.00 0.28 H new ATOM 0 HA ASP A 35 1.953 -9.847 -3.065 1.00 0.29 H new ATOM 0 HB2 ASP A 35 3.022 -11.619 -4.638 1.00 0.34 H new ATOM 0 HB3 ASP A 35 2.036 -12.803 -3.803 1.00 0.34 H new ATOM 550 N ILE A 36 -0.131 -10.858 -1.941 1.00 0.31 N ATOM 551 CA ILE A 36 -1.231 -11.277 -1.019 1.00 0.28 C ATOM 552 C ILE A 36 -2.411 -11.809 -1.837 1.00 0.29 C ATOM 553 O ILE A 36 -3.173 -12.636 -1.379 1.00 0.34 O ATOM 554 CB ILE A 36 -1.677 -10.073 -0.182 1.00 0.28 C ATOM 555 CG1 ILE A 36 -2.079 -8.911 -1.105 1.00 0.36 C ATOM 556 CG2 ILE A 36 -0.518 -9.630 0.714 1.00 0.42 C ATOM 557 CD1 ILE A 36 -2.739 -7.798 -0.283 1.00 0.38 C ATOM 0 H ILE A 36 -0.397 -10.165 -2.640 1.00 0.31 H new ATOM 0 HA ILE A 36 -0.874 -12.065 -0.356 1.00 0.28 H new ATOM 0 HB ILE A 36 -2.534 -10.356 0.429 1.00 0.28 H new ATOM 0 HG12 ILE A 36 -1.200 -8.523 -1.620 1.00 0.36 H new ATOM 0 HG13 ILE A 36 -2.767 -9.266 -1.872 1.00 0.36 H new ATOM 0 HG21 ILE A 36 -0.828 -8.773 1.313 1.00 0.42 H new ATOM 0 HG22 ILE A 36 -0.234 -10.450 1.373 1.00 0.42 H new ATOM 0 HG23 ILE A 36 0.334 -9.351 0.095 1.00 0.42 H new ATOM 0 HD11 ILE A 36 -3.022 -6.977 -0.942 1.00 0.38 H new ATOM 0 HD12 ILE A 36 -3.628 -8.189 0.211 1.00 0.38 H new ATOM 0 HD13 ILE A 36 -2.037 -7.435 0.468 1.00 0.38 H new ATOM 569 N PHE A 37 -2.566 -11.341 -3.045 1.00 0.32 N ATOM 570 CA PHE A 37 -3.695 -11.819 -3.890 1.00 0.39 C ATOM 571 C PHE A 37 -3.328 -13.167 -4.514 1.00 0.47 C ATOM 572 O PHE A 37 -4.132 -13.797 -5.171 1.00 0.56 O ATOM 573 CB PHE A 37 -3.969 -10.801 -4.999 1.00 0.43 C ATOM 574 CG PHE A 37 -4.039 -9.416 -4.403 1.00 0.36 C ATOM 575 CD1 PHE A 37 -5.188 -9.005 -3.717 1.00 0.40 C ATOM 576 CD2 PHE A 37 -2.953 -8.541 -4.537 1.00 0.33 C ATOM 577 CE1 PHE A 37 -5.251 -7.720 -3.164 1.00 0.42 C ATOM 578 CE2 PHE A 37 -3.017 -7.256 -3.985 1.00 0.34 C ATOM 579 CZ PHE A 37 -4.166 -6.847 -3.298 1.00 0.40 C ATOM 0 H PHE A 37 -1.959 -10.648 -3.483 1.00 0.32 H new ATOM 0 HA PHE A 37 -4.587 -11.934 -3.274 1.00 0.39 H new ATOM 0 HB2 PHE A 37 -3.181 -10.846 -5.751 1.00 0.43 H new ATOM 0 HB3 PHE A 37 -4.905 -11.039 -5.503 1.00 0.43 H new ATOM 0 HD1 PHE A 37 -6.026 -9.679 -3.614 1.00 0.40 H new ATOM 0 HD2 PHE A 37 -2.066 -8.858 -5.066 1.00 0.33 H new ATOM 0 HE1 PHE A 37 -6.137 -7.403 -2.634 1.00 0.42 H new ATOM 0 HE2 PHE A 37 -2.181 -6.581 -4.089 1.00 0.34 H new ATOM 0 HZ PHE A 37 -4.215 -5.856 -2.871 1.00 0.40 H new ATOM 589 N ALA A 38 -2.119 -13.613 -4.311 1.00 0.49 N ATOM 590 CA ALA A 38 -1.700 -14.920 -4.891 1.00 0.59 C ATOM 591 C ALA A 38 -2.154 -16.055 -3.969 1.00 0.55 C ATOM 592 O ALA A 38 -1.789 -17.198 -4.153 1.00 0.66 O ATOM 593 CB ALA A 38 -0.177 -14.953 -5.028 1.00 0.69 C ATOM 0 H ALA A 38 -1.403 -13.129 -3.769 1.00 0.49 H new ATOM 0 HA ALA A 38 -2.155 -15.045 -5.873 1.00 0.59 H new ATOM 0 HB1 ALA A 38 0.130 -15.909 -5.452 1.00 0.69 H new ATOM 0 HB2 ALA A 38 0.147 -14.145 -5.683 1.00 0.69 H new ATOM 0 HB3 ALA A 38 0.279 -14.829 -4.046 1.00 0.69 H new ATOM 599 N ALA A 39 -2.946 -15.747 -2.980 1.00 0.46 N ATOM 600 CA ALA A 39 -3.420 -16.810 -2.049 1.00 0.51 C ATOM 601 C ALA A 39 -4.709 -16.351 -1.362 1.00 0.51 C ATOM 602 O ALA A 39 -4.883 -16.526 -0.172 1.00 0.81 O ATOM 603 CB ALA A 39 -2.347 -17.078 -0.992 1.00 0.65 C ATOM 0 H ALA A 39 -3.285 -14.807 -2.776 1.00 0.46 H new ATOM 0 HA ALA A 39 -3.614 -17.724 -2.611 1.00 0.51 H new ATOM 0 HB1 ALA A 39 -2.693 -17.855 -0.311 1.00 0.65 H new ATOM 0 HB2 ALA A 39 -1.429 -17.406 -1.480 1.00 0.65 H new ATOM 0 HB3 ALA A 39 -2.153 -16.164 -0.431 1.00 0.65 H new ATOM 609 N SER A 40 -5.612 -15.767 -2.105 1.00 0.56 N ATOM 610 CA SER A 40 -6.893 -15.297 -1.503 1.00 0.62 C ATOM 611 C SER A 40 -7.993 -16.323 -1.781 1.00 0.63 C ATOM 612 O SER A 40 -8.345 -16.572 -2.917 1.00 0.91 O ATOM 613 CB SER A 40 -7.283 -13.954 -2.122 1.00 0.80 C ATOM 614 OG SER A 40 -8.450 -13.462 -1.477 1.00 1.60 O ATOM 0 H SER A 40 -5.517 -15.595 -3.106 1.00 0.56 H new ATOM 0 HA SER A 40 -6.768 -15.180 -0.427 1.00 0.62 H new ATOM 0 HB2 SER A 40 -6.466 -13.240 -2.015 1.00 0.80 H new ATOM 0 HB3 SER A 40 -7.466 -14.072 -3.190 1.00 0.80 H new ATOM 0 HG SER A 40 -8.418 -13.690 -0.524 1.00 1.60 H new ATOM 620 N LYS A 41 -8.535 -16.917 -0.748 1.00 0.65 N ATOM 621 CA LYS A 41 -9.614 -17.934 -0.933 1.00 0.73 C ATOM 622 C LYS A 41 -10.791 -17.594 -0.015 1.00 0.70 C ATOM 623 O LYS A 41 -11.757 -16.989 -0.434 1.00 0.98 O ATOM 624 CB LYS A 41 -9.064 -19.322 -0.587 1.00 0.88 C ATOM 625 CG LYS A 41 -8.009 -19.708 -1.627 1.00 1.09 C ATOM 626 CD LYS A 41 -7.319 -21.020 -1.219 1.00 1.25 C ATOM 627 CE LYS A 41 -5.798 -20.832 -1.201 1.00 1.83 C ATOM 628 NZ LYS A 41 -5.132 -22.166 -1.195 1.00 2.56 N ATOM 0 H LYS A 41 -8.274 -16.740 0.222 1.00 0.65 H new ATOM 0 HA LYS A 41 -9.955 -17.931 -1.968 1.00 0.73 H new ATOM 0 HB2 LYS A 41 -8.626 -19.316 0.411 1.00 0.88 H new ATOM 0 HB3 LYS A 41 -9.870 -20.056 -0.577 1.00 0.88 H new ATOM 0 HG2 LYS A 41 -8.476 -19.823 -2.605 1.00 1.09 H new ATOM 0 HG3 LYS A 41 -7.269 -18.912 -1.719 1.00 1.09 H new ATOM 0 HD2 LYS A 41 -7.666 -21.332 -0.234 1.00 1.25 H new ATOM 0 HD3 LYS A 41 -7.587 -21.813 -1.917 1.00 1.25 H new ATOM 0 HE2 LYS A 41 -5.481 -20.260 -2.073 1.00 1.83 H new ATOM 0 HE3 LYS A 41 -5.502 -20.262 -0.321 1.00 1.83 H new ATOM 0 HZ1 LYS A 41 -4.100 -22.039 -1.183 1.00 2.56 H new ATOM 0 HZ2 LYS A 41 -5.425 -22.697 -0.350 1.00 2.56 H new ATOM 0 HZ3 LYS A 41 -5.406 -22.694 -2.048 1.00 2.56 H new ATOM 642 N ASP A 42 -10.717 -17.968 1.231 1.00 0.65 N ATOM 643 CA ASP A 42 -11.834 -17.651 2.165 1.00 0.83 C ATOM 644 C ASP A 42 -11.580 -16.285 2.803 1.00 0.75 C ATOM 645 O ASP A 42 -12.385 -15.784 3.563 1.00 0.97 O ATOM 646 CB ASP A 42 -11.915 -18.719 3.258 1.00 1.09 C ATOM 647 CG ASP A 42 -10.803 -19.748 3.053 1.00 1.72 C ATOM 648 OD1 ASP A 42 -10.710 -20.281 1.960 1.00 2.26 O ATOM 649 OD2 ASP A 42 -10.063 -19.986 3.994 1.00 2.42 O ATOM 0 H ASP A 42 -9.935 -18.477 1.643 1.00 0.65 H new ATOM 0 HA ASP A 42 -12.775 -17.632 1.615 1.00 0.83 H new ATOM 0 HB2 ASP A 42 -11.820 -18.256 4.240 1.00 1.09 H new ATOM 0 HB3 ASP A 42 -12.888 -19.210 3.230 1.00 1.09 H new ATOM 654 N THR A 43 -10.467 -15.676 2.494 1.00 0.58 N ATOM 655 CA THR A 43 -10.158 -14.340 3.075 1.00 0.52 C ATOM 656 C THR A 43 -11.100 -13.295 2.472 1.00 0.47 C ATOM 657 O THR A 43 -11.213 -13.168 1.268 1.00 0.65 O ATOM 658 CB THR A 43 -8.706 -13.968 2.754 1.00 0.53 C ATOM 659 OG1 THR A 43 -8.515 -13.991 1.346 1.00 0.65 O ATOM 660 CG2 THR A 43 -7.756 -14.971 3.415 1.00 0.91 C ATOM 0 H THR A 43 -9.757 -16.048 1.863 1.00 0.58 H new ATOM 0 HA THR A 43 -10.293 -14.371 4.156 1.00 0.52 H new ATOM 0 HB THR A 43 -8.496 -12.969 3.136 1.00 0.53 H new ATOM 0 HG1 THR A 43 -7.559 -13.910 1.144 1.00 0.65 H new ATOM 0 HG21 THR A 43 -6.725 -14.702 3.184 1.00 0.91 H new ATOM 0 HG22 THR A 43 -7.902 -14.953 4.495 1.00 0.91 H new ATOM 0 HG23 THR A 43 -7.964 -15.972 3.037 1.00 0.91 H new ATOM 668 N THR A 44 -11.778 -12.547 3.299 1.00 0.52 N ATOM 669 CA THR A 44 -12.715 -11.513 2.775 1.00 0.51 C ATOM 670 C THR A 44 -11.945 -10.230 2.465 1.00 0.43 C ATOM 671 O THR A 44 -10.736 -10.176 2.568 1.00 0.54 O ATOM 672 CB THR A 44 -13.785 -11.216 3.827 1.00 0.58 C ATOM 673 OG1 THR A 44 -13.155 -10.899 5.062 1.00 1.00 O ATOM 674 CG2 THR A 44 -14.684 -12.442 4.007 1.00 1.05 C ATOM 0 H THR A 44 -11.723 -12.607 4.316 1.00 0.52 H new ATOM 0 HA THR A 44 -13.186 -11.883 1.865 1.00 0.51 H new ATOM 0 HB THR A 44 -14.392 -10.372 3.501 1.00 0.58 H new ATOM 0 HG1 THR A 44 -13.838 -10.706 5.738 1.00 1.00 H new ATOM 0 HG21 THR A 44 -15.445 -12.228 4.757 1.00 1.05 H new ATOM 0 HG22 THR A 44 -15.166 -12.682 3.059 1.00 1.05 H new ATOM 0 HG23 THR A 44 -14.082 -13.290 4.333 1.00 1.05 H new ATOM 682 N GLU A 45 -12.642 -9.193 2.089 1.00 0.44 N ATOM 683 CA GLU A 45 -11.960 -7.907 1.777 1.00 0.38 C ATOM 684 C GLU A 45 -11.250 -7.412 3.038 1.00 0.33 C ATOM 685 O GLU A 45 -10.194 -6.815 2.979 1.00 0.31 O ATOM 686 CB GLU A 45 -12.991 -6.861 1.333 1.00 0.43 C ATOM 687 CG GLU A 45 -13.885 -7.426 0.220 1.00 0.55 C ATOM 688 CD GLU A 45 -15.186 -6.623 0.161 1.00 1.37 C ATOM 689 OE1 GLU A 45 -16.114 -6.985 0.864 1.00 2.08 O ATOM 690 OE2 GLU A 45 -15.232 -5.659 -0.585 1.00 2.10 O ATOM 0 H GLU A 45 -13.657 -9.182 1.984 1.00 0.44 H new ATOM 0 HA GLU A 45 -11.241 -8.060 0.972 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -13.604 -6.562 2.183 1.00 0.43 H new ATOM 0 HB3 GLU A 45 -12.480 -5.966 0.978 1.00 0.43 H new ATOM 0 HG2 GLU A 45 -13.369 -7.375 -0.739 1.00 0.55 H new ATOM 0 HG3 GLU A 45 -14.101 -8.477 0.410 1.00 0.55 H new ATOM 697 N LYS A 46 -11.827 -7.667 4.182 1.00 0.37 N ATOM 698 CA LYS A 46 -11.198 -7.226 5.459 1.00 0.37 C ATOM 699 C LYS A 46 -9.750 -7.722 5.512 1.00 0.31 C ATOM 700 O LYS A 46 -8.810 -6.956 5.431 1.00 0.35 O ATOM 701 CB LYS A 46 -11.957 -7.841 6.639 1.00 0.44 C ATOM 702 CG LYS A 46 -13.326 -7.160 6.822 1.00 0.50 C ATOM 703 CD LYS A 46 -13.264 -6.044 7.894 1.00 0.61 C ATOM 704 CE LYS A 46 -14.658 -5.785 8.499 1.00 1.07 C ATOM 705 NZ LYS A 46 -15.047 -4.365 8.274 1.00 1.87 N ATOM 0 H LYS A 46 -12.711 -8.164 4.286 1.00 0.37 H new ATOM 0 HA LYS A 46 -11.228 -6.138 5.514 1.00 0.37 H new ATOM 0 HB2 LYS A 46 -12.096 -8.909 6.471 1.00 0.44 H new ATOM 0 HB3 LYS A 46 -11.369 -7.736 7.550 1.00 0.44 H new ATOM 0 HG2 LYS A 46 -13.653 -6.736 5.872 1.00 0.50 H new ATOM 0 HG3 LYS A 46 -14.068 -7.904 7.112 1.00 0.50 H new ATOM 0 HD2 LYS A 46 -12.568 -6.330 8.683 1.00 0.61 H new ATOM 0 HD3 LYS A 46 -12.880 -5.126 7.448 1.00 0.61 H new ATOM 0 HE2 LYS A 46 -15.392 -6.450 8.043 1.00 1.07 H new ATOM 0 HE3 LYS A 46 -14.648 -6.005 9.567 1.00 1.07 H new ATOM 0 HZ1 LYS A 46 -15.988 -4.194 8.683 1.00 1.87 H new ATOM 0 HZ2 LYS A 46 -14.352 -3.739 8.729 1.00 1.87 H new ATOM 0 HZ3 LYS A 46 -15.073 -4.170 7.253 1.00 1.87 H new ATOM 719 N GLU A 47 -9.577 -9.007 5.664 1.00 0.28 N ATOM 720 CA GLU A 47 -8.207 -9.586 5.746 1.00 0.28 C ATOM 721 C GLU A 47 -7.376 -9.163 4.532 1.00 0.25 C ATOM 722 O GLU A 47 -6.163 -9.211 4.557 1.00 0.34 O ATOM 723 CB GLU A 47 -8.312 -11.111 5.786 1.00 0.33 C ATOM 724 CG GLU A 47 -9.157 -11.533 6.992 1.00 0.47 C ATOM 725 CD GLU A 47 -8.691 -12.902 7.490 1.00 1.37 C ATOM 726 OE1 GLU A 47 -8.512 -13.783 6.664 1.00 2.13 O ATOM 727 OE2 GLU A 47 -8.521 -13.049 8.689 1.00 2.08 O ATOM 0 H GLU A 47 -10.334 -9.686 5.735 1.00 0.28 H new ATOM 0 HA GLU A 47 -7.718 -9.221 6.649 1.00 0.28 H new ATOM 0 HB2 GLU A 47 -8.764 -11.479 4.865 1.00 0.33 H new ATOM 0 HB3 GLU A 47 -7.318 -11.553 5.852 1.00 0.33 H new ATOM 0 HG2 GLU A 47 -9.066 -10.795 7.789 1.00 0.47 H new ATOM 0 HG3 GLU A 47 -10.210 -11.575 6.714 1.00 0.47 H new ATOM 734 N THR A 48 -8.008 -8.750 3.469 1.00 0.24 N ATOM 735 CA THR A 48 -7.231 -8.333 2.266 1.00 0.24 C ATOM 736 C THR A 48 -6.508 -7.017 2.555 1.00 0.23 C ATOM 737 O THR A 48 -5.335 -6.869 2.278 1.00 0.30 O ATOM 738 CB THR A 48 -8.179 -8.147 1.078 1.00 0.26 C ATOM 739 OG1 THR A 48 -9.102 -9.226 1.037 1.00 0.28 O ATOM 740 CG2 THR A 48 -7.370 -8.115 -0.219 1.00 0.32 C ATOM 0 H THR A 48 -9.022 -8.683 3.380 1.00 0.24 H new ATOM 0 HA THR A 48 -6.499 -9.104 2.025 1.00 0.24 H new ATOM 0 HB THR A 48 -8.723 -7.209 1.188 1.00 0.26 H new ATOM 0 HG1 THR A 48 -9.609 -9.254 1.875 1.00 0.28 H new ATOM 0 HG21 THR A 48 -8.044 -7.983 -1.065 1.00 0.32 H new ATOM 0 HG22 THR A 48 -6.662 -7.287 -0.186 1.00 0.32 H new ATOM 0 HG23 THR A 48 -6.826 -9.053 -0.332 1.00 0.32 H new ATOM 748 N PHE A 49 -7.197 -6.058 3.110 1.00 0.21 N ATOM 749 CA PHE A 49 -6.545 -4.753 3.415 1.00 0.22 C ATOM 750 C PHE A 49 -5.492 -4.952 4.508 1.00 0.20 C ATOM 751 O PHE A 49 -4.463 -4.304 4.518 1.00 0.22 O ATOM 752 CB PHE A 49 -7.598 -3.754 3.898 1.00 0.26 C ATOM 753 CG PHE A 49 -8.642 -3.560 2.822 1.00 0.28 C ATOM 754 CD1 PHE A 49 -8.285 -2.978 1.600 1.00 0.30 C ATOM 755 CD2 PHE A 49 -9.964 -3.962 3.046 1.00 0.30 C ATOM 756 CE1 PHE A 49 -9.250 -2.797 0.602 1.00 0.35 C ATOM 757 CE2 PHE A 49 -10.930 -3.780 2.049 1.00 0.33 C ATOM 758 CZ PHE A 49 -10.573 -3.198 0.826 1.00 0.35 C ATOM 0 H PHE A 49 -8.182 -6.121 3.365 1.00 0.21 H new ATOM 0 HA PHE A 49 -6.067 -4.368 2.514 1.00 0.22 H new ATOM 0 HB2 PHE A 49 -8.067 -4.117 4.813 1.00 0.26 H new ATOM 0 HB3 PHE A 49 -7.127 -2.801 4.138 1.00 0.26 H new ATOM 0 HD1 PHE A 49 -7.265 -2.669 1.427 1.00 0.30 H new ATOM 0 HD2 PHE A 49 -10.239 -4.413 3.988 1.00 0.30 H new ATOM 0 HE1 PHE A 49 -8.974 -2.348 -0.341 1.00 0.35 H new ATOM 0 HE2 PHE A 49 -11.950 -4.088 2.223 1.00 0.33 H new ATOM 0 HZ PHE A 49 -11.318 -3.059 0.056 1.00 0.35 H new ATOM 768 N CYS A 50 -5.740 -5.842 5.430 1.00 0.20 N ATOM 769 CA CYS A 50 -4.752 -6.080 6.522 1.00 0.20 C ATOM 770 C CYS A 50 -3.457 -6.638 5.926 1.00 0.18 C ATOM 771 O CYS A 50 -2.404 -6.041 6.034 1.00 0.19 O ATOM 772 CB CYS A 50 -5.328 -7.086 7.520 1.00 0.23 C ATOM 773 SG CYS A 50 -3.979 -7.862 8.443 1.00 0.28 S ATOM 0 H CYS A 50 -6.583 -6.414 5.475 1.00 0.20 H new ATOM 0 HA CYS A 50 -4.542 -5.140 7.033 1.00 0.20 H new ATOM 0 HB2 CYS A 50 -6.010 -6.584 8.206 1.00 0.23 H new ATOM 0 HB3 CYS A 50 -5.907 -7.845 6.994 1.00 0.23 H new ATOM 778 N ARG A 51 -3.529 -7.778 5.296 1.00 0.18 N ATOM 779 CA ARG A 51 -2.304 -8.375 4.690 1.00 0.20 C ATOM 780 C ARG A 51 -1.570 -7.307 3.880 1.00 0.19 C ATOM 781 O ARG A 51 -0.373 -7.140 3.991 1.00 0.22 O ATOM 782 CB ARG A 51 -2.709 -9.525 3.766 1.00 0.22 C ATOM 783 CG ARG A 51 -3.372 -10.635 4.594 1.00 0.32 C ATOM 784 CD ARG A 51 -4.004 -11.684 3.669 1.00 0.41 C ATOM 785 NE ARG A 51 -3.083 -12.846 3.531 1.00 1.18 N ATOM 786 CZ ARG A 51 -3.524 -13.970 3.037 1.00 1.50 C ATOM 787 NH1 ARG A 51 -4.769 -14.072 2.659 1.00 1.15 N ATOM 788 NH2 ARG A 51 -2.720 -14.991 2.918 1.00 2.53 N ATOM 0 H ARG A 51 -4.383 -8.323 5.174 1.00 0.18 H new ATOM 0 HA ARG A 51 -1.649 -8.750 5.476 1.00 0.20 H new ATOM 0 HB2 ARG A 51 -3.398 -9.166 3.001 1.00 0.22 H new ATOM 0 HB3 ARG A 51 -1.833 -9.916 3.248 1.00 0.22 H new ATOM 0 HG2 ARG A 51 -2.632 -11.108 5.239 1.00 0.32 H new ATOM 0 HG3 ARG A 51 -4.135 -10.207 5.244 1.00 0.32 H new ATOM 0 HD2 ARG A 51 -4.961 -12.012 4.074 1.00 0.41 H new ATOM 0 HD3 ARG A 51 -4.205 -11.248 2.691 1.00 0.41 H new ATOM 0 HE ARG A 51 -2.109 -12.763 3.822 1.00 1.18 H new ATOM 0 HH11 ARG A 51 -5.397 -13.273 2.750 1.00 1.15 H new ATOM 0 HH12 ARG A 51 -5.114 -14.951 2.273 1.00 1.15 H new ATOM 0 HH21 ARG A 51 -1.746 -14.910 3.211 1.00 2.53 H new ATOM 0 HH22 ARG A 51 -3.065 -15.870 2.532 1.00 2.53 H new ATOM 802 N ALA A 52 -2.284 -6.581 3.063 1.00 0.19 N ATOM 803 CA ALA A 52 -1.633 -5.522 2.244 1.00 0.22 C ATOM 804 C ALA A 52 -0.842 -4.585 3.157 1.00 0.20 C ATOM 805 O ALA A 52 0.301 -4.265 2.897 1.00 0.25 O ATOM 806 CB ALA A 52 -2.703 -4.723 1.498 1.00 0.25 C ATOM 0 H ALA A 52 -3.291 -6.676 2.928 1.00 0.19 H new ATOM 0 HA ALA A 52 -0.957 -5.984 1.524 1.00 0.22 H new ATOM 0 HB1 ALA A 52 -2.226 -3.948 0.898 1.00 0.25 H new ATOM 0 HB2 ALA A 52 -3.267 -5.390 0.846 1.00 0.25 H new ATOM 0 HB3 ALA A 52 -3.379 -4.261 2.217 1.00 0.25 H new ATOM 812 N ALA A 53 -1.441 -4.142 4.228 1.00 0.21 N ATOM 813 CA ALA A 53 -0.723 -3.226 5.158 1.00 0.21 C ATOM 814 C ALA A 53 0.489 -3.949 5.748 1.00 0.20 C ATOM 815 O ALA A 53 1.577 -3.411 5.804 1.00 0.18 O ATOM 816 CB ALA A 53 -1.665 -2.804 6.288 1.00 0.24 C ATOM 0 H ALA A 53 -2.396 -4.375 4.499 1.00 0.21 H new ATOM 0 HA ALA A 53 -0.391 -2.342 4.614 1.00 0.21 H new ATOM 0 HB1 ALA A 53 -1.140 -2.134 6.968 1.00 0.24 H new ATOM 0 HB2 ALA A 53 -2.530 -2.290 5.868 1.00 0.24 H new ATOM 0 HB3 ALA A 53 -1.998 -3.687 6.833 1.00 0.24 H new ATOM 822 N THR A 54 0.312 -5.165 6.186 1.00 0.22 N ATOM 823 CA THR A 54 1.455 -5.922 6.770 1.00 0.22 C ATOM 824 C THR A 54 2.661 -5.813 5.838 1.00 0.21 C ATOM 825 O THR A 54 3.765 -5.539 6.263 1.00 0.21 O ATOM 826 CB THR A 54 1.064 -7.393 6.931 1.00 0.26 C ATOM 827 OG1 THR A 54 -0.200 -7.477 7.576 1.00 0.27 O ATOM 828 CG2 THR A 54 2.117 -8.119 7.772 1.00 0.27 C ATOM 0 H THR A 54 -0.575 -5.667 6.165 1.00 0.22 H new ATOM 0 HA THR A 54 1.709 -5.507 7.745 1.00 0.22 H new ATOM 0 HB THR A 54 1.005 -7.861 5.948 1.00 0.26 H new ATOM 0 HG1 THR A 54 -0.453 -8.418 7.679 1.00 0.27 H new ATOM 0 HG21 THR A 54 1.835 -9.166 7.884 1.00 0.27 H new ATOM 0 HG22 THR A 54 3.086 -8.056 7.276 1.00 0.27 H new ATOM 0 HG23 THR A 54 2.182 -7.653 8.755 1.00 0.27 H new ATOM 836 N VAL A 55 2.460 -6.027 4.568 1.00 0.20 N ATOM 837 CA VAL A 55 3.596 -5.937 3.610 1.00 0.20 C ATOM 838 C VAL A 55 4.171 -4.521 3.642 1.00 0.18 C ATOM 839 O VAL A 55 5.309 -4.310 4.017 1.00 0.19 O ATOM 840 CB VAL A 55 3.104 -6.261 2.199 1.00 0.23 C ATOM 841 CG1 VAL A 55 4.273 -6.167 1.216 1.00 0.24 C ATOM 842 CG2 VAL A 55 2.531 -7.680 2.175 1.00 0.26 C ATOM 0 H VAL A 55 1.558 -6.260 4.152 1.00 0.20 H new ATOM 0 HA VAL A 55 4.370 -6.651 3.892 1.00 0.20 H new ATOM 0 HB VAL A 55 2.330 -5.550 1.911 1.00 0.23 H new ATOM 0 HG11 VAL A 55 3.922 -6.398 0.210 1.00 0.24 H new ATOM 0 HG12 VAL A 55 4.683 -5.157 1.234 1.00 0.24 H new ATOM 0 HG13 VAL A 55 5.047 -6.879 1.502 1.00 0.24 H new ATOM 0 HG21 VAL A 55 2.179 -7.913 1.170 1.00 0.26 H new ATOM 0 HG22 VAL A 55 3.306 -8.390 2.462 1.00 0.26 H new ATOM 0 HG23 VAL A 55 1.699 -7.748 2.875 1.00 0.26 H new ATOM 852 N LEU A 56 3.391 -3.545 3.259 1.00 0.18 N ATOM 853 CA LEU A 56 3.890 -2.141 3.276 1.00 0.19 C ATOM 854 C LEU A 56 4.578 -1.876 4.615 1.00 0.18 C ATOM 855 O LEU A 56 5.500 -1.092 4.710 1.00 0.19 O ATOM 856 CB LEU A 56 2.708 -1.180 3.112 1.00 0.21 C ATOM 857 CG LEU A 56 1.961 -1.499 1.814 1.00 0.29 C ATOM 858 CD1 LEU A 56 0.749 -0.576 1.681 1.00 0.30 C ATOM 859 CD2 LEU A 56 2.894 -1.290 0.614 1.00 0.48 C ATOM 0 H LEU A 56 2.431 -3.660 2.935 1.00 0.18 H new ATOM 0 HA LEU A 56 4.597 -1.989 2.460 1.00 0.19 H new ATOM 0 HB2 LEU A 56 2.033 -1.270 3.963 1.00 0.21 H new ATOM 0 HB3 LEU A 56 3.064 -0.150 3.095 1.00 0.21 H new ATOM 0 HG LEU A 56 1.629 -2.537 1.837 1.00 0.29 H new ATOM 0 HD11 LEU A 56 0.218 -0.804 0.757 1.00 0.30 H new ATOM 0 HD12 LEU A 56 0.082 -0.727 2.530 1.00 0.30 H new ATOM 0 HD13 LEU A 56 1.082 0.462 1.662 1.00 0.30 H new ATOM 0 HD21 LEU A 56 2.358 -1.518 -0.307 1.00 0.48 H new ATOM 0 HD22 LEU A 56 3.231 -0.254 0.591 1.00 0.48 H new ATOM 0 HD23 LEU A 56 3.757 -1.950 0.705 1.00 0.48 H new ATOM 871 N ARG A 57 4.132 -2.533 5.649 1.00 0.17 N ATOM 872 CA ARG A 57 4.747 -2.337 6.992 1.00 0.19 C ATOM 873 C ARG A 57 6.230 -2.728 6.940 1.00 0.19 C ATOM 874 O ARG A 57 7.109 -1.893 7.038 1.00 0.21 O ATOM 875 CB ARG A 57 4.014 -3.223 8.006 1.00 0.22 C ATOM 876 CG ARG A 57 4.013 -2.559 9.383 1.00 0.48 C ATOM 877 CD ARG A 57 3.247 -3.446 10.368 1.00 0.65 C ATOM 878 NE ARG A 57 3.818 -3.283 11.734 1.00 1.34 N ATOM 879 CZ ARG A 57 3.169 -3.740 12.771 1.00 1.62 C ATOM 880 NH1 ARG A 57 2.031 -4.358 12.607 1.00 1.20 N ATOM 881 NH2 ARG A 57 3.660 -3.585 13.970 1.00 2.58 N ATOM 0 H ARG A 57 3.363 -3.202 5.621 1.00 0.17 H new ATOM 0 HA ARG A 57 4.665 -1.291 7.289 1.00 0.19 H new ATOM 0 HB2 ARG A 57 2.989 -3.395 7.676 1.00 0.22 H new ATOM 0 HB3 ARG A 57 4.498 -4.198 8.065 1.00 0.22 H new ATOM 0 HG2 ARG A 57 5.036 -2.410 9.729 1.00 0.48 H new ATOM 0 HG3 ARG A 57 3.549 -1.574 9.325 1.00 0.48 H new ATOM 0 HD2 ARG A 57 2.191 -3.177 10.370 1.00 0.65 H new ATOM 0 HD3 ARG A 57 3.310 -4.489 10.059 1.00 0.65 H new ATOM 0 HE ARG A 57 4.715 -2.815 11.859 1.00 1.34 H new ATOM 0 HH11 ARG A 57 1.649 -4.484 11.669 1.00 1.20 H new ATOM 0 HH12 ARG A 57 1.523 -4.715 13.416 1.00 1.20 H new ATOM 0 HH21 ARG A 57 4.552 -3.106 14.098 1.00 2.58 H new ATOM 0 HH22 ARG A 57 3.152 -3.942 14.779 1.00 2.58 H new ATOM 895 N GLN A 58 6.511 -3.995 6.793 1.00 0.19 N ATOM 896 CA GLN A 58 7.930 -4.448 6.743 1.00 0.21 C ATOM 897 C GLN A 58 8.627 -3.850 5.520 1.00 0.21 C ATOM 898 O GLN A 58 9.804 -4.062 5.304 1.00 0.24 O ATOM 899 CB GLN A 58 7.972 -5.975 6.656 1.00 0.23 C ATOM 900 CG GLN A 58 7.037 -6.449 5.542 1.00 0.34 C ATOM 901 CD GLN A 58 7.265 -7.940 5.286 1.00 0.86 C ATOM 902 OE1 GLN A 58 6.991 -8.764 6.136 1.00 1.64 O ATOM 903 NE2 GLN A 58 7.758 -8.324 4.141 1.00 1.54 N ATOM 0 H GLN A 58 5.817 -4.737 6.705 1.00 0.19 H new ATOM 0 HA GLN A 58 8.444 -4.116 7.645 1.00 0.21 H new ATOM 0 HB2 GLN A 58 8.990 -6.311 6.458 1.00 0.23 H new ATOM 0 HB3 GLN A 58 7.672 -6.412 7.608 1.00 0.23 H new ATOM 0 HG2 GLN A 58 5.999 -6.272 5.824 1.00 0.34 H new ATOM 0 HG3 GLN A 58 7.222 -5.880 4.631 1.00 0.34 H new ATOM 0 HE21 GLN A 58 7.988 -7.633 3.427 1.00 1.54 H new ATOM 0 HE22 GLN A 58 7.913 -9.316 3.959 1.00 1.54 H new ATOM 912 N PHE A 59 7.918 -3.107 4.715 1.00 0.19 N ATOM 913 CA PHE A 59 8.560 -2.508 3.510 1.00 0.20 C ATOM 914 C PHE A 59 9.281 -1.214 3.894 1.00 0.21 C ATOM 915 O PHE A 59 10.495 -1.149 3.900 1.00 0.24 O ATOM 916 CB PHE A 59 7.496 -2.203 2.455 1.00 0.21 C ATOM 917 CG PHE A 59 8.178 -1.769 1.179 1.00 0.23 C ATOM 918 CD1 PHE A 59 8.645 -2.731 0.274 1.00 0.28 C ATOM 919 CD2 PHE A 59 8.352 -0.408 0.905 1.00 0.24 C ATOM 920 CE1 PHE A 59 9.283 -2.330 -0.906 1.00 0.32 C ATOM 921 CE2 PHE A 59 8.990 -0.007 -0.276 1.00 0.28 C ATOM 922 CZ PHE A 59 9.456 -0.969 -1.180 1.00 0.31 C ATOM 0 H PHE A 59 6.929 -2.890 4.838 1.00 0.19 H new ATOM 0 HA PHE A 59 9.282 -3.217 3.103 1.00 0.20 H new ATOM 0 HB2 PHE A 59 6.883 -3.086 2.273 1.00 0.21 H new ATOM 0 HB3 PHE A 59 6.828 -1.419 2.810 1.00 0.21 H new ATOM 0 HD1 PHE A 59 8.513 -3.782 0.486 1.00 0.28 H new ATOM 0 HD2 PHE A 59 7.994 0.334 1.604 1.00 0.24 H new ATOM 0 HE1 PHE A 59 9.642 -3.071 -1.605 1.00 0.32 H new ATOM 0 HE2 PHE A 59 9.122 1.044 -0.489 1.00 0.28 H new ATOM 0 HZ PHE A 59 9.949 -0.660 -2.090 1.00 0.31 H new ATOM 932 N TYR A 60 8.548 -0.178 4.202 1.00 0.20 N ATOM 933 CA TYR A 60 9.203 1.110 4.569 1.00 0.23 C ATOM 934 C TYR A 60 9.781 1.020 5.984 1.00 0.25 C ATOM 935 O TYR A 60 10.422 1.935 6.457 1.00 0.29 O ATOM 936 CB TYR A 60 8.177 2.246 4.508 1.00 0.24 C ATOM 937 CG TYR A 60 7.092 2.009 5.531 1.00 0.24 C ATOM 938 CD1 TYR A 60 7.309 2.341 6.874 1.00 0.27 C ATOM 939 CD2 TYR A 60 5.867 1.461 5.136 1.00 0.23 C ATOM 940 CE1 TYR A 60 6.301 2.122 7.821 1.00 0.29 C ATOM 941 CE2 TYR A 60 4.859 1.241 6.082 1.00 0.24 C ATOM 942 CZ TYR A 60 5.077 1.573 7.425 1.00 0.28 C ATOM 943 OH TYR A 60 4.082 1.357 8.357 1.00 0.30 O ATOM 0 H TYR A 60 7.528 -0.168 4.215 1.00 0.20 H new ATOM 0 HA TYR A 60 10.010 1.310 3.865 1.00 0.23 H new ATOM 0 HB2 TYR A 60 8.666 3.201 4.698 1.00 0.24 H new ATOM 0 HB3 TYR A 60 7.743 2.303 3.510 1.00 0.24 H new ATOM 0 HD1 TYR A 60 8.254 2.766 7.179 1.00 0.27 H new ATOM 0 HD2 TYR A 60 5.699 1.207 4.100 1.00 0.23 H new ATOM 0 HE1 TYR A 60 6.469 2.377 8.857 1.00 0.29 H new ATOM 0 HE2 TYR A 60 3.914 0.816 5.777 1.00 0.24 H new ATOM 0 HH TYR A 60 3.370 0.815 7.956 1.00 0.30 H new ATOM 953 N SER A 61 9.565 -0.071 6.666 1.00 0.24 N ATOM 954 CA SER A 61 10.112 -0.194 8.047 1.00 0.26 C ATOM 955 C SER A 61 11.514 -0.810 7.993 1.00 0.27 C ATOM 956 O SER A 61 12.398 -0.428 8.734 1.00 0.31 O ATOM 957 CB SER A 61 9.195 -1.084 8.884 1.00 0.27 C ATOM 958 OG SER A 61 7.872 -0.566 8.844 1.00 0.29 O ATOM 0 H SER A 61 9.038 -0.877 6.330 1.00 0.24 H new ATOM 0 HA SER A 61 10.169 0.795 8.501 1.00 0.26 H new ATOM 0 HB2 SER A 61 9.210 -2.104 8.500 1.00 0.27 H new ATOM 0 HB3 SER A 61 9.550 -1.126 9.914 1.00 0.27 H new ATOM 0 HG SER A 61 7.442 -0.832 8.005 1.00 0.29 H new ATOM 964 N HIS A 62 11.723 -1.766 7.129 1.00 0.27 N ATOM 965 CA HIS A 62 13.067 -2.410 7.038 1.00 0.31 C ATOM 966 C HIS A 62 13.938 -1.674 6.014 1.00 0.33 C ATOM 967 O HIS A 62 15.126 -1.504 6.205 1.00 0.66 O ATOM 968 CB HIS A 62 12.901 -3.867 6.601 1.00 0.33 C ATOM 969 CG HIS A 62 12.623 -4.727 7.803 1.00 0.59 C ATOM 970 ND1 HIS A 62 11.626 -4.422 8.716 1.00 1.35 N ATOM 971 CD2 HIS A 62 13.202 -5.887 8.254 1.00 1.31 C ATOM 972 CE1 HIS A 62 11.635 -5.381 9.661 1.00 1.36 C ATOM 973 NE2 HIS A 62 12.576 -6.298 9.427 1.00 1.27 N ATOM 0 H HIS A 62 11.023 -2.129 6.482 1.00 0.27 H new ATOM 0 HA HIS A 62 13.549 -2.366 8.015 1.00 0.31 H new ATOM 0 HB2 HIS A 62 12.084 -3.951 5.885 1.00 0.33 H new ATOM 0 HB3 HIS A 62 13.804 -4.211 6.097 1.00 0.33 H new ATOM 0 HD2 HIS A 62 14.019 -6.402 7.772 1.00 1.31 H new ATOM 0 HE1 HIS A 62 10.962 -5.405 10.506 1.00 1.36 H new ATOM 0 HE2 HIS A 62 12.790 -7.123 9.987 1.00 1.27 H new ATOM 981 N HIS A 63 13.364 -1.252 4.922 1.00 0.30 N ATOM 982 CA HIS A 63 14.163 -0.546 3.877 1.00 0.30 C ATOM 983 C HIS A 63 14.614 0.826 4.384 1.00 0.29 C ATOM 984 O HIS A 63 15.778 1.167 4.315 1.00 0.30 O ATOM 985 CB HIS A 63 13.303 -0.360 2.627 1.00 0.30 C ATOM 986 CG HIS A 63 12.941 -1.708 2.066 1.00 0.34 C ATOM 987 ND1 HIS A 63 13.879 -2.713 1.893 1.00 0.52 N ATOM 988 CD2 HIS A 63 11.747 -2.232 1.633 1.00 0.39 C ATOM 989 CE1 HIS A 63 13.242 -3.780 1.377 1.00 0.56 C ATOM 990 NE2 HIS A 63 11.941 -3.541 1.199 1.00 0.46 N ATOM 0 H HIS A 63 12.374 -1.365 4.706 1.00 0.30 H new ATOM 0 HA HIS A 63 15.044 -1.144 3.643 1.00 0.30 H new ATOM 0 HB2 HIS A 63 12.400 0.198 2.873 1.00 0.30 H new ATOM 0 HB3 HIS A 63 13.845 0.223 1.882 1.00 0.30 H new ATOM 0 HD2 HIS A 63 10.802 -1.709 1.630 1.00 0.39 H new ATOM 0 HE1 HIS A 63 13.725 -4.716 1.136 1.00 0.56 H new ATOM 0 HE2 HIS A 63 11.239 -4.180 0.825 1.00 0.46 H new ATOM 998 N GLU A 64 13.701 1.617 4.877 1.00 0.29 N ATOM 999 CA GLU A 64 14.068 2.975 5.380 1.00 0.30 C ATOM 1000 C GLU A 64 15.355 2.894 6.207 1.00 0.32 C ATOM 1001 O GLU A 64 16.121 3.835 6.271 1.00 0.36 O ATOM 1002 CB GLU A 64 12.924 3.508 6.249 1.00 0.34 C ATOM 1003 CG GLU A 64 13.204 4.956 6.676 1.00 0.43 C ATOM 1004 CD GLU A 64 12.284 5.330 7.840 1.00 1.28 C ATOM 1005 OE1 GLU A 64 12.052 4.478 8.684 1.00 2.00 O ATOM 1006 OE2 GLU A 64 11.828 6.461 7.871 1.00 2.00 O ATOM 0 H GLU A 64 12.712 1.382 4.954 1.00 0.29 H new ATOM 0 HA GLU A 64 14.234 3.646 4.538 1.00 0.30 H new ATOM 0 HB2 GLU A 64 11.986 3.461 5.695 1.00 0.34 H new ATOM 0 HB3 GLU A 64 12.806 2.879 7.131 1.00 0.34 H new ATOM 0 HG2 GLU A 64 14.247 5.064 6.973 1.00 0.43 H new ATOM 0 HG3 GLU A 64 13.040 5.632 5.837 1.00 0.43 H new ATOM 1013 N LYS A 65 15.601 1.783 6.844 1.00 0.38 N ATOM 1014 CA LYS A 65 16.839 1.658 7.664 1.00 0.42 C ATOM 1015 C LYS A 65 17.972 1.097 6.803 1.00 0.40 C ATOM 1016 O LYS A 65 19.136 1.314 7.076 1.00 0.44 O ATOM 1017 CB LYS A 65 16.576 0.722 8.844 1.00 0.51 C ATOM 1018 CG LYS A 65 15.699 1.442 9.871 1.00 0.73 C ATOM 1019 CD LYS A 65 14.925 0.417 10.703 1.00 1.06 C ATOM 1020 CE LYS A 65 13.993 1.149 11.671 1.00 1.23 C ATOM 1021 NZ LYS A 65 14.015 0.465 12.996 1.00 1.96 N ATOM 0 H LYS A 65 15.001 0.958 6.833 1.00 0.38 H new ATOM 0 HA LYS A 65 17.127 2.640 8.039 1.00 0.42 H new ATOM 0 HB2 LYS A 65 16.082 -0.187 8.500 1.00 0.51 H new ATOM 0 HB3 LYS A 65 17.518 0.420 9.301 1.00 0.51 H new ATOM 0 HG2 LYS A 65 16.318 2.059 10.522 1.00 0.73 H new ATOM 0 HG3 LYS A 65 15.004 2.111 9.364 1.00 0.73 H new ATOM 0 HD2 LYS A 65 14.348 -0.237 10.050 1.00 1.06 H new ATOM 0 HD3 LYS A 65 15.618 -0.216 11.257 1.00 1.06 H new ATOM 0 HE2 LYS A 65 14.307 2.187 11.780 1.00 1.23 H new ATOM 0 HE3 LYS A 65 12.978 1.164 11.274 1.00 1.23 H new ATOM 0 HZ1 LYS A 65 13.382 0.962 13.654 1.00 1.96 H new ATOM 0 HZ2 LYS A 65 13.695 -0.518 12.884 1.00 1.96 H new ATOM 0 HZ3 LYS A 65 14.983 0.473 13.375 1.00 1.96 H new ATOM 1035 N ASP A 66 17.644 0.381 5.764 1.00 0.39 N ATOM 1036 CA ASP A 66 18.708 -0.188 4.890 1.00 0.42 C ATOM 1037 C ASP A 66 19.173 0.888 3.904 1.00 0.38 C ATOM 1038 O ASP A 66 18.375 1.612 3.340 1.00 0.37 O ATOM 1039 CB ASP A 66 18.146 -1.385 4.119 1.00 0.49 C ATOM 1040 CG ASP A 66 19.287 -2.340 3.760 1.00 0.74 C ATOM 1041 OD1 ASP A 66 19.889 -2.148 2.718 1.00 1.37 O ATOM 1042 OD2 ASP A 66 19.539 -3.246 4.536 1.00 1.36 O ATOM 0 H ASP A 66 16.688 0.165 5.482 1.00 0.39 H new ATOM 0 HA ASP A 66 19.551 -0.516 5.498 1.00 0.42 H new ATOM 0 HB2 ASP A 66 17.400 -1.903 4.722 1.00 0.49 H new ATOM 0 HB3 ASP A 66 17.643 -1.045 3.214 1.00 0.49 H new ATOM 1047 N THR A 67 20.455 1.007 3.696 1.00 0.40 N ATOM 1048 CA THR A 67 20.965 2.045 2.752 1.00 0.40 C ATOM 1049 C THR A 67 20.761 1.579 1.309 1.00 0.44 C ATOM 1050 O THR A 67 21.681 1.573 0.516 1.00 0.51 O ATOM 1051 CB THR A 67 22.457 2.276 3.006 1.00 0.45 C ATOM 1052 OG1 THR A 67 23.204 1.215 2.427 1.00 0.73 O ATOM 1053 CG2 THR A 67 22.720 2.324 4.512 1.00 0.94 C ATOM 0 H THR A 67 21.172 0.432 4.138 1.00 0.40 H new ATOM 0 HA THR A 67 20.418 2.974 2.911 1.00 0.40 H new ATOM 0 HB THR A 67 22.759 3.222 2.557 1.00 0.45 H new ATOM 0 HG1 THR A 67 23.131 1.258 1.451 1.00 0.73 H new ATOM 0 HG21 THR A 67 23.783 2.488 4.691 1.00 0.94 H new ATOM 0 HG22 THR A 67 22.147 3.138 4.956 1.00 0.94 H new ATOM 0 HG23 THR A 67 22.418 1.379 4.964 1.00 0.94 H new ATOM 1061 N ARG A 68 19.562 1.190 0.966 1.00 0.45 N ATOM 1062 CA ARG A 68 19.290 0.726 -0.426 1.00 0.54 C ATOM 1063 C ARG A 68 18.629 1.851 -1.224 1.00 0.49 C ATOM 1064 O ARG A 68 19.155 2.315 -2.216 1.00 0.57 O ATOM 1065 CB ARG A 68 18.354 -0.484 -0.379 1.00 0.62 C ATOM 1066 CG ARG A 68 19.154 -1.728 0.018 1.00 0.71 C ATOM 1067 CD ARG A 68 19.487 -2.557 -1.225 1.00 1.11 C ATOM 1068 NE ARG A 68 20.671 -3.414 -0.940 1.00 1.60 N ATOM 1069 CZ ARG A 68 20.948 -4.424 -1.717 1.00 2.12 C ATOM 1070 NH1 ARG A 68 20.174 -4.698 -2.732 1.00 2.24 N ATOM 1071 NH2 ARG A 68 21.998 -5.163 -1.478 1.00 2.87 N ATOM 0 H ARG A 68 18.757 1.174 1.592 1.00 0.45 H new ATOM 0 HA ARG A 68 20.228 0.447 -0.907 1.00 0.54 H new ATOM 0 HB2 ARG A 68 17.551 -0.310 0.338 1.00 0.62 H new ATOM 0 HB3 ARG A 68 17.886 -0.634 -1.352 1.00 0.62 H new ATOM 0 HG2 ARG A 68 20.073 -1.433 0.525 1.00 0.71 H new ATOM 0 HG3 ARG A 68 18.580 -2.329 0.723 1.00 0.71 H new ATOM 0 HD2 ARG A 68 18.634 -3.176 -1.503 1.00 1.11 H new ATOM 0 HD3 ARG A 68 19.694 -1.900 -2.070 1.00 1.11 H new ATOM 0 HE ARG A 68 21.266 -3.211 -0.137 1.00 1.60 H new ATOM 0 HH11 ARG A 68 19.353 -4.122 -2.917 1.00 2.24 H new ATOM 0 HH12 ARG A 68 20.391 -5.488 -3.340 1.00 2.24 H new ATOM 0 HH21 ARG A 68 22.601 -4.950 -0.684 1.00 2.87 H new ATOM 0 HH22 ARG A 68 22.215 -5.953 -2.086 1.00 2.87 H new ATOM 1085 N CYS A 69 17.477 2.291 -0.800 1.00 0.42 N ATOM 1086 CA CYS A 69 16.777 3.382 -1.535 1.00 0.39 C ATOM 1087 C CYS A 69 17.254 4.741 -1.015 1.00 0.38 C ATOM 1088 O CYS A 69 16.732 5.773 -1.386 1.00 0.44 O ATOM 1089 CB CYS A 69 15.270 3.242 -1.324 1.00 0.41 C ATOM 1090 SG CYS A 69 14.826 1.487 -1.349 1.00 0.32 S ATOM 0 H CYS A 69 16.989 1.942 0.025 1.00 0.42 H new ATOM 0 HA CYS A 69 17.002 3.312 -2.599 1.00 0.39 H new ATOM 0 HB2 CYS A 69 14.981 3.689 -0.373 1.00 0.41 H new ATOM 0 HB3 CYS A 69 14.730 3.777 -2.105 1.00 0.41 H new ATOM 1095 N LEU A 70 18.248 4.752 -0.169 1.00 0.38 N ATOM 1096 CA LEU A 70 18.759 6.050 0.360 1.00 0.42 C ATOM 1097 C LEU A 70 19.752 6.637 -0.644 1.00 0.51 C ATOM 1098 O LEU A 70 19.663 7.789 -1.021 1.00 0.64 O ATOM 1099 CB LEU A 70 19.475 5.826 1.700 1.00 0.39 C ATOM 1100 CG LEU A 70 18.460 5.728 2.851 1.00 0.46 C ATOM 1101 CD1 LEU A 70 19.193 5.430 4.162 1.00 0.45 C ATOM 1102 CD2 LEU A 70 17.701 7.052 3.003 1.00 0.73 C ATOM 0 H LEU A 70 18.727 3.921 0.178 1.00 0.38 H new ATOM 0 HA LEU A 70 17.923 6.733 0.510 1.00 0.42 H new ATOM 0 HB2 LEU A 70 20.068 4.912 1.653 1.00 0.39 H new ATOM 0 HB3 LEU A 70 20.168 6.646 1.889 1.00 0.39 H new ATOM 0 HG LEU A 70 17.756 4.927 2.625 1.00 0.46 H new ATOM 0 HD11 LEU A 70 18.471 5.361 4.975 1.00 0.45 H new ATOM 0 HD12 LEU A 70 19.729 4.485 4.072 1.00 0.45 H new ATOM 0 HD13 LEU A 70 19.902 6.231 4.373 1.00 0.45 H new ATOM 0 HD21 LEU A 70 16.986 6.969 3.821 1.00 0.73 H new ATOM 0 HD22 LEU A 70 18.407 7.854 3.218 1.00 0.73 H new ATOM 0 HD23 LEU A 70 17.170 7.275 2.078 1.00 0.73 H new ATOM 1114 N GLY A 71 20.700 5.852 -1.079 1.00 0.61 N ATOM 1115 CA GLY A 71 21.700 6.361 -2.057 1.00 0.75 C ATOM 1116 C GLY A 71 22.703 7.266 -1.338 1.00 0.64 C ATOM 1117 O GLY A 71 22.990 7.083 -0.172 1.00 0.72 O ATOM 0 H GLY A 71 20.824 4.879 -0.798 1.00 0.61 H new ATOM 0 HA2 GLY A 71 22.220 5.527 -2.529 1.00 0.75 H new ATOM 0 HA3 GLY A 71 21.199 6.915 -2.851 1.00 0.75 H new ATOM 1121 N ALA A 72 23.235 8.238 -2.030 1.00 0.68 N ATOM 1122 CA ALA A 72 24.221 9.162 -1.399 1.00 0.60 C ATOM 1123 C ALA A 72 23.936 10.597 -1.849 1.00 0.54 C ATOM 1124 O ALA A 72 24.180 11.545 -1.128 1.00 0.67 O ATOM 1125 CB ALA A 72 25.636 8.766 -1.826 1.00 0.70 C ATOM 0 H ALA A 72 23.028 8.432 -3.010 1.00 0.68 H new ATOM 0 HA ALA A 72 24.137 9.098 -0.314 1.00 0.60 H new ATOM 0 HB1 ALA A 72 26.357 9.441 -1.365 1.00 0.70 H new ATOM 0 HB2 ALA A 72 25.840 7.744 -1.507 1.00 0.70 H new ATOM 0 HB3 ALA A 72 25.720 8.831 -2.911 1.00 0.70 H new ATOM 1131 N THR A 73 23.421 10.764 -3.036 1.00 0.56 N ATOM 1132 CA THR A 73 23.121 12.135 -3.534 1.00 0.59 C ATOM 1133 C THR A 73 22.194 12.851 -2.552 1.00 0.54 C ATOM 1134 O THR A 73 21.609 12.243 -1.678 1.00 0.52 O ATOM 1135 CB THR A 73 22.435 12.041 -4.897 1.00 0.72 C ATOM 1136 OG1 THR A 73 21.752 10.799 -4.996 1.00 1.20 O ATOM 1137 CG2 THR A 73 23.480 12.141 -6.006 1.00 1.24 C ATOM 0 H THR A 73 23.195 10.009 -3.683 1.00 0.56 H new ATOM 0 HA THR A 73 24.052 12.695 -3.627 1.00 0.59 H new ATOM 0 HB THR A 73 21.721 12.858 -5.002 1.00 0.72 H new ATOM 0 HG1 THR A 73 21.310 10.737 -5.868 1.00 1.20 H new ATOM 0 HG21 THR A 73 22.988 12.074 -6.976 1.00 1.24 H new ATOM 0 HG22 THR A 73 24.002 13.095 -5.929 1.00 1.24 H new ATOM 0 HG23 THR A 73 24.197 11.326 -5.905 1.00 1.24 H new ATOM 1145 N ALA A 74 22.055 14.141 -2.690 1.00 0.57 N ATOM 1146 CA ALA A 74 21.165 14.901 -1.767 1.00 0.57 C ATOM 1147 C ALA A 74 19.750 14.959 -2.348 1.00 0.53 C ATOM 1148 O ALA A 74 18.774 15.004 -1.625 1.00 0.64 O ATOM 1149 CB ALA A 74 21.704 16.322 -1.596 1.00 0.66 C ATOM 0 H ALA A 74 22.520 14.703 -3.403 1.00 0.57 H new ATOM 0 HA ALA A 74 21.138 14.402 -0.798 1.00 0.57 H new ATOM 0 HB1 ALA A 74 21.054 16.879 -0.921 1.00 0.66 H new ATOM 0 HB2 ALA A 74 22.710 16.282 -1.179 1.00 0.66 H new ATOM 0 HB3 ALA A 74 21.732 16.820 -2.565 1.00 0.66 H new ATOM 1155 N GLN A 75 19.628 14.964 -3.649 1.00 0.49 N ATOM 1156 CA GLN A 75 18.273 15.026 -4.270 1.00 0.49 C ATOM 1157 C GLN A 75 17.546 13.697 -4.056 1.00 0.42 C ATOM 1158 O GLN A 75 16.337 13.654 -3.935 1.00 0.43 O ATOM 1159 CB GLN A 75 18.405 15.306 -5.769 1.00 0.57 C ATOM 1160 CG GLN A 75 19.075 14.117 -6.460 1.00 0.59 C ATOM 1161 CD GLN A 75 20.026 14.626 -7.546 1.00 0.97 C ATOM 1162 OE1 GLN A 75 21.188 14.870 -7.286 1.00 1.51 O ATOM 1163 NE2 GLN A 75 19.580 14.796 -8.760 1.00 1.66 N ATOM 0 H GLN A 75 20.406 14.928 -4.307 1.00 0.49 H new ATOM 0 HA GLN A 75 17.701 15.828 -3.804 1.00 0.49 H new ATOM 0 HB2 GLN A 75 17.421 15.484 -6.203 1.00 0.57 H new ATOM 0 HB3 GLN A 75 18.992 16.210 -5.929 1.00 0.57 H new ATOM 0 HG2 GLN A 75 19.624 13.522 -5.731 1.00 0.59 H new ATOM 0 HG3 GLN A 75 18.320 13.466 -6.900 1.00 0.59 H new ATOM 0 HE21 GLN A 75 18.605 14.591 -8.978 1.00 1.66 H new ATOM 0 HE22 GLN A 75 20.206 15.134 -9.491 1.00 1.66 H new ATOM 1172 N GLN A 76 18.268 12.610 -4.005 1.00 0.40 N ATOM 1173 CA GLN A 76 17.610 11.292 -3.796 1.00 0.38 C ATOM 1174 C GLN A 76 17.318 11.110 -2.306 1.00 0.33 C ATOM 1175 O GLN A 76 16.340 10.500 -1.922 1.00 0.32 O ATOM 1176 CB GLN A 76 18.539 10.173 -4.282 1.00 0.45 C ATOM 1177 CG GLN A 76 17.825 8.820 -4.194 1.00 0.66 C ATOM 1178 CD GLN A 76 18.379 7.884 -5.272 1.00 1.09 C ATOM 1179 OE1 GLN A 76 19.573 7.681 -5.362 1.00 1.87 O ATOM 1180 NE2 GLN A 76 17.555 7.303 -6.100 1.00 1.78 N ATOM 0 H GLN A 76 19.283 12.579 -4.099 1.00 0.40 H new ATOM 0 HA GLN A 76 16.677 11.252 -4.359 1.00 0.38 H new ATOM 0 HB2 GLN A 76 18.845 10.365 -5.310 1.00 0.45 H new ATOM 0 HB3 GLN A 76 19.446 10.154 -3.677 1.00 0.45 H new ATOM 0 HG2 GLN A 76 17.971 8.382 -3.206 1.00 0.66 H new ATOM 0 HG3 GLN A 76 16.752 8.953 -4.328 1.00 0.66 H new ATOM 0 HE21 GLN A 76 16.552 7.473 -6.025 1.00 1.78 H new ATOM 0 HE22 GLN A 76 17.914 6.679 -6.822 1.00 1.78 H new ATOM 1189 N PHE A 77 18.160 11.644 -1.466 1.00 0.33 N ATOM 1190 CA PHE A 77 17.934 11.511 0.001 1.00 0.33 C ATOM 1191 C PHE A 77 16.562 12.087 0.358 1.00 0.30 C ATOM 1192 O PHE A 77 15.794 11.485 1.083 1.00 0.32 O ATOM 1193 CB PHE A 77 19.021 12.282 0.756 1.00 0.40 C ATOM 1194 CG PHE A 77 18.771 12.185 2.243 1.00 0.46 C ATOM 1195 CD1 PHE A 77 19.160 11.038 2.945 1.00 0.52 C ATOM 1196 CD2 PHE A 77 18.149 13.242 2.918 1.00 0.58 C ATOM 1197 CE1 PHE A 77 18.929 10.949 4.323 1.00 0.66 C ATOM 1198 CE2 PHE A 77 17.918 13.153 4.296 1.00 0.70 C ATOM 1199 CZ PHE A 77 18.308 12.006 4.999 1.00 0.74 C ATOM 0 H PHE A 77 18.995 12.167 -1.731 1.00 0.33 H new ATOM 0 HA PHE A 77 17.972 10.458 0.281 1.00 0.33 H new ATOM 0 HB2 PHE A 77 20.003 11.876 0.515 1.00 0.40 H new ATOM 0 HB3 PHE A 77 19.023 13.327 0.445 1.00 0.40 H new ATOM 0 HD1 PHE A 77 19.638 10.222 2.424 1.00 0.52 H new ATOM 0 HD2 PHE A 77 17.847 14.126 2.376 1.00 0.58 H new ATOM 0 HE1 PHE A 77 19.230 10.065 4.865 1.00 0.66 H new ATOM 0 HE2 PHE A 77 17.439 13.969 4.817 1.00 0.70 H new ATOM 0 HZ PHE A 77 18.130 11.937 6.062 1.00 0.74 H new ATOM 1209 N HIS A 78 16.248 13.250 -0.145 1.00 0.35 N ATOM 1210 CA HIS A 78 14.928 13.867 0.165 1.00 0.39 C ATOM 1211 C HIS A 78 13.824 13.122 -0.588 1.00 0.37 C ATOM 1212 O HIS A 78 12.863 12.661 -0.004 1.00 0.40 O ATOM 1213 CB HIS A 78 14.939 15.335 -0.268 1.00 0.46 C ATOM 1214 CG HIS A 78 13.775 16.056 0.356 1.00 0.63 C ATOM 1215 ND1 HIS A 78 13.629 17.432 0.275 1.00 1.12 N ATOM 1216 CD2 HIS A 78 12.695 15.606 1.074 1.00 0.62 C ATOM 1217 CE1 HIS A 78 12.498 17.759 0.927 1.00 1.31 C ATOM 1218 NE2 HIS A 78 11.889 16.684 1.433 1.00 0.97 N ATOM 0 H HIS A 78 16.850 13.800 -0.758 1.00 0.35 H new ATOM 0 HA HIS A 78 14.741 13.804 1.237 1.00 0.39 H new ATOM 0 HB2 HIS A 78 15.875 15.806 0.033 1.00 0.46 H new ATOM 0 HB3 HIS A 78 14.882 15.404 -1.354 1.00 0.46 H new ATOM 0 HD2 HIS A 78 12.500 14.573 1.323 1.00 0.62 H new ATOM 0 HE1 HIS A 78 12.128 18.769 1.029 1.00 1.31 H new ATOM 0 HE2 HIS A 78 11.021 16.658 1.967 1.00 0.97 H new ATOM 1226 N ARG A 79 13.951 13.000 -1.882 1.00 0.36 N ATOM 1227 CA ARG A 79 12.906 12.284 -2.668 1.00 0.38 C ATOM 1228 C ARG A 79 12.564 10.961 -1.980 1.00 0.34 C ATOM 1229 O ARG A 79 11.424 10.541 -1.954 1.00 0.39 O ATOM 1230 CB ARG A 79 13.429 12.003 -4.079 1.00 0.43 C ATOM 1231 CG ARG A 79 12.275 12.115 -5.080 1.00 0.49 C ATOM 1232 CD ARG A 79 12.723 11.610 -6.453 1.00 0.52 C ATOM 1233 NE ARG A 79 12.546 12.693 -7.460 1.00 1.13 N ATOM 1234 CZ ARG A 79 13.104 12.590 -8.636 1.00 1.55 C ATOM 1235 NH1 ARG A 79 13.798 11.528 -8.938 1.00 1.58 N ATOM 1236 NH2 ARG A 79 12.963 13.548 -9.512 1.00 2.22 N ATOM 0 H ARG A 79 14.732 13.365 -2.428 1.00 0.36 H new ATOM 0 HA ARG A 79 12.012 12.904 -2.728 1.00 0.38 H new ATOM 0 HB2 ARG A 79 14.217 12.711 -4.335 1.00 0.43 H new ATOM 0 HB3 ARG A 79 13.869 11.007 -4.124 1.00 0.43 H new ATOM 0 HG2 ARG A 79 11.422 11.534 -4.730 1.00 0.49 H new ATOM 0 HG3 ARG A 79 11.946 13.152 -5.154 1.00 0.49 H new ATOM 0 HD2 ARG A 79 13.767 11.300 -6.416 1.00 0.52 H new ATOM 0 HD3 ARG A 79 12.140 10.734 -6.738 1.00 0.52 H new ATOM 0 HE ARG A 79 11.988 13.516 -7.231 1.00 1.13 H new ATOM 0 HH11 ARG A 79 13.905 10.778 -8.255 1.00 1.58 H new ATOM 0 HH12 ARG A 79 14.234 11.448 -9.857 1.00 1.58 H new ATOM 0 HH21 ARG A 79 12.417 14.377 -9.278 1.00 2.22 H new ATOM 0 HH22 ARG A 79 13.399 13.467 -10.431 1.00 2.22 H new ATOM 1250 N HIS A 80 13.542 10.297 -1.427 1.00 0.29 N ATOM 1251 CA HIS A 80 13.272 9.001 -0.746 1.00 0.27 C ATOM 1252 C HIS A 80 12.429 9.245 0.508 1.00 0.23 C ATOM 1253 O HIS A 80 11.427 8.595 0.730 1.00 0.23 O ATOM 1254 CB HIS A 80 14.595 8.344 -0.351 1.00 0.29 C ATOM 1255 CG HIS A 80 14.342 7.292 0.694 1.00 0.30 C ATOM 1256 ND1 HIS A 80 14.195 5.952 0.373 1.00 0.41 N ATOM 1257 CD2 HIS A 80 14.203 7.369 2.058 1.00 0.39 C ATOM 1258 CE1 HIS A 80 13.980 5.282 1.519 1.00 0.43 C ATOM 1259 NE2 HIS A 80 13.975 6.098 2.577 1.00 0.42 N ATOM 0 H HIS A 80 14.517 10.597 -1.418 1.00 0.29 H new ATOM 0 HA HIS A 80 12.729 8.344 -1.425 1.00 0.27 H new ATOM 0 HB2 HIS A 80 15.066 7.896 -1.226 1.00 0.29 H new ATOM 0 HB3 HIS A 80 15.285 9.095 0.034 1.00 0.29 H new ATOM 0 HD2 HIS A 80 14.262 8.277 2.639 1.00 0.39 H new ATOM 0 HE1 HIS A 80 13.830 4.214 1.577 1.00 0.43 H new ATOM 0 HE2 HIS A 80 13.834 5.844 3.555 1.00 0.42 H new ATOM 1267 N LYS A 81 12.828 10.176 1.331 1.00 0.25 N ATOM 1268 CA LYS A 81 12.048 10.460 2.568 1.00 0.27 C ATOM 1269 C LYS A 81 10.582 10.695 2.204 1.00 0.26 C ATOM 1270 O LYS A 81 9.685 10.113 2.782 1.00 0.28 O ATOM 1271 CB LYS A 81 12.606 11.712 3.249 1.00 0.32 C ATOM 1272 CG LYS A 81 13.926 11.377 3.951 1.00 0.40 C ATOM 1273 CD LYS A 81 13.704 11.323 5.464 1.00 0.97 C ATOM 1274 CE LYS A 81 15.027 11.016 6.165 1.00 1.22 C ATOM 1275 NZ LYS A 81 15.395 12.155 7.053 1.00 1.84 N ATOM 0 H LYS A 81 13.660 10.752 1.200 1.00 0.25 H new ATOM 0 HA LYS A 81 12.125 9.610 3.246 1.00 0.27 H new ATOM 0 HB2 LYS A 81 12.765 12.498 2.511 1.00 0.32 H new ATOM 0 HB3 LYS A 81 11.886 12.095 3.972 1.00 0.32 H new ATOM 0 HG2 LYS A 81 14.306 10.420 3.595 1.00 0.40 H new ATOM 0 HG3 LYS A 81 14.678 12.128 3.710 1.00 0.40 H new ATOM 0 HD2 LYS A 81 13.305 12.274 5.818 1.00 0.97 H new ATOM 0 HD3 LYS A 81 12.966 10.558 5.707 1.00 0.97 H new ATOM 0 HE2 LYS A 81 14.937 10.100 6.749 1.00 1.22 H new ATOM 0 HE3 LYS A 81 15.811 10.848 5.427 1.00 1.22 H new ATOM 0 HZ1 LYS A 81 16.295 11.946 7.530 1.00 1.84 H new ATOM 0 HZ2 LYS A 81 15.497 13.020 6.484 1.00 1.84 H new ATOM 0 HZ3 LYS A 81 14.650 12.295 7.765 1.00 1.84 H new ATOM 1289 N GLN A 82 10.331 11.548 1.251 1.00 0.27 N ATOM 1290 CA GLN A 82 8.924 11.829 0.849 1.00 0.30 C ATOM 1291 C GLN A 82 8.203 10.515 0.538 1.00 0.28 C ATOM 1292 O GLN A 82 7.039 10.347 0.846 1.00 0.35 O ATOM 1293 CB GLN A 82 8.923 12.720 -0.397 1.00 0.34 C ATOM 1294 CG GLN A 82 7.592 13.468 -0.499 1.00 0.66 C ATOM 1295 CD GLN A 82 7.637 14.427 -1.691 1.00 0.68 C ATOM 1296 OE1 GLN A 82 7.621 14.002 -2.828 1.00 1.35 O ATOM 1297 NE2 GLN A 82 7.697 15.713 -1.475 1.00 1.32 N ATOM 0 H GLN A 82 11.041 12.064 0.732 1.00 0.27 H new ATOM 0 HA GLN A 82 8.408 12.337 1.664 1.00 0.30 H new ATOM 0 HB2 GLN A 82 9.747 13.431 -0.347 1.00 0.34 H new ATOM 0 HB3 GLN A 82 9.079 12.113 -1.289 1.00 0.34 H new ATOM 0 HG2 GLN A 82 6.772 12.759 -0.619 1.00 0.66 H new ATOM 0 HG3 GLN A 82 7.402 14.022 0.420 1.00 0.66 H new ATOM 0 HE21 GLN A 82 7.710 16.070 -0.519 1.00 1.32 H new ATOM 0 HE22 GLN A 82 7.730 16.361 -2.262 1.00 1.32 H new ATOM 1306 N LEU A 83 8.884 9.582 -0.070 1.00 0.24 N ATOM 1307 CA LEU A 83 8.233 8.282 -0.400 1.00 0.24 C ATOM 1308 C LEU A 83 7.812 7.579 0.895 1.00 0.22 C ATOM 1309 O LEU A 83 6.657 7.257 1.091 1.00 0.22 O ATOM 1310 CB LEU A 83 9.226 7.398 -1.161 1.00 0.24 C ATOM 1311 CG LEU A 83 8.465 6.397 -2.034 1.00 0.27 C ATOM 1312 CD1 LEU A 83 9.461 5.537 -2.812 1.00 0.29 C ATOM 1313 CD2 LEU A 83 7.601 5.495 -1.150 1.00 0.26 C ATOM 0 H LEU A 83 9.861 9.663 -0.352 1.00 0.24 H new ATOM 0 HA LEU A 83 7.353 8.460 -1.019 1.00 0.24 H new ATOM 0 HB2 LEU A 83 9.875 8.016 -1.781 1.00 0.24 H new ATOM 0 HB3 LEU A 83 9.868 6.867 -0.458 1.00 0.24 H new ATOM 0 HG LEU A 83 7.828 6.941 -2.731 1.00 0.27 H new ATOM 0 HD11 LEU A 83 8.919 4.824 -3.433 1.00 0.29 H new ATOM 0 HD12 LEU A 83 10.076 6.176 -3.445 1.00 0.29 H new ATOM 0 HD13 LEU A 83 10.099 4.997 -2.113 1.00 0.29 H new ATOM 0 HD21 LEU A 83 7.061 4.784 -1.774 1.00 0.26 H new ATOM 0 HD22 LEU A 83 8.238 4.953 -0.451 1.00 0.26 H new ATOM 0 HD23 LEU A 83 6.888 6.105 -0.595 1.00 0.26 H new ATOM 1325 N ILE A 84 8.743 7.335 1.776 1.00 0.21 N ATOM 1326 CA ILE A 84 8.404 6.648 3.056 1.00 0.21 C ATOM 1327 C ILE A 84 7.170 7.297 3.685 1.00 0.21 C ATOM 1328 O ILE A 84 6.308 6.625 4.215 1.00 0.27 O ATOM 1329 CB ILE A 84 9.585 6.764 4.022 1.00 0.22 C ATOM 1330 CG1 ILE A 84 10.881 6.348 3.312 1.00 0.24 C ATOM 1331 CG2 ILE A 84 9.352 5.860 5.235 1.00 0.24 C ATOM 1332 CD1 ILE A 84 10.697 4.985 2.638 1.00 0.25 C ATOM 0 H ILE A 84 9.726 7.582 1.665 1.00 0.21 H new ATOM 0 HA ILE A 84 8.194 5.598 2.854 1.00 0.21 H new ATOM 0 HB ILE A 84 9.673 7.798 4.354 1.00 0.22 H new ATOM 0 HG12 ILE A 84 11.154 7.097 2.568 1.00 0.24 H new ATOM 0 HG13 ILE A 84 11.699 6.300 4.031 1.00 0.24 H new ATOM 0 HG21 ILE A 84 10.195 5.946 5.920 1.00 0.24 H new ATOM 0 HG22 ILE A 84 8.438 6.164 5.745 1.00 0.24 H new ATOM 0 HG23 ILE A 84 9.257 4.826 4.905 1.00 0.24 H new ATOM 0 HD11 ILE A 84 11.622 4.699 2.137 1.00 0.25 H new ATOM 0 HD12 ILE A 84 10.446 4.238 3.391 1.00 0.25 H new ATOM 0 HD13 ILE A 84 9.892 5.047 1.906 1.00 0.25 H new ATOM 1344 N ARG A 85 7.076 8.597 3.639 1.00 0.22 N ATOM 1345 CA ARG A 85 5.895 9.276 4.244 1.00 0.26 C ATOM 1346 C ARG A 85 4.626 8.849 3.507 1.00 0.25 C ATOM 1347 O ARG A 85 3.643 8.471 4.113 1.00 0.27 O ATOM 1348 CB ARG A 85 6.065 10.794 4.140 1.00 0.31 C ATOM 1349 CG ARG A 85 6.088 11.405 5.545 1.00 0.72 C ATOM 1350 CD ARG A 85 6.456 12.886 5.457 1.00 1.13 C ATOM 1351 NE ARG A 85 6.275 13.520 6.793 1.00 1.65 N ATOM 1352 CZ ARG A 85 6.830 14.672 7.048 1.00 2.32 C ATOM 1353 NH1 ARG A 85 7.556 15.263 6.139 1.00 2.78 N ATOM 1354 NH2 ARG A 85 6.664 15.232 8.216 1.00 3.05 N ATOM 0 H ARG A 85 7.763 9.217 3.210 1.00 0.22 H new ATOM 0 HA ARG A 85 5.815 8.994 5.294 1.00 0.26 H new ATOM 0 HB2 ARG A 85 6.990 11.032 3.614 1.00 0.31 H new ATOM 0 HB3 ARG A 85 5.248 11.223 3.559 1.00 0.31 H new ATOM 0 HG2 ARG A 85 5.113 11.290 6.018 1.00 0.72 H new ATOM 0 HG3 ARG A 85 6.809 10.878 6.170 1.00 0.72 H new ATOM 0 HD2 ARG A 85 7.489 12.997 5.126 1.00 1.13 H new ATOM 0 HD3 ARG A 85 5.829 13.385 4.717 1.00 1.13 H new ATOM 0 HE ARG A 85 5.717 13.053 7.508 1.00 1.65 H new ATOM 0 HH11 ARG A 85 7.690 14.824 5.228 1.00 2.78 H new ATOM 0 HH12 ARG A 85 7.990 16.164 6.339 1.00 2.78 H new ATOM 0 HH21 ARG A 85 6.100 14.768 8.928 1.00 3.05 H new ATOM 0 HH22 ARG A 85 7.098 16.133 8.416 1.00 3.05 H new ATOM 1368 N PHE A 86 4.635 8.904 2.205 1.00 0.25 N ATOM 1369 CA PHE A 86 3.426 8.497 1.439 1.00 0.28 C ATOM 1370 C PHE A 86 2.978 7.109 1.899 1.00 0.25 C ATOM 1371 O PHE A 86 1.804 6.855 2.088 1.00 0.30 O ATOM 1372 CB PHE A 86 3.756 8.465 -0.054 1.00 0.33 C ATOM 1373 CG PHE A 86 3.443 9.812 -0.662 1.00 0.37 C ATOM 1374 CD1 PHE A 86 2.118 10.252 -0.732 1.00 0.38 C ATOM 1375 CD2 PHE A 86 4.476 10.619 -1.156 1.00 0.47 C ATOM 1376 CE1 PHE A 86 1.822 11.500 -1.295 1.00 0.45 C ATOM 1377 CE2 PHE A 86 4.180 11.867 -1.719 1.00 0.53 C ATOM 1378 CZ PHE A 86 2.853 12.307 -1.789 1.00 0.51 C ATOM 0 H PHE A 86 5.426 9.213 1.639 1.00 0.25 H new ATOM 0 HA PHE A 86 2.623 9.213 1.614 1.00 0.28 H new ATOM 0 HB2 PHE A 86 4.808 8.222 -0.201 1.00 0.33 H new ATOM 0 HB3 PHE A 86 3.177 7.686 -0.550 1.00 0.33 H new ATOM 0 HD1 PHE A 86 1.322 9.629 -0.352 1.00 0.38 H new ATOM 0 HD2 PHE A 86 5.500 10.279 -1.103 1.00 0.47 H new ATOM 0 HE1 PHE A 86 0.798 11.839 -1.348 1.00 0.45 H new ATOM 0 HE2 PHE A 86 4.976 12.490 -2.099 1.00 0.53 H new ATOM 0 HZ PHE A 86 2.625 13.269 -2.224 1.00 0.51 H new ATOM 1388 N LEU A 87 3.905 6.209 2.088 1.00 0.23 N ATOM 1389 CA LEU A 87 3.534 4.839 2.544 1.00 0.25 C ATOM 1390 C LEU A 87 3.035 4.902 3.988 1.00 0.25 C ATOM 1391 O LEU A 87 1.990 4.376 4.318 1.00 0.35 O ATOM 1392 CB LEU A 87 4.761 3.925 2.472 1.00 0.28 C ATOM 1393 CG LEU A 87 5.206 3.766 1.013 1.00 0.46 C ATOM 1394 CD1 LEU A 87 6.497 2.947 0.963 1.00 0.42 C ATOM 1395 CD2 LEU A 87 4.119 3.045 0.205 1.00 0.74 C ATOM 0 H LEU A 87 4.903 6.363 1.946 1.00 0.23 H new ATOM 0 HA LEU A 87 2.747 4.444 1.901 1.00 0.25 H new ATOM 0 HB2 LEU A 87 5.573 4.344 3.066 1.00 0.28 H new ATOM 0 HB3 LEU A 87 4.525 2.950 2.898 1.00 0.28 H new ATOM 0 HG LEU A 87 5.375 4.753 0.584 1.00 0.46 H new ATOM 0 HD11 LEU A 87 6.815 2.833 -0.073 1.00 0.42 H new ATOM 0 HD12 LEU A 87 7.276 3.460 1.527 1.00 0.42 H new ATOM 0 HD13 LEU A 87 6.321 1.964 1.399 1.00 0.42 H new ATOM 0 HD21 LEU A 87 4.446 2.938 -0.829 1.00 0.74 H new ATOM 0 HD22 LEU A 87 3.941 2.059 0.634 1.00 0.74 H new ATOM 0 HD23 LEU A 87 3.197 3.626 0.236 1.00 0.74 H new ATOM 1407 N LYS A 88 3.774 5.542 4.851 1.00 0.23 N ATOM 1408 CA LYS A 88 3.344 5.639 6.274 1.00 0.26 C ATOM 1409 C LYS A 88 1.951 6.265 6.347 1.00 0.25 C ATOM 1410 O LYS A 88 1.254 6.138 7.335 1.00 0.29 O ATOM 1411 CB LYS A 88 4.335 6.515 7.047 1.00 0.29 C ATOM 1412 CG LYS A 88 5.280 5.640 7.868 1.00 0.63 C ATOM 1413 CD LYS A 88 6.200 6.538 8.694 1.00 0.84 C ATOM 1414 CE LYS A 88 7.134 5.674 9.535 1.00 0.96 C ATOM 1415 NZ LYS A 88 7.549 6.426 10.752 1.00 1.81 N ATOM 0 H LYS A 88 4.658 6.002 4.632 1.00 0.23 H new ATOM 0 HA LYS A 88 3.317 4.642 6.713 1.00 0.26 H new ATOM 0 HB2 LYS A 88 4.907 7.130 6.352 1.00 0.29 H new ATOM 0 HB3 LYS A 88 3.794 7.196 7.704 1.00 0.29 H new ATOM 0 HG2 LYS A 88 4.709 4.982 8.523 1.00 0.63 H new ATOM 0 HG3 LYS A 88 5.869 5.002 7.210 1.00 0.63 H new ATOM 0 HD2 LYS A 88 6.780 7.185 8.036 1.00 0.84 H new ATOM 0 HD3 LYS A 88 5.608 7.187 9.339 1.00 0.84 H new ATOM 0 HE2 LYS A 88 6.632 4.749 9.820 1.00 0.96 H new ATOM 0 HE3 LYS A 88 8.011 5.394 8.951 1.00 0.96 H new ATOM 0 HZ1 LYS A 88 8.186 5.836 11.324 1.00 1.81 H new ATOM 0 HZ2 LYS A 88 8.044 7.296 10.470 1.00 1.81 H new ATOM 0 HZ3 LYS A 88 6.708 6.672 11.312 1.00 1.81 H new ATOM 1429 N ARG A 89 1.537 6.944 5.312 1.00 0.24 N ATOM 1430 CA ARG A 89 0.188 7.578 5.332 1.00 0.24 C ATOM 1431 C ARG A 89 -0.870 6.549 4.930 1.00 0.22 C ATOM 1432 O ARG A 89 -1.644 6.093 5.747 1.00 0.24 O ATOM 1433 CB ARG A 89 0.158 8.755 4.354 1.00 0.28 C ATOM 1434 CG ARG A 89 -1.229 9.403 4.385 1.00 0.45 C ATOM 1435 CD ARG A 89 -1.197 10.737 3.635 1.00 0.74 C ATOM 1436 NE ARG A 89 -1.435 11.851 4.596 1.00 1.38 N ATOM 1437 CZ ARG A 89 -1.161 13.080 4.254 1.00 1.92 C ATOM 1438 NH1 ARG A 89 -0.670 13.333 3.071 1.00 1.94 N ATOM 1439 NH2 ARG A 89 -1.377 14.055 5.094 1.00 2.80 N ATOM 0 H ARG A 89 2.073 7.087 4.456 1.00 0.24 H new ATOM 0 HA ARG A 89 -0.025 7.940 6.338 1.00 0.24 H new ATOM 0 HB2 ARG A 89 0.920 9.486 4.624 1.00 0.28 H new ATOM 0 HB3 ARG A 89 0.389 8.411 3.346 1.00 0.28 H new ATOM 0 HG2 ARG A 89 -1.962 8.737 3.929 1.00 0.45 H new ATOM 0 HG3 ARG A 89 -1.542 9.563 5.417 1.00 0.45 H new ATOM 0 HD2 ARG A 89 -0.233 10.867 3.142 1.00 0.74 H new ATOM 0 HD3 ARG A 89 -1.958 10.746 2.855 1.00 0.74 H new ATOM 0 HE ARG A 89 -1.813 11.652 5.522 1.00 1.38 H new ATOM 0 HH11 ARG A 89 -0.501 12.570 2.415 1.00 1.94 H new ATOM 0 HH12 ARG A 89 -0.455 14.293 2.803 1.00 1.94 H new ATOM 0 HH21 ARG A 89 -1.760 13.856 6.018 1.00 2.80 H new ATOM 0 HH22 ARG A 89 -1.163 15.016 4.826 1.00 2.80 H new ATOM 1453 N LEU A 90 -0.916 6.179 3.678 1.00 0.22 N ATOM 1454 CA LEU A 90 -1.933 5.179 3.242 1.00 0.22 C ATOM 1455 C LEU A 90 -1.847 3.944 4.141 1.00 0.21 C ATOM 1456 O LEU A 90 -2.832 3.280 4.393 1.00 0.32 O ATOM 1457 CB LEU A 90 -1.689 4.780 1.782 1.00 0.24 C ATOM 1458 CG LEU A 90 -0.262 4.255 1.605 1.00 0.24 C ATOM 1459 CD1 LEU A 90 -0.284 2.726 1.528 1.00 0.28 C ATOM 1460 CD2 LEU A 90 0.323 4.818 0.307 1.00 0.27 C ATOM 0 H LEU A 90 -0.298 6.523 2.943 1.00 0.22 H new ATOM 0 HA LEU A 90 -2.927 5.619 3.322 1.00 0.22 H new ATOM 0 HB2 LEU A 90 -2.405 4.014 1.483 1.00 0.24 H new ATOM 0 HB3 LEU A 90 -1.851 5.639 1.131 1.00 0.24 H new ATOM 0 HG LEU A 90 0.349 4.567 2.452 1.00 0.24 H new ATOM 0 HD11 LEU A 90 0.733 2.353 1.402 1.00 0.28 H new ATOM 0 HD12 LEU A 90 -0.707 2.321 2.447 1.00 0.28 H new ATOM 0 HD13 LEU A 90 -0.893 2.413 0.680 1.00 0.28 H new ATOM 0 HD21 LEU A 90 1.340 4.448 0.175 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -0.291 4.501 -0.536 1.00 0.27 H new ATOM 0 HD23 LEU A 90 0.337 5.907 0.356 1.00 0.27 H new ATOM 1472 N ASP A 91 -0.679 3.633 4.633 1.00 0.23 N ATOM 1473 CA ASP A 91 -0.541 2.445 5.520 1.00 0.24 C ATOM 1474 C ASP A 91 -1.537 2.561 6.676 1.00 0.22 C ATOM 1475 O ASP A 91 -2.101 1.584 7.125 1.00 0.25 O ATOM 1476 CB ASP A 91 0.883 2.388 6.080 1.00 0.29 C ATOM 1477 CG ASP A 91 1.005 1.216 7.056 1.00 0.36 C ATOM 1478 OD1 ASP A 91 0.251 1.188 8.014 1.00 1.02 O ATOM 1479 OD2 ASP A 91 1.850 0.367 6.828 1.00 1.22 O ATOM 0 H ASP A 91 0.183 4.149 4.459 1.00 0.23 H new ATOM 0 HA ASP A 91 -0.743 1.538 4.950 1.00 0.24 H new ATOM 0 HB2 ASP A 91 1.600 2.273 5.267 1.00 0.29 H new ATOM 0 HB3 ASP A 91 1.123 3.323 6.587 1.00 0.29 H new ATOM 1484 N ARG A 92 -1.757 3.754 7.157 1.00 0.22 N ATOM 1485 CA ARG A 92 -2.717 3.945 8.283 1.00 0.24 C ATOM 1486 C ARG A 92 -4.144 3.980 7.735 1.00 0.23 C ATOM 1487 O ARG A 92 -5.047 3.381 8.283 1.00 0.27 O ATOM 1488 CB ARG A 92 -2.411 5.270 8.984 1.00 0.30 C ATOM 1489 CG ARG A 92 -0.990 5.236 9.561 1.00 0.37 C ATOM 1490 CD ARG A 92 -0.926 4.325 10.795 1.00 0.79 C ATOM 1491 NE ARG A 92 -0.243 5.052 11.904 1.00 1.65 N ATOM 1492 CZ ARG A 92 -0.333 4.612 13.129 1.00 2.27 C ATOM 1493 NH1 ARG A 92 -1.034 3.543 13.391 1.00 2.28 N ATOM 1494 NH2 ARG A 92 0.275 5.246 14.095 1.00 3.24 N ATOM 0 H ARG A 92 -1.312 4.607 6.818 1.00 0.22 H new ATOM 0 HA ARG A 92 -2.620 3.122 8.991 1.00 0.24 H new ATOM 0 HB2 ARG A 92 -2.508 6.096 8.279 1.00 0.30 H new ATOM 0 HB3 ARG A 92 -3.133 5.445 9.781 1.00 0.30 H new ATOM 0 HG2 ARG A 92 -0.293 4.879 8.803 1.00 0.37 H new ATOM 0 HG3 ARG A 92 -0.678 6.245 9.831 1.00 0.37 H new ATOM 0 HD2 ARG A 92 -1.931 4.033 11.100 1.00 0.79 H new ATOM 0 HD3 ARG A 92 -0.386 3.408 10.558 1.00 0.79 H new ATOM 0 HE ARG A 92 0.296 5.895 11.704 1.00 1.65 H new ATOM 0 HH11 ARG A 92 -1.513 3.050 12.637 1.00 2.28 H new ATOM 0 HH12 ARG A 92 -1.103 3.201 14.349 1.00 2.28 H new ATOM 0 HH21 ARG A 92 0.819 6.084 13.892 1.00 3.24 H new ATOM 0 HH22 ARG A 92 0.205 4.903 15.053 1.00 3.24 H new ATOM 1508 N ASN A 93 -4.350 4.682 6.656 1.00 0.21 N ATOM 1509 CA ASN A 93 -5.716 4.767 6.067 1.00 0.21 C ATOM 1510 C ASN A 93 -6.274 3.356 5.855 1.00 0.21 C ATOM 1511 O ASN A 93 -7.417 3.080 6.163 1.00 0.29 O ATOM 1512 CB ASN A 93 -5.646 5.496 4.723 1.00 0.23 C ATOM 1513 CG ASN A 93 -5.002 6.869 4.920 1.00 0.31 C ATOM 1514 OD1 ASN A 93 -4.325 7.367 4.043 1.00 0.97 O ATOM 1515 ND2 ASN A 93 -5.187 7.508 6.042 1.00 1.19 N ATOM 0 H ASN A 93 -3.630 5.202 6.155 1.00 0.21 H new ATOM 0 HA ASN A 93 -6.370 5.315 6.746 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -5.067 4.910 4.009 1.00 0.23 H new ATOM 0 HB3 ASN A 93 -6.647 5.608 4.306 1.00 0.23 H new ATOM 0 HD21 ASN A 93 -4.763 8.425 6.182 1.00 1.19 H new ATOM 0 HD22 ASN A 93 -5.755 7.091 6.779 1.00 1.19 H new ATOM 1522 N LEU A 94 -5.481 2.463 5.331 1.00 0.21 N ATOM 1523 CA LEU A 94 -5.972 1.074 5.102 1.00 0.24 C ATOM 1524 C LEU A 94 -6.280 0.412 6.446 1.00 0.25 C ATOM 1525 O LEU A 94 -7.413 0.083 6.742 1.00 0.37 O ATOM 1526 CB LEU A 94 -4.896 0.265 4.371 1.00 0.27 C ATOM 1527 CG LEU A 94 -4.603 0.899 3.004 1.00 0.28 C ATOM 1528 CD1 LEU A 94 -3.486 0.123 2.302 1.00 0.41 C ATOM 1529 CD2 LEU A 94 -5.863 0.864 2.132 1.00 0.40 C ATOM 0 H LEU A 94 -4.515 2.634 5.052 1.00 0.21 H new ATOM 0 HA LEU A 94 -6.878 1.106 4.496 1.00 0.24 H new ATOM 0 HB2 LEU A 94 -3.985 0.232 4.969 1.00 0.27 H new ATOM 0 HB3 LEU A 94 -5.229 -0.765 4.240 1.00 0.27 H new ATOM 0 HG LEU A 94 -4.292 1.933 3.154 1.00 0.28 H new ATOM 0 HD11 LEU A 94 -3.282 0.577 1.332 1.00 0.41 H new ATOM 0 HD12 LEU A 94 -2.584 0.151 2.913 1.00 0.41 H new ATOM 0 HD13 LEU A 94 -3.796 -0.912 2.160 1.00 0.41 H new ATOM 0 HD21 LEU A 94 -5.648 1.315 1.164 1.00 0.40 H new ATOM 0 HD22 LEU A 94 -6.178 -0.170 1.989 1.00 0.40 H new ATOM 0 HD23 LEU A 94 -6.661 1.421 2.623 1.00 0.40 H new ATOM 1541 N TRP A 95 -5.282 0.211 7.264 1.00 0.25 N ATOM 1542 CA TRP A 95 -5.521 -0.433 8.587 1.00 0.27 C ATOM 1543 C TRP A 95 -6.559 0.374 9.372 1.00 0.28 C ATOM 1544 O TRP A 95 -7.023 -0.043 10.414 1.00 0.33 O ATOM 1545 CB TRP A 95 -4.213 -0.479 9.377 1.00 0.31 C ATOM 1546 CG TRP A 95 -4.476 -1.037 10.739 1.00 0.31 C ATOM 1547 CD1 TRP A 95 -4.789 -0.303 11.831 1.00 0.37 C ATOM 1548 CD2 TRP A 95 -4.458 -2.427 11.172 1.00 0.30 C ATOM 1549 NE1 TRP A 95 -4.964 -1.155 12.908 1.00 0.38 N ATOM 1550 CE2 TRP A 95 -4.771 -2.475 12.551 1.00 0.33 C ATOM 1551 CE3 TRP A 95 -4.203 -3.642 10.508 1.00 0.33 C ATOM 1552 CZ2 TRP A 95 -4.829 -3.683 13.247 1.00 0.36 C ATOM 1553 CZ3 TRP A 95 -4.261 -4.859 11.205 1.00 0.38 C ATOM 1554 CH2 TRP A 95 -4.572 -4.879 12.573 1.00 0.39 C ATOM 0 H TRP A 95 -4.313 0.465 7.073 1.00 0.25 H new ATOM 0 HA TRP A 95 -5.890 -1.447 8.432 1.00 0.27 H new ATOM 0 HB2 TRP A 95 -3.481 -1.095 8.855 1.00 0.31 H new ATOM 0 HB3 TRP A 95 -3.788 0.522 9.457 1.00 0.31 H new ATOM 0 HD1 TRP A 95 -4.886 0.772 11.858 1.00 0.37 H new ATOM 0 HE1 TRP A 95 -5.206 -0.846 13.849 1.00 0.38 H new ATOM 0 HE3 TRP A 95 -3.961 -3.638 9.455 1.00 0.33 H new ATOM 0 HZ2 TRP A 95 -5.071 -3.693 14.300 1.00 0.36 H new ATOM 0 HZ3 TRP A 95 -4.065 -5.785 10.685 1.00 0.38 H new ATOM 0 HH2 TRP A 95 -4.613 -5.818 13.104 1.00 0.39 H new ATOM 1565 N GLY A 96 -6.923 1.528 8.881 1.00 0.27 N ATOM 1566 CA GLY A 96 -7.927 2.359 9.604 1.00 0.31 C ATOM 1567 C GLY A 96 -9.331 1.806 9.356 1.00 0.33 C ATOM 1568 O GLY A 96 -9.980 1.306 10.253 1.00 0.40 O ATOM 0 H GLY A 96 -6.569 1.930 8.013 1.00 0.27 H new ATOM 0 HA2 GLY A 96 -7.710 2.361 10.672 1.00 0.31 H new ATOM 0 HA3 GLY A 96 -7.868 3.393 9.265 1.00 0.31 H new ATOM 1572 N LEU A 97 -9.806 1.895 8.144 1.00 0.34 N ATOM 1573 CA LEU A 97 -11.171 1.379 7.837 1.00 0.41 C ATOM 1574 C LEU A 97 -11.230 -0.125 8.113 1.00 0.41 C ATOM 1575 O LEU A 97 -12.271 -0.743 8.008 1.00 0.45 O ATOM 1576 CB LEU A 97 -11.512 1.656 6.367 1.00 0.45 C ATOM 1577 CG LEU A 97 -10.395 1.130 5.447 1.00 0.40 C ATOM 1578 CD1 LEU A 97 -10.449 -0.402 5.334 1.00 0.48 C ATOM 1579 CD2 LEU A 97 -10.564 1.743 4.055 1.00 0.46 C ATOM 0 H LEU A 97 -9.308 2.303 7.353 1.00 0.34 H new ATOM 0 HA LEU A 97 -11.898 1.886 8.472 1.00 0.41 H new ATOM 0 HB2 LEU A 97 -12.458 1.179 6.111 1.00 0.45 H new ATOM 0 HB3 LEU A 97 -11.644 2.727 6.213 1.00 0.45 H new ATOM 0 HG LEU A 97 -9.432 1.411 5.873 1.00 0.40 H new ATOM 0 HD11 LEU A 97 -9.649 -0.747 4.679 1.00 0.48 H new ATOM 0 HD12 LEU A 97 -10.324 -0.844 6.322 1.00 0.48 H new ATOM 0 HD13 LEU A 97 -11.412 -0.703 4.921 1.00 0.48 H new ATOM 0 HD21 LEU A 97 -9.776 1.375 3.397 1.00 0.46 H new ATOM 0 HD22 LEU A 97 -11.536 1.462 3.649 1.00 0.46 H new ATOM 0 HD23 LEU A 97 -10.500 2.829 4.125 1.00 0.46 H new ATOM 1591 N ALA A 98 -10.125 -0.720 8.472 1.00 0.38 N ATOM 1592 CA ALA A 98 -10.129 -2.182 8.762 1.00 0.42 C ATOM 1593 C ALA A 98 -10.620 -2.414 10.193 1.00 0.43 C ATOM 1594 O ALA A 98 -11.664 -2.997 10.414 1.00 0.50 O ATOM 1595 CB ALA A 98 -8.711 -2.736 8.614 1.00 0.44 C ATOM 0 H ALA A 98 -9.222 -0.258 8.577 1.00 0.38 H new ATOM 0 HA ALA A 98 -10.792 -2.690 8.062 1.00 0.42 H new ATOM 0 HB1 ALA A 98 -8.714 -3.805 8.826 1.00 0.44 H new ATOM 0 HB2 ALA A 98 -8.360 -2.569 7.596 1.00 0.44 H new ATOM 0 HB3 ALA A 98 -8.047 -2.229 9.315 1.00 0.44 H new ATOM 1601 N GLY A 99 -9.879 -1.959 11.166 1.00 0.42 N ATOM 1602 CA GLY A 99 -10.305 -2.151 12.582 1.00 0.47 C ATOM 1603 C GLY A 99 -10.167 -3.625 12.965 1.00 0.50 C ATOM 1604 O GLY A 99 -10.963 -4.158 13.711 1.00 0.83 O ATOM 0 H GLY A 99 -8.997 -1.462 11.042 1.00 0.42 H new ATOM 0 HA2 GLY A 99 -9.695 -1.535 13.242 1.00 0.47 H new ATOM 0 HA3 GLY A 99 -11.338 -1.827 12.708 1.00 0.47 H new ATOM 1608 N LEU A 100 -9.160 -4.286 12.458 1.00 0.37 N ATOM 1609 CA LEU A 100 -8.965 -5.727 12.789 1.00 0.38 C ATOM 1610 C LEU A 100 -7.921 -5.861 13.900 1.00 0.39 C ATOM 1611 O LEU A 100 -6.873 -5.249 13.856 1.00 0.62 O ATOM 1612 CB LEU A 100 -8.478 -6.471 11.544 1.00 0.38 C ATOM 1613 CG LEU A 100 -9.619 -7.310 10.968 1.00 0.54 C ATOM 1614 CD1 LEU A 100 -9.237 -7.797 9.571 1.00 0.71 C ATOM 1615 CD2 LEU A 100 -9.880 -8.519 11.874 1.00 0.66 C ATOM 0 H LEU A 100 -8.463 -3.889 11.828 1.00 0.37 H new ATOM 0 HA LEU A 100 -9.910 -6.153 13.126 1.00 0.38 H new ATOM 0 HB2 LEU A 100 -8.124 -5.759 10.798 1.00 0.38 H new ATOM 0 HB3 LEU A 100 -7.634 -7.112 11.798 1.00 0.38 H new ATOM 0 HG LEU A 100 -10.521 -6.700 10.910 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -10.050 -8.395 9.159 1.00 0.71 H new ATOM 0 HD12 LEU A 100 -9.054 -6.939 8.924 1.00 0.71 H new ATOM 0 HD13 LEU A 100 -8.334 -8.405 9.632 1.00 0.71 H new ATOM 0 HD21 LEU A 100 -10.694 -9.115 11.460 1.00 0.66 H new ATOM 0 HD22 LEU A 100 -8.979 -9.129 11.935 1.00 0.66 H new ATOM 0 HD23 LEU A 100 -10.153 -8.174 12.871 1.00 0.66 H new ATOM 1627 N ASN A 101 -8.198 -6.658 14.894 1.00 0.35 N ATOM 1628 CA ASN A 101 -7.220 -6.833 16.005 1.00 0.37 C ATOM 1629 C ASN A 101 -6.239 -7.950 15.642 1.00 0.31 C ATOM 1630 O ASN A 101 -5.066 -7.715 15.429 1.00 0.37 O ATOM 1631 CB ASN A 101 -7.965 -7.206 17.289 1.00 0.47 C ATOM 1632 CG ASN A 101 -7.642 -6.185 18.382 1.00 1.13 C ATOM 1633 OD1 ASN A 101 -7.345 -6.551 19.502 1.00 1.73 O ATOM 1634 ND2 ASN A 101 -7.689 -4.911 18.103 1.00 1.84 N ATOM 0 H ASN A 101 -9.060 -7.196 14.986 1.00 0.35 H new ATOM 0 HA ASN A 101 -6.675 -5.902 16.161 1.00 0.37 H new ATOM 0 HB2 ASN A 101 -9.039 -7.230 17.105 1.00 0.47 H new ATOM 0 HB3 ASN A 101 -7.675 -8.205 17.613 1.00 0.47 H new ATOM 0 HD21 ASN A 101 -7.476 -4.223 18.825 1.00 1.84 H new ATOM 0 HD22 ASN A 101 -7.938 -4.604 17.163 1.00 1.84 H new ATOM 1641 N SER A 102 -6.711 -9.165 15.571 1.00 0.37 N ATOM 1642 CA SER A 102 -5.807 -10.296 15.221 1.00 0.38 C ATOM 1643 C SER A 102 -5.772 -10.468 13.702 1.00 0.32 C ATOM 1644 O SER A 102 -6.796 -10.552 13.053 1.00 0.36 O ATOM 1645 CB SER A 102 -6.324 -11.582 15.866 1.00 0.51 C ATOM 1646 OG SER A 102 -6.186 -11.487 17.278 1.00 1.47 O ATOM 0 H SER A 102 -7.683 -9.423 15.740 1.00 0.37 H new ATOM 0 HA SER A 102 -4.803 -10.084 15.588 1.00 0.38 H new ATOM 0 HB2 SER A 102 -7.369 -11.741 15.601 1.00 0.51 H new ATOM 0 HB3 SER A 102 -5.766 -12.440 15.491 1.00 0.51 H new ATOM 0 HG SER A 102 -6.518 -12.309 17.695 1.00 1.47 H new ATOM 1652 N CYS A 103 -4.602 -10.522 13.128 1.00 0.29 N ATOM 1653 CA CYS A 103 -4.505 -10.691 11.651 1.00 0.26 C ATOM 1654 C CYS A 103 -3.109 -11.209 11.278 1.00 0.27 C ATOM 1655 O CYS A 103 -2.354 -10.512 10.631 1.00 0.31 O ATOM 1656 CB CYS A 103 -4.735 -9.337 10.976 1.00 0.29 C ATOM 1657 SG CYS A 103 -4.795 -9.558 9.180 1.00 0.24 S ATOM 0 H CYS A 103 -3.710 -10.456 13.617 1.00 0.29 H new ATOM 0 HA CYS A 103 -5.257 -11.407 11.318 1.00 0.26 H new ATOM 0 HB2 CYS A 103 -5.667 -8.896 11.330 1.00 0.29 H new ATOM 0 HB3 CYS A 103 -3.935 -8.646 11.241 1.00 0.29 H new ATOM 1662 N PRO A 104 -2.800 -12.416 11.695 1.00 0.27 N ATOM 1663 CA PRO A 104 -1.490 -13.022 11.400 1.00 0.32 C ATOM 1664 C PRO A 104 -1.304 -13.165 9.888 1.00 0.35 C ATOM 1665 O PRO A 104 -2.247 -13.391 9.155 1.00 0.35 O ATOM 1666 CB PRO A 104 -1.531 -14.401 12.071 1.00 0.33 C ATOM 1667 CG PRO A 104 -2.912 -14.550 12.757 1.00 0.30 C ATOM 1668 CD PRO A 104 -3.713 -13.269 12.483 1.00 0.26 C ATOM 0 HA PRO A 104 -0.661 -12.416 11.766 1.00 0.32 H new ATOM 0 HB2 PRO A 104 -1.383 -15.190 11.333 1.00 0.33 H new ATOM 0 HB3 PRO A 104 -0.728 -14.494 12.803 1.00 0.33 H new ATOM 0 HG2 PRO A 104 -3.440 -15.421 12.368 1.00 0.30 H new ATOM 0 HG3 PRO A 104 -2.791 -14.703 13.829 1.00 0.30 H new ATOM 0 HD2 PRO A 104 -4.628 -13.485 11.931 1.00 0.26 H new ATOM 0 HD3 PRO A 104 -4.008 -12.781 13.412 1.00 0.26 H new ATOM 1676 N VAL A 105 -0.095 -13.038 9.416 1.00 0.42 N ATOM 1677 CA VAL A 105 0.148 -13.167 7.951 1.00 0.47 C ATOM 1678 C VAL A 105 0.416 -14.634 7.608 1.00 0.50 C ATOM 1679 O VAL A 105 0.940 -15.380 8.412 1.00 0.58 O ATOM 1680 CB VAL A 105 1.360 -12.320 7.556 1.00 0.59 C ATOM 1681 CG1 VAL A 105 2.598 -12.830 8.296 1.00 0.65 C ATOM 1682 CG2 VAL A 105 1.592 -12.426 6.046 1.00 0.71 C ATOM 0 H VAL A 105 0.734 -12.851 9.980 1.00 0.42 H new ATOM 0 HA VAL A 105 -0.729 -12.819 7.405 1.00 0.47 H new ATOM 0 HB VAL A 105 1.176 -11.279 7.822 1.00 0.59 H new ATOM 0 HG11 VAL A 105 3.463 -12.228 8.016 1.00 0.65 H new ATOM 0 HG12 VAL A 105 2.436 -12.755 9.371 1.00 0.65 H new ATOM 0 HG13 VAL A 105 2.779 -13.871 8.028 1.00 0.65 H new ATOM 0 HG21 VAL A 105 2.455 -11.822 5.767 1.00 0.71 H new ATOM 0 HG22 VAL A 105 1.775 -13.467 5.778 1.00 0.71 H new ATOM 0 HG23 VAL A 105 0.710 -12.065 5.516 1.00 0.71 H new ATOM 1692 N LYS A 106 0.061 -15.047 6.421 1.00 0.68 N ATOM 1693 CA LYS A 106 0.291 -16.464 6.013 1.00 0.73 C ATOM 1694 C LYS A 106 1.498 -16.532 5.072 1.00 0.69 C ATOM 1695 O LYS A 106 2.547 -15.995 5.361 1.00 0.77 O ATOM 1696 CB LYS A 106 -0.955 -16.989 5.297 1.00 0.78 C ATOM 1697 CG LYS A 106 -0.951 -18.519 5.319 1.00 1.21 C ATOM 1698 CD LYS A 106 -1.885 -19.048 4.230 1.00 1.44 C ATOM 1699 CE LYS A 106 -1.995 -20.570 4.347 1.00 1.81 C ATOM 1700 NZ LYS A 106 -2.902 -20.917 5.478 1.00 2.55 N ATOM 0 H LYS A 106 -0.381 -14.461 5.713 1.00 0.68 H new ATOM 0 HA LYS A 106 0.488 -17.076 6.893 1.00 0.73 H new ATOM 0 HB2 LYS A 106 -1.854 -16.610 5.784 1.00 0.78 H new ATOM 0 HB3 LYS A 106 -0.974 -16.630 4.268 1.00 0.78 H new ATOM 0 HG2 LYS A 106 0.060 -18.893 5.159 1.00 1.21 H new ATOM 0 HG3 LYS A 106 -1.273 -18.880 6.296 1.00 1.21 H new ATOM 0 HD2 LYS A 106 -2.871 -18.593 4.329 1.00 1.44 H new ATOM 0 HD3 LYS A 106 -1.505 -18.775 3.246 1.00 1.44 H new ATOM 0 HE2 LYS A 106 -2.378 -20.990 3.417 1.00 1.81 H new ATOM 0 HE3 LYS A 106 -1.009 -21.005 4.511 1.00 1.81 H new ATOM 0 HZ1 LYS A 106 -3.139 -21.929 5.435 1.00 2.55 H new ATOM 0 HZ2 LYS A 106 -2.427 -20.711 6.380 1.00 2.55 H new ATOM 0 HZ3 LYS A 106 -3.774 -20.354 5.409 1.00 2.55 H new ATOM 1714 N GLU A 107 1.350 -17.188 3.947 1.00 0.69 N ATOM 1715 CA GLU A 107 2.479 -17.297 2.975 1.00 0.68 C ATOM 1716 C GLU A 107 1.989 -16.884 1.586 1.00 0.49 C ATOM 1717 O GLU A 107 0.804 -16.776 1.343 1.00 0.75 O ATOM 1718 CB GLU A 107 2.978 -18.744 2.926 1.00 0.95 C ATOM 1719 CG GLU A 107 3.628 -19.119 4.261 1.00 1.32 C ATOM 1720 CD GLU A 107 4.532 -20.337 4.062 1.00 1.86 C ATOM 1721 OE1 GLU A 107 4.032 -21.356 3.616 1.00 2.52 O ATOM 1722 OE2 GLU A 107 5.711 -20.230 4.359 1.00 2.26 O ATOM 0 H GLU A 107 0.490 -17.655 3.660 1.00 0.69 H new ATOM 0 HA GLU A 107 3.293 -16.644 3.289 1.00 0.68 H new ATOM 0 HB2 GLU A 107 2.147 -19.417 2.715 1.00 0.95 H new ATOM 0 HB3 GLU A 107 3.698 -18.862 2.116 1.00 0.95 H new ATOM 0 HG2 GLU A 107 4.209 -18.280 4.644 1.00 1.32 H new ATOM 0 HG3 GLU A 107 2.860 -19.340 5.003 1.00 1.32 H new ATOM 1729 N ALA A 108 2.893 -16.652 0.673 1.00 0.42 N ATOM 1730 CA ALA A 108 2.478 -16.246 -0.698 1.00 0.49 C ATOM 1731 C ALA A 108 3.678 -16.345 -1.643 1.00 0.46 C ATOM 1732 O ALA A 108 4.759 -16.736 -1.250 1.00 0.56 O ATOM 1733 CB ALA A 108 1.967 -14.805 -0.671 1.00 0.77 C ATOM 0 H ALA A 108 3.900 -16.726 0.818 1.00 0.42 H new ATOM 0 HA ALA A 108 1.684 -16.905 -1.048 1.00 0.49 H new ATOM 0 HB1 ALA A 108 1.663 -14.508 -1.675 1.00 0.77 H new ATOM 0 HB2 ALA A 108 1.113 -14.734 0.002 1.00 0.77 H new ATOM 0 HB3 ALA A 108 2.760 -14.144 -0.321 1.00 0.77 H new ATOM 1739 N ASP A 109 3.496 -15.993 -2.887 1.00 0.43 N ATOM 1740 CA ASP A 109 4.626 -16.069 -3.854 1.00 0.50 C ATOM 1741 C ASP A 109 5.480 -14.803 -3.743 1.00 0.46 C ATOM 1742 O ASP A 109 6.232 -14.630 -2.805 1.00 0.55 O ATOM 1743 CB ASP A 109 4.074 -16.189 -5.276 1.00 0.59 C ATOM 1744 CG ASP A 109 3.371 -17.538 -5.438 1.00 0.66 C ATOM 1745 OD1 ASP A 109 3.310 -18.272 -4.466 1.00 1.26 O ATOM 1746 OD2 ASP A 109 2.905 -17.812 -6.532 1.00 1.15 O ATOM 0 H ASP A 109 2.614 -15.657 -3.274 1.00 0.43 H new ATOM 0 HA ASP A 109 5.239 -16.941 -3.628 1.00 0.50 H new ATOM 0 HB2 ASP A 109 3.376 -15.377 -5.476 1.00 0.59 H new ATOM 0 HB3 ASP A 109 4.883 -16.099 -6.001 1.00 0.59 H new ATOM 1751 N GLN A 110 5.371 -13.919 -4.696 1.00 0.43 N ATOM 1752 CA GLN A 110 6.177 -12.666 -4.646 1.00 0.41 C ATOM 1753 C GLN A 110 5.683 -11.699 -5.724 1.00 0.35 C ATOM 1754 O GLN A 110 5.027 -12.091 -6.669 1.00 0.39 O ATOM 1755 CB GLN A 110 7.651 -13.001 -4.894 1.00 0.52 C ATOM 1756 CG GLN A 110 8.526 -12.275 -3.869 1.00 0.98 C ATOM 1757 CD GLN A 110 9.992 -12.648 -4.096 1.00 1.39 C ATOM 1758 OE1 GLN A 110 10.801 -11.804 -4.423 1.00 2.09 O ATOM 1759 NE2 GLN A 110 10.369 -13.887 -3.937 1.00 1.76 N ATOM 0 H GLN A 110 4.759 -14.010 -5.507 1.00 0.43 H new ATOM 0 HA GLN A 110 6.070 -12.201 -3.666 1.00 0.41 H new ATOM 0 HB2 GLN A 110 7.806 -14.077 -4.821 1.00 0.52 H new ATOM 0 HB3 GLN A 110 7.936 -12.705 -5.904 1.00 0.52 H new ATOM 0 HG2 GLN A 110 8.395 -11.197 -3.962 1.00 0.98 H new ATOM 0 HG3 GLN A 110 8.223 -12.547 -2.858 1.00 0.98 H new ATOM 0 HE21 GLN A 110 9.689 -14.596 -3.662 1.00 1.76 H new ATOM 0 HE22 GLN A 110 11.344 -14.147 -4.087 1.00 1.76 H new ATOM 1768 N SER A 111 5.994 -10.439 -5.591 1.00 0.33 N ATOM 1769 CA SER A 111 5.540 -9.450 -6.610 1.00 0.31 C ATOM 1770 C SER A 111 6.398 -8.186 -6.511 1.00 0.28 C ATOM 1771 O SER A 111 6.925 -7.862 -5.466 1.00 0.40 O ATOM 1772 CB SER A 111 4.076 -9.092 -6.357 1.00 0.37 C ATOM 1773 OG SER A 111 3.933 -8.617 -5.024 1.00 0.46 O ATOM 0 H SER A 111 6.542 -10.052 -4.823 1.00 0.33 H new ATOM 0 HA SER A 111 5.641 -9.882 -7.606 1.00 0.31 H new ATOM 0 HB2 SER A 111 3.748 -8.330 -7.064 1.00 0.37 H new ATOM 0 HB3 SER A 111 3.443 -9.966 -6.514 1.00 0.37 H new ATOM 0 HG SER A 111 3.035 -8.832 -4.695 1.00 0.46 H new ATOM 1779 N THR A 112 6.540 -7.468 -7.592 1.00 0.28 N ATOM 1780 CA THR A 112 7.361 -6.225 -7.559 1.00 0.25 C ATOM 1781 C THR A 112 6.511 -5.069 -7.026 1.00 0.23 C ATOM 1782 O THR A 112 5.334 -4.972 -7.305 1.00 0.27 O ATOM 1783 CB THR A 112 7.847 -5.892 -8.973 1.00 0.28 C ATOM 1784 OG1 THR A 112 6.738 -5.896 -9.863 1.00 0.36 O ATOM 1785 CG2 THR A 112 8.871 -6.933 -9.430 1.00 0.33 C ATOM 0 H THR A 112 6.123 -7.689 -8.496 1.00 0.28 H new ATOM 0 HA THR A 112 8.222 -6.376 -6.908 1.00 0.25 H new ATOM 0 HB THR A 112 8.315 -4.907 -8.971 1.00 0.28 H new ATOM 0 HG1 THR A 112 7.045 -5.682 -10.769 1.00 0.36 H new ATOM 0 HG21 THR A 112 9.212 -6.690 -10.436 1.00 0.33 H new ATOM 0 HG22 THR A 112 9.721 -6.931 -8.748 1.00 0.33 H new ATOM 0 HG23 THR A 112 8.410 -7.921 -9.432 1.00 0.33 H new ATOM 1793 N LEU A 113 7.100 -4.191 -6.263 1.00 0.21 N ATOM 1794 CA LEU A 113 6.327 -3.040 -5.713 1.00 0.21 C ATOM 1795 C LEU A 113 5.533 -2.373 -6.839 1.00 0.21 C ATOM 1796 O LEU A 113 4.459 -1.846 -6.625 1.00 0.25 O ATOM 1797 CB LEU A 113 7.301 -2.025 -5.102 1.00 0.22 C ATOM 1798 CG LEU A 113 6.524 -0.925 -4.363 1.00 0.25 C ATOM 1799 CD1 LEU A 113 5.935 -1.463 -3.052 1.00 0.34 C ATOM 1800 CD2 LEU A 113 7.473 0.233 -4.050 1.00 0.30 C ATOM 0 H LEU A 113 8.084 -4.220 -5.996 1.00 0.21 H new ATOM 0 HA LEU A 113 5.638 -3.394 -4.946 1.00 0.21 H new ATOM 0 HB2 LEU A 113 7.978 -2.529 -4.412 1.00 0.22 H new ATOM 0 HB3 LEU A 113 7.916 -1.583 -5.886 1.00 0.22 H new ATOM 0 HG LEU A 113 5.707 -0.584 -4.999 1.00 0.25 H new ATOM 0 HD11 LEU A 113 5.389 -0.667 -2.545 1.00 0.34 H new ATOM 0 HD12 LEU A 113 5.256 -2.288 -3.269 1.00 0.34 H new ATOM 0 HD13 LEU A 113 6.741 -1.817 -2.409 1.00 0.34 H new ATOM 0 HD21 LEU A 113 6.928 1.018 -3.525 1.00 0.30 H new ATOM 0 HD22 LEU A 113 8.289 -0.125 -3.422 1.00 0.30 H new ATOM 0 HD23 LEU A 113 7.879 0.632 -4.980 1.00 0.30 H new ATOM 1812 N GLU A 114 6.052 -2.385 -8.037 1.00 0.22 N ATOM 1813 CA GLU A 114 5.323 -1.744 -9.168 1.00 0.24 C ATOM 1814 C GLU A 114 4.059 -2.548 -9.485 1.00 0.24 C ATOM 1815 O GLU A 114 2.960 -2.144 -9.162 1.00 0.26 O ATOM 1816 CB GLU A 114 6.229 -1.702 -10.400 1.00 0.27 C ATOM 1817 CG GLU A 114 5.564 -0.869 -11.500 1.00 0.32 C ATOM 1818 CD GLU A 114 6.583 -0.562 -12.599 1.00 0.89 C ATOM 1819 OE1 GLU A 114 7.763 -0.520 -12.291 1.00 1.65 O ATOM 1820 OE2 GLU A 114 6.167 -0.371 -13.729 1.00 1.51 O ATOM 0 H GLU A 114 6.947 -2.810 -8.281 1.00 0.22 H new ATOM 0 HA GLU A 114 5.043 -0.728 -8.890 1.00 0.24 H new ATOM 0 HB2 GLU A 114 7.196 -1.272 -10.138 1.00 0.27 H new ATOM 0 HB3 GLU A 114 6.417 -2.714 -10.760 1.00 0.27 H new ATOM 0 HG2 GLU A 114 4.716 -1.411 -11.918 1.00 0.32 H new ATOM 0 HG3 GLU A 114 5.174 0.059 -11.082 1.00 0.32 H new ATOM 1827 N ASN A 115 4.205 -3.683 -10.114 1.00 0.24 N ATOM 1828 CA ASN A 115 3.009 -4.508 -10.447 1.00 0.25 C ATOM 1829 C ASN A 115 2.116 -4.623 -9.210 1.00 0.23 C ATOM 1830 O ASN A 115 0.905 -4.589 -9.299 1.00 0.29 O ATOM 1831 CB ASN A 115 3.457 -5.905 -10.883 1.00 0.28 C ATOM 1832 CG ASN A 115 3.960 -5.854 -12.326 1.00 0.38 C ATOM 1833 OD1 ASN A 115 3.500 -6.598 -13.169 1.00 1.05 O ATOM 1834 ND2 ASN A 115 4.894 -5.001 -12.649 1.00 1.18 N ATOM 0 H ASN A 115 5.099 -4.074 -10.411 1.00 0.24 H new ATOM 0 HA ASN A 115 2.454 -4.036 -11.258 1.00 0.25 H new ATOM 0 HB2 ASN A 115 4.246 -6.267 -10.224 1.00 0.28 H new ATOM 0 HB3 ASN A 115 2.627 -6.607 -10.801 1.00 0.28 H new ATOM 0 HD21 ASN A 115 5.237 -4.960 -13.609 1.00 1.18 H new ATOM 0 HD22 ASN A 115 5.281 -4.376 -11.942 1.00 1.18 H new ATOM 1841 N PHE A 116 2.708 -4.758 -8.057 1.00 0.19 N ATOM 1842 CA PHE A 116 1.905 -4.874 -6.808 1.00 0.19 C ATOM 1843 C PHE A 116 0.994 -3.652 -6.671 1.00 0.19 C ATOM 1844 O PHE A 116 -0.181 -3.770 -6.389 1.00 0.22 O ATOM 1845 CB PHE A 116 2.850 -4.947 -5.608 1.00 0.19 C ATOM 1846 CG PHE A 116 2.048 -4.961 -4.329 1.00 0.19 C ATOM 1847 CD1 PHE A 116 1.714 -3.756 -3.700 1.00 0.22 C ATOM 1848 CD2 PHE A 116 1.642 -6.178 -3.771 1.00 0.23 C ATOM 1849 CE1 PHE A 116 0.972 -3.769 -2.512 1.00 0.24 C ATOM 1850 CE2 PHE A 116 0.902 -6.191 -2.584 1.00 0.26 C ATOM 1851 CZ PHE A 116 0.566 -4.987 -1.954 1.00 0.25 C ATOM 0 H PHE A 116 3.719 -4.793 -7.925 1.00 0.19 H new ATOM 0 HA PHE A 116 1.294 -5.776 -6.847 1.00 0.19 H new ATOM 0 HB2 PHE A 116 3.466 -5.844 -5.672 1.00 0.19 H new ATOM 0 HB3 PHE A 116 3.528 -4.093 -5.614 1.00 0.19 H new ATOM 0 HD1 PHE A 116 2.028 -2.817 -4.130 1.00 0.22 H new ATOM 0 HD2 PHE A 116 1.900 -7.107 -4.257 1.00 0.23 H new ATOM 0 HE1 PHE A 116 0.713 -2.840 -2.027 1.00 0.24 H new ATOM 0 HE2 PHE A 116 0.590 -7.131 -2.153 1.00 0.26 H new ATOM 0 HZ PHE A 116 -0.006 -4.998 -1.038 1.00 0.25 H new ATOM 1861 N LEU A 117 1.528 -2.477 -6.871 1.00 0.22 N ATOM 1862 CA LEU A 117 0.692 -1.249 -6.753 1.00 0.23 C ATOM 1863 C LEU A 117 -0.300 -1.191 -7.916 1.00 0.24 C ATOM 1864 O LEU A 117 -1.331 -0.553 -7.834 1.00 0.31 O ATOM 1865 CB LEU A 117 1.597 -0.012 -6.791 1.00 0.26 C ATOM 1866 CG LEU A 117 1.923 0.448 -5.361 1.00 0.34 C ATOM 1867 CD1 LEU A 117 3.080 1.449 -5.400 1.00 0.32 C ATOM 1868 CD2 LEU A 117 0.703 1.125 -4.713 1.00 0.53 C ATOM 0 H LEU A 117 2.506 -2.315 -7.111 1.00 0.22 H new ATOM 0 HA LEU A 117 0.144 -1.272 -5.811 1.00 0.23 H new ATOM 0 HB2 LEU A 117 2.518 -0.242 -7.326 1.00 0.26 H new ATOM 0 HB3 LEU A 117 1.104 0.792 -7.337 1.00 0.26 H new ATOM 0 HG LEU A 117 2.197 -0.427 -4.772 1.00 0.34 H new ATOM 0 HD11 LEU A 117 3.312 1.776 -4.387 1.00 0.32 H new ATOM 0 HD12 LEU A 117 3.958 0.974 -5.838 1.00 0.32 H new ATOM 0 HD13 LEU A 117 2.795 2.311 -6.003 1.00 0.32 H new ATOM 0 HD21 LEU A 117 0.957 1.442 -3.702 1.00 0.53 H new ATOM 0 HD22 LEU A 117 0.413 1.994 -5.304 1.00 0.53 H new ATOM 0 HD23 LEU A 117 -0.127 0.419 -4.674 1.00 0.53 H new ATOM 1880 N GLU A 118 0.002 -1.852 -9.000 1.00 0.24 N ATOM 1881 CA GLU A 118 -0.925 -1.832 -10.166 1.00 0.26 C ATOM 1882 C GLU A 118 -2.157 -2.685 -9.854 1.00 0.25 C ATOM 1883 O GLU A 118 -3.264 -2.191 -9.780 1.00 0.30 O ATOM 1884 CB GLU A 118 -0.208 -2.400 -11.395 1.00 0.29 C ATOM 1885 CG GLU A 118 -1.097 -2.248 -12.632 1.00 0.37 C ATOM 1886 CD GLU A 118 -0.343 -1.461 -13.707 1.00 1.19 C ATOM 1887 OE1 GLU A 118 0.825 -1.746 -13.911 1.00 1.91 O ATOM 1888 OE2 GLU A 118 -0.947 -0.589 -14.307 1.00 1.83 O ATOM 0 H GLU A 118 0.850 -2.404 -9.128 1.00 0.24 H new ATOM 0 HA GLU A 118 -1.236 -0.807 -10.367 1.00 0.26 H new ATOM 0 HB2 GLU A 118 0.737 -1.879 -11.549 1.00 0.29 H new ATOM 0 HB3 GLU A 118 0.030 -3.451 -11.234 1.00 0.29 H new ATOM 0 HG2 GLU A 118 -1.378 -3.229 -13.014 1.00 0.37 H new ATOM 0 HG3 GLU A 118 -2.020 -1.732 -12.369 1.00 0.37 H new ATOM 1895 N ARG A 119 -1.972 -3.964 -9.670 1.00 0.22 N ATOM 1896 CA ARG A 119 -3.130 -4.850 -9.362 1.00 0.23 C ATOM 1897 C ARG A 119 -3.895 -4.296 -8.158 1.00 0.22 C ATOM 1898 O ARG A 119 -5.108 -4.350 -8.103 1.00 0.25 O ATOM 1899 CB ARG A 119 -2.621 -6.257 -9.038 1.00 0.24 C ATOM 1900 CG ARG A 119 -1.699 -6.194 -7.820 1.00 0.27 C ATOM 1901 CD ARG A 119 -0.876 -7.480 -7.730 1.00 0.28 C ATOM 1902 NE ARG A 119 -1.565 -8.567 -8.483 1.00 0.76 N ATOM 1903 CZ ARG A 119 -0.920 -9.661 -8.785 1.00 0.92 C ATOM 1904 NH1 ARG A 119 0.325 -9.805 -8.422 1.00 0.79 N ATOM 1905 NH2 ARG A 119 -1.521 -10.610 -9.448 1.00 1.44 N ATOM 0 H ARG A 119 -1.068 -4.434 -9.720 1.00 0.22 H new ATOM 0 HA ARG A 119 -3.795 -4.891 -10.225 1.00 0.23 H new ATOM 0 HB2 ARG A 119 -3.461 -6.923 -8.839 1.00 0.24 H new ATOM 0 HB3 ARG A 119 -2.085 -6.668 -9.893 1.00 0.24 H new ATOM 0 HG2 ARG A 119 -1.037 -5.332 -7.897 1.00 0.27 H new ATOM 0 HG3 ARG A 119 -2.288 -6.063 -6.912 1.00 0.27 H new ATOM 0 HD2 ARG A 119 0.121 -7.315 -8.139 1.00 0.28 H new ATOM 0 HD3 ARG A 119 -0.749 -7.770 -6.687 1.00 0.28 H new ATOM 0 HE ARG A 119 -2.540 -8.456 -8.762 1.00 0.76 H new ATOM 0 HH11 ARG A 119 0.794 -9.063 -7.902 1.00 0.79 H new ATOM 0 HH12 ARG A 119 0.829 -10.660 -8.658 1.00 0.79 H new ATOM 0 HH21 ARG A 119 -2.495 -10.497 -9.730 1.00 1.44 H new ATOM 0 HH22 ARG A 119 -1.017 -11.465 -9.684 1.00 1.44 H new ATOM 1919 N LEU A 120 -3.197 -3.763 -7.192 1.00 0.22 N ATOM 1920 CA LEU A 120 -3.886 -3.210 -5.992 1.00 0.23 C ATOM 1921 C LEU A 120 -4.774 -2.037 -6.410 1.00 0.22 C ATOM 1922 O LEU A 120 -5.976 -2.063 -6.233 1.00 0.22 O ATOM 1923 CB LEU A 120 -2.838 -2.727 -4.984 1.00 0.25 C ATOM 1924 CG LEU A 120 -3.460 -2.625 -3.586 1.00 0.28 C ATOM 1925 CD1 LEU A 120 -2.372 -2.270 -2.572 1.00 0.32 C ATOM 1926 CD2 LEU A 120 -4.540 -1.537 -3.568 1.00 0.27 C ATOM 0 H LEU A 120 -2.180 -3.687 -7.182 1.00 0.22 H new ATOM 0 HA LEU A 120 -4.502 -3.984 -5.534 1.00 0.23 H new ATOM 0 HB2 LEU A 120 -1.994 -3.417 -4.966 1.00 0.25 H new ATOM 0 HB3 LEU A 120 -2.449 -1.756 -5.289 1.00 0.25 H new ATOM 0 HG LEU A 120 -3.912 -3.583 -3.327 1.00 0.28 H new ATOM 0 HD11 LEU A 120 -2.812 -2.197 -1.577 1.00 0.32 H new ATOM 0 HD12 LEU A 120 -1.606 -3.045 -2.574 1.00 0.32 H new ATOM 0 HD13 LEU A 120 -1.922 -1.314 -2.841 1.00 0.32 H new ATOM 0 HD21 LEU A 120 -4.975 -1.473 -2.571 1.00 0.27 H new ATOM 0 HD22 LEU A 120 -4.095 -0.578 -3.832 1.00 0.27 H new ATOM 0 HD23 LEU A 120 -5.319 -1.786 -4.289 1.00 0.27 H new ATOM 1938 N LYS A 121 -4.195 -1.006 -6.959 1.00 0.23 N ATOM 1939 CA LYS A 121 -5.010 0.166 -7.384 1.00 0.26 C ATOM 1940 C LYS A 121 -6.210 -0.317 -8.201 1.00 0.26 C ATOM 1941 O LYS A 121 -7.324 0.129 -8.009 1.00 0.29 O ATOM 1942 CB LYS A 121 -4.155 1.101 -8.241 1.00 0.30 C ATOM 1943 CG LYS A 121 -4.940 2.383 -8.532 1.00 0.31 C ATOM 1944 CD LYS A 121 -4.091 3.326 -9.393 1.00 0.61 C ATOM 1945 CE LYS A 121 -3.797 2.675 -10.747 1.00 0.76 C ATOM 1946 NZ LYS A 121 -3.668 3.734 -11.788 1.00 1.54 N ATOM 0 H LYS A 121 -3.193 -0.924 -7.132 1.00 0.23 H new ATOM 0 HA LYS A 121 -5.361 0.702 -6.502 1.00 0.26 H new ATOM 0 HB2 LYS A 121 -3.226 1.340 -7.723 1.00 0.30 H new ATOM 0 HB3 LYS A 121 -3.882 0.609 -9.174 1.00 0.30 H new ATOM 0 HG2 LYS A 121 -5.870 2.142 -9.048 1.00 0.31 H new ATOM 0 HG3 LYS A 121 -5.212 2.874 -7.598 1.00 0.31 H new ATOM 0 HD2 LYS A 121 -4.616 4.270 -9.540 1.00 0.61 H new ATOM 0 HD3 LYS A 121 -3.157 3.558 -8.881 1.00 0.61 H new ATOM 0 HE2 LYS A 121 -2.878 2.091 -10.690 1.00 0.76 H new ATOM 0 HE3 LYS A 121 -4.597 1.984 -11.012 1.00 0.76 H new ATOM 0 HZ1 LYS A 121 -3.468 3.293 -12.709 1.00 1.54 H new ATOM 0 HZ2 LYS A 121 -4.556 4.273 -11.847 1.00 1.54 H new ATOM 0 HZ3 LYS A 121 -2.890 4.376 -11.535 1.00 1.54 H new ATOM 1960 N THR A 122 -5.992 -1.224 -9.113 1.00 0.26 N ATOM 1961 CA THR A 122 -7.121 -1.735 -9.940 1.00 0.28 C ATOM 1962 C THR A 122 -8.164 -2.390 -9.032 1.00 0.27 C ATOM 1963 O THR A 122 -9.340 -2.097 -9.110 1.00 0.30 O ATOM 1964 CB THR A 122 -6.592 -2.767 -10.941 1.00 0.31 C ATOM 1965 OG1 THR A 122 -5.475 -2.224 -11.631 1.00 0.40 O ATOM 1966 CG2 THR A 122 -7.692 -3.121 -11.944 1.00 0.39 C ATOM 0 H THR A 122 -5.081 -1.633 -9.321 1.00 0.26 H new ATOM 0 HA THR A 122 -7.581 -0.907 -10.480 1.00 0.28 H new ATOM 0 HB THR A 122 -6.288 -3.668 -10.408 1.00 0.31 H new ATOM 0 HG1 THR A 122 -4.670 -2.327 -11.082 1.00 0.40 H new ATOM 0 HG21 THR A 122 -7.313 -3.855 -12.655 1.00 0.39 H new ATOM 0 HG22 THR A 122 -8.548 -3.538 -11.413 1.00 0.39 H new ATOM 0 HG23 THR A 122 -7.999 -2.223 -12.479 1.00 0.39 H new ATOM 1974 N ILE A 123 -7.742 -3.274 -8.170 1.00 0.27 N ATOM 1975 CA ILE A 123 -8.709 -3.946 -7.257 1.00 0.30 C ATOM 1976 C ILE A 123 -9.533 -2.888 -6.522 1.00 0.29 C ATOM 1977 O ILE A 123 -10.743 -2.968 -6.450 1.00 0.34 O ATOM 1978 CB ILE A 123 -7.942 -4.793 -6.239 1.00 0.34 C ATOM 1979 CG1 ILE A 123 -7.436 -6.070 -6.920 1.00 0.36 C ATOM 1980 CG2 ILE A 123 -8.872 -5.164 -5.081 1.00 0.42 C ATOM 1981 CD1 ILE A 123 -6.450 -6.795 -5.999 1.00 0.42 C ATOM 0 H ILE A 123 -6.769 -3.560 -8.059 1.00 0.27 H new ATOM 0 HA ILE A 123 -9.374 -4.587 -7.837 1.00 0.30 H new ATOM 0 HB ILE A 123 -7.095 -4.225 -5.855 1.00 0.34 H new ATOM 0 HG12 ILE A 123 -8.275 -6.724 -7.156 1.00 0.36 H new ATOM 0 HG13 ILE A 123 -6.951 -5.822 -7.864 1.00 0.36 H new ATOM 0 HG21 ILE A 123 -8.327 -5.767 -4.355 1.00 0.42 H new ATOM 0 HG22 ILE A 123 -9.233 -4.256 -4.599 1.00 0.42 H new ATOM 0 HG23 ILE A 123 -9.719 -5.734 -5.463 1.00 0.42 H new ATOM 0 HD11 ILE A 123 -6.094 -7.702 -6.489 1.00 0.42 H new ATOM 0 HD12 ILE A 123 -5.604 -6.142 -5.785 1.00 0.42 H new ATOM 0 HD13 ILE A 123 -6.949 -7.058 -5.067 1.00 0.42 H new ATOM 1993 N MET A 124 -8.886 -1.896 -5.975 1.00 0.29 N ATOM 1994 CA MET A 124 -9.628 -0.832 -5.243 1.00 0.32 C ATOM 1995 C MET A 124 -10.757 -0.295 -6.123 1.00 0.33 C ATOM 1996 O MET A 124 -11.908 -0.278 -5.734 1.00 0.38 O ATOM 1997 CB MET A 124 -8.668 0.309 -4.900 1.00 0.35 C ATOM 1998 CG MET A 124 -7.924 -0.021 -3.604 1.00 0.40 C ATOM 1999 SD MET A 124 -8.989 0.339 -2.186 1.00 1.01 S ATOM 2000 CE MET A 124 -7.669 0.649 -0.987 1.00 0.91 C ATOM 0 H MET A 124 -7.873 -1.776 -6.004 1.00 0.29 H new ATOM 0 HA MET A 124 -10.049 -1.248 -4.327 1.00 0.32 H new ATOM 0 HB2 MET A 124 -7.957 0.456 -5.713 1.00 0.35 H new ATOM 0 HB3 MET A 124 -9.221 1.242 -4.787 1.00 0.35 H new ATOM 0 HG2 MET A 124 -7.634 -1.072 -3.597 1.00 0.40 H new ATOM 0 HG3 MET A 124 -7.006 0.564 -3.540 1.00 0.40 H new ATOM 0 HE1 MET A 124 -8.092 1.098 -0.088 1.00 0.91 H new ATOM 0 HE2 MET A 124 -7.184 -0.292 -0.728 1.00 0.91 H new ATOM 0 HE3 MET A 124 -6.935 1.328 -1.421 1.00 0.91 H new ATOM 2010 N ARG A 125 -10.434 0.150 -7.305 1.00 0.34 N ATOM 2011 CA ARG A 125 -11.481 0.694 -8.212 1.00 0.39 C ATOM 2012 C ARG A 125 -12.507 -0.396 -8.527 1.00 0.40 C ATOM 2013 O ARG A 125 -13.616 -0.116 -8.936 1.00 0.47 O ATOM 2014 CB ARG A 125 -10.821 1.190 -9.502 1.00 0.45 C ATOM 2015 CG ARG A 125 -10.723 2.723 -9.465 1.00 0.93 C ATOM 2016 CD ARG A 125 -9.683 3.221 -10.477 1.00 0.93 C ATOM 2017 NE ARG A 125 -10.297 4.253 -11.358 1.00 1.44 N ATOM 2018 CZ ARG A 125 -9.535 5.078 -12.023 1.00 2.00 C ATOM 2019 NH1 ARG A 125 -8.239 5.042 -11.869 1.00 2.34 N ATOM 2020 NH2 ARG A 125 -10.070 5.950 -12.835 1.00 2.75 N ATOM 0 H ARG A 125 -9.487 0.160 -7.683 1.00 0.34 H new ATOM 0 HA ARG A 125 -11.993 1.526 -7.728 1.00 0.39 H new ATOM 0 HB2 ARG A 125 -9.828 0.753 -9.607 1.00 0.45 H new ATOM 0 HB3 ARG A 125 -11.403 0.872 -10.367 1.00 0.45 H new ATOM 0 HG2 ARG A 125 -11.696 3.161 -9.689 1.00 0.93 H new ATOM 0 HG3 ARG A 125 -10.449 3.051 -8.462 1.00 0.93 H new ATOM 0 HD2 ARG A 125 -8.823 3.640 -9.954 1.00 0.93 H new ATOM 0 HD3 ARG A 125 -9.316 2.388 -11.077 1.00 0.93 H new ATOM 0 HE ARG A 125 -11.312 4.315 -11.442 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -7.820 4.368 -11.228 1.00 2.34 H new ATOM 0 HH12 ARG A 125 -7.645 5.688 -12.390 1.00 2.34 H new ATOM 0 HH21 ARG A 125 -11.083 5.986 -12.949 1.00 2.75 H new ATOM 0 HH22 ARG A 125 -9.475 6.595 -13.355 1.00 2.75 H new ATOM 2034 N GLU A 126 -12.159 -1.638 -8.323 1.00 0.37 N ATOM 2035 CA GLU A 126 -13.135 -2.731 -8.595 1.00 0.41 C ATOM 2036 C GLU A 126 -14.115 -2.807 -7.425 1.00 0.43 C ATOM 2037 O GLU A 126 -15.309 -2.945 -7.606 1.00 0.50 O ATOM 2038 CB GLU A 126 -12.399 -4.065 -8.739 1.00 0.43 C ATOM 2039 CG GLU A 126 -13.136 -4.944 -9.753 1.00 0.53 C ATOM 2040 CD GLU A 126 -12.767 -6.411 -9.525 1.00 1.18 C ATOM 2041 OE1 GLU A 126 -11.585 -6.709 -9.514 1.00 1.91 O ATOM 2042 OE2 GLU A 126 -13.674 -7.211 -9.364 1.00 1.80 O ATOM 0 H GLU A 126 -11.247 -1.941 -7.982 1.00 0.37 H new ATOM 0 HA GLU A 126 -13.671 -2.527 -9.522 1.00 0.41 H new ATOM 0 HB2 GLU A 126 -11.374 -3.894 -9.067 1.00 0.43 H new ATOM 0 HB3 GLU A 126 -12.345 -4.570 -7.774 1.00 0.43 H new ATOM 0 HG2 GLU A 126 -14.213 -4.809 -9.651 1.00 0.53 H new ATOM 0 HG3 GLU A 126 -12.872 -4.646 -10.768 1.00 0.53 H new ATOM 2049 N LYS A 127 -13.616 -2.702 -6.222 1.00 0.45 N ATOM 2050 CA LYS A 127 -14.514 -2.747 -5.035 1.00 0.52 C ATOM 2051 C LYS A 127 -15.095 -1.351 -4.807 1.00 0.56 C ATOM 2052 O LYS A 127 -16.051 -1.176 -4.080 1.00 0.70 O ATOM 2053 CB LYS A 127 -13.715 -3.163 -3.798 1.00 0.55 C ATOM 2054 CG LYS A 127 -13.055 -4.523 -4.036 1.00 0.52 C ATOM 2055 CD LYS A 127 -12.754 -5.174 -2.681 1.00 0.69 C ATOM 2056 CE LYS A 127 -11.633 -6.211 -2.821 1.00 0.83 C ATOM 2057 NZ LYS A 127 -12.138 -7.390 -3.582 1.00 1.85 N ATOM 0 H LYS A 127 -12.625 -2.587 -6.012 1.00 0.45 H new ATOM 0 HA LYS A 127 -15.314 -3.467 -5.207 1.00 0.52 H new ATOM 0 HB2 LYS A 127 -12.955 -2.414 -3.577 1.00 0.55 H new ATOM 0 HB3 LYS A 127 -14.373 -3.215 -2.930 1.00 0.55 H new ATOM 0 HG2 LYS A 127 -13.713 -5.163 -4.624 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -12.135 -4.400 -4.608 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.463 -4.410 -1.960 1.00 0.69 H new ATOM 0 HD3 LYS A 127 -13.653 -5.652 -2.293 1.00 0.69 H new ATOM 0 HE2 LYS A 127 -10.779 -5.771 -3.336 1.00 0.83 H new ATOM 0 HE3 LYS A 127 -11.286 -6.522 -1.836 1.00 0.83 H new ATOM 0 HZ1 LYS A 127 -11.383 -8.101 -3.662 1.00 1.85 H new ATOM 0 HZ2 LYS A 127 -12.951 -7.803 -3.082 1.00 1.85 H new ATOM 0 HZ3 LYS A 127 -12.433 -7.089 -4.533 1.00 1.85 H new ATOM 2071 N TYR A 128 -14.516 -0.358 -5.424 1.00 0.46 N ATOM 2072 CA TYR A 128 -15.023 1.031 -5.248 1.00 0.52 C ATOM 2073 C TYR A 128 -16.430 1.142 -5.839 1.00 0.67 C ATOM 2074 O TYR A 128 -16.995 2.215 -5.921 1.00 0.77 O ATOM 2075 CB TYR A 128 -14.086 2.009 -5.960 1.00 0.42 C ATOM 2076 CG TYR A 128 -14.450 3.425 -5.583 1.00 0.44 C ATOM 2077 CD1 TYR A 128 -14.092 3.931 -4.326 1.00 0.41 C ATOM 2078 CD2 TYR A 128 -15.145 4.234 -6.490 1.00 0.54 C ATOM 2079 CE1 TYR A 128 -14.430 5.245 -3.978 1.00 0.46 C ATOM 2080 CE2 TYR A 128 -15.483 5.547 -6.141 1.00 0.59 C ATOM 2081 CZ TYR A 128 -15.125 6.053 -4.886 1.00 0.53 C ATOM 2082 OH TYR A 128 -15.458 7.348 -4.543 1.00 0.59 O ATOM 0 H TYR A 128 -13.711 -0.450 -6.044 1.00 0.46 H new ATOM 0 HA TYR A 128 -15.059 1.273 -4.186 1.00 0.52 H new ATOM 0 HB2 TYR A 128 -13.052 1.803 -5.685 1.00 0.42 H new ATOM 0 HB3 TYR A 128 -14.160 1.879 -7.040 1.00 0.42 H new ATOM 0 HD1 TYR A 128 -13.556 3.308 -3.626 1.00 0.41 H new ATOM 0 HD2 TYR A 128 -15.420 3.845 -7.459 1.00 0.54 H new ATOM 0 HE1 TYR A 128 -14.155 5.635 -3.009 1.00 0.46 H new ATOM 0 HE2 TYR A 128 -16.020 6.170 -6.841 1.00 0.59 H new ATOM 0 HH TYR A 128 -15.937 7.770 -5.286 1.00 0.59 H new