USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= 0.0797 USER MOD Set 1.2: A 115 ASN : amide:sc= 0.0377 K(o=0.12,f=-2.7!) USER MOD Set 2.1: A 32 THR OG1 : rot 42:sc= 0.904 USER MOD Set 2.2: A 110 GLN : amide:sc= -1.12! K(o=-0.22!,f=0.87) USER MOD Single : A 10 THR OG1 : rot 86:sc= 0.497 USER MOD Single : A 12 GLN : amide:sc= -0.58 K(o=-0.58,f=-0.03) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0228 (180deg=-0.205) USER MOD Single : A 17 THR OG1 : rot 72:sc= 0.162 USER MOD Single : A 19 ASN : amide:sc= -0.0297 K(o=-0.03,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -59:sc= 0.678 USER MOD Single : A 24 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.13) USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 0.897 (180deg=0.098!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -85:sc= 0.8 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 103:sc= 0.919 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -6.58! (180deg=-9.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 72:sc= 0.186 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot 90:sc= 0.908 USER MOD Single : A 62 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.4) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0489) USER MOD Single : A 67 THR OG1 : rot -69:sc= 1.11 USER MOD Single : A 73 THR OG1 : rot 86:sc= 0.0874 USER MOD Single : A 75 GLN : amide:sc= -8.16! C(o=-8.2!,f=-4.6!) USER MOD Single : A 76 GLN : amide:sc= -0.913 K(o=-0.91,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.18) USER MOD Single : A 80 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.45) USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= -0.397 (180deg=-1.19!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.91! K(o=-3.9!,f=-1.4) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -7:sc= 0.68! USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -8:sc= 0.15 USER MOD Single : A 121 LYS NZ :NH3+ -159:sc=-0.000766 (180deg=-0.0589) USER MOD Single : A 122 THR OG1 : rot 94:sc= 1.03 USER MOD Single : A 124 MET CE :methyl -177:sc= -0.248 (180deg=-0.301) USER MOD Single : A 127 LYS NZ :NH3+ -140:sc= -6.53! (180deg=-7.99!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.973 5.747 1.679 1.00 0.49 N ATOM 103 CA ASP A 8 -16.711 5.960 2.444 1.00 0.40 C ATOM 104 C ASP A 8 -15.846 6.996 1.724 1.00 0.38 C ATOM 105 O ASP A 8 -15.538 6.857 0.556 1.00 0.40 O ATOM 106 CB ASP A 8 -15.948 4.638 2.545 1.00 0.34 C ATOM 107 CG ASP A 8 -14.709 4.829 3.423 1.00 0.57 C ATOM 108 OD1 ASP A 8 -14.491 5.944 3.870 1.00 1.18 O ATOM 109 OD2 ASP A 8 -14.002 3.859 3.633 1.00 1.51 O ATOM 0 HA ASP A 8 -16.949 6.320 3.445 1.00 0.40 H new ATOM 0 HB2 ASP A 8 -16.591 3.866 2.968 1.00 0.34 H new ATOM 0 HB3 ASP A 8 -15.654 4.299 1.552 1.00 0.34 H new ATOM 114 N ILE A 9 -15.450 8.033 2.409 1.00 0.36 N ATOM 115 CA ILE A 9 -14.605 9.075 1.762 1.00 0.38 C ATOM 116 C ILE A 9 -13.137 8.647 1.820 1.00 0.30 C ATOM 117 O ILE A 9 -12.317 9.100 1.045 1.00 0.34 O ATOM 118 CB ILE A 9 -14.778 10.403 2.501 1.00 0.40 C ATOM 119 CG1 ILE A 9 -13.876 11.462 1.863 1.00 0.40 C ATOM 120 CG2 ILE A 9 -14.393 10.225 3.971 1.00 0.39 C ATOM 121 CD1 ILE A 9 -14.609 12.804 1.829 1.00 0.70 C ATOM 0 H ILE A 9 -15.675 8.204 3.389 1.00 0.36 H new ATOM 0 HA ILE A 9 -14.909 9.196 0.722 1.00 0.38 H new ATOM 0 HB ILE A 9 -15.818 10.722 2.435 1.00 0.40 H new ATOM 0 HG12 ILE A 9 -12.950 11.556 2.430 1.00 0.40 H new ATOM 0 HG13 ILE A 9 -13.601 11.160 0.852 1.00 0.40 H new ATOM 0 HG21 ILE A 9 -14.517 11.172 4.497 1.00 0.39 H new ATOM 0 HG22 ILE A 9 -15.035 9.471 4.426 1.00 0.39 H new ATOM 0 HG23 ILE A 9 -13.353 9.906 4.039 1.00 0.39 H new ATOM 0 HD11 ILE A 9 -13.966 13.558 1.375 1.00 0.70 H new ATOM 0 HD12 ILE A 9 -15.523 12.705 1.243 1.00 0.70 H new ATOM 0 HD13 ILE A 9 -14.861 13.107 2.845 1.00 0.70 H new ATOM 133 N THR A 10 -12.799 7.776 2.732 1.00 0.21 N ATOM 134 CA THR A 10 -11.385 7.318 2.838 1.00 0.14 C ATOM 135 C THR A 10 -10.979 6.612 1.542 1.00 0.17 C ATOM 136 O THR A 10 -9.889 6.795 1.039 1.00 0.17 O ATOM 137 CB THR A 10 -11.249 6.347 4.012 1.00 0.06 C ATOM 138 OG1 THR A 10 -12.036 6.811 5.100 1.00 0.07 O ATOM 139 CG2 THR A 10 -9.783 6.260 4.441 1.00 0.13 C ATOM 0 H THR A 10 -13.441 7.362 3.408 1.00 0.21 H new ATOM 0 HA THR A 10 -10.736 8.178 3.002 1.00 0.14 H new ATOM 0 HB THR A 10 -11.594 5.359 3.708 1.00 0.06 H new ATOM 0 HG1 THR A 10 -12.956 6.488 4.999 1.00 0.07 H new ATOM 0 HG21 THR A 10 -9.689 5.568 5.278 1.00 0.13 H new ATOM 0 HG22 THR A 10 -9.180 5.904 3.606 1.00 0.13 H new ATOM 0 HG23 THR A 10 -9.434 7.247 4.746 1.00 0.13 H new ATOM 147 N LEU A 11 -11.848 5.804 0.999 1.00 0.22 N ATOM 148 CA LEU A 11 -11.511 5.087 -0.263 1.00 0.24 C ATOM 149 C LEU A 11 -11.259 6.104 -1.377 1.00 0.28 C ATOM 150 O LEU A 11 -10.539 5.840 -2.321 1.00 0.21 O ATOM 151 CB LEU A 11 -12.678 4.178 -0.658 1.00 0.26 C ATOM 152 CG LEU A 11 -13.053 3.284 0.525 1.00 0.32 C ATOM 153 CD1 LEU A 11 -14.223 2.380 0.132 1.00 0.23 C ATOM 154 CD2 LEU A 11 -11.850 2.419 0.914 1.00 0.43 C ATOM 0 H LEU A 11 -12.776 5.610 1.375 1.00 0.22 H new ATOM 0 HA LEU A 11 -10.615 4.486 -0.111 1.00 0.24 H new ATOM 0 HB2 LEU A 11 -13.536 4.780 -0.959 1.00 0.26 H new ATOM 0 HB3 LEU A 11 -12.401 3.566 -1.516 1.00 0.26 H new ATOM 0 HG LEU A 11 -13.343 3.907 1.371 1.00 0.32 H new ATOM 0 HD11 LEU A 11 -14.490 1.743 0.975 1.00 0.23 H new ATOM 0 HD12 LEU A 11 -15.080 2.994 -0.145 1.00 0.23 H new ATOM 0 HD13 LEU A 11 -13.934 1.758 -0.715 1.00 0.23 H new ATOM 0 HD21 LEU A 11 -12.117 1.782 1.757 1.00 0.43 H new ATOM 0 HD22 LEU A 11 -11.560 1.797 0.067 1.00 0.43 H new ATOM 0 HD23 LEU A 11 -11.016 3.062 1.195 1.00 0.43 H new ATOM 166 N GLN A 12 -11.845 7.266 -1.277 1.00 0.40 N ATOM 167 CA GLN A 12 -11.639 8.298 -2.332 1.00 0.45 C ATOM 168 C GLN A 12 -10.240 8.903 -2.191 1.00 0.46 C ATOM 169 O GLN A 12 -9.389 8.727 -3.039 1.00 0.47 O ATOM 170 CB GLN A 12 -12.689 9.399 -2.178 1.00 0.48 C ATOM 171 CG GLN A 12 -12.462 10.475 -3.242 1.00 0.22 C ATOM 172 CD GLN A 12 -13.812 10.959 -3.776 1.00 1.07 C ATOM 173 OE1 GLN A 12 -13.933 11.301 -4.935 1.00 1.91 O ATOM 174 NE2 GLN A 12 -14.839 11.004 -2.972 1.00 1.71 N ATOM 0 H GLN A 12 -12.457 7.545 -0.510 1.00 0.40 H new ATOM 0 HA GLN A 12 -11.736 7.837 -3.315 1.00 0.45 H new ATOM 0 HB2 GLN A 12 -13.690 8.978 -2.279 1.00 0.48 H new ATOM 0 HB3 GLN A 12 -12.627 9.838 -1.182 1.00 0.48 H new ATOM 0 HG2 GLN A 12 -11.907 11.311 -2.816 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -11.859 10.074 -4.057 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -14.738 10.717 -1.999 1.00 1.71 H new ATOM 0 HE22 GLN A 12 -15.743 11.326 -3.317 1.00 1.71 H new ATOM 183 N GLU A 13 -9.996 9.618 -1.127 1.00 0.46 N ATOM 184 CA GLU A 13 -8.653 10.235 -0.936 1.00 0.49 C ATOM 185 C GLU A 13 -7.574 9.155 -1.040 1.00 0.45 C ATOM 186 O GLU A 13 -6.484 9.398 -1.518 1.00 0.59 O ATOM 187 CB GLU A 13 -8.585 10.894 0.445 1.00 0.51 C ATOM 188 CG GLU A 13 -8.380 9.820 1.515 1.00 0.44 C ATOM 189 CD GLU A 13 -8.776 10.380 2.883 1.00 1.41 C ATOM 190 OE1 GLU A 13 -9.033 11.570 2.962 1.00 2.49 O ATOM 191 OE2 GLU A 13 -8.816 9.610 3.828 1.00 1.67 O ATOM 0 H GLU A 13 -10.668 9.801 -0.382 1.00 0.46 H new ATOM 0 HA GLU A 13 -8.487 10.988 -1.706 1.00 0.49 H new ATOM 0 HB2 GLU A 13 -7.767 11.614 0.476 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -9.504 11.447 0.641 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -8.981 8.941 1.282 1.00 0.44 H new ATOM 0 HG3 GLU A 13 -7.338 9.500 1.529 1.00 0.44 H new ATOM 198 N ILE A 14 -7.868 7.962 -0.599 1.00 0.33 N ATOM 199 CA ILE A 14 -6.858 6.870 -0.676 1.00 0.32 C ATOM 200 C ILE A 14 -6.457 6.651 -2.136 1.00 0.27 C ATOM 201 O ILE A 14 -5.291 6.669 -2.479 1.00 0.27 O ATOM 202 CB ILE A 14 -7.455 5.580 -0.111 1.00 0.30 C ATOM 203 CG1 ILE A 14 -7.325 5.585 1.414 1.00 0.26 C ATOM 204 CG2 ILE A 14 -6.703 4.375 -0.680 1.00 0.31 C ATOM 205 CD1 ILE A 14 -8.181 4.462 2.004 1.00 0.25 C ATOM 0 H ILE A 14 -8.764 7.697 -0.189 1.00 0.33 H new ATOM 0 HA ILE A 14 -5.979 7.146 -0.094 1.00 0.32 H new ATOM 0 HB ILE A 14 -8.507 5.516 -0.389 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -6.282 5.451 1.701 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -7.644 6.548 1.813 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -7.129 3.456 -0.277 1.00 0.31 H new ATOM 0 HG22 ILE A 14 -6.792 4.370 -1.766 1.00 0.31 H new ATOM 0 HG23 ILE A 14 -5.651 4.439 -0.403 1.00 0.31 H new ATOM 0 HD11 ILE A 14 -8.088 4.466 3.090 1.00 0.25 H new ATOM 0 HD12 ILE A 14 -9.224 4.617 1.728 1.00 0.25 H new ATOM 0 HD13 ILE A 14 -7.841 3.502 1.614 1.00 0.25 H new ATOM 217 N ILE A 15 -7.413 6.441 -2.998 1.00 0.25 N ATOM 218 CA ILE A 15 -7.086 6.220 -4.435 1.00 0.21 C ATOM 219 C ILE A 15 -6.275 7.406 -4.964 1.00 0.28 C ATOM 220 O ILE A 15 -5.264 7.236 -5.615 1.00 0.29 O ATOM 221 CB ILE A 15 -8.382 6.090 -5.237 1.00 0.15 C ATOM 222 CG1 ILE A 15 -9.049 4.751 -4.914 1.00 0.12 C ATOM 223 CG2 ILE A 15 -8.066 6.152 -6.733 1.00 0.13 C ATOM 224 CD1 ILE A 15 -10.492 4.763 -5.421 1.00 0.15 C ATOM 0 H ILE A 15 -8.407 6.413 -2.770 1.00 0.25 H new ATOM 0 HA ILE A 15 -6.500 5.306 -4.538 1.00 0.21 H new ATOM 0 HB ILE A 15 -9.055 6.906 -4.973 1.00 0.15 H new ATOM 0 HG12 ILE A 15 -8.496 3.936 -5.380 1.00 0.12 H new ATOM 0 HG13 ILE A 15 -9.032 4.574 -3.839 1.00 0.12 H new ATOM 0 HG21 ILE A 15 -8.990 6.059 -7.304 1.00 0.13 H new ATOM 0 HG22 ILE A 15 -7.590 7.105 -6.965 1.00 0.13 H new ATOM 0 HG23 ILE A 15 -7.393 5.336 -6.997 1.00 0.13 H new ATOM 0 HD11 ILE A 15 -10.967 3.809 -5.191 1.00 0.15 H new ATOM 0 HD12 ILE A 15 -11.042 5.569 -4.935 1.00 0.15 H new ATOM 0 HD13 ILE A 15 -10.497 4.920 -6.500 1.00 0.15 H new ATOM 236 N LYS A 16 -6.712 8.605 -4.690 1.00 0.33 N ATOM 237 CA LYS A 16 -5.967 9.799 -5.178 1.00 0.40 C ATOM 238 C LYS A 16 -4.485 9.656 -4.824 1.00 0.37 C ATOM 239 O LYS A 16 -3.615 9.982 -5.607 1.00 0.47 O ATOM 240 CB LYS A 16 -6.530 11.058 -4.514 1.00 0.39 C ATOM 241 CG LYS A 16 -6.979 12.051 -5.590 1.00 0.52 C ATOM 242 CD LYS A 16 -8.193 11.488 -6.331 1.00 1.71 C ATOM 243 CE LYS A 16 -9.438 12.294 -5.959 1.00 1.80 C ATOM 244 NZ LYS A 16 -9.352 13.653 -6.567 1.00 1.82 N ATOM 0 H LYS A 16 -7.553 8.809 -4.149 1.00 0.33 H new ATOM 0 HA LYS A 16 -6.076 9.878 -6.260 1.00 0.40 H new ATOM 0 HB2 LYS A 16 -7.371 10.797 -3.872 1.00 0.39 H new ATOM 0 HB3 LYS A 16 -5.773 11.515 -3.877 1.00 0.39 H new ATOM 0 HG2 LYS A 16 -7.230 13.009 -5.134 1.00 0.52 H new ATOM 0 HG3 LYS A 16 -6.165 12.236 -6.291 1.00 0.52 H new ATOM 0 HD2 LYS A 16 -8.027 11.531 -7.407 1.00 1.71 H new ATOM 0 HD3 LYS A 16 -8.336 10.439 -6.072 1.00 1.71 H new ATOM 0 HE2 LYS A 16 -10.334 11.783 -6.311 1.00 1.80 H new ATOM 0 HE3 LYS A 16 -9.522 12.374 -4.875 1.00 1.80 H new ATOM 0 HZ1 LYS A 16 -10.307 14.053 -6.659 1.00 1.82 H new ATOM 0 HZ2 LYS A 16 -8.775 14.269 -5.959 1.00 1.82 H new ATOM 0 HZ3 LYS A 16 -8.913 13.585 -7.507 1.00 1.82 H new ATOM 258 N THR A 17 -4.190 9.172 -3.648 1.00 0.26 N ATOM 259 CA THR A 17 -2.764 9.010 -3.245 1.00 0.32 C ATOM 260 C THR A 17 -2.116 7.912 -4.090 1.00 0.37 C ATOM 261 O THR A 17 -1.029 8.075 -4.609 1.00 0.49 O ATOM 262 CB THR A 17 -2.694 8.624 -1.766 1.00 0.31 C ATOM 263 OG1 THR A 17 -3.373 9.602 -0.990 1.00 0.42 O ATOM 264 CG2 THR A 17 -1.231 8.547 -1.326 1.00 0.42 C ATOM 0 H THR A 17 -4.874 8.882 -2.949 1.00 0.26 H new ATOM 0 HA THR A 17 -2.233 9.949 -3.402 1.00 0.32 H new ATOM 0 HB THR A 17 -3.166 7.652 -1.621 1.00 0.31 H new ATOM 0 HG1 THR A 17 -4.339 9.518 -1.131 1.00 0.42 H new ATOM 0 HG21 THR A 17 -1.182 8.272 -0.272 1.00 0.42 H new ATOM 0 HG22 THR A 17 -0.711 7.797 -1.921 1.00 0.42 H new ATOM 0 HG23 THR A 17 -0.756 9.517 -1.470 1.00 0.42 H new ATOM 272 N LEU A 18 -2.773 6.793 -4.233 1.00 0.33 N ATOM 273 CA LEU A 18 -2.193 5.687 -5.044 1.00 0.44 C ATOM 274 C LEU A 18 -1.680 6.243 -6.373 1.00 0.45 C ATOM 275 O LEU A 18 -0.608 5.898 -6.831 1.00 0.52 O ATOM 276 CB LEU A 18 -3.272 4.633 -5.314 1.00 0.54 C ATOM 277 CG LEU A 18 -3.348 3.654 -4.137 1.00 0.36 C ATOM 278 CD1 LEU A 18 -4.587 2.771 -4.291 1.00 0.39 C ATOM 279 CD2 LEU A 18 -2.097 2.765 -4.100 1.00 0.93 C ATOM 0 H LEU A 18 -3.686 6.598 -3.823 1.00 0.33 H new ATOM 0 HA LEU A 18 -1.367 5.231 -4.498 1.00 0.44 H new ATOM 0 HB2 LEU A 18 -4.238 5.117 -5.459 1.00 0.54 H new ATOM 0 HB3 LEU A 18 -3.044 4.094 -6.233 1.00 0.54 H new ATOM 0 HG LEU A 18 -3.408 4.223 -3.209 1.00 0.36 H new ATOM 0 HD11 LEU A 18 -4.643 2.074 -3.455 1.00 0.39 H new ATOM 0 HD12 LEU A 18 -5.480 3.396 -4.303 1.00 0.39 H new ATOM 0 HD13 LEU A 18 -4.522 2.213 -5.225 1.00 0.39 H new ATOM 0 HD21 LEU A 18 -2.166 2.075 -3.259 1.00 0.93 H new ATOM 0 HD22 LEU A 18 -2.025 2.199 -5.029 1.00 0.93 H new ATOM 0 HD23 LEU A 18 -1.211 3.389 -3.986 1.00 0.93 H new ATOM 291 N ASN A 19 -2.436 7.103 -6.999 1.00 0.39 N ATOM 292 CA ASN A 19 -1.992 7.681 -8.298 1.00 0.41 C ATOM 293 C ASN A 19 -0.732 8.523 -8.079 1.00 0.41 C ATOM 294 O ASN A 19 0.300 8.280 -8.673 1.00 0.47 O ATOM 295 CB ASN A 19 -3.103 8.564 -8.870 1.00 0.44 C ATOM 296 CG ASN A 19 -4.292 7.691 -9.276 1.00 0.45 C ATOM 297 OD1 ASN A 19 -4.118 6.563 -9.691 1.00 1.00 O ATOM 298 ND2 ASN A 19 -5.501 8.170 -9.174 1.00 1.11 N ATOM 0 H ASN A 19 -3.343 7.430 -6.666 1.00 0.39 H new ATOM 0 HA ASN A 19 -1.772 6.875 -8.998 1.00 0.41 H new ATOM 0 HB2 ASN A 19 -3.415 9.300 -8.129 1.00 0.44 H new ATOM 0 HB3 ASN A 19 -2.734 9.118 -9.733 1.00 0.44 H new ATOM 0 HD21 ASN A 19 -6.301 7.597 -9.443 1.00 1.11 H new ATOM 0 HD22 ASN A 19 -5.646 9.117 -8.825 1.00 1.11 H new ATOM 305 N SER A 20 -0.809 9.511 -7.231 1.00 0.60 N ATOM 306 CA SER A 20 0.383 10.368 -6.975 1.00 0.64 C ATOM 307 C SER A 20 1.607 9.481 -6.733 1.00 0.54 C ATOM 308 O SER A 20 2.700 9.783 -7.168 1.00 0.47 O ATOM 309 CB SER A 20 0.131 11.236 -5.741 1.00 0.80 C ATOM 310 OG SER A 20 -0.711 12.325 -6.098 1.00 0.98 O ATOM 0 H SER A 20 -1.646 9.762 -6.704 1.00 0.60 H new ATOM 0 HA SER A 20 0.563 11.008 -7.839 1.00 0.64 H new ATOM 0 HB2 SER A 20 -0.335 10.643 -4.954 1.00 0.80 H new ATOM 0 HB3 SER A 20 1.076 11.607 -5.343 1.00 0.80 H new ATOM 0 HG SER A 20 -0.876 12.883 -5.309 1.00 0.98 H new ATOM 316 N LEU A 21 1.433 8.388 -6.041 1.00 0.57 N ATOM 317 CA LEU A 21 2.586 7.485 -5.771 1.00 0.56 C ATOM 318 C LEU A 21 3.186 7.011 -7.098 1.00 0.38 C ATOM 319 O LEU A 21 4.375 7.112 -7.324 1.00 0.44 O ATOM 320 CB LEU A 21 2.107 6.276 -4.967 1.00 0.67 C ATOM 321 CG LEU A 21 2.320 6.534 -3.472 1.00 0.55 C ATOM 322 CD1 LEU A 21 1.597 5.457 -2.662 1.00 0.63 C ATOM 323 CD2 LEU A 21 3.817 6.498 -3.139 1.00 0.43 C ATOM 0 H LEU A 21 0.542 8.082 -5.651 1.00 0.57 H new ATOM 0 HA LEU A 21 3.344 8.023 -5.202 1.00 0.56 H new ATOM 0 HB2 LEU A 21 1.052 6.089 -5.167 1.00 0.67 H new ATOM 0 HB3 LEU A 21 2.653 5.384 -5.273 1.00 0.67 H new ATOM 0 HG LEU A 21 1.921 7.517 -3.221 1.00 0.55 H new ATOM 0 HD11 LEU A 21 1.748 5.639 -1.598 1.00 0.63 H new ATOM 0 HD12 LEU A 21 0.531 5.486 -2.888 1.00 0.63 H new ATOM 0 HD13 LEU A 21 1.996 4.477 -2.922 1.00 0.63 H new ATOM 0 HD21 LEU A 21 3.957 6.683 -2.074 1.00 0.43 H new ATOM 0 HD22 LEU A 21 4.223 5.519 -3.394 1.00 0.43 H new ATOM 0 HD23 LEU A 21 4.336 7.267 -3.712 1.00 0.43 H new ATOM 335 N THR A 22 2.371 6.491 -7.975 1.00 0.22 N ATOM 336 CA THR A 22 2.895 6.008 -9.284 1.00 0.08 C ATOM 337 C THR A 22 3.765 7.093 -9.920 1.00 0.13 C ATOM 338 O THR A 22 4.833 6.824 -10.434 1.00 0.39 O ATOM 339 CB THR A 22 1.724 5.683 -10.214 1.00 0.15 C ATOM 340 OG1 THR A 22 0.967 6.862 -10.449 1.00 0.31 O ATOM 341 CG2 THR A 22 0.833 4.622 -9.567 1.00 0.12 C ATOM 0 H THR A 22 1.366 6.380 -7.842 1.00 0.22 H new ATOM 0 HA THR A 22 3.494 5.111 -9.125 1.00 0.08 H new ATOM 0 HB THR A 22 2.107 5.302 -11.161 1.00 0.15 H new ATOM 0 HG1 THR A 22 0.640 7.216 -9.596 1.00 0.31 H new ATOM 0 HG21 THR A 22 -0.000 4.392 -10.231 1.00 0.12 H new ATOM 0 HG22 THR A 22 1.415 3.718 -9.389 1.00 0.12 H new ATOM 0 HG23 THR A 22 0.448 4.999 -8.619 1.00 0.12 H new ATOM 349 N GLU A 23 3.318 8.320 -9.892 1.00 0.14 N ATOM 350 CA GLU A 23 4.122 9.419 -10.499 1.00 0.10 C ATOM 351 C GLU A 23 5.539 9.395 -9.923 1.00 0.19 C ATOM 352 O GLU A 23 6.489 9.790 -10.570 1.00 0.24 O ATOM 353 CB GLU A 23 3.465 10.765 -10.184 1.00 0.17 C ATOM 354 CG GLU A 23 2.048 10.790 -10.761 1.00 0.47 C ATOM 355 CD GLU A 23 2.023 11.667 -12.014 1.00 1.11 C ATOM 356 OE1 GLU A 23 2.962 11.588 -12.788 1.00 2.07 O ATOM 357 OE2 GLU A 23 1.063 12.404 -12.179 1.00 1.51 O ATOM 0 H GLU A 23 2.432 8.608 -9.476 1.00 0.14 H new ATOM 0 HA GLU A 23 4.168 9.281 -11.579 1.00 0.10 H new ATOM 0 HB2 GLU A 23 3.433 10.922 -9.106 1.00 0.17 H new ATOM 0 HB3 GLU A 23 4.056 11.578 -10.607 1.00 0.17 H new ATOM 0 HG2 GLU A 23 1.726 9.778 -11.006 1.00 0.47 H new ATOM 0 HG3 GLU A 23 1.349 11.177 -10.020 1.00 0.47 H new ATOM 364 N GLN A 24 5.690 8.935 -8.711 1.00 0.26 N ATOM 365 CA GLN A 24 7.047 8.887 -8.097 1.00 0.37 C ATOM 366 C GLN A 24 7.716 7.554 -8.443 1.00 0.28 C ATOM 367 O GLN A 24 7.091 6.512 -8.411 1.00 0.22 O ATOM 368 CB GLN A 24 6.925 9.016 -6.577 1.00 0.48 C ATOM 369 CG GLN A 24 6.268 10.354 -6.230 1.00 1.10 C ATOM 370 CD GLN A 24 7.228 11.497 -6.567 1.00 0.72 C ATOM 371 OE1 GLN A 24 8.155 11.764 -5.830 1.00 0.93 O ATOM 372 NE2 GLN A 24 7.043 12.186 -7.659 1.00 1.80 N ATOM 0 H GLN A 24 4.933 8.591 -8.120 1.00 0.26 H new ATOM 0 HA GLN A 24 7.650 9.709 -8.484 1.00 0.37 H new ATOM 0 HB2 GLN A 24 6.332 8.193 -6.178 1.00 0.48 H new ATOM 0 HB3 GLN A 24 7.910 8.952 -6.116 1.00 0.48 H new ATOM 0 HG2 GLN A 24 5.338 10.470 -6.787 1.00 1.10 H new ATOM 0 HG3 GLN A 24 6.011 10.381 -5.171 1.00 1.10 H new ATOM 0 HE21 GLN A 24 6.264 11.961 -8.278 1.00 1.80 H new ATOM 0 HE22 GLN A 24 7.677 12.949 -7.894 1.00 1.80 H new ATOM 381 N LYS A 25 8.981 7.583 -8.776 1.00 0.32 N ATOM 382 CA LYS A 25 9.698 6.322 -9.129 1.00 0.31 C ATOM 383 C LYS A 25 11.087 6.326 -8.485 1.00 0.43 C ATOM 384 O LYS A 25 11.790 7.316 -8.506 1.00 1.08 O ATOM 385 CB LYS A 25 9.846 6.228 -10.650 1.00 0.44 C ATOM 386 CG LYS A 25 8.513 5.806 -11.271 1.00 0.23 C ATOM 387 CD LYS A 25 8.453 4.281 -11.361 1.00 1.77 C ATOM 388 CE LYS A 25 7.014 3.842 -11.646 1.00 2.66 C ATOM 389 NZ LYS A 25 6.409 3.289 -10.402 1.00 4.34 N ATOM 0 H LYS A 25 9.550 8.429 -8.819 1.00 0.32 H new ATOM 0 HA LYS A 25 9.129 5.467 -8.763 1.00 0.31 H new ATOM 0 HB2 LYS A 25 10.159 7.190 -11.055 1.00 0.44 H new ATOM 0 HB3 LYS A 25 10.622 5.507 -10.906 1.00 0.44 H new ATOM 0 HG2 LYS A 25 7.685 6.178 -10.668 1.00 0.23 H new ATOM 0 HG3 LYS A 25 8.407 6.244 -12.263 1.00 0.23 H new ATOM 0 HD2 LYS A 25 9.116 3.926 -12.150 1.00 1.77 H new ATOM 0 HD3 LYS A 25 8.802 3.837 -10.429 1.00 1.77 H new ATOM 0 HE2 LYS A 25 6.428 4.689 -12.003 1.00 2.66 H new ATOM 0 HE3 LYS A 25 7.001 3.090 -12.435 1.00 2.66 H new ATOM 0 HZ1 LYS A 25 5.386 3.475 -10.401 1.00 4.34 H new ATOM 0 HZ2 LYS A 25 6.574 2.263 -10.362 1.00 4.34 H new ATOM 0 HZ3 LYS A 25 6.844 3.742 -9.573 1.00 4.34 H new ATOM 403 N THR A 26 11.488 5.221 -7.917 1.00 0.18 N ATOM 404 CA THR A 26 12.831 5.153 -7.274 1.00 0.17 C ATOM 405 C THR A 26 13.397 3.741 -7.440 1.00 0.15 C ATOM 406 O THR A 26 12.707 2.834 -7.862 1.00 0.24 O ATOM 407 CB THR A 26 12.703 5.481 -5.785 1.00 0.29 C ATOM 408 OG1 THR A 26 11.989 4.440 -5.133 1.00 0.50 O ATOM 409 CG2 THR A 26 11.951 6.802 -5.614 1.00 0.07 C ATOM 0 H THR A 26 10.942 4.361 -7.871 1.00 0.18 H new ATOM 0 HA THR A 26 13.499 5.874 -7.745 1.00 0.17 H new ATOM 0 HB THR A 26 13.696 5.572 -5.346 1.00 0.29 H new ATOM 0 HG1 THR A 26 11.907 4.647 -4.179 1.00 0.50 H new ATOM 0 HG21 THR A 26 11.861 7.034 -4.553 1.00 0.07 H new ATOM 0 HG22 THR A 26 12.499 7.600 -6.115 1.00 0.07 H new ATOM 0 HG23 THR A 26 10.957 6.714 -6.052 1.00 0.07 H new ATOM 417 N LEU A 27 14.645 3.543 -7.113 1.00 0.13 N ATOM 418 CA LEU A 27 15.240 2.184 -7.258 1.00 0.14 C ATOM 419 C LEU A 27 14.557 1.227 -6.278 1.00 0.18 C ATOM 420 O LEU A 27 14.595 0.024 -6.440 1.00 0.27 O ATOM 421 CB LEU A 27 16.751 2.250 -6.985 1.00 0.11 C ATOM 422 CG LEU A 27 17.033 2.314 -5.475 1.00 0.31 C ATOM 423 CD1 LEU A 27 17.344 0.911 -4.938 1.00 0.55 C ATOM 424 CD2 LEU A 27 18.243 3.221 -5.233 1.00 0.27 C ATOM 0 H LEU A 27 15.276 4.260 -6.753 1.00 0.13 H new ATOM 0 HA LEU A 27 15.087 1.819 -8.273 1.00 0.14 H new ATOM 0 HB2 LEU A 27 17.241 1.376 -7.414 1.00 0.11 H new ATOM 0 HB3 LEU A 27 17.175 3.126 -7.476 1.00 0.11 H new ATOM 0 HG LEU A 27 16.156 2.708 -4.961 1.00 0.31 H new ATOM 0 HD11 LEU A 27 17.542 0.967 -3.868 1.00 0.55 H new ATOM 0 HD12 LEU A 27 16.491 0.256 -5.115 1.00 0.55 H new ATOM 0 HD13 LEU A 27 18.220 0.512 -5.449 1.00 0.55 H new ATOM 0 HD21 LEU A 27 18.451 3.273 -4.164 1.00 0.27 H new ATOM 0 HD22 LEU A 27 19.111 2.816 -5.752 1.00 0.27 H new ATOM 0 HD23 LEU A 27 18.029 4.221 -5.610 1.00 0.27 H new ATOM 436 N CYS A 28 13.929 1.757 -5.262 1.00 0.19 N ATOM 437 CA CYS A 28 13.240 0.884 -4.272 1.00 0.21 C ATOM 438 C CYS A 28 12.170 0.057 -4.984 1.00 0.22 C ATOM 439 O CYS A 28 11.523 -0.784 -4.391 1.00 0.25 O ATOM 440 CB CYS A 28 12.581 1.756 -3.200 1.00 0.21 C ATOM 441 SG CYS A 28 12.912 1.061 -1.562 1.00 0.25 S ATOM 0 H CYS A 28 13.864 2.758 -5.076 1.00 0.19 H new ATOM 0 HA CYS A 28 13.965 0.217 -3.805 1.00 0.21 H new ATOM 0 HB2 CYS A 28 12.966 2.774 -3.258 1.00 0.21 H new ATOM 0 HB3 CYS A 28 11.506 1.811 -3.372 1.00 0.21 H new ATOM 446 N THR A 29 11.976 0.289 -6.253 1.00 0.22 N ATOM 447 CA THR A 29 10.947 -0.482 -7.005 1.00 0.25 C ATOM 448 C THR A 29 11.537 -1.820 -7.452 1.00 0.25 C ATOM 449 O THR A 29 10.826 -2.714 -7.870 1.00 0.43 O ATOM 450 CB THR A 29 10.507 0.317 -8.235 1.00 0.26 C ATOM 451 OG1 THR A 29 11.619 0.502 -9.100 1.00 0.28 O ATOM 452 CG2 THR A 29 9.967 1.680 -7.795 1.00 0.26 C ATOM 0 H THR A 29 12.487 0.980 -6.802 1.00 0.22 H new ATOM 0 HA THR A 29 10.086 -0.661 -6.361 1.00 0.25 H new ATOM 0 HB THR A 29 9.724 -0.228 -8.762 1.00 0.26 H new ATOM 0 HG1 THR A 29 12.127 1.290 -8.816 1.00 0.28 H new ATOM 0 HG21 THR A 29 9.654 2.248 -8.671 1.00 0.26 H new ATOM 0 HG22 THR A 29 9.114 1.537 -7.132 1.00 0.26 H new ATOM 0 HG23 THR A 29 10.748 2.228 -7.268 1.00 0.26 H new ATOM 460 N GLU A 30 12.830 -1.968 -7.368 1.00 0.24 N ATOM 461 CA GLU A 30 13.462 -3.249 -7.788 1.00 0.24 C ATOM 462 C GLU A 30 13.249 -4.305 -6.701 1.00 0.19 C ATOM 463 O GLU A 30 13.346 -5.490 -6.946 1.00 0.29 O ATOM 464 CB GLU A 30 14.962 -3.033 -8.000 1.00 0.33 C ATOM 465 CG GLU A 30 15.269 -3.016 -9.500 1.00 0.71 C ATOM 466 CD GLU A 30 15.092 -4.424 -10.072 1.00 1.86 C ATOM 467 OE1 GLU A 30 14.707 -5.304 -9.321 1.00 2.96 O ATOM 468 OE2 GLU A 30 15.345 -4.597 -11.254 1.00 2.10 O ATOM 0 H GLU A 30 13.476 -1.257 -7.026 1.00 0.24 H new ATOM 0 HA GLU A 30 13.008 -3.589 -8.719 1.00 0.24 H new ATOM 0 HB2 GLU A 30 15.273 -2.093 -7.544 1.00 0.33 H new ATOM 0 HB3 GLU A 30 15.527 -3.827 -7.511 1.00 0.33 H new ATOM 0 HG2 GLU A 30 14.605 -2.318 -10.010 1.00 0.71 H new ATOM 0 HG3 GLU A 30 16.288 -2.668 -9.670 1.00 0.71 H new ATOM 475 N LEU A 31 12.957 -3.882 -5.501 1.00 0.30 N ATOM 476 CA LEU A 31 12.736 -4.862 -4.401 1.00 0.24 C ATOM 477 C LEU A 31 11.566 -5.779 -4.761 1.00 0.31 C ATOM 478 O LEU A 31 11.065 -5.756 -5.867 1.00 1.07 O ATOM 479 CB LEU A 31 12.416 -4.111 -3.105 1.00 0.21 C ATOM 480 CG LEU A 31 13.412 -2.965 -2.919 1.00 0.23 C ATOM 481 CD1 LEU A 31 13.200 -2.322 -1.548 1.00 0.37 C ATOM 482 CD2 LEU A 31 14.839 -3.510 -3.010 1.00 0.17 C ATOM 0 H LEU A 31 12.862 -2.902 -5.236 1.00 0.30 H new ATOM 0 HA LEU A 31 13.636 -5.460 -4.262 1.00 0.24 H new ATOM 0 HB2 LEU A 31 11.399 -3.721 -3.140 1.00 0.21 H new ATOM 0 HB3 LEU A 31 12.467 -4.792 -2.256 1.00 0.21 H new ATOM 0 HG LEU A 31 13.256 -2.219 -3.698 1.00 0.23 H new ATOM 0 HD11 LEU A 31 13.910 -1.505 -1.415 1.00 0.37 H new ATOM 0 HD12 LEU A 31 12.184 -1.934 -1.481 1.00 0.37 H new ATOM 0 HD13 LEU A 31 13.355 -3.068 -0.768 1.00 0.37 H new ATOM 0 HD21 LEU A 31 15.549 -2.694 -2.878 1.00 0.17 H new ATOM 0 HD22 LEU A 31 14.994 -4.256 -2.231 1.00 0.17 H new ATOM 0 HD23 LEU A 31 14.992 -3.969 -3.987 1.00 0.17 H new ATOM 494 N THR A 32 11.126 -6.587 -3.835 1.00 0.49 N ATOM 495 CA THR A 32 9.989 -7.506 -4.124 1.00 0.38 C ATOM 496 C THR A 32 9.147 -7.687 -2.860 1.00 0.37 C ATOM 497 O THR A 32 9.526 -8.393 -1.946 1.00 0.51 O ATOM 498 CB THR A 32 10.532 -8.864 -4.575 1.00 0.34 C ATOM 499 OG1 THR A 32 11.402 -9.378 -3.577 1.00 0.46 O ATOM 500 CG2 THR A 32 11.298 -8.700 -5.888 1.00 0.43 C ATOM 0 H THR A 32 11.505 -6.650 -2.890 1.00 0.49 H new ATOM 0 HA THR A 32 9.371 -7.082 -4.915 1.00 0.38 H new ATOM 0 HB THR A 32 9.703 -9.555 -4.726 1.00 0.34 H new ATOM 0 HG1 THR A 32 11.011 -9.225 -2.692 1.00 0.46 H new ATOM 0 HG21 THR A 32 11.684 -9.668 -6.207 1.00 0.43 H new ATOM 0 HG22 THR A 32 10.629 -8.306 -6.653 1.00 0.43 H new ATOM 0 HG23 THR A 32 12.128 -8.009 -5.741 1.00 0.43 H new ATOM 508 N VAL A 33 8.008 -7.055 -2.799 1.00 0.45 N ATOM 509 CA VAL A 33 7.143 -7.191 -1.593 1.00 0.43 C ATOM 510 C VAL A 33 6.373 -8.510 -1.664 1.00 0.39 C ATOM 511 O VAL A 33 6.284 -9.134 -2.703 1.00 0.55 O ATOM 512 CB VAL A 33 6.155 -6.025 -1.540 1.00 0.43 C ATOM 513 CG1 VAL A 33 6.846 -4.746 -2.016 1.00 0.40 C ATOM 514 CG2 VAL A 33 4.963 -6.328 -2.451 1.00 0.47 C ATOM 0 H VAL A 33 7.638 -6.450 -3.532 1.00 0.45 H new ATOM 0 HA VAL A 33 7.764 -7.181 -0.697 1.00 0.43 H new ATOM 0 HB VAL A 33 5.808 -5.890 -0.516 1.00 0.43 H new ATOM 0 HG11 VAL A 33 6.141 -3.916 -1.978 1.00 0.40 H new ATOM 0 HG12 VAL A 33 7.697 -4.530 -1.370 1.00 0.40 H new ATOM 0 HG13 VAL A 33 7.194 -4.880 -3.040 1.00 0.40 H new ATOM 0 HG21 VAL A 33 4.257 -5.498 -2.415 1.00 0.47 H new ATOM 0 HG22 VAL A 33 5.312 -6.463 -3.475 1.00 0.47 H new ATOM 0 HG23 VAL A 33 4.469 -7.239 -2.113 1.00 0.47 H new ATOM 524 N THR A 34 5.816 -8.942 -0.566 1.00 0.24 N ATOM 525 CA THR A 34 5.051 -10.221 -0.571 1.00 0.19 C ATOM 526 C THR A 34 3.777 -10.051 -1.400 1.00 0.18 C ATOM 527 O THR A 34 3.125 -9.027 -1.352 1.00 0.50 O ATOM 528 CB THR A 34 4.679 -10.597 0.866 1.00 0.37 C ATOM 529 OG1 THR A 34 5.840 -11.041 1.553 1.00 0.48 O ATOM 530 CG2 THR A 34 3.635 -11.715 0.847 1.00 0.57 C ATOM 0 H THR A 34 5.858 -8.465 0.334 1.00 0.24 H new ATOM 0 HA THR A 34 5.664 -11.010 -1.007 1.00 0.19 H new ATOM 0 HB THR A 34 4.267 -9.726 1.376 1.00 0.37 H new ATOM 0 HG1 THR A 34 5.604 -11.280 2.474 1.00 0.48 H new ATOM 0 HG21 THR A 34 3.370 -11.983 1.870 1.00 0.57 H new ATOM 0 HG22 THR A 34 2.745 -11.373 0.319 1.00 0.57 H new ATOM 0 HG23 THR A 34 4.045 -12.587 0.338 1.00 0.57 H new ATOM 538 N ASP A 35 3.416 -11.048 -2.162 1.00 0.08 N ATOM 539 CA ASP A 35 2.184 -10.944 -2.994 1.00 0.21 C ATOM 540 C ASP A 35 0.993 -11.499 -2.212 1.00 0.40 C ATOM 541 O ASP A 35 0.850 -12.694 -2.047 1.00 1.20 O ATOM 542 CB ASP A 35 2.369 -11.747 -4.282 1.00 0.34 C ATOM 543 CG ASP A 35 1.350 -11.283 -5.324 1.00 0.61 C ATOM 544 OD1 ASP A 35 0.507 -10.472 -4.979 1.00 0.73 O ATOM 545 OD2 ASP A 35 1.430 -11.746 -6.451 1.00 1.58 O ATOM 0 H ASP A 35 3.922 -11.930 -2.244 1.00 0.08 H new ATOM 0 HA ASP A 35 2.000 -9.899 -3.242 1.00 0.21 H new ATOM 0 HB2 ASP A 35 3.381 -11.614 -4.664 1.00 0.34 H new ATOM 0 HB3 ASP A 35 2.241 -12.811 -4.081 1.00 0.34 H new ATOM 550 N ILE A 36 0.137 -10.642 -1.728 1.00 0.37 N ATOM 551 CA ILE A 36 -1.044 -11.122 -0.957 1.00 0.22 C ATOM 552 C ILE A 36 -2.173 -11.488 -1.925 1.00 0.38 C ATOM 553 O ILE A 36 -3.153 -12.097 -1.547 1.00 0.56 O ATOM 554 CB ILE A 36 -1.521 -10.018 -0.013 1.00 0.21 C ATOM 555 CG1 ILE A 36 -2.332 -8.988 -0.804 1.00 0.32 C ATOM 556 CG2 ILE A 36 -0.311 -9.332 0.623 1.00 0.29 C ATOM 557 CD1 ILE A 36 -2.385 -7.672 -0.026 1.00 0.32 C ATOM 0 H ILE A 36 0.204 -9.630 -1.833 1.00 0.37 H new ATOM 0 HA ILE A 36 -0.764 -12.001 -0.376 1.00 0.22 H new ATOM 0 HB ILE A 36 -2.145 -10.452 0.768 1.00 0.21 H new ATOM 0 HG12 ILE A 36 -1.879 -8.826 -1.782 1.00 0.32 H new ATOM 0 HG13 ILE A 36 -3.341 -9.361 -0.978 1.00 0.32 H new ATOM 0 HG21 ILE A 36 -0.651 -8.545 1.296 1.00 0.29 H new ATOM 0 HG22 ILE A 36 0.269 -10.064 1.185 1.00 0.29 H new ATOM 0 HG23 ILE A 36 0.313 -8.897 -0.158 1.00 0.29 H new ATOM 0 HD11 ILE A 36 -2.962 -6.939 -0.590 1.00 0.32 H new ATOM 0 HD12 ILE A 36 -2.858 -7.840 0.942 1.00 0.32 H new ATOM 0 HD13 ILE A 36 -1.373 -7.298 0.125 1.00 0.32 H new ATOM 569 N PHE A 37 -2.040 -11.120 -3.170 1.00 0.55 N ATOM 570 CA PHE A 37 -3.105 -11.446 -4.161 1.00 0.71 C ATOM 571 C PHE A 37 -2.768 -12.765 -4.858 1.00 0.76 C ATOM 572 O PHE A 37 -3.522 -13.257 -5.674 1.00 0.99 O ATOM 573 CB PHE A 37 -3.192 -10.327 -5.201 1.00 0.86 C ATOM 574 CG PHE A 37 -3.396 -9.005 -4.502 1.00 0.71 C ATOM 575 CD1 PHE A 37 -4.642 -8.692 -3.946 1.00 0.63 C ATOM 576 CD2 PHE A 37 -2.339 -8.091 -4.409 1.00 0.73 C ATOM 577 CE1 PHE A 37 -4.831 -7.465 -3.296 1.00 0.48 C ATOM 578 CE2 PHE A 37 -2.528 -6.865 -3.761 1.00 0.65 C ATOM 579 CZ PHE A 37 -3.774 -6.553 -3.205 1.00 0.48 C ATOM 0 H PHE A 37 -1.241 -10.608 -3.544 1.00 0.55 H new ATOM 0 HA PHE A 37 -4.062 -11.541 -3.648 1.00 0.71 H new ATOM 0 HB2 PHE A 37 -2.280 -10.298 -5.797 1.00 0.86 H new ATOM 0 HB3 PHE A 37 -4.016 -10.518 -5.888 1.00 0.86 H new ATOM 0 HD1 PHE A 37 -5.458 -9.396 -4.018 1.00 0.63 H new ATOM 0 HD2 PHE A 37 -1.378 -8.332 -4.838 1.00 0.73 H new ATOM 0 HE1 PHE A 37 -5.792 -7.224 -2.866 1.00 0.48 H new ATOM 0 HE2 PHE A 37 -1.713 -6.160 -3.690 1.00 0.65 H new ATOM 0 HZ PHE A 37 -3.920 -5.607 -2.705 1.00 0.48 H new ATOM 589 N ALA A 38 -1.640 -13.343 -4.543 1.00 0.58 N ATOM 590 CA ALA A 38 -1.258 -14.630 -5.189 1.00 0.61 C ATOM 591 C ALA A 38 -1.897 -15.793 -4.428 1.00 0.59 C ATOM 592 O ALA A 38 -1.795 -16.937 -4.824 1.00 0.72 O ATOM 593 CB ALA A 38 0.265 -14.780 -5.163 1.00 0.53 C ATOM 0 H ALA A 38 -0.968 -12.980 -3.867 1.00 0.58 H new ATOM 0 HA ALA A 38 -1.607 -14.636 -6.221 1.00 0.61 H new ATOM 0 HB1 ALA A 38 0.546 -15.721 -5.635 1.00 0.53 H new ATOM 0 HB2 ALA A 38 0.721 -13.952 -5.705 1.00 0.53 H new ATOM 0 HB3 ALA A 38 0.614 -14.774 -4.130 1.00 0.53 H new ATOM 599 N ALA A 39 -2.558 -15.509 -3.339 1.00 0.58 N ATOM 600 CA ALA A 39 -3.204 -16.599 -2.554 1.00 0.57 C ATOM 601 C ALA A 39 -4.257 -16.000 -1.620 1.00 0.62 C ATOM 602 O ALA A 39 -3.976 -15.660 -0.488 1.00 1.24 O ATOM 603 CB ALA A 39 -2.144 -17.330 -1.726 1.00 0.83 C ATOM 0 H ALA A 39 -2.679 -14.570 -2.959 1.00 0.58 H new ATOM 0 HA ALA A 39 -3.681 -17.303 -3.236 1.00 0.57 H new ATOM 0 HB1 ALA A 39 -2.617 -18.127 -1.152 1.00 0.83 H new ATOM 0 HB2 ALA A 39 -1.394 -17.758 -2.391 1.00 0.83 H new ATOM 0 HB3 ALA A 39 -1.666 -16.627 -1.044 1.00 0.83 H new ATOM 609 N SER A 40 -5.469 -15.868 -2.085 1.00 0.19 N ATOM 610 CA SER A 40 -6.539 -15.291 -1.223 1.00 0.44 C ATOM 611 C SER A 40 -7.883 -15.928 -1.582 1.00 0.46 C ATOM 612 O SER A 40 -8.391 -15.750 -2.671 1.00 0.76 O ATOM 613 CB SER A 40 -6.615 -13.780 -1.449 1.00 1.00 C ATOM 614 OG SER A 40 -5.508 -13.153 -0.814 1.00 2.64 O ATOM 0 H SER A 40 -5.764 -16.135 -3.024 1.00 0.19 H new ATOM 0 HA SER A 40 -6.310 -15.492 -0.176 1.00 0.44 H new ATOM 0 HB2 SER A 40 -6.609 -13.560 -2.516 1.00 1.00 H new ATOM 0 HB3 SER A 40 -7.549 -13.387 -1.048 1.00 1.00 H new ATOM 0 HG SER A 40 -4.836 -12.916 -1.487 1.00 2.64 H new ATOM 620 N LYS A 41 -8.458 -16.668 -0.670 1.00 0.45 N ATOM 621 CA LYS A 41 -9.771 -17.324 -0.946 1.00 0.88 C ATOM 622 C LYS A 41 -10.672 -17.189 0.283 1.00 0.72 C ATOM 623 O LYS A 41 -11.508 -16.310 0.357 1.00 1.36 O ATOM 624 CB LYS A 41 -9.547 -18.807 -1.252 1.00 1.17 C ATOM 625 CG LYS A 41 -8.641 -18.951 -2.476 1.00 1.74 C ATOM 626 CD LYS A 41 -7.198 -19.177 -2.021 1.00 1.96 C ATOM 627 CE LYS A 41 -6.259 -19.060 -3.223 1.00 2.89 C ATOM 628 NZ LYS A 41 -6.374 -17.696 -3.812 1.00 4.37 N ATOM 0 H LYS A 41 -8.073 -16.847 0.258 1.00 0.45 H new ATOM 0 HA LYS A 41 -10.245 -16.845 -1.802 1.00 0.88 H new ATOM 0 HB2 LYS A 41 -9.094 -19.301 -0.392 1.00 1.17 H new ATOM 0 HB3 LYS A 41 -10.502 -19.299 -1.435 1.00 1.17 H new ATOM 0 HG2 LYS A 41 -8.974 -19.787 -3.092 1.00 1.74 H new ATOM 0 HG3 LYS A 41 -8.702 -18.055 -3.094 1.00 1.74 H new ATOM 0 HD2 LYS A 41 -6.926 -18.444 -1.261 1.00 1.96 H new ATOM 0 HD3 LYS A 41 -7.100 -20.162 -1.564 1.00 1.96 H new ATOM 0 HE2 LYS A 41 -5.231 -19.249 -2.915 1.00 2.89 H new ATOM 0 HE3 LYS A 41 -6.511 -19.813 -3.970 1.00 2.89 H new ATOM 0 HZ1 LYS A 41 -6.769 -17.764 -4.772 1.00 4.37 H new ATOM 0 HZ2 LYS A 41 -7.001 -17.114 -3.220 1.00 4.37 H new ATOM 0 HZ3 LYS A 41 -5.433 -17.256 -3.856 1.00 4.37 H new ATOM 642 N ASP A 42 -10.508 -18.052 1.248 1.00 0.15 N ATOM 643 CA ASP A 42 -11.357 -17.971 2.470 1.00 0.56 C ATOM 644 C ASP A 42 -11.270 -16.562 3.058 1.00 0.39 C ATOM 645 O ASP A 42 -12.119 -16.144 3.821 1.00 0.28 O ATOM 646 CB ASP A 42 -10.861 -18.985 3.503 1.00 0.94 C ATOM 647 CG ASP A 42 -10.480 -20.289 2.799 1.00 1.41 C ATOM 648 OD1 ASP A 42 -10.933 -20.490 1.684 1.00 1.65 O ATOM 649 OD2 ASP A 42 -9.743 -21.063 3.385 1.00 2.41 O ATOM 0 H ASP A 42 -9.824 -18.809 1.243 1.00 0.15 H new ATOM 0 HA ASP A 42 -12.392 -18.193 2.209 1.00 0.56 H new ATOM 0 HB2 ASP A 42 -10.000 -18.583 4.038 1.00 0.94 H new ATOM 0 HB3 ASP A 42 -11.637 -19.173 4.245 1.00 0.94 H new ATOM 654 N THR A 43 -10.252 -15.825 2.707 1.00 0.42 N ATOM 655 CA THR A 43 -10.112 -14.442 3.246 1.00 0.26 C ATOM 656 C THR A 43 -11.194 -13.547 2.638 1.00 0.29 C ATOM 657 O THR A 43 -12.003 -13.985 1.845 1.00 1.05 O ATOM 658 CB THR A 43 -8.731 -13.891 2.884 1.00 0.12 C ATOM 659 OG1 THR A 43 -8.385 -14.310 1.571 1.00 0.43 O ATOM 660 CG2 THR A 43 -7.694 -14.414 3.879 1.00 0.63 C ATOM 0 H THR A 43 -9.511 -16.120 2.071 1.00 0.42 H new ATOM 0 HA THR A 43 -10.222 -14.461 4.330 1.00 0.26 H new ATOM 0 HB THR A 43 -8.752 -12.802 2.924 1.00 0.12 H new ATOM 0 HG1 THR A 43 -7.501 -13.956 1.337 1.00 0.43 H new ATOM 0 HG21 THR A 43 -6.711 -14.021 3.620 1.00 0.63 H new ATOM 0 HG22 THR A 43 -7.960 -14.091 4.885 1.00 0.63 H new ATOM 0 HG23 THR A 43 -7.671 -15.503 3.841 1.00 0.63 H new ATOM 668 N THR A 44 -11.215 -12.294 3.005 1.00 0.57 N ATOM 669 CA THR A 44 -12.244 -11.370 2.448 1.00 0.49 C ATOM 670 C THR A 44 -11.646 -9.969 2.304 1.00 0.35 C ATOM 671 O THR A 44 -10.518 -9.724 2.680 1.00 0.46 O ATOM 672 CB THR A 44 -13.446 -11.318 3.394 1.00 0.46 C ATOM 673 OG1 THR A 44 -13.296 -12.306 4.403 1.00 1.30 O ATOM 674 CG2 THR A 44 -14.730 -11.580 2.606 1.00 1.47 C ATOM 0 H THR A 44 -10.564 -11.871 3.666 1.00 0.57 H new ATOM 0 HA THR A 44 -12.566 -11.729 1.471 1.00 0.49 H new ATOM 0 HB THR A 44 -13.502 -10.333 3.857 1.00 0.46 H new ATOM 0 HG1 THR A 44 -14.064 -12.273 5.010 1.00 1.30 H new ATOM 0 HG21 THR A 44 -15.585 -11.543 3.281 1.00 1.47 H new ATOM 0 HG22 THR A 44 -14.844 -10.820 1.833 1.00 1.47 H new ATOM 0 HG23 THR A 44 -14.677 -12.565 2.141 1.00 1.47 H new ATOM 682 N GLU A 45 -12.395 -9.048 1.759 1.00 0.40 N ATOM 683 CA GLU A 45 -11.869 -7.664 1.589 1.00 0.32 C ATOM 684 C GLU A 45 -11.207 -7.206 2.891 1.00 0.27 C ATOM 685 O GLU A 45 -10.180 -6.556 2.882 1.00 0.30 O ATOM 686 CB GLU A 45 -13.018 -6.710 1.243 1.00 0.23 C ATOM 687 CG GLU A 45 -14.183 -7.496 0.635 1.00 0.16 C ATOM 688 CD GLU A 45 -15.005 -8.141 1.753 1.00 1.53 C ATOM 689 OE1 GLU A 45 -14.526 -8.164 2.875 1.00 2.73 O ATOM 690 OE2 GLU A 45 -16.098 -8.601 1.469 1.00 1.95 O ATOM 0 H GLU A 45 -13.347 -9.195 1.425 1.00 0.40 H new ATOM 0 HA GLU A 45 -11.137 -7.656 0.782 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -13.350 -6.186 2.139 1.00 0.23 H new ATOM 0 HB3 GLU A 45 -12.673 -5.952 0.540 1.00 0.23 H new ATOM 0 HG2 GLU A 45 -14.813 -6.832 0.043 1.00 0.16 H new ATOM 0 HG3 GLU A 45 -13.804 -8.263 -0.041 1.00 0.16 H new ATOM 697 N LYS A 46 -11.787 -7.540 4.011 1.00 0.24 N ATOM 698 CA LYS A 46 -11.190 -7.124 5.312 1.00 0.22 C ATOM 699 C LYS A 46 -9.797 -7.739 5.454 1.00 0.19 C ATOM 700 O LYS A 46 -8.805 -7.042 5.534 1.00 0.20 O ATOM 701 CB LYS A 46 -12.081 -7.607 6.459 1.00 0.27 C ATOM 702 CG LYS A 46 -13.458 -6.952 6.347 1.00 0.43 C ATOM 703 CD LYS A 46 -13.706 -6.072 7.574 1.00 0.46 C ATOM 704 CE LYS A 46 -15.080 -5.409 7.457 1.00 1.10 C ATOM 705 NZ LYS A 46 -14.910 -3.933 7.336 1.00 1.62 N ATOM 0 H LYS A 46 -12.648 -8.083 4.082 1.00 0.24 H new ATOM 0 HA LYS A 46 -11.112 -6.037 5.345 1.00 0.22 H new ATOM 0 HB2 LYS A 46 -12.179 -8.692 6.425 1.00 0.27 H new ATOM 0 HB3 LYS A 46 -11.625 -7.358 7.417 1.00 0.27 H new ATOM 0 HG2 LYS A 46 -13.514 -6.352 5.439 1.00 0.43 H new ATOM 0 HG3 LYS A 46 -14.231 -7.717 6.272 1.00 0.43 H new ATOM 0 HD2 LYS A 46 -13.657 -6.673 8.482 1.00 0.46 H new ATOM 0 HD3 LYS A 46 -12.929 -5.312 7.653 1.00 0.46 H new ATOM 0 HE2 LYS A 46 -15.610 -5.797 6.587 1.00 1.10 H new ATOM 0 HE3 LYS A 46 -15.686 -5.646 8.332 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 -15.843 -3.481 7.256 1.00 1.62 H new ATOM 0 HZ2 LYS A 46 -14.420 -3.570 8.179 1.00 1.62 H new ATOM 0 HZ3 LYS A 46 -14.347 -3.717 6.488 1.00 1.62 H new ATOM 719 N GLU A 47 -9.713 -9.041 5.488 1.00 0.16 N ATOM 720 CA GLU A 47 -8.383 -9.699 5.625 1.00 0.15 C ATOM 721 C GLU A 47 -7.477 -9.268 4.470 1.00 0.10 C ATOM 722 O GLU A 47 -6.274 -9.429 4.518 1.00 0.17 O ATOM 723 CB GLU A 47 -8.560 -11.218 5.594 1.00 0.16 C ATOM 724 CG GLU A 47 -8.786 -11.736 7.016 1.00 0.21 C ATOM 725 CD GLU A 47 -10.025 -11.066 7.613 1.00 1.58 C ATOM 726 OE1 GLU A 47 -10.921 -10.737 6.853 1.00 2.77 O ATOM 727 OE2 GLU A 47 -10.057 -10.893 8.820 1.00 1.97 O ATOM 0 H GLU A 47 -10.508 -9.677 5.427 1.00 0.16 H new ATOM 0 HA GLU A 47 -7.929 -9.405 6.571 1.00 0.15 H new ATOM 0 HB2 GLU A 47 -9.406 -11.483 4.960 1.00 0.16 H new ATOM 0 HB3 GLU A 47 -7.678 -11.689 5.160 1.00 0.16 H new ATOM 0 HG2 GLU A 47 -8.915 -12.818 7.004 1.00 0.21 H new ATOM 0 HG3 GLU A 47 -7.913 -11.526 7.634 1.00 0.21 H new ATOM 734 N THR A 48 -8.045 -8.720 3.430 1.00 0.12 N ATOM 735 CA THR A 48 -7.215 -8.280 2.273 1.00 0.11 C ATOM 736 C THR A 48 -6.509 -6.968 2.621 1.00 0.10 C ATOM 737 O THR A 48 -5.313 -6.834 2.456 1.00 0.11 O ATOM 738 CB THR A 48 -8.113 -8.068 1.052 1.00 0.13 C ATOM 739 OG1 THR A 48 -9.014 -9.160 0.935 1.00 0.15 O ATOM 740 CG2 THR A 48 -7.251 -7.976 -0.208 1.00 0.17 C ATOM 0 H THR A 48 -9.047 -8.558 3.332 1.00 0.12 H new ATOM 0 HA THR A 48 -6.471 -9.044 2.048 1.00 0.11 H new ATOM 0 HB THR A 48 -8.677 -7.143 1.170 1.00 0.13 H new ATOM 0 HG1 THR A 48 -9.691 -9.102 1.641 1.00 0.15 H new ATOM 0 HG21 THR A 48 -7.892 -7.825 -1.077 1.00 0.17 H new ATOM 0 HG22 THR A 48 -6.561 -7.138 -0.116 1.00 0.17 H new ATOM 0 HG23 THR A 48 -6.686 -8.900 -0.330 1.00 0.17 H new ATOM 748 N PHE A 49 -7.239 -5.999 3.100 1.00 0.10 N ATOM 749 CA PHE A 49 -6.608 -4.697 3.457 1.00 0.11 C ATOM 750 C PHE A 49 -5.614 -4.907 4.602 1.00 0.15 C ATOM 751 O PHE A 49 -4.658 -4.172 4.748 1.00 0.27 O ATOM 752 CB PHE A 49 -7.691 -3.709 3.896 1.00 0.11 C ATOM 753 CG PHE A 49 -8.690 -3.528 2.779 1.00 0.09 C ATOM 754 CD1 PHE A 49 -8.289 -2.949 1.568 1.00 0.06 C ATOM 755 CD2 PHE A 49 -10.020 -3.938 2.951 1.00 0.15 C ATOM 756 CE1 PHE A 49 -9.214 -2.781 0.532 1.00 0.10 C ATOM 757 CE2 PHE A 49 -10.944 -3.769 1.914 1.00 0.14 C ATOM 758 CZ PHE A 49 -10.542 -3.191 0.704 1.00 0.11 C ATOM 0 H PHE A 49 -8.245 -6.052 3.260 1.00 0.10 H new ATOM 0 HA PHE A 49 -6.082 -4.298 2.589 1.00 0.11 H new ATOM 0 HB2 PHE A 49 -8.193 -4.077 4.791 1.00 0.11 H new ATOM 0 HB3 PHE A 49 -7.241 -2.751 4.154 1.00 0.11 H new ATOM 0 HD1 PHE A 49 -7.265 -2.632 1.434 1.00 0.06 H new ATOM 0 HD2 PHE A 49 -10.331 -4.384 3.884 1.00 0.15 H new ATOM 0 HE1 PHE A 49 -8.904 -2.335 -0.401 1.00 0.10 H new ATOM 0 HE2 PHE A 49 -11.968 -4.085 2.047 1.00 0.14 H new ATOM 0 HZ PHE A 49 -11.256 -3.061 -0.096 1.00 0.11 H new ATOM 768 N CYS A 50 -5.832 -5.904 5.415 1.00 0.08 N ATOM 769 CA CYS A 50 -4.898 -6.158 6.547 1.00 0.13 C ATOM 770 C CYS A 50 -3.565 -6.677 6.005 1.00 0.14 C ATOM 771 O CYS A 50 -2.538 -6.041 6.141 1.00 0.19 O ATOM 772 CB CYS A 50 -5.504 -7.203 7.487 1.00 0.14 C ATOM 773 SG CYS A 50 -4.174 -8.106 8.318 1.00 0.22 S ATOM 0 H CYS A 50 -6.616 -6.553 5.344 1.00 0.08 H new ATOM 0 HA CYS A 50 -4.733 -5.229 7.093 1.00 0.13 H new ATOM 0 HB2 CYS A 50 -6.145 -6.718 8.223 1.00 0.14 H new ATOM 0 HB3 CYS A 50 -6.132 -7.894 6.924 1.00 0.14 H new ATOM 778 N ARG A 51 -3.571 -7.828 5.390 1.00 0.13 N ATOM 779 CA ARG A 51 -2.304 -8.388 4.840 1.00 0.18 C ATOM 780 C ARG A 51 -1.564 -7.302 4.057 1.00 0.23 C ATOM 781 O ARG A 51 -0.356 -7.187 4.128 1.00 0.25 O ATOM 782 CB ARG A 51 -2.627 -9.557 3.907 1.00 0.18 C ATOM 783 CG ARG A 51 -3.106 -10.752 4.734 1.00 0.20 C ATOM 784 CD ARG A 51 -3.897 -11.707 3.839 1.00 0.37 C ATOM 785 NE ARG A 51 -3.035 -12.161 2.712 1.00 1.08 N ATOM 786 CZ ARG A 51 -3.385 -13.196 1.997 1.00 1.18 C ATOM 787 NH1 ARG A 51 -4.491 -13.833 2.270 1.00 0.54 N ATOM 788 NH2 ARG A 51 -2.629 -13.594 1.011 1.00 2.16 N ATOM 0 H ARG A 51 -4.399 -8.405 5.245 1.00 0.13 H new ATOM 0 HA ARG A 51 -1.676 -8.738 5.659 1.00 0.18 H new ATOM 0 HB2 ARG A 51 -3.396 -9.264 3.192 1.00 0.18 H new ATOM 0 HB3 ARG A 51 -1.744 -9.831 3.330 1.00 0.18 H new ATOM 0 HG2 ARG A 51 -2.253 -11.270 5.172 1.00 0.20 H new ATOM 0 HG3 ARG A 51 -3.730 -10.410 5.560 1.00 0.20 H new ATOM 0 HD2 ARG A 51 -4.239 -12.565 4.418 1.00 0.37 H new ATOM 0 HD3 ARG A 51 -4.786 -11.208 3.453 1.00 0.37 H new ATOM 0 HE ARG A 51 -2.171 -11.663 2.499 1.00 1.08 H new ATOM 0 HH11 ARG A 51 -5.081 -13.522 3.042 1.00 0.54 H new ATOM 0 HH12 ARG A 51 -4.765 -14.642 1.712 1.00 0.54 H new ATOM 0 HH21 ARG A 51 -1.764 -13.097 0.798 1.00 2.16 H new ATOM 0 HH22 ARG A 51 -2.903 -14.403 0.453 1.00 2.16 H new ATOM 802 N ALA A 52 -2.277 -6.503 3.312 1.00 0.24 N ATOM 803 CA ALA A 52 -1.612 -5.426 2.525 1.00 0.28 C ATOM 804 C ALA A 52 -0.807 -4.530 3.469 1.00 0.29 C ATOM 805 O ALA A 52 0.359 -4.271 3.249 1.00 0.32 O ATOM 806 CB ALA A 52 -2.674 -4.589 1.809 1.00 0.33 C ATOM 0 H ALA A 52 -3.291 -6.549 3.214 1.00 0.24 H new ATOM 0 HA ALA A 52 -0.944 -5.872 1.788 1.00 0.28 H new ATOM 0 HB1 ALA A 52 -2.189 -3.801 1.233 1.00 0.33 H new ATOM 0 HB2 ALA A 52 -3.249 -5.227 1.138 1.00 0.33 H new ATOM 0 HB3 ALA A 52 -3.342 -4.142 2.545 1.00 0.33 H new ATOM 812 N ALA A 53 -1.421 -4.053 4.517 1.00 0.29 N ATOM 813 CA ALA A 53 -0.691 -3.173 5.472 1.00 0.30 C ATOM 814 C ALA A 53 0.497 -3.935 6.064 1.00 0.27 C ATOM 815 O ALA A 53 1.601 -3.432 6.127 1.00 0.25 O ATOM 816 CB ALA A 53 -1.635 -2.746 6.597 1.00 0.30 C ATOM 0 H ALA A 53 -2.397 -4.235 4.753 1.00 0.29 H new ATOM 0 HA ALA A 53 -0.330 -2.289 4.946 1.00 0.30 H new ATOM 0 HB1 ALA A 53 -1.101 -2.102 7.296 1.00 0.30 H new ATOM 0 HB2 ALA A 53 -2.480 -2.202 6.176 1.00 0.30 H new ATOM 0 HB3 ALA A 53 -1.998 -3.629 7.123 1.00 0.30 H new ATOM 822 N THR A 54 0.280 -5.147 6.499 1.00 0.29 N ATOM 823 CA THR A 54 1.397 -5.938 7.085 1.00 0.28 C ATOM 824 C THR A 54 2.614 -5.868 6.160 1.00 0.27 C ATOM 825 O THR A 54 3.736 -5.727 6.604 1.00 0.28 O ATOM 826 CB THR A 54 0.960 -7.397 7.245 1.00 0.29 C ATOM 827 OG1 THR A 54 -0.246 -7.449 7.994 1.00 0.35 O ATOM 828 CG2 THR A 54 2.052 -8.182 7.976 1.00 0.23 C ATOM 0 H THR A 54 -0.622 -5.622 6.473 1.00 0.29 H new ATOM 0 HA THR A 54 1.659 -5.528 8.060 1.00 0.28 H new ATOM 0 HB THR A 54 0.796 -7.838 6.262 1.00 0.29 H new ATOM 0 HG1 THR A 54 -0.528 -8.382 8.096 1.00 0.35 H new ATOM 0 HG21 THR A 54 1.740 -9.220 8.089 1.00 0.23 H new ATOM 0 HG22 THR A 54 2.976 -8.142 7.400 1.00 0.23 H new ATOM 0 HG23 THR A 54 2.218 -7.744 8.960 1.00 0.23 H new ATOM 836 N VAL A 55 2.399 -5.963 4.876 1.00 0.28 N ATOM 837 CA VAL A 55 3.543 -5.902 3.924 1.00 0.27 C ATOM 838 C VAL A 55 4.119 -4.484 3.908 1.00 0.23 C ATOM 839 O VAL A 55 5.254 -4.260 4.281 1.00 0.26 O ATOM 840 CB VAL A 55 3.058 -6.271 2.521 1.00 0.27 C ATOM 841 CG1 VAL A 55 4.203 -6.102 1.522 1.00 0.28 C ATOM 842 CG2 VAL A 55 2.585 -7.726 2.513 1.00 0.28 C ATOM 0 H VAL A 55 1.481 -6.080 4.446 1.00 0.28 H new ATOM 0 HA VAL A 55 4.315 -6.604 4.238 1.00 0.27 H new ATOM 0 HB VAL A 55 2.233 -5.617 2.239 1.00 0.27 H new ATOM 0 HG11 VAL A 55 3.856 -6.365 0.523 1.00 0.28 H new ATOM 0 HG12 VAL A 55 4.541 -5.066 1.527 1.00 0.28 H new ATOM 0 HG13 VAL A 55 5.030 -6.754 1.802 1.00 0.28 H new ATOM 0 HG21 VAL A 55 2.239 -7.991 1.514 1.00 0.28 H new ATOM 0 HG22 VAL A 55 3.411 -8.379 2.796 1.00 0.28 H new ATOM 0 HG23 VAL A 55 1.768 -7.847 3.224 1.00 0.28 H new ATOM 852 N LEU A 56 3.345 -3.525 3.479 1.00 0.16 N ATOM 853 CA LEU A 56 3.848 -2.122 3.439 1.00 0.12 C ATOM 854 C LEU A 56 4.529 -1.789 4.767 1.00 0.15 C ATOM 855 O LEU A 56 5.445 -0.994 4.824 1.00 0.15 O ATOM 856 CB LEU A 56 2.676 -1.165 3.210 1.00 0.07 C ATOM 857 CG LEU A 56 1.906 -1.586 1.957 1.00 0.13 C ATOM 858 CD1 LEU A 56 0.728 -0.635 1.739 1.00 0.02 C ATOM 859 CD2 LEU A 56 2.834 -1.530 0.741 1.00 0.29 C ATOM 0 H LEU A 56 2.386 -3.652 3.155 1.00 0.16 H new ATOM 0 HA LEU A 56 4.566 -2.015 2.626 1.00 0.12 H new ATOM 0 HB2 LEU A 56 2.013 -1.172 4.076 1.00 0.07 H new ATOM 0 HB3 LEU A 56 3.043 -0.145 3.098 1.00 0.07 H new ATOM 0 HG LEU A 56 1.536 -2.603 2.085 1.00 0.13 H new ATOM 0 HD11 LEU A 56 0.179 -0.935 0.846 1.00 0.02 H new ATOM 0 HD12 LEU A 56 0.065 -0.674 2.603 1.00 0.02 H new ATOM 0 HD13 LEU A 56 1.100 0.382 1.612 1.00 0.02 H new ATOM 0 HD21 LEU A 56 2.284 -1.830 -0.151 1.00 0.29 H new ATOM 0 HD22 LEU A 56 3.205 -0.513 0.613 1.00 0.29 H new ATOM 0 HD23 LEU A 56 3.675 -2.207 0.894 1.00 0.29 H new ATOM 871 N ARG A 57 4.090 -2.389 5.838 1.00 0.18 N ATOM 872 CA ARG A 57 4.717 -2.103 7.158 1.00 0.22 C ATOM 873 C ARG A 57 6.173 -2.570 7.141 1.00 0.23 C ATOM 874 O ARG A 57 7.091 -1.779 7.241 1.00 0.21 O ATOM 875 CB ARG A 57 3.955 -2.846 8.258 1.00 0.28 C ATOM 876 CG ARG A 57 4.578 -2.524 9.618 1.00 0.54 C ATOM 877 CD ARG A 57 3.588 -2.875 10.730 1.00 0.46 C ATOM 878 NE ARG A 57 2.712 -3.994 10.281 1.00 1.45 N ATOM 879 CZ ARG A 57 2.002 -4.657 11.151 1.00 1.67 C ATOM 880 NH1 ARG A 57 2.058 -4.339 12.416 1.00 0.47 N ATOM 881 NH2 ARG A 57 1.235 -5.636 10.758 1.00 3.27 N ATOM 0 H ARG A 57 3.325 -3.064 5.856 1.00 0.18 H new ATOM 0 HA ARG A 57 4.681 -1.031 7.353 1.00 0.22 H new ATOM 0 HB2 ARG A 57 2.905 -2.554 8.249 1.00 0.28 H new ATOM 0 HB3 ARG A 57 3.988 -3.920 8.076 1.00 0.28 H new ATOM 0 HG2 ARG A 57 5.502 -3.087 9.749 1.00 0.54 H new ATOM 0 HG3 ARG A 57 4.839 -1.467 9.669 1.00 0.54 H new ATOM 0 HD2 ARG A 57 4.126 -3.161 11.634 1.00 0.46 H new ATOM 0 HD3 ARG A 57 2.983 -2.004 10.981 1.00 0.46 H new ATOM 0 HE ARG A 57 2.668 -4.241 9.292 1.00 1.45 H new ATOM 0 HH11 ARG A 57 2.657 -3.572 12.723 1.00 0.47 H new ATOM 0 HH12 ARG A 57 1.503 -4.857 13.097 1.00 0.47 H new ATOM 0 HH21 ARG A 57 1.190 -5.884 9.770 1.00 3.27 H new ATOM 0 HH22 ARG A 57 0.680 -6.154 11.439 1.00 3.27 H new ATOM 895 N GLN A 58 6.393 -3.850 7.015 1.00 0.27 N ATOM 896 CA GLN A 58 7.791 -4.368 6.994 1.00 0.29 C ATOM 897 C GLN A 58 8.531 -3.808 5.777 1.00 0.28 C ATOM 898 O GLN A 58 9.705 -4.058 5.586 1.00 0.30 O ATOM 899 CB GLN A 58 7.766 -5.896 6.914 1.00 0.32 C ATOM 900 CG GLN A 58 6.942 -6.331 5.700 1.00 0.36 C ATOM 901 CD GLN A 58 6.891 -7.858 5.638 1.00 0.82 C ATOM 902 OE1 GLN A 58 6.423 -8.501 6.558 1.00 1.90 O ATOM 903 NE2 GLN A 58 7.355 -8.473 4.584 1.00 0.51 N ATOM 0 H GLN A 58 5.666 -4.560 6.926 1.00 0.27 H new ATOM 0 HA GLN A 58 8.304 -4.057 7.904 1.00 0.29 H new ATOM 0 HB2 GLN A 58 8.782 -6.283 6.835 1.00 0.32 H new ATOM 0 HB3 GLN A 58 7.337 -6.311 7.826 1.00 0.32 H new ATOM 0 HG2 GLN A 58 5.933 -5.925 5.768 1.00 0.36 H new ATOM 0 HG3 GLN A 58 7.384 -5.934 4.786 1.00 0.36 H new ATOM 0 HE21 GLN A 58 7.748 -7.935 3.811 1.00 0.51 H new ATOM 0 HE22 GLN A 58 7.325 -9.491 4.533 1.00 0.51 H new ATOM 912 N PHE A 59 7.857 -3.058 4.948 1.00 0.24 N ATOM 913 CA PHE A 59 8.530 -2.493 3.743 1.00 0.23 C ATOM 914 C PHE A 59 9.242 -1.185 4.105 1.00 0.21 C ATOM 915 O PHE A 59 10.455 -1.126 4.167 1.00 0.24 O ATOM 916 CB PHE A 59 7.490 -2.223 2.655 1.00 0.19 C ATOM 917 CG PHE A 59 8.189 -1.806 1.383 1.00 0.21 C ATOM 918 CD1 PHE A 59 8.721 -2.777 0.524 1.00 0.27 C ATOM 919 CD2 PHE A 59 8.305 -0.449 1.060 1.00 0.16 C ATOM 920 CE1 PHE A 59 9.368 -2.390 -0.656 1.00 0.29 C ATOM 921 CE2 PHE A 59 8.953 -0.062 -0.119 1.00 0.18 C ATOM 922 CZ PHE A 59 9.485 -1.032 -0.977 1.00 0.25 C ATOM 0 H PHE A 59 6.872 -2.812 5.052 1.00 0.24 H new ATOM 0 HA PHE A 59 9.264 -3.210 3.377 1.00 0.23 H new ATOM 0 HB2 PHE A 59 6.893 -3.117 2.478 1.00 0.19 H new ATOM 0 HB3 PHE A 59 6.804 -1.440 2.979 1.00 0.19 H new ATOM 0 HD1 PHE A 59 8.632 -3.824 0.772 1.00 0.27 H new ATOM 0 HD2 PHE A 59 7.894 0.300 1.721 1.00 0.16 H new ATOM 0 HE1 PHE A 59 9.777 -3.139 -1.318 1.00 0.29 H new ATOM 0 HE2 PHE A 59 9.043 0.985 -0.367 1.00 0.18 H new ATOM 0 HZ PHE A 59 9.985 -0.733 -1.886 1.00 0.25 H new ATOM 932 N TYR A 60 8.502 -0.133 4.331 1.00 0.16 N ATOM 933 CA TYR A 60 9.147 1.169 4.673 1.00 0.14 C ATOM 934 C TYR A 60 9.673 1.134 6.110 1.00 0.20 C ATOM 935 O TYR A 60 10.283 2.075 6.577 1.00 0.24 O ATOM 936 CB TYR A 60 8.126 2.303 4.530 1.00 0.08 C ATOM 937 CG TYR A 60 7.032 2.141 5.560 1.00 0.13 C ATOM 938 CD1 TYR A 60 7.244 2.558 6.880 1.00 0.20 C ATOM 939 CD2 TYR A 60 5.806 1.577 5.193 1.00 0.12 C ATOM 940 CE1 TYR A 60 6.228 2.410 7.832 1.00 0.27 C ATOM 941 CE2 TYR A 60 4.790 1.429 6.144 1.00 0.19 C ATOM 942 CZ TYR A 60 5.001 1.844 7.465 1.00 0.26 C ATOM 943 OH TYR A 60 4.000 1.698 8.403 1.00 0.33 O ATOM 0 H TYR A 60 7.483 -0.118 4.294 1.00 0.16 H new ATOM 0 HA TYR A 60 9.981 1.340 3.992 1.00 0.14 H new ATOM 0 HB2 TYR A 60 8.619 3.267 4.658 1.00 0.08 H new ATOM 0 HB3 TYR A 60 7.698 2.295 3.528 1.00 0.08 H new ATOM 0 HD1 TYR A 60 8.191 2.994 7.164 1.00 0.20 H new ATOM 0 HD2 TYR A 60 5.643 1.255 4.175 1.00 0.12 H new ATOM 0 HE1 TYR A 60 6.391 2.733 8.850 1.00 0.27 H new ATOM 0 HE2 TYR A 60 3.843 0.995 5.859 1.00 0.19 H new ATOM 0 HH TYR A 60 4.076 2.407 9.076 1.00 0.33 H new ATOM 953 N SER A 61 9.447 0.061 6.817 1.00 0.23 N ATOM 954 CA SER A 61 9.943 -0.016 8.221 1.00 0.29 C ATOM 955 C SER A 61 11.393 -0.504 8.223 1.00 0.41 C ATOM 956 O SER A 61 12.234 0.021 8.924 1.00 0.51 O ATOM 957 CB SER A 61 9.076 -0.989 9.019 1.00 0.22 C ATOM 958 OG SER A 61 7.752 -0.478 9.104 1.00 0.25 O ATOM 0 H SER A 61 8.943 -0.762 6.486 1.00 0.23 H new ATOM 0 HA SER A 61 9.891 0.972 8.678 1.00 0.29 H new ATOM 0 HB2 SER A 61 9.070 -1.967 8.538 1.00 0.22 H new ATOM 0 HB3 SER A 61 9.490 -1.127 10.018 1.00 0.22 H new ATOM 0 HG SER A 61 7.229 -0.797 8.339 1.00 0.25 H new ATOM 964 N HIS A 62 11.693 -1.507 7.443 1.00 0.43 N ATOM 965 CA HIS A 62 13.088 -2.027 7.402 1.00 0.55 C ATOM 966 C HIS A 62 13.880 -1.286 6.323 1.00 0.55 C ATOM 967 O HIS A 62 14.928 -0.728 6.581 1.00 0.98 O ATOM 968 CB HIS A 62 13.065 -3.524 7.081 1.00 0.62 C ATOM 969 CG HIS A 62 12.925 -4.308 8.357 1.00 0.82 C ATOM 970 ND1 HIS A 62 11.856 -5.160 8.587 1.00 0.44 N ATOM 971 CD2 HIS A 62 13.712 -4.382 9.479 1.00 1.91 C ATOM 972 CE1 HIS A 62 12.027 -5.704 9.806 1.00 0.50 C ATOM 973 NE2 HIS A 62 13.142 -5.264 10.393 1.00 1.61 N ATOM 0 H HIS A 62 11.032 -1.988 6.833 1.00 0.43 H new ATOM 0 HA HIS A 62 13.562 -1.870 8.371 1.00 0.55 H new ATOM 0 HB2 HIS A 62 12.237 -3.750 6.410 1.00 0.62 H new ATOM 0 HB3 HIS A 62 13.981 -3.810 6.564 1.00 0.62 H new ATOM 0 HD2 HIS A 62 14.633 -3.839 9.630 1.00 1.91 H new ATOM 0 HE1 HIS A 62 11.345 -6.411 10.255 1.00 0.50 H new ATOM 0 HE2 HIS A 62 13.500 -5.519 11.314 1.00 1.61 H new ATOM 981 N HIS A 63 13.389 -1.280 5.113 1.00 0.19 N ATOM 982 CA HIS A 63 14.115 -0.577 4.018 1.00 0.14 C ATOM 983 C HIS A 63 14.494 0.834 4.476 1.00 0.08 C ATOM 984 O HIS A 63 15.632 1.247 4.363 1.00 0.09 O ATOM 985 CB HIS A 63 13.213 -0.488 2.786 1.00 0.16 C ATOM 986 CG HIS A 63 12.894 -1.874 2.298 1.00 0.27 C ATOM 987 ND1 HIS A 63 13.875 -2.833 2.103 1.00 0.37 N ATOM 988 CD2 HIS A 63 11.708 -2.477 1.960 1.00 0.32 C ATOM 989 CE1 HIS A 63 13.268 -3.952 1.669 1.00 0.46 C ATOM 990 NE2 HIS A 63 11.946 -3.790 1.564 1.00 0.44 N ATOM 0 H HIS A 63 12.517 -1.731 4.836 1.00 0.19 H new ATOM 0 HA HIS A 63 15.020 -1.131 3.769 1.00 0.14 H new ATOM 0 HB2 HIS A 63 12.294 0.043 3.033 1.00 0.16 H new ATOM 0 HB3 HIS A 63 13.709 0.081 1.999 1.00 0.16 H new ATOM 0 HD2 HIS A 63 10.738 -2.004 1.996 1.00 0.32 H new ATOM 0 HE1 HIS A 63 13.786 -4.870 1.434 1.00 0.46 H new ATOM 0 HE2 HIS A 63 11.259 -4.480 1.259 1.00 0.44 H new ATOM 998 N GLU A 64 13.552 1.575 4.992 1.00 0.04 N ATOM 999 CA GLU A 64 13.861 2.958 5.456 1.00 0.08 C ATOM 1000 C GLU A 64 15.133 2.937 6.306 1.00 0.13 C ATOM 1001 O GLU A 64 15.919 3.864 6.287 1.00 0.16 O ATOM 1002 CB GLU A 64 12.696 3.486 6.295 1.00 0.10 C ATOM 1003 CG GLU A 64 13.078 4.835 6.908 1.00 0.17 C ATOM 1004 CD GLU A 64 11.816 5.552 7.392 1.00 1.20 C ATOM 1005 OE1 GLU A 64 10.845 4.872 7.678 1.00 1.96 O ATOM 1006 OE2 GLU A 64 11.844 6.769 7.468 1.00 1.58 O ATOM 0 H GLU A 64 12.582 1.283 5.112 1.00 0.04 H new ATOM 0 HA GLU A 64 14.011 3.607 4.593 1.00 0.08 H new ATOM 0 HB2 GLU A 64 11.807 3.596 5.674 1.00 0.10 H new ATOM 0 HB3 GLU A 64 12.449 2.774 7.082 1.00 0.10 H new ATOM 0 HG2 GLU A 64 13.766 4.686 7.740 1.00 0.17 H new ATOM 0 HG3 GLU A 64 13.597 5.448 6.171 1.00 0.17 H new ATOM 1013 N LYS A 65 15.343 1.886 7.050 1.00 0.25 N ATOM 1014 CA LYS A 65 16.565 1.807 7.899 1.00 0.32 C ATOM 1015 C LYS A 65 17.730 1.266 7.066 1.00 0.30 C ATOM 1016 O LYS A 65 18.884 1.466 7.391 1.00 0.32 O ATOM 1017 CB LYS A 65 16.306 0.870 9.080 1.00 0.42 C ATOM 1018 CG LYS A 65 15.142 1.409 9.915 1.00 0.62 C ATOM 1019 CD LYS A 65 14.940 0.521 11.145 1.00 0.62 C ATOM 1020 CE LYS A 65 13.980 1.207 12.118 1.00 0.86 C ATOM 1021 NZ LYS A 65 14.716 2.249 12.889 1.00 1.69 N ATOM 0 H LYS A 65 14.722 1.079 7.107 1.00 0.25 H new ATOM 0 HA LYS A 65 16.814 2.801 8.271 1.00 0.32 H new ATOM 0 HB2 LYS A 65 16.075 -0.132 8.719 1.00 0.42 H new ATOM 0 HB3 LYS A 65 17.202 0.788 9.696 1.00 0.42 H new ATOM 0 HG2 LYS A 65 15.346 2.434 10.223 1.00 0.62 H new ATOM 0 HG3 LYS A 65 14.231 1.432 9.316 1.00 0.62 H new ATOM 0 HD2 LYS A 65 14.540 -0.448 10.845 1.00 0.62 H new ATOM 0 HD3 LYS A 65 15.897 0.334 11.633 1.00 0.62 H new ATOM 0 HE2 LYS A 65 13.153 1.660 11.571 1.00 0.86 H new ATOM 0 HE3 LYS A 65 13.548 0.473 12.798 1.00 0.86 H new ATOM 0 HZ1 LYS A 65 14.121 2.585 13.673 1.00 1.69 H new ATOM 0 HZ2 LYS A 65 15.595 1.843 13.270 1.00 1.69 H new ATOM 0 HZ3 LYS A 65 14.946 3.047 12.262 1.00 1.69 H new ATOM 1035 N ASP A 66 17.437 0.583 5.993 1.00 0.30 N ATOM 1036 CA ASP A 66 18.527 0.032 5.140 1.00 0.29 C ATOM 1037 C ASP A 66 19.016 1.113 4.175 1.00 0.21 C ATOM 1038 O ASP A 66 18.266 1.978 3.767 1.00 0.21 O ATOM 1039 CB ASP A 66 17.997 -1.162 4.343 1.00 0.31 C ATOM 1040 CG ASP A 66 19.157 -2.088 3.976 1.00 0.30 C ATOM 1041 OD1 ASP A 66 19.921 -1.726 3.096 1.00 1.54 O ATOM 1042 OD2 ASP A 66 19.262 -3.143 4.580 1.00 0.78 O ATOM 0 H ASP A 66 16.490 0.383 5.671 1.00 0.30 H new ATOM 0 HA ASP A 66 19.354 -0.291 5.772 1.00 0.29 H new ATOM 0 HB2 ASP A 66 17.257 -1.705 4.931 1.00 0.31 H new ATOM 0 HB3 ASP A 66 17.495 -0.815 3.440 1.00 0.31 H new ATOM 1047 N THR A 67 20.267 1.071 3.807 1.00 0.16 N ATOM 1048 CA THR A 67 20.804 2.097 2.869 1.00 0.10 C ATOM 1049 C THR A 67 20.720 1.572 1.434 1.00 0.14 C ATOM 1050 O THR A 67 21.633 1.736 0.649 1.00 0.17 O ATOM 1051 CB THR A 67 22.265 2.392 3.218 1.00 0.13 C ATOM 1052 OG1 THR A 67 22.834 3.219 2.212 1.00 1.78 O ATOM 1053 CG2 THR A 67 23.047 1.080 3.304 1.00 1.75 C ATOM 0 H THR A 67 20.941 0.370 4.115 1.00 0.16 H new ATOM 0 HA THR A 67 20.217 3.011 2.956 1.00 0.10 H new ATOM 0 HB THR A 67 22.312 2.904 4.179 1.00 0.13 H new ATOM 0 HG1 THR A 67 22.930 2.706 1.382 1.00 1.78 H new ATOM 0 HG21 THR A 67 24.087 1.292 3.553 1.00 1.75 H new ATOM 0 HG22 THR A 67 22.611 0.447 4.077 1.00 1.75 H new ATOM 0 HG23 THR A 67 23.001 0.565 2.344 1.00 1.75 H new ATOM 1061 N ARG A 68 19.630 0.943 1.086 1.00 0.18 N ATOM 1062 CA ARG A 68 19.486 0.407 -0.297 1.00 0.28 C ATOM 1063 C ARG A 68 18.758 1.432 -1.170 1.00 0.33 C ATOM 1064 O ARG A 68 19.201 1.767 -2.252 1.00 0.49 O ATOM 1065 CB ARG A 68 18.680 -0.893 -0.259 1.00 0.33 C ATOM 1066 CG ARG A 68 19.561 -2.025 0.275 1.00 0.38 C ATOM 1067 CD ARG A 68 20.045 -2.890 -0.890 1.00 0.52 C ATOM 1068 NE ARG A 68 18.934 -3.770 -1.350 1.00 1.51 N ATOM 1069 CZ ARG A 68 19.014 -4.371 -2.506 1.00 1.89 C ATOM 1070 NH1 ARG A 68 20.067 -4.202 -3.258 1.00 1.29 N ATOM 1071 NH2 ARG A 68 18.041 -5.142 -2.909 1.00 3.38 N ATOM 0 H ARG A 68 18.833 0.777 1.700 1.00 0.18 H new ATOM 0 HA ARG A 68 20.474 0.211 -0.714 1.00 0.28 H new ATOM 0 HB2 ARG A 68 17.802 -0.771 0.376 1.00 0.33 H new ATOM 0 HB3 ARG A 68 18.319 -1.139 -1.258 1.00 0.33 H new ATOM 0 HG2 ARG A 68 20.414 -1.613 0.814 1.00 0.38 H new ATOM 0 HG3 ARG A 68 18.999 -2.633 0.984 1.00 0.38 H new ATOM 0 HD2 ARG A 68 20.385 -2.257 -1.710 1.00 0.52 H new ATOM 0 HD3 ARG A 68 20.897 -3.494 -0.579 1.00 0.52 H new ATOM 0 HE ARG A 68 18.111 -3.903 -0.762 1.00 1.51 H new ATOM 0 HH11 ARG A 68 20.828 -3.600 -2.943 1.00 1.29 H new ATOM 0 HH12 ARG A 68 20.129 -4.672 -4.161 1.00 1.29 H new ATOM 0 HH21 ARG A 68 17.218 -5.275 -2.321 1.00 3.38 H new ATOM 0 HH22 ARG A 68 18.103 -5.612 -3.812 1.00 3.38 H new ATOM 1085 N CYS A 69 17.644 1.930 -0.711 1.00 0.22 N ATOM 1086 CA CYS A 69 16.886 2.931 -1.514 1.00 0.27 C ATOM 1087 C CYS A 69 17.335 4.343 -1.127 1.00 0.27 C ATOM 1088 O CYS A 69 16.687 5.319 -1.446 1.00 0.28 O ATOM 1089 CB CYS A 69 15.390 2.773 -1.240 1.00 0.24 C ATOM 1090 SG CYS A 69 14.928 1.033 -1.430 1.00 0.25 S ATOM 0 H CYS A 69 17.225 1.687 0.187 1.00 0.22 H new ATOM 0 HA CYS A 69 17.079 2.770 -2.575 1.00 0.27 H new ATOM 0 HB2 CYS A 69 15.155 3.116 -0.232 1.00 0.24 H new ATOM 0 HB3 CYS A 69 14.815 3.391 -1.929 1.00 0.24 H new ATOM 1095 N LEU A 70 18.442 4.455 -0.444 1.00 0.31 N ATOM 1096 CA LEU A 70 18.938 5.802 -0.041 1.00 0.39 C ATOM 1097 C LEU A 70 19.935 6.308 -1.085 1.00 0.48 C ATOM 1098 O LEU A 70 19.857 7.432 -1.540 1.00 0.53 O ATOM 1099 CB LEU A 70 19.632 5.704 1.321 1.00 0.32 C ATOM 1100 CG LEU A 70 18.595 5.813 2.445 1.00 0.39 C ATOM 1101 CD1 LEU A 70 19.255 5.466 3.780 1.00 0.35 C ATOM 1102 CD2 LEU A 70 18.035 7.242 2.515 1.00 0.69 C ATOM 0 H LEU A 70 19.024 3.672 -0.148 1.00 0.31 H new ATOM 0 HA LEU A 70 18.099 6.494 0.028 1.00 0.39 H new ATOM 0 HB2 LEU A 70 20.167 4.758 1.399 1.00 0.32 H new ATOM 0 HB3 LEU A 70 20.372 6.498 1.419 1.00 0.32 H new ATOM 0 HG LEU A 70 17.779 5.119 2.241 1.00 0.39 H new ATOM 0 HD11 LEU A 70 18.519 5.543 4.581 1.00 0.35 H new ATOM 0 HD12 LEU A 70 19.643 4.448 3.740 1.00 0.35 H new ATOM 0 HD13 LEU A 70 20.074 6.159 3.972 1.00 0.35 H new ATOM 0 HD21 LEU A 70 17.300 7.306 3.317 1.00 0.69 H new ATOM 0 HD22 LEU A 70 18.847 7.942 2.711 1.00 0.69 H new ATOM 0 HD23 LEU A 70 17.560 7.494 1.567 1.00 0.69 H new ATOM 1114 N GLY A 71 20.871 5.484 -1.469 1.00 0.53 N ATOM 1115 CA GLY A 71 21.874 5.916 -2.485 1.00 0.65 C ATOM 1116 C GLY A 71 22.880 6.868 -1.838 1.00 0.61 C ATOM 1117 O GLY A 71 23.135 6.802 -0.651 1.00 0.46 O ATOM 0 H GLY A 71 20.985 4.531 -1.124 1.00 0.53 H new ATOM 0 HA2 GLY A 71 22.390 5.047 -2.893 1.00 0.65 H new ATOM 0 HA3 GLY A 71 21.374 6.410 -3.318 1.00 0.65 H new ATOM 1121 N ALA A 72 23.455 7.751 -2.612 1.00 0.77 N ATOM 1122 CA ALA A 72 24.450 8.713 -2.052 1.00 0.76 C ATOM 1123 C ALA A 72 24.211 10.101 -2.649 1.00 0.88 C ATOM 1124 O ALA A 72 24.906 11.048 -2.340 1.00 1.30 O ATOM 1125 CB ALA A 72 25.864 8.245 -2.404 1.00 0.74 C ATOM 0 H ALA A 72 23.278 7.848 -3.612 1.00 0.77 H new ATOM 0 HA ALA A 72 24.340 8.760 -0.969 1.00 0.76 H new ATOM 0 HB1 ALA A 72 26.592 8.946 -1.996 1.00 0.74 H new ATOM 0 HB2 ALA A 72 26.036 7.256 -1.980 1.00 0.74 H new ATOM 0 HB3 ALA A 72 25.973 8.199 -3.488 1.00 0.74 H new ATOM 1131 N THR A 73 23.231 10.233 -3.502 1.00 0.68 N ATOM 1132 CA THR A 73 22.950 11.561 -4.114 1.00 0.77 C ATOM 1133 C THR A 73 22.205 12.440 -3.107 1.00 0.63 C ATOM 1134 O THR A 73 21.669 11.960 -2.128 1.00 0.47 O ATOM 1135 CB THR A 73 22.086 11.374 -5.364 1.00 0.85 C ATOM 1136 OG1 THR A 73 21.975 9.988 -5.657 1.00 1.19 O ATOM 1137 CG2 THR A 73 22.733 12.097 -6.546 1.00 0.83 C ATOM 0 H THR A 73 22.614 9.478 -3.801 1.00 0.68 H new ATOM 0 HA THR A 73 23.890 12.040 -4.389 1.00 0.77 H new ATOM 0 HB THR A 73 21.094 11.789 -5.186 1.00 0.85 H new ATOM 0 HG1 THR A 73 21.234 9.603 -5.144 1.00 1.19 H new ATOM 0 HG21 THR A 73 22.117 11.963 -7.435 1.00 0.83 H new ATOM 0 HG22 THR A 73 22.818 13.160 -6.320 1.00 0.83 H new ATOM 0 HG23 THR A 73 23.725 11.684 -6.726 1.00 0.83 H new ATOM 1145 N ALA A 74 22.167 13.723 -3.339 1.00 0.71 N ATOM 1146 CA ALA A 74 21.457 14.631 -2.394 1.00 0.66 C ATOM 1147 C ALA A 74 19.995 14.772 -2.823 1.00 0.47 C ATOM 1148 O ALA A 74 19.123 15.020 -2.013 1.00 0.41 O ATOM 1149 CB ALA A 74 22.128 16.007 -2.408 1.00 0.86 C ATOM 0 H ALA A 74 22.597 14.182 -4.142 1.00 0.71 H new ATOM 0 HA ALA A 74 21.501 14.215 -1.388 1.00 0.66 H new ATOM 0 HB1 ALA A 74 21.609 16.672 -1.717 1.00 0.86 H new ATOM 0 HB2 ALA A 74 23.170 15.907 -2.102 1.00 0.86 H new ATOM 0 HB3 ALA A 74 22.083 16.423 -3.414 1.00 0.86 H new ATOM 1155 N GLN A 75 19.719 14.618 -4.089 1.00 0.46 N ATOM 1156 CA GLN A 75 18.313 14.746 -4.566 1.00 0.29 C ATOM 1157 C GLN A 75 17.541 13.468 -4.227 1.00 0.21 C ATOM 1158 O GLN A 75 16.352 13.497 -3.978 1.00 0.15 O ATOM 1159 CB GLN A 75 18.304 14.961 -6.080 1.00 0.33 C ATOM 1160 CG GLN A 75 19.322 14.026 -6.737 1.00 0.33 C ATOM 1161 CD GLN A 75 20.670 14.740 -6.852 1.00 1.10 C ATOM 1162 OE1 GLN A 75 21.464 14.427 -7.716 1.00 1.25 O ATOM 1163 NE2 GLN A 75 20.966 15.692 -6.009 1.00 2.54 N ATOM 0 H GLN A 75 20.406 14.409 -4.813 1.00 0.46 H new ATOM 0 HA GLN A 75 17.840 15.597 -4.076 1.00 0.29 H new ATOM 0 HB2 GLN A 75 17.308 14.769 -6.479 1.00 0.33 H new ATOM 0 HB3 GLN A 75 18.545 15.998 -6.312 1.00 0.33 H new ATOM 0 HG2 GLN A 75 19.430 13.116 -6.147 1.00 0.33 H new ATOM 0 HG3 GLN A 75 18.972 13.726 -7.725 1.00 0.33 H new ATOM 0 HE21 GLN A 75 20.300 15.956 -5.283 1.00 2.54 H new ATOM 0 HE22 GLN A 75 21.863 16.172 -6.076 1.00 2.54 H new ATOM 1172 N GLN A 76 18.208 12.346 -4.214 1.00 0.23 N ATOM 1173 CA GLN A 76 17.510 11.069 -3.892 1.00 0.20 C ATOM 1174 C GLN A 76 17.297 10.973 -2.379 1.00 0.09 C ATOM 1175 O GLN A 76 16.382 10.323 -1.912 1.00 0.06 O ATOM 1176 CB GLN A 76 18.363 9.889 -4.362 1.00 0.31 C ATOM 1177 CG GLN A 76 17.742 8.581 -3.867 1.00 0.80 C ATOM 1178 CD GLN A 76 18.056 7.459 -4.859 1.00 0.79 C ATOM 1179 OE1 GLN A 76 17.241 7.128 -5.697 1.00 1.29 O ATOM 1180 NE2 GLN A 76 19.212 6.856 -4.799 1.00 1.84 N ATOM 0 H GLN A 76 19.205 12.259 -4.412 1.00 0.23 H new ATOM 0 HA GLN A 76 16.545 11.044 -4.398 1.00 0.20 H new ATOM 0 HB2 GLN A 76 18.428 9.884 -5.450 1.00 0.31 H new ATOM 0 HB3 GLN A 76 19.380 9.988 -3.982 1.00 0.31 H new ATOM 0 HG2 GLN A 76 18.134 8.330 -2.882 1.00 0.80 H new ATOM 0 HG3 GLN A 76 16.663 8.696 -3.761 1.00 0.80 H new ATOM 0 HE21 GLN A 76 19.896 7.134 -4.095 1.00 1.84 H new ATOM 0 HE22 GLN A 76 19.431 6.107 -5.456 1.00 1.84 H new ATOM 1189 N PHE A 77 18.133 11.615 -1.610 1.00 0.12 N ATOM 1190 CA PHE A 77 17.977 11.560 -0.130 1.00 0.13 C ATOM 1191 C PHE A 77 16.619 12.145 0.263 1.00 0.12 C ATOM 1192 O PHE A 77 15.860 11.541 0.994 1.00 0.14 O ATOM 1193 CB PHE A 77 19.094 12.373 0.529 1.00 0.23 C ATOM 1194 CG PHE A 77 18.804 12.522 2.004 1.00 0.36 C ATOM 1195 CD1 PHE A 77 18.972 11.431 2.864 1.00 0.39 C ATOM 1196 CD2 PHE A 77 18.368 13.752 2.511 1.00 0.67 C ATOM 1197 CE1 PHE A 77 18.703 11.569 4.231 1.00 0.64 C ATOM 1198 CE2 PHE A 77 18.100 13.891 3.878 1.00 0.86 C ATOM 1199 CZ PHE A 77 18.267 12.799 4.738 1.00 0.82 C ATOM 0 H PHE A 77 18.917 12.175 -1.943 1.00 0.12 H new ATOM 0 HA PHE A 77 18.035 10.524 0.204 1.00 0.13 H new ATOM 0 HB2 PHE A 77 20.054 11.877 0.384 1.00 0.23 H new ATOM 0 HB3 PHE A 77 19.169 13.355 0.061 1.00 0.23 H new ATOM 0 HD1 PHE A 77 19.309 10.482 2.473 1.00 0.39 H new ATOM 0 HD2 PHE A 77 18.238 14.594 1.847 1.00 0.67 H new ATOM 0 HE1 PHE A 77 18.832 10.727 4.894 1.00 0.64 H new ATOM 0 HE2 PHE A 77 17.765 14.840 4.269 1.00 0.86 H new ATOM 0 HZ PHE A 77 18.059 12.905 5.793 1.00 0.82 H new ATOM 1209 N HIS A 78 16.307 13.318 -0.216 1.00 0.11 N ATOM 1210 CA HIS A 78 14.999 13.941 0.131 1.00 0.13 C ATOM 1211 C HIS A 78 13.873 13.207 -0.598 1.00 0.12 C ATOM 1212 O HIS A 78 12.945 12.714 0.010 1.00 0.18 O ATOM 1213 CB HIS A 78 15.007 15.412 -0.293 1.00 0.13 C ATOM 1214 CG HIS A 78 13.714 16.060 0.121 1.00 0.18 C ATOM 1215 ND1 HIS A 78 13.369 17.341 -0.280 1.00 0.61 N ATOM 1216 CD2 HIS A 78 12.673 15.617 0.898 1.00 0.11 C ATOM 1217 CE1 HIS A 78 12.165 17.622 0.253 1.00 0.74 C ATOM 1218 NE2 HIS A 78 11.696 16.605 0.980 1.00 0.42 N ATOM 0 H HIS A 78 16.902 13.872 -0.833 1.00 0.11 H new ATOM 0 HA HIS A 78 14.839 13.873 1.207 1.00 0.13 H new ATOM 0 HB2 HIS A 78 15.849 15.929 0.167 1.00 0.13 H new ATOM 0 HB3 HIS A 78 15.136 15.490 -1.373 1.00 0.13 H new ATOM 0 HD2 HIS A 78 12.620 14.649 1.374 1.00 0.11 H new ATOM 0 HE1 HIS A 78 11.642 18.556 0.110 1.00 0.74 H new ATOM 0 HE2 HIS A 78 10.812 16.561 1.487 1.00 0.42 H new ATOM 1226 N ARG A 79 13.947 13.129 -1.899 1.00 0.17 N ATOM 1227 CA ARG A 79 12.879 12.426 -2.665 1.00 0.21 C ATOM 1228 C ARG A 79 12.598 11.068 -2.019 1.00 0.17 C ATOM 1229 O ARG A 79 11.552 10.481 -2.217 1.00 0.10 O ATOM 1230 CB ARG A 79 13.339 12.219 -4.109 1.00 0.28 C ATOM 1231 CG ARG A 79 12.144 12.363 -5.052 1.00 0.39 C ATOM 1232 CD ARG A 79 12.497 11.780 -6.420 1.00 0.41 C ATOM 1233 NE ARG A 79 11.630 12.396 -7.463 1.00 1.19 N ATOM 1234 CZ ARG A 79 11.943 12.279 -8.724 1.00 1.23 C ATOM 1235 NH1 ARG A 79 13.015 11.621 -9.073 1.00 0.66 N ATOM 1236 NH2 ARG A 79 11.183 12.819 -9.638 1.00 1.97 N ATOM 0 H ARG A 79 14.700 13.521 -2.464 1.00 0.17 H new ATOM 0 HA ARG A 79 11.970 13.027 -2.656 1.00 0.21 H new ATOM 0 HB2 ARG A 79 14.107 12.948 -4.365 1.00 0.28 H new ATOM 0 HB3 ARG A 79 13.787 11.232 -4.221 1.00 0.28 H new ATOM 0 HG2 ARG A 79 11.277 11.847 -4.638 1.00 0.39 H new ATOM 0 HG3 ARG A 79 11.872 13.414 -5.153 1.00 0.39 H new ATOM 0 HD2 ARG A 79 13.546 11.968 -6.647 1.00 0.41 H new ATOM 0 HD3 ARG A 79 12.361 10.698 -6.412 1.00 0.41 H new ATOM 0 HE ARG A 79 10.792 12.909 -7.191 1.00 1.19 H new ATOM 0 HH11 ARG A 79 13.609 11.198 -8.360 1.00 0.66 H new ATOM 0 HH12 ARG A 79 13.259 11.530 -10.059 1.00 0.66 H new ATOM 0 HH21 ARG A 79 10.345 13.332 -9.366 1.00 1.97 H new ATOM 0 HH22 ARG A 79 11.428 12.728 -10.624 1.00 1.97 H new ATOM 1250 N HIS A 80 13.522 10.562 -1.248 1.00 0.22 N ATOM 1251 CA HIS A 80 13.303 9.242 -0.591 1.00 0.19 C ATOM 1252 C HIS A 80 12.461 9.433 0.670 1.00 0.17 C ATOM 1253 O HIS A 80 11.431 8.812 0.840 1.00 0.16 O ATOM 1254 CB HIS A 80 14.654 8.630 -0.214 1.00 0.20 C ATOM 1255 CG HIS A 80 14.435 7.474 0.722 1.00 0.20 C ATOM 1256 ND1 HIS A 80 14.227 6.182 0.265 1.00 0.23 N ATOM 1257 CD2 HIS A 80 14.387 7.398 2.092 1.00 0.23 C ATOM 1258 CE1 HIS A 80 14.065 5.391 1.342 1.00 0.24 C ATOM 1259 NE2 HIS A 80 14.153 6.083 2.481 1.00 0.22 N ATOM 0 H HIS A 80 14.418 11.005 -1.045 1.00 0.22 H new ATOM 0 HA HIS A 80 12.781 8.576 -1.279 1.00 0.19 H new ATOM 0 HB2 HIS A 80 15.176 8.293 -1.110 1.00 0.20 H new ATOM 0 HB3 HIS A 80 15.286 9.381 0.260 1.00 0.20 H new ATOM 0 HD2 HIS A 80 14.512 8.233 2.766 1.00 0.23 H new ATOM 0 HE1 HIS A 80 13.886 4.327 1.291 1.00 0.24 H new ATOM 0 HE2 HIS A 80 14.067 5.724 3.432 1.00 0.22 H new ATOM 1267 N LYS A 81 12.890 10.288 1.558 1.00 0.17 N ATOM 1268 CA LYS A 81 12.112 10.516 2.809 1.00 0.18 C ATOM 1269 C LYS A 81 10.640 10.738 2.458 1.00 0.20 C ATOM 1270 O LYS A 81 9.754 10.186 3.079 1.00 0.23 O ATOM 1271 CB LYS A 81 12.656 11.751 3.530 1.00 0.19 C ATOM 1272 CG LYS A 81 14.064 11.458 4.051 1.00 0.16 C ATOM 1273 CD LYS A 81 14.521 12.602 4.959 1.00 1.15 C ATOM 1274 CE LYS A 81 14.621 12.102 6.401 1.00 0.94 C ATOM 1275 NZ LYS A 81 13.363 11.390 6.769 1.00 1.50 N ATOM 0 H LYS A 81 13.745 10.838 1.472 1.00 0.17 H new ATOM 0 HA LYS A 81 12.204 9.646 3.459 1.00 0.18 H new ATOM 0 HB2 LYS A 81 12.678 12.602 2.850 1.00 0.19 H new ATOM 0 HB3 LYS A 81 11.999 12.021 4.357 1.00 0.19 H new ATOM 0 HG2 LYS A 81 14.071 10.517 4.602 1.00 0.16 H new ATOM 0 HG3 LYS A 81 14.756 11.344 3.216 1.00 0.16 H new ATOM 0 HD2 LYS A 81 15.488 12.980 4.626 1.00 1.15 H new ATOM 0 HD3 LYS A 81 13.816 13.432 4.899 1.00 1.15 H new ATOM 0 HE2 LYS A 81 15.475 11.432 6.507 1.00 0.94 H new ATOM 0 HE3 LYS A 81 14.788 12.940 7.077 1.00 0.94 H new ATOM 0 HZ1 LYS A 81 13.269 11.364 7.804 1.00 1.50 H new ATOM 0 HZ2 LYS A 81 12.548 11.891 6.360 1.00 1.50 H new ATOM 0 HZ3 LYS A 81 13.393 10.418 6.400 1.00 1.50 H new ATOM 1289 N GLN A 82 10.372 11.540 1.465 1.00 0.19 N ATOM 1290 CA GLN A 82 8.958 11.796 1.075 1.00 0.22 C ATOM 1291 C GLN A 82 8.265 10.465 0.774 1.00 0.20 C ATOM 1292 O GLN A 82 7.204 10.176 1.290 1.00 0.37 O ATOM 1293 CB GLN A 82 8.924 12.680 -0.173 1.00 0.24 C ATOM 1294 CG GLN A 82 8.284 14.027 0.172 1.00 0.95 C ATOM 1295 CD GLN A 82 8.342 14.948 -1.048 1.00 0.76 C ATOM 1296 OE1 GLN A 82 9.250 14.855 -1.851 1.00 1.46 O ATOM 1297 NE2 GLN A 82 7.406 15.840 -1.223 1.00 0.98 N ATOM 0 H GLN A 82 11.072 12.029 0.907 1.00 0.19 H new ATOM 0 HA GLN A 82 8.442 12.301 1.892 1.00 0.22 H new ATOM 0 HB2 GLN A 82 9.935 12.832 -0.551 1.00 0.24 H new ATOM 0 HB3 GLN A 82 8.358 12.189 -0.964 1.00 0.24 H new ATOM 0 HG2 GLN A 82 7.249 13.881 0.482 1.00 0.95 H new ATOM 0 HG3 GLN A 82 8.806 14.485 1.012 1.00 0.95 H new ATOM 0 HE21 GLN A 82 6.644 15.918 -0.550 1.00 0.98 H new ATOM 0 HE22 GLN A 82 7.436 16.459 -2.033 1.00 0.98 H new ATOM 1306 N LEU A 83 8.857 9.652 -0.056 1.00 0.06 N ATOM 1307 CA LEU A 83 8.234 8.340 -0.389 1.00 0.04 C ATOM 1308 C LEU A 83 7.811 7.640 0.905 1.00 0.03 C ATOM 1309 O LEU A 83 6.657 7.317 1.099 1.00 0.06 O ATOM 1310 CB LEU A 83 9.249 7.470 -1.135 1.00 0.09 C ATOM 1311 CG LEU A 83 8.513 6.452 -2.010 1.00 0.11 C ATOM 1312 CD1 LEU A 83 9.532 5.602 -2.770 1.00 0.16 C ATOM 1313 CD2 LEU A 83 7.652 5.545 -1.128 1.00 0.11 C ATOM 0 H LEU A 83 9.746 9.840 -0.519 1.00 0.06 H new ATOM 0 HA LEU A 83 7.360 8.498 -1.021 1.00 0.04 H new ATOM 0 HB2 LEU A 83 9.894 8.095 -1.752 1.00 0.09 H new ATOM 0 HB3 LEU A 83 9.893 6.954 -0.423 1.00 0.09 H new ATOM 0 HG LEU A 83 7.876 6.979 -2.720 1.00 0.11 H new ATOM 0 HD11 LEU A 83 9.008 4.877 -3.393 1.00 0.16 H new ATOM 0 HD12 LEU A 83 10.145 6.246 -3.400 1.00 0.16 H new ATOM 0 HD13 LEU A 83 10.170 5.076 -2.059 1.00 0.16 H new ATOM 0 HD21 LEU A 83 7.129 4.821 -1.752 1.00 0.11 H new ATOM 0 HD22 LEU A 83 8.289 5.018 -0.417 1.00 0.11 H new ATOM 0 HD23 LEU A 83 6.925 6.149 -0.586 1.00 0.11 H new ATOM 1325 N ILE A 84 8.740 7.404 1.791 1.00 0.03 N ATOM 1326 CA ILE A 84 8.393 6.725 3.072 1.00 0.06 C ATOM 1327 C ILE A 84 7.148 7.378 3.677 1.00 0.11 C ATOM 1328 O ILE A 84 6.308 6.718 4.255 1.00 0.15 O ATOM 1329 CB ILE A 84 9.562 6.857 4.052 1.00 0.02 C ATOM 1330 CG1 ILE A 84 10.875 6.531 3.333 1.00 0.08 C ATOM 1331 CG2 ILE A 84 9.367 5.888 5.219 1.00 0.04 C ATOM 1332 CD1 ILE A 84 10.732 5.214 2.566 1.00 0.12 C ATOM 0 H ILE A 84 9.724 7.652 1.683 1.00 0.03 H new ATOM 0 HA ILE A 84 8.194 5.671 2.880 1.00 0.06 H new ATOM 0 HB ILE A 84 9.599 7.878 4.431 1.00 0.02 H new ATOM 0 HG12 ILE A 84 11.134 7.337 2.646 1.00 0.08 H new ATOM 0 HG13 ILE A 84 11.687 6.455 4.056 1.00 0.08 H new ATOM 0 HG21 ILE A 84 10.200 5.984 5.915 1.00 0.04 H new ATOM 0 HG22 ILE A 84 8.435 6.122 5.734 1.00 0.04 H new ATOM 0 HG23 ILE A 84 9.326 4.867 4.841 1.00 0.04 H new ATOM 0 HD11 ILE A 84 11.668 4.986 2.056 1.00 0.12 H new ATOM 0 HD12 ILE A 84 10.494 4.411 3.263 1.00 0.12 H new ATOM 0 HD13 ILE A 84 9.932 5.306 1.831 1.00 0.12 H new ATOM 1344 N ARG A 85 7.022 8.671 3.551 1.00 0.17 N ATOM 1345 CA ARG A 85 5.830 9.363 4.120 1.00 0.24 C ATOM 1346 C ARG A 85 4.567 8.879 3.403 1.00 0.27 C ATOM 1347 O ARG A 85 3.554 8.618 4.020 1.00 0.30 O ATOM 1348 CB ARG A 85 5.977 10.873 3.930 1.00 0.25 C ATOM 1349 CG ARG A 85 4.989 11.601 4.843 1.00 1.26 C ATOM 1350 CD ARG A 85 5.659 11.909 6.182 1.00 1.26 C ATOM 1351 NE ARG A 85 6.415 13.188 6.078 1.00 0.16 N ATOM 1352 CZ ARG A 85 6.815 13.800 7.159 1.00 0.53 C ATOM 1353 NH1 ARG A 85 6.553 13.290 8.332 1.00 2.01 N ATOM 1354 NH2 ARG A 85 7.477 14.921 7.068 1.00 0.95 N ATOM 0 H ARG A 85 7.692 9.278 3.079 1.00 0.17 H new ATOM 0 HA ARG A 85 5.753 9.137 5.183 1.00 0.24 H new ATOM 0 HB2 ARG A 85 6.997 11.182 4.160 1.00 0.25 H new ATOM 0 HB3 ARG A 85 5.791 11.139 2.889 1.00 0.25 H new ATOM 0 HG2 ARG A 85 4.655 12.525 4.371 1.00 1.26 H new ATOM 0 HG3 ARG A 85 4.103 10.986 5.001 1.00 1.26 H new ATOM 0 HD2 ARG A 85 4.908 11.982 6.968 1.00 1.26 H new ATOM 0 HD3 ARG A 85 6.333 11.098 6.459 1.00 1.26 H new ATOM 0 HE ARG A 85 6.620 13.586 5.161 1.00 0.16 H new ATOM 0 HH11 ARG A 85 6.036 12.414 8.403 1.00 2.01 H new ATOM 0 HH12 ARG A 85 6.865 13.768 9.177 1.00 2.01 H new ATOM 0 HH21 ARG A 85 7.682 15.319 6.152 1.00 0.95 H new ATOM 0 HH22 ARG A 85 7.789 15.399 7.913 1.00 0.95 H new ATOM 1368 N PHE A 86 4.619 8.761 2.105 1.00 0.27 N ATOM 1369 CA PHE A 86 3.419 8.296 1.352 1.00 0.33 C ATOM 1370 C PHE A 86 2.975 6.932 1.885 1.00 0.30 C ATOM 1371 O PHE A 86 1.833 6.740 2.250 1.00 0.28 O ATOM 1372 CB PHE A 86 3.765 8.175 -0.134 1.00 0.37 C ATOM 1373 CG PHE A 86 3.613 9.523 -0.799 1.00 0.44 C ATOM 1374 CD1 PHE A 86 2.371 9.915 -1.310 1.00 0.63 C ATOM 1375 CD2 PHE A 86 4.716 10.380 -0.903 1.00 0.42 C ATOM 1376 CE1 PHE A 86 2.230 11.165 -1.926 1.00 0.73 C ATOM 1377 CE2 PHE A 86 4.575 11.630 -1.519 1.00 0.52 C ATOM 1378 CZ PHE A 86 3.332 12.022 -2.030 1.00 0.64 C ATOM 0 H PHE A 86 5.439 8.966 1.534 1.00 0.27 H new ATOM 0 HA PHE A 86 2.610 9.015 1.480 1.00 0.33 H new ATOM 0 HB2 PHE A 86 4.786 7.813 -0.252 1.00 0.37 H new ATOM 0 HB3 PHE A 86 3.111 7.446 -0.612 1.00 0.37 H new ATOM 0 HD1 PHE A 86 1.521 9.254 -1.229 1.00 0.63 H new ATOM 0 HD2 PHE A 86 5.675 10.077 -0.508 1.00 0.42 H new ATOM 0 HE1 PHE A 86 1.271 11.468 -2.321 1.00 0.73 H new ATOM 0 HE2 PHE A 86 5.425 12.291 -1.600 1.00 0.52 H new ATOM 0 HZ PHE A 86 3.223 12.986 -2.505 1.00 0.64 H new ATOM 1388 N LEU A 87 3.869 5.983 1.932 1.00 0.30 N ATOM 1389 CA LEU A 87 3.496 4.633 2.441 1.00 0.28 C ATOM 1390 C LEU A 87 3.055 4.740 3.902 1.00 0.24 C ATOM 1391 O LEU A 87 1.976 4.317 4.266 1.00 0.17 O ATOM 1392 CB LEU A 87 4.704 3.698 2.340 1.00 0.33 C ATOM 1393 CG LEU A 87 5.264 3.738 0.918 1.00 0.20 C ATOM 1394 CD1 LEU A 87 6.471 2.805 0.816 1.00 0.22 C ATOM 1395 CD2 LEU A 87 4.185 3.284 -0.068 1.00 0.49 C ATOM 0 H LEU A 87 4.841 6.084 1.640 1.00 0.30 H new ATOM 0 HA LEU A 87 2.676 4.234 1.843 1.00 0.28 H new ATOM 0 HB2 LEU A 87 5.471 4.000 3.053 1.00 0.33 H new ATOM 0 HB3 LEU A 87 4.412 2.680 2.598 1.00 0.33 H new ATOM 0 HG LEU A 87 5.572 4.756 0.679 1.00 0.20 H new ATOM 0 HD11 LEU A 87 6.869 2.835 -0.198 1.00 0.22 H new ATOM 0 HD12 LEU A 87 7.240 3.128 1.517 1.00 0.22 H new ATOM 0 HD13 LEU A 87 6.165 1.787 1.056 1.00 0.22 H new ATOM 0 HD21 LEU A 87 4.584 3.312 -1.082 1.00 0.49 H new ATOM 0 HD22 LEU A 87 3.877 2.266 0.173 1.00 0.49 H new ATOM 0 HD23 LEU A 87 3.325 3.950 0.002 1.00 0.49 H new ATOM 1407 N LYS A 88 3.879 5.302 4.742 1.00 0.34 N ATOM 1408 CA LYS A 88 3.506 5.433 6.178 1.00 0.33 C ATOM 1409 C LYS A 88 2.145 6.125 6.291 1.00 0.29 C ATOM 1410 O LYS A 88 1.499 6.080 7.319 1.00 0.25 O ATOM 1411 CB LYS A 88 4.563 6.266 6.907 1.00 0.39 C ATOM 1412 CG LYS A 88 4.689 5.781 8.353 1.00 0.77 C ATOM 1413 CD LYS A 88 5.231 6.915 9.225 1.00 1.08 C ATOM 1414 CE LYS A 88 6.077 6.328 10.356 1.00 1.11 C ATOM 1415 NZ LYS A 88 6.145 7.302 11.483 1.00 2.17 N ATOM 0 H LYS A 88 4.795 5.676 4.496 1.00 0.34 H new ATOM 0 HA LYS A 88 3.449 4.443 6.629 1.00 0.33 H new ATOM 0 HB2 LYS A 88 5.523 6.180 6.399 1.00 0.39 H new ATOM 0 HB3 LYS A 88 4.286 7.320 6.889 1.00 0.39 H new ATOM 0 HG2 LYS A 88 3.718 5.455 8.724 1.00 0.77 H new ATOM 0 HG3 LYS A 88 5.355 4.920 8.402 1.00 0.77 H new ATOM 0 HD2 LYS A 88 5.832 7.596 8.623 1.00 1.08 H new ATOM 0 HD3 LYS A 88 4.407 7.497 9.637 1.00 1.08 H new ATOM 0 HE2 LYS A 88 5.643 5.389 10.699 1.00 1.11 H new ATOM 0 HE3 LYS A 88 7.080 6.103 9.995 1.00 1.11 H new ATOM 0 HZ1 LYS A 88 6.720 6.903 12.252 1.00 2.17 H new ATOM 0 HZ2 LYS A 88 6.577 8.188 11.151 1.00 2.17 H new ATOM 0 HZ3 LYS A 88 5.185 7.495 11.833 1.00 2.17 H new ATOM 1429 N ARG A 89 1.705 6.765 5.242 1.00 0.31 N ATOM 1430 CA ARG A 89 0.387 7.458 5.292 1.00 0.27 C ATOM 1431 C ARG A 89 -0.727 6.466 4.950 1.00 0.22 C ATOM 1432 O ARG A 89 -1.471 6.034 5.808 1.00 0.23 O ATOM 1433 CB ARG A 89 0.375 8.606 4.281 1.00 0.29 C ATOM 1434 CG ARG A 89 -0.825 9.516 4.554 1.00 0.21 C ATOM 1435 CD ARG A 89 -1.368 10.056 3.231 1.00 1.18 C ATOM 1436 NE ARG A 89 -2.250 11.226 3.496 1.00 1.46 N ATOM 1437 CZ ARG A 89 -2.587 12.026 2.520 1.00 2.32 C ATOM 1438 NH1 ARG A 89 -2.149 11.799 1.311 1.00 2.89 N ATOM 1439 NH2 ARG A 89 -3.359 13.052 2.753 1.00 2.80 N ATOM 0 H ARG A 89 2.201 6.838 4.354 1.00 0.31 H new ATOM 0 HA ARG A 89 0.224 7.854 6.294 1.00 0.27 H new ATOM 0 HB2 ARG A 89 1.301 9.177 4.352 1.00 0.29 H new ATOM 0 HB3 ARG A 89 0.321 8.211 3.267 1.00 0.29 H new ATOM 0 HG2 ARG A 89 -1.603 8.962 5.079 1.00 0.21 H new ATOM 0 HG3 ARG A 89 -0.529 10.341 5.202 1.00 0.21 H new ATOM 0 HD2 ARG A 89 -0.544 10.348 2.580 1.00 1.18 H new ATOM 0 HD3 ARG A 89 -1.925 9.278 2.710 1.00 1.18 H new ATOM 0 HE ARG A 89 -2.591 11.403 4.441 1.00 1.46 H new ATOM 0 HH11 ARG A 89 -1.544 10.998 1.130 1.00 2.89 H new ATOM 0 HH12 ARG A 89 -2.411 12.423 0.548 1.00 2.89 H new ATOM 0 HH21 ARG A 89 -3.700 13.230 3.698 1.00 2.80 H new ATOM 0 HH22 ARG A 89 -3.622 13.676 1.990 1.00 2.80 H new ATOM 1453 N LEU A 90 -0.846 6.101 3.703 1.00 0.19 N ATOM 1454 CA LEU A 90 -1.912 5.137 3.309 1.00 0.16 C ATOM 1455 C LEU A 90 -1.804 3.876 4.170 1.00 0.16 C ATOM 1456 O LEU A 90 -2.792 3.242 4.485 1.00 0.24 O ATOM 1457 CB LEU A 90 -1.747 4.764 1.834 1.00 0.21 C ATOM 1458 CG LEU A 90 -0.368 4.139 1.616 1.00 0.25 C ATOM 1459 CD1 LEU A 90 -0.514 2.625 1.452 1.00 0.28 C ATOM 1460 CD2 LEU A 90 0.263 4.727 0.352 1.00 0.27 C ATOM 0 H LEU A 90 -0.252 6.428 2.941 1.00 0.19 H new ATOM 0 HA LEU A 90 -2.889 5.597 3.459 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -2.527 4.063 1.536 1.00 0.21 H new ATOM 0 HB3 LEU A 90 -1.859 5.650 1.209 1.00 0.21 H new ATOM 0 HG LEU A 90 0.267 4.353 2.475 1.00 0.25 H new ATOM 0 HD11 LEU A 90 0.469 2.179 1.297 1.00 0.28 H new ATOM 0 HD12 LEU A 90 -0.966 2.204 2.350 1.00 0.28 H new ATOM 0 HD13 LEU A 90 -1.149 2.412 0.592 1.00 0.28 H new ATOM 0 HD21 LEU A 90 1.246 4.283 0.195 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -0.373 4.512 -0.506 1.00 0.27 H new ATOM 0 HD23 LEU A 90 0.367 5.806 0.465 1.00 0.27 H new ATOM 1472 N ASP A 91 -0.612 3.508 4.553 1.00 0.30 N ATOM 1473 CA ASP A 91 -0.444 2.288 5.392 1.00 0.30 C ATOM 1474 C ASP A 91 -1.371 2.375 6.606 1.00 0.24 C ATOM 1475 O ASP A 91 -1.910 1.384 7.058 1.00 0.22 O ATOM 1476 CB ASP A 91 1.008 2.191 5.864 1.00 0.39 C ATOM 1477 CG ASP A 91 1.141 1.053 6.878 1.00 0.49 C ATOM 1478 OD1 ASP A 91 1.390 -0.064 6.455 1.00 1.56 O ATOM 1479 OD2 ASP A 91 0.990 1.317 8.059 1.00 0.55 O ATOM 0 H ASP A 91 0.252 3.999 4.322 1.00 0.30 H new ATOM 0 HA ASP A 91 -0.695 1.404 4.805 1.00 0.30 H new ATOM 0 HB2 ASP A 91 1.667 2.013 5.014 1.00 0.39 H new ATOM 0 HB3 ASP A 91 1.318 3.133 6.316 1.00 0.39 H new ATOM 1484 N ARG A 92 -1.560 3.551 7.138 1.00 0.24 N ATOM 1485 CA ARG A 92 -2.452 3.699 8.321 1.00 0.22 C ATOM 1486 C ARG A 92 -3.901 3.840 7.852 1.00 0.17 C ATOM 1487 O ARG A 92 -4.825 3.423 8.523 1.00 0.16 O ATOM 1488 CB ARG A 92 -2.048 4.946 9.113 1.00 0.29 C ATOM 1489 CG ARG A 92 -0.751 4.668 9.875 1.00 0.31 C ATOM 1490 CD ARG A 92 -1.074 4.342 11.334 1.00 0.35 C ATOM 1491 NE ARG A 92 0.141 3.799 12.003 1.00 1.25 N ATOM 1492 CZ ARG A 92 0.194 3.731 13.305 1.00 1.37 C ATOM 1493 NH1 ARG A 92 -0.818 4.139 14.021 1.00 1.13 N ATOM 1494 NH2 ARG A 92 1.258 3.255 13.890 1.00 2.33 N ATOM 0 H ARG A 92 -1.135 4.416 6.804 1.00 0.24 H new ATOM 0 HA ARG A 92 -2.360 2.819 8.958 1.00 0.22 H new ATOM 0 HB2 ARG A 92 -1.912 5.791 8.438 1.00 0.29 H new ATOM 0 HB3 ARG A 92 -2.840 5.220 9.810 1.00 0.29 H new ATOM 0 HG2 ARG A 92 -0.218 3.836 9.415 1.00 0.31 H new ATOM 0 HG3 ARG A 92 -0.093 5.536 9.823 1.00 0.31 H new ATOM 0 HD2 ARG A 92 -1.417 5.239 11.851 1.00 0.35 H new ATOM 0 HD3 ARG A 92 -1.885 3.616 11.384 1.00 0.35 H new ATOM 0 HE ARG A 92 0.932 3.480 11.443 1.00 1.25 H new ATOM 0 HH11 ARG A 92 -1.650 4.511 13.563 1.00 1.13 H new ATOM 0 HH12 ARG A 92 -0.777 4.086 15.039 1.00 1.13 H new ATOM 0 HH21 ARG A 92 2.048 2.936 13.330 1.00 2.33 H new ATOM 0 HH22 ARG A 92 1.300 3.202 14.908 1.00 2.33 H new ATOM 1508 N ASN A 93 -4.108 4.425 6.705 1.00 0.17 N ATOM 1509 CA ASN A 93 -5.497 4.592 6.193 1.00 0.13 C ATOM 1510 C ASN A 93 -6.152 3.217 6.040 1.00 0.14 C ATOM 1511 O ASN A 93 -7.226 2.970 6.552 1.00 0.23 O ATOM 1512 CB ASN A 93 -5.461 5.294 4.834 1.00 0.14 C ATOM 1513 CG ASN A 93 -4.740 6.636 4.971 1.00 0.16 C ATOM 1514 OD1 ASN A 93 -4.578 7.354 4.004 1.00 0.90 O ATOM 1515 ND2 ASN A 93 -4.297 7.008 6.141 1.00 1.00 N ATOM 0 H ASN A 93 -3.375 4.795 6.100 1.00 0.17 H new ATOM 0 HA ASN A 93 -6.073 5.194 6.896 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -4.950 4.668 4.103 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -6.475 5.450 4.467 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.815 7.901 6.243 1.00 1.00 H new ATOM 0 HD22 ASN A 93 -4.433 6.406 6.953 1.00 1.00 H new ATOM 1522 N LEU A 94 -5.513 2.321 5.339 1.00 0.12 N ATOM 1523 CA LEU A 94 -6.100 0.964 5.154 1.00 0.16 C ATOM 1524 C LEU A 94 -6.360 0.330 6.522 1.00 0.13 C ATOM 1525 O LEU A 94 -7.490 0.184 6.944 1.00 0.29 O ATOM 1526 CB LEU A 94 -5.123 0.089 4.365 1.00 0.22 C ATOM 1527 CG LEU A 94 -4.704 0.816 3.086 1.00 0.16 C ATOM 1528 CD1 LEU A 94 -3.737 -0.064 2.291 1.00 0.40 C ATOM 1529 CD2 LEU A 94 -5.942 1.108 2.236 1.00 0.32 C ATOM 0 H LEU A 94 -4.611 2.470 4.887 1.00 0.12 H new ATOM 0 HA LEU A 94 -7.039 1.046 4.607 1.00 0.16 H new ATOM 0 HB2 LEU A 94 -4.246 -0.134 4.973 1.00 0.22 H new ATOM 0 HB3 LEU A 94 -5.590 -0.864 4.118 1.00 0.22 H new ATOM 0 HG LEU A 94 -4.212 1.753 3.347 1.00 0.16 H new ATOM 0 HD11 LEU A 94 -3.439 0.454 1.380 1.00 0.40 H new ATOM 0 HD12 LEU A 94 -2.854 -0.273 2.895 1.00 0.40 H new ATOM 0 HD13 LEU A 94 -4.228 -1.002 2.031 1.00 0.40 H new ATOM 0 HD21 LEU A 94 -5.644 1.626 1.325 1.00 0.32 H new ATOM 0 HD22 LEU A 94 -6.434 0.171 1.976 1.00 0.32 H new ATOM 0 HD23 LEU A 94 -6.631 1.735 2.801 1.00 0.32 H new ATOM 1541 N TRP A 95 -5.324 -0.047 7.219 1.00 0.26 N ATOM 1542 CA TRP A 95 -5.514 -0.671 8.559 1.00 0.24 C ATOM 1543 C TRP A 95 -6.449 0.201 9.399 1.00 0.22 C ATOM 1544 O TRP A 95 -6.931 -0.209 10.437 1.00 0.22 O ATOM 1545 CB TRP A 95 -4.161 -0.792 9.263 1.00 0.33 C ATOM 1546 CG TRP A 95 -4.364 -1.338 10.640 1.00 0.35 C ATOM 1547 CD1 TRP A 95 -4.458 -0.594 11.765 1.00 0.46 C ATOM 1548 CD2 TRP A 95 -4.498 -2.728 11.057 1.00 0.34 C ATOM 1549 NE1 TRP A 95 -4.643 -1.437 12.846 1.00 0.45 N ATOM 1550 CE2 TRP A 95 -4.675 -2.763 12.460 1.00 0.34 C ATOM 1551 CE3 TRP A 95 -4.485 -3.950 10.359 1.00 0.44 C ATOM 1552 CZ2 TRP A 95 -4.831 -3.966 13.148 1.00 0.34 C ATOM 1553 CZ3 TRP A 95 -4.643 -5.163 11.048 1.00 0.52 C ATOM 1554 CH2 TRP A 95 -4.815 -5.172 12.440 1.00 0.43 C ATOM 0 H TRP A 95 -4.354 0.050 6.919 1.00 0.26 H new ATOM 0 HA TRP A 95 -5.951 -1.662 8.439 1.00 0.24 H new ATOM 0 HB2 TRP A 95 -3.500 -1.446 8.694 1.00 0.33 H new ATOM 0 HB3 TRP A 95 -3.677 0.183 9.314 1.00 0.33 H new ATOM 0 HD1 TRP A 95 -4.398 0.483 11.812 1.00 0.46 H new ATOM 0 HE1 TRP A 95 -4.743 -1.119 13.810 1.00 0.45 H new ATOM 0 HE3 TRP A 95 -4.353 -3.955 9.287 1.00 0.44 H new ATOM 0 HZ2 TRP A 95 -4.963 -3.966 14.220 1.00 0.34 H new ATOM 0 HZ3 TRP A 95 -4.632 -6.095 10.503 1.00 0.52 H new ATOM 0 HH2 TRP A 95 -4.935 -6.109 12.964 1.00 0.43 H new ATOM 1565 N GLY A 96 -6.710 1.402 8.960 1.00 0.26 N ATOM 1566 CA GLY A 96 -7.614 2.298 9.735 1.00 0.34 C ATOM 1567 C GLY A 96 -9.062 1.831 9.570 1.00 0.35 C ATOM 1568 O GLY A 96 -9.675 1.340 10.497 1.00 0.42 O ATOM 0 H GLY A 96 -6.337 1.801 8.099 1.00 0.26 H new ATOM 0 HA2 GLY A 96 -7.336 2.289 10.789 1.00 0.34 H new ATOM 0 HA3 GLY A 96 -7.510 3.326 9.387 1.00 0.34 H new ATOM 1572 N LEU A 97 -9.613 1.980 8.397 1.00 0.32 N ATOM 1573 CA LEU A 97 -11.021 1.544 8.175 1.00 0.41 C ATOM 1574 C LEU A 97 -11.146 0.047 8.456 1.00 0.41 C ATOM 1575 O LEU A 97 -12.213 -0.525 8.366 1.00 0.48 O ATOM 1576 CB LEU A 97 -11.438 1.840 6.726 1.00 0.42 C ATOM 1577 CG LEU A 97 -10.377 1.319 5.738 1.00 0.35 C ATOM 1578 CD1 LEU A 97 -10.371 -0.216 5.704 1.00 0.35 C ATOM 1579 CD2 LEU A 97 -10.695 1.849 4.339 1.00 0.37 C ATOM 0 H LEU A 97 -9.150 2.384 7.583 1.00 0.32 H new ATOM 0 HA LEU A 97 -11.677 2.092 8.852 1.00 0.41 H new ATOM 0 HB2 LEU A 97 -12.399 1.371 6.516 1.00 0.42 H new ATOM 0 HB3 LEU A 97 -11.571 2.914 6.592 1.00 0.42 H new ATOM 0 HG LEU A 97 -9.396 1.665 6.063 1.00 0.35 H new ATOM 0 HD11 LEU A 97 -9.614 -0.561 5.000 1.00 0.35 H new ATOM 0 HD12 LEU A 97 -10.144 -0.601 6.698 1.00 0.35 H new ATOM 0 HD13 LEU A 97 -11.350 -0.577 5.390 1.00 0.35 H new ATOM 0 HD21 LEU A 97 -9.948 1.485 3.633 1.00 0.37 H new ATOM 0 HD22 LEU A 97 -11.682 1.502 4.034 1.00 0.37 H new ATOM 0 HD23 LEU A 97 -10.681 2.939 4.351 1.00 0.37 H new ATOM 1591 N ALA A 98 -10.061 -0.595 8.796 1.00 0.36 N ATOM 1592 CA ALA A 98 -10.119 -2.057 9.082 1.00 0.37 C ATOM 1593 C ALA A 98 -10.628 -2.277 10.508 1.00 0.40 C ATOM 1594 O ALA A 98 -11.748 -2.697 10.719 1.00 0.50 O ATOM 1595 CB ALA A 98 -8.720 -2.660 8.941 1.00 0.34 C ATOM 0 H ALA A 98 -9.138 -0.171 8.888 1.00 0.36 H new ATOM 0 HA ALA A 98 -10.795 -2.539 8.376 1.00 0.37 H new ATOM 0 HB1 ALA A 98 -8.762 -3.729 9.150 1.00 0.34 H new ATOM 0 HB2 ALA A 98 -8.357 -2.503 7.925 1.00 0.34 H new ATOM 0 HB3 ALA A 98 -8.043 -2.178 9.647 1.00 0.34 H new ATOM 1601 N GLY A 99 -9.813 -1.998 11.488 1.00 0.37 N ATOM 1602 CA GLY A 99 -10.250 -2.192 12.899 1.00 0.39 C ATOM 1603 C GLY A 99 -10.110 -3.667 13.279 1.00 0.40 C ATOM 1604 O GLY A 99 -10.723 -4.137 14.218 1.00 0.69 O ATOM 0 H GLY A 99 -8.863 -1.644 11.372 1.00 0.37 H new ATOM 0 HA2 GLY A 99 -9.647 -1.575 13.566 1.00 0.39 H new ATOM 0 HA3 GLY A 99 -11.285 -1.872 13.017 1.00 0.39 H new ATOM 1608 N LEU A 100 -9.309 -4.402 12.559 1.00 0.14 N ATOM 1609 CA LEU A 100 -9.131 -5.845 12.879 1.00 0.16 C ATOM 1610 C LEU A 100 -8.028 -6.002 13.929 1.00 0.16 C ATOM 1611 O LEU A 100 -7.008 -5.345 13.874 1.00 0.25 O ATOM 1612 CB LEU A 100 -8.739 -6.606 11.612 1.00 0.17 C ATOM 1613 CG LEU A 100 -9.995 -7.166 10.941 1.00 0.28 C ATOM 1614 CD1 LEU A 100 -9.721 -7.395 9.454 1.00 0.45 C ATOM 1615 CD2 LEU A 100 -10.374 -8.495 11.599 1.00 0.44 C ATOM 0 H LEU A 100 -8.769 -4.065 11.762 1.00 0.14 H new ATOM 0 HA LEU A 100 -10.066 -6.247 13.269 1.00 0.16 H new ATOM 0 HB2 LEU A 100 -8.212 -5.943 10.926 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -8.054 -7.417 11.860 1.00 0.17 H new ATOM 0 HG LEU A 100 -10.814 -6.456 11.054 1.00 0.28 H new ATOM 0 HD11 LEU A 100 -10.616 -7.794 8.976 1.00 0.45 H new ATOM 0 HD12 LEU A 100 -9.450 -6.450 8.984 1.00 0.45 H new ATOM 0 HD13 LEU A 100 -8.902 -8.105 9.340 1.00 0.45 H new ATOM 0 HD21 LEU A 100 -11.269 -8.895 11.122 1.00 0.44 H new ATOM 0 HD22 LEU A 100 -9.554 -9.204 11.485 1.00 0.44 H new ATOM 0 HD23 LEU A 100 -10.569 -8.333 12.659 1.00 0.44 H new ATOM 1627 N ASN A 101 -8.224 -6.869 14.885 1.00 0.29 N ATOM 1628 CA ASN A 101 -7.187 -7.067 15.935 1.00 0.32 C ATOM 1629 C ASN A 101 -6.250 -8.202 15.519 1.00 0.34 C ATOM 1630 O ASN A 101 -5.101 -7.983 15.191 1.00 0.34 O ATOM 1631 CB ASN A 101 -7.864 -7.425 17.260 1.00 0.35 C ATOM 1632 CG ASN A 101 -8.603 -6.201 17.803 1.00 0.93 C ATOM 1633 OD1 ASN A 101 -9.784 -6.037 17.569 1.00 2.36 O ATOM 1634 ND2 ASN A 101 -7.954 -5.329 18.526 1.00 0.62 N ATOM 0 H ASN A 101 -9.058 -7.448 14.983 1.00 0.29 H new ATOM 0 HA ASN A 101 -6.613 -6.148 16.056 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -8.562 -8.249 17.113 1.00 0.35 H new ATOM 0 HB3 ASN A 101 -7.120 -7.763 17.981 1.00 0.35 H new ATOM 0 HD21 ASN A 101 -8.438 -4.510 18.894 1.00 0.62 H new ATOM 0 HD22 ASN A 101 -6.963 -5.466 18.723 1.00 0.62 H new ATOM 1641 N SER A 102 -6.733 -9.414 15.527 1.00 0.35 N ATOM 1642 CA SER A 102 -5.871 -10.562 15.130 1.00 0.38 C ATOM 1643 C SER A 102 -5.847 -10.679 13.605 1.00 0.30 C ATOM 1644 O SER A 102 -6.874 -10.665 12.956 1.00 0.25 O ATOM 1645 CB SER A 102 -6.432 -11.852 15.732 1.00 0.44 C ATOM 1646 OG SER A 102 -7.487 -12.334 14.909 1.00 1.75 O ATOM 0 H SER A 102 -7.687 -9.659 15.791 1.00 0.35 H new ATOM 0 HA SER A 102 -4.858 -10.400 15.497 1.00 0.38 H new ATOM 0 HB2 SER A 102 -5.645 -12.602 15.811 1.00 0.44 H new ATOM 0 HB3 SER A 102 -6.798 -11.667 16.742 1.00 0.44 H new ATOM 0 HG SER A 102 -7.686 -11.674 14.213 1.00 1.75 H new ATOM 1652 N CYS A 103 -4.683 -10.794 13.028 1.00 0.29 N ATOM 1653 CA CYS A 103 -4.595 -10.911 11.545 1.00 0.22 C ATOM 1654 C CYS A 103 -3.221 -11.466 11.151 1.00 0.25 C ATOM 1655 O CYS A 103 -2.422 -10.760 10.568 1.00 0.22 O ATOM 1656 CB CYS A 103 -4.775 -9.526 10.920 1.00 0.14 C ATOM 1657 SG CYS A 103 -5.095 -9.701 9.147 1.00 0.26 S ATOM 0 H CYS A 103 -3.789 -10.812 13.519 1.00 0.29 H new ATOM 0 HA CYS A 103 -5.374 -11.584 11.188 1.00 0.22 H new ATOM 0 HB2 CYS A 103 -5.603 -9.003 11.400 1.00 0.14 H new ATOM 0 HB3 CYS A 103 -3.881 -8.923 11.081 1.00 0.14 H new ATOM 1662 N PRO A 104 -2.978 -12.715 11.478 1.00 0.33 N ATOM 1663 CA PRO A 104 -1.694 -13.365 11.160 1.00 0.37 C ATOM 1664 C PRO A 104 -1.501 -13.438 9.641 1.00 0.30 C ATOM 1665 O PRO A 104 -2.450 -13.421 8.884 1.00 0.25 O ATOM 1666 CB PRO A 104 -1.803 -14.773 11.759 1.00 0.47 C ATOM 1667 CG PRO A 104 -3.199 -14.897 12.419 1.00 0.49 C ATOM 1668 CD PRO A 104 -3.948 -13.574 12.187 1.00 0.39 C ATOM 0 HA PRO A 104 -0.841 -12.817 11.562 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -1.678 -15.529 10.984 1.00 0.47 H new ATOM 0 HB3 PRO A 104 -1.016 -14.938 12.495 1.00 0.47 H new ATOM 0 HG2 PRO A 104 -3.753 -15.730 11.987 1.00 0.49 H new ATOM 0 HG3 PRO A 104 -3.101 -15.098 13.486 1.00 0.49 H new ATOM 0 HD2 PRO A 104 -4.849 -13.728 11.593 1.00 0.39 H new ATOM 0 HD3 PRO A 104 -4.260 -13.125 13.130 1.00 0.39 H new ATOM 1676 N VAL A 105 -0.278 -13.519 9.193 1.00 0.39 N ATOM 1677 CA VAL A 105 -0.027 -13.592 7.726 1.00 0.32 C ATOM 1678 C VAL A 105 -0.029 -15.055 7.281 1.00 0.55 C ATOM 1679 O VAL A 105 0.381 -15.937 8.009 1.00 0.71 O ATOM 1680 CB VAL A 105 1.333 -12.965 7.410 1.00 0.51 C ATOM 1681 CG1 VAL A 105 2.400 -13.573 8.322 1.00 0.62 C ATOM 1682 CG2 VAL A 105 1.694 -13.244 5.949 1.00 0.81 C ATOM 0 H VAL A 105 0.557 -13.538 9.778 1.00 0.39 H new ATOM 0 HA VAL A 105 -0.810 -13.050 7.196 1.00 0.32 H new ATOM 0 HB VAL A 105 1.284 -11.889 7.575 1.00 0.51 H new ATOM 0 HG11 VAL A 105 3.369 -13.126 8.097 1.00 0.62 H new ATOM 0 HG12 VAL A 105 2.143 -13.377 9.363 1.00 0.62 H new ATOM 0 HG13 VAL A 105 2.450 -14.649 8.157 1.00 0.62 H new ATOM 0 HG21 VAL A 105 2.662 -12.798 5.722 1.00 0.81 H new ATOM 0 HG22 VAL A 105 1.743 -14.321 5.785 1.00 0.81 H new ATOM 0 HG23 VAL A 105 0.934 -12.812 5.298 1.00 0.81 H new ATOM 1692 N LYS A 106 -0.486 -15.321 6.087 1.00 0.65 N ATOM 1693 CA LYS A 106 -0.515 -16.728 5.596 1.00 0.96 C ATOM 1694 C LYS A 106 0.771 -17.022 4.819 1.00 0.86 C ATOM 1695 O LYS A 106 1.861 -16.940 5.349 1.00 0.97 O ATOM 1696 CB LYS A 106 -1.722 -16.922 4.676 1.00 1.12 C ATOM 1697 CG LYS A 106 -1.876 -18.406 4.340 1.00 1.40 C ATOM 1698 CD LYS A 106 -3.109 -18.966 5.051 1.00 1.26 C ATOM 1699 CE LYS A 106 -3.116 -20.491 4.935 1.00 1.19 C ATOM 1700 NZ LYS A 106 -2.460 -21.085 6.135 1.00 1.35 N ATOM 0 H LYS A 106 -0.840 -14.625 5.431 1.00 0.65 H new ATOM 0 HA LYS A 106 -0.592 -17.408 6.444 1.00 0.96 H new ATOM 0 HB2 LYS A 106 -2.625 -16.553 5.161 1.00 1.12 H new ATOM 0 HB3 LYS A 106 -1.592 -16.343 3.762 1.00 1.12 H new ATOM 0 HG2 LYS A 106 -1.974 -18.537 3.262 1.00 1.40 H new ATOM 0 HG3 LYS A 106 -0.985 -18.954 4.648 1.00 1.40 H new ATOM 0 HD2 LYS A 106 -3.102 -18.671 6.100 1.00 1.26 H new ATOM 0 HD3 LYS A 106 -4.016 -18.553 4.609 1.00 1.26 H new ATOM 0 HE2 LYS A 106 -4.140 -20.855 4.850 1.00 1.19 H new ATOM 0 HE3 LYS A 106 -2.592 -20.800 4.031 1.00 1.19 H new ATOM 0 HZ1 LYS A 106 -2.465 -22.122 6.056 1.00 1.35 H new ATOM 0 HZ2 LYS A 106 -1.478 -20.747 6.197 1.00 1.35 H new ATOM 0 HZ3 LYS A 106 -2.979 -20.801 6.991 1.00 1.35 H new ATOM 1714 N GLU A 107 0.651 -17.363 3.565 1.00 0.80 N ATOM 1715 CA GLU A 107 1.866 -17.662 2.755 1.00 0.72 C ATOM 1716 C GLU A 107 1.626 -17.246 1.302 1.00 0.67 C ATOM 1717 O GLU A 107 0.518 -17.295 0.808 1.00 1.05 O ATOM 1718 CB GLU A 107 2.161 -19.162 2.813 1.00 0.89 C ATOM 1719 CG GLU A 107 2.811 -19.504 4.155 1.00 0.95 C ATOM 1720 CD GLU A 107 3.126 -21.000 4.206 1.00 1.67 C ATOM 1721 OE1 GLU A 107 2.992 -21.647 3.181 1.00 2.34 O ATOM 1722 OE2 GLU A 107 3.496 -21.473 5.268 1.00 2.16 O ATOM 0 H GLU A 107 -0.235 -17.447 3.067 1.00 0.80 H new ATOM 0 HA GLU A 107 2.715 -17.108 3.156 1.00 0.72 H new ATOM 0 HB2 GLU A 107 1.239 -19.730 2.689 1.00 0.89 H new ATOM 0 HB3 GLU A 107 2.822 -19.445 1.994 1.00 0.89 H new ATOM 0 HG2 GLU A 107 3.725 -18.925 4.286 1.00 0.95 H new ATOM 0 HG3 GLU A 107 2.143 -19.235 4.973 1.00 0.95 H new ATOM 1729 N ALA A 108 2.658 -16.837 0.615 1.00 0.28 N ATOM 1730 CA ALA A 108 2.488 -16.418 -0.805 1.00 0.25 C ATOM 1731 C ALA A 108 3.858 -16.329 -1.479 1.00 0.11 C ATOM 1732 O ALA A 108 4.869 -16.672 -0.897 1.00 0.23 O ATOM 1733 CB ALA A 108 1.806 -15.049 -0.855 1.00 0.41 C ATOM 0 H ALA A 108 3.610 -16.775 0.975 1.00 0.28 H new ATOM 0 HA ALA A 108 1.873 -17.150 -1.328 1.00 0.25 H new ATOM 0 HB1 ALA A 108 1.682 -14.742 -1.894 1.00 0.41 H new ATOM 0 HB2 ALA A 108 0.829 -15.111 -0.375 1.00 0.41 H new ATOM 0 HB3 ALA A 108 2.421 -14.317 -0.332 1.00 0.41 H new ATOM 1739 N ASP A 109 3.901 -15.874 -2.701 1.00 0.31 N ATOM 1740 CA ASP A 109 5.207 -15.764 -3.410 1.00 0.57 C ATOM 1741 C ASP A 109 5.786 -14.364 -3.200 1.00 0.52 C ATOM 1742 O ASP A 109 6.088 -13.966 -2.092 1.00 0.53 O ATOM 1743 CB ASP A 109 4.997 -16.011 -4.906 1.00 0.80 C ATOM 1744 CG ASP A 109 4.548 -17.456 -5.128 1.00 1.04 C ATOM 1745 OD1 ASP A 109 4.767 -18.267 -4.242 1.00 1.63 O ATOM 1746 OD2 ASP A 109 3.992 -17.729 -6.179 1.00 0.96 O ATOM 0 H ASP A 109 3.088 -15.574 -3.239 1.00 0.31 H new ATOM 0 HA ASP A 109 5.900 -16.506 -3.013 1.00 0.57 H new ATOM 0 HB2 ASP A 109 4.248 -15.322 -5.297 1.00 0.80 H new ATOM 0 HB3 ASP A 109 5.922 -15.819 -5.450 1.00 0.80 H new ATOM 1751 N GLN A 110 5.943 -13.613 -4.256 1.00 0.54 N ATOM 1752 CA GLN A 110 6.504 -12.239 -4.115 1.00 0.58 C ATOM 1753 C GLN A 110 5.930 -11.339 -5.212 1.00 0.54 C ATOM 1754 O GLN A 110 5.249 -11.794 -6.109 1.00 0.58 O ATOM 1755 CB GLN A 110 8.027 -12.294 -4.244 1.00 0.76 C ATOM 1756 CG GLN A 110 8.667 -11.912 -2.908 1.00 1.50 C ATOM 1757 CD GLN A 110 10.181 -12.112 -2.992 1.00 1.54 C ATOM 1758 OE1 GLN A 110 10.861 -12.128 -1.985 1.00 2.50 O ATOM 1759 NE2 GLN A 110 10.743 -12.267 -4.159 1.00 1.17 N ATOM 0 H GLN A 110 5.708 -13.891 -5.209 1.00 0.54 H new ATOM 0 HA GLN A 110 6.237 -11.836 -3.138 1.00 0.58 H new ATOM 0 HB2 GLN A 110 8.342 -13.296 -4.537 1.00 0.76 H new ATOM 0 HB3 GLN A 110 8.361 -11.613 -5.027 1.00 0.76 H new ATOM 0 HG2 GLN A 110 8.439 -10.874 -2.667 1.00 1.50 H new ATOM 0 HG3 GLN A 110 8.253 -12.523 -2.106 1.00 1.50 H new ATOM 0 HE21 GLN A 110 10.173 -12.254 -5.005 1.00 1.17 H new ATOM 0 HE22 GLN A 110 11.752 -12.401 -4.225 1.00 1.17 H new ATOM 1768 N SER A 111 6.203 -10.064 -5.148 1.00 0.49 N ATOM 1769 CA SER A 111 5.675 -9.136 -6.187 1.00 0.45 C ATOM 1770 C SER A 111 6.486 -7.839 -6.171 1.00 0.43 C ATOM 1771 O SER A 111 6.953 -7.400 -5.139 1.00 0.54 O ATOM 1772 CB SER A 111 4.207 -8.823 -5.894 1.00 0.45 C ATOM 1773 OG SER A 111 4.073 -8.436 -4.533 1.00 0.55 O ATOM 0 H SER A 111 6.769 -9.626 -4.421 1.00 0.49 H new ATOM 0 HA SER A 111 5.757 -9.604 -7.168 1.00 0.45 H new ATOM 0 HB2 SER A 111 3.856 -8.024 -6.548 1.00 0.45 H new ATOM 0 HB3 SER A 111 3.589 -9.697 -6.098 1.00 0.45 H new ATOM 0 HG SER A 111 4.924 -8.578 -4.067 1.00 0.55 H new ATOM 1779 N THR A 112 6.659 -7.222 -7.308 1.00 0.33 N ATOM 1780 CA THR A 112 7.441 -5.955 -7.357 1.00 0.31 C ATOM 1781 C THR A 112 6.571 -4.798 -6.862 1.00 0.28 C ATOM 1782 O THR A 112 5.396 -4.721 -7.161 1.00 0.26 O ATOM 1783 CB THR A 112 7.881 -5.682 -8.797 1.00 0.27 C ATOM 1784 OG1 THR A 112 6.850 -6.080 -9.689 1.00 0.24 O ATOM 1785 CG2 THR A 112 9.156 -6.471 -9.102 1.00 0.56 C ATOM 0 H THR A 112 6.292 -7.541 -8.205 1.00 0.33 H new ATOM 0 HA THR A 112 8.320 -6.047 -6.719 1.00 0.31 H new ATOM 0 HB THR A 112 8.078 -4.617 -8.921 1.00 0.27 H new ATOM 0 HG1 THR A 112 7.130 -5.904 -10.612 1.00 0.24 H new ATOM 0 HG21 THR A 112 9.468 -6.276 -10.128 1.00 0.56 H new ATOM 0 HG22 THR A 112 9.947 -6.164 -8.417 1.00 0.56 H new ATOM 0 HG23 THR A 112 8.963 -7.537 -8.978 1.00 0.56 H new ATOM 1793 N LEU A 113 7.139 -3.897 -6.108 1.00 0.29 N ATOM 1794 CA LEU A 113 6.345 -2.745 -5.595 1.00 0.27 C ATOM 1795 C LEU A 113 5.630 -2.064 -6.764 1.00 0.28 C ATOM 1796 O LEU A 113 4.566 -1.498 -6.610 1.00 0.28 O ATOM 1797 CB LEU A 113 7.285 -1.746 -4.911 1.00 0.30 C ATOM 1798 CG LEU A 113 6.479 -0.594 -4.297 1.00 0.29 C ATOM 1799 CD1 LEU A 113 5.547 -1.128 -3.205 1.00 0.39 C ATOM 1800 CD2 LEU A 113 7.442 0.424 -3.683 1.00 0.32 C ATOM 0 H LEU A 113 8.119 -3.909 -5.825 1.00 0.29 H new ATOM 0 HA LEU A 113 5.606 -3.097 -4.875 1.00 0.27 H new ATOM 0 HB2 LEU A 113 7.861 -2.250 -4.135 1.00 0.30 H new ATOM 0 HB3 LEU A 113 8.000 -1.354 -5.635 1.00 0.30 H new ATOM 0 HG LEU A 113 5.883 -0.120 -5.077 1.00 0.29 H new ATOM 0 HD11 LEU A 113 4.979 -0.303 -2.775 1.00 0.39 H new ATOM 0 HD12 LEU A 113 4.859 -1.855 -3.637 1.00 0.39 H new ATOM 0 HD13 LEU A 113 6.138 -1.607 -2.424 1.00 0.39 H new ATOM 0 HD21 LEU A 113 6.874 1.245 -3.245 1.00 0.32 H new ATOM 0 HD22 LEU A 113 8.037 -0.059 -2.908 1.00 0.32 H new ATOM 0 HD23 LEU A 113 8.103 0.813 -4.458 1.00 0.32 H new ATOM 1812 N GLU A 114 6.206 -2.113 -7.934 1.00 0.30 N ATOM 1813 CA GLU A 114 5.559 -1.467 -9.111 1.00 0.33 C ATOM 1814 C GLU A 114 4.289 -2.238 -9.479 1.00 0.33 C ATOM 1815 O GLU A 114 3.189 -1.818 -9.181 1.00 0.33 O ATOM 1816 CB GLU A 114 6.526 -1.480 -10.296 1.00 0.35 C ATOM 1817 CG GLU A 114 5.878 -0.776 -11.491 1.00 0.23 C ATOM 1818 CD GLU A 114 6.803 0.335 -11.992 1.00 1.02 C ATOM 1819 OE1 GLU A 114 7.280 1.097 -11.168 1.00 2.36 O ATOM 1820 OE2 GLU A 114 7.018 0.405 -13.191 1.00 1.08 O ATOM 0 H GLU A 114 7.096 -2.572 -8.126 1.00 0.30 H new ATOM 0 HA GLU A 114 5.301 -0.437 -8.865 1.00 0.33 H new ATOM 0 HB2 GLU A 114 7.456 -0.980 -10.026 1.00 0.35 H new ATOM 0 HB3 GLU A 114 6.781 -2.506 -10.560 1.00 0.35 H new ATOM 0 HG2 GLU A 114 5.688 -1.493 -12.290 1.00 0.23 H new ATOM 0 HG3 GLU A 114 4.914 -0.358 -11.201 1.00 0.23 H new ATOM 1827 N ASN A 115 4.433 -3.362 -10.126 1.00 0.35 N ATOM 1828 CA ASN A 115 3.232 -4.156 -10.510 1.00 0.36 C ATOM 1829 C ASN A 115 2.321 -4.318 -9.294 1.00 0.33 C ATOM 1830 O ASN A 115 1.121 -4.138 -9.376 1.00 0.37 O ATOM 1831 CB ASN A 115 3.671 -5.536 -11.007 1.00 0.38 C ATOM 1832 CG ASN A 115 4.418 -5.388 -12.334 1.00 0.45 C ATOM 1833 OD1 ASN A 115 5.445 -4.740 -12.397 1.00 1.61 O ATOM 1834 ND2 ASN A 115 3.945 -5.964 -13.404 1.00 1.00 N ATOM 0 H ASN A 115 5.328 -3.764 -10.405 1.00 0.35 H new ATOM 0 HA ASN A 115 2.692 -3.640 -11.303 1.00 0.36 H new ATOM 0 HB2 ASN A 115 4.314 -6.013 -10.267 1.00 0.38 H new ATOM 0 HB3 ASN A 115 2.802 -6.181 -11.137 1.00 0.38 H new ATOM 0 HD21 ASN A 115 4.436 -5.871 -14.293 1.00 1.00 H new ATOM 0 HD22 ASN A 115 3.084 -6.508 -13.352 1.00 1.00 H new ATOM 1841 N PHE A 116 2.879 -4.655 -8.163 1.00 0.25 N ATOM 1842 CA PHE A 116 2.044 -4.826 -6.942 1.00 0.22 C ATOM 1843 C PHE A 116 1.105 -3.627 -6.798 1.00 0.17 C ATOM 1844 O PHE A 116 -0.062 -3.773 -6.493 1.00 0.14 O ATOM 1845 CB PHE A 116 2.950 -4.915 -5.712 1.00 0.21 C ATOM 1846 CG PHE A 116 2.105 -4.927 -4.462 1.00 0.20 C ATOM 1847 CD1 PHE A 116 1.684 -3.721 -3.889 1.00 0.17 C ATOM 1848 CD2 PHE A 116 1.740 -6.145 -3.875 1.00 0.20 C ATOM 1849 CE1 PHE A 116 0.900 -3.732 -2.729 1.00 0.16 C ATOM 1850 CE2 PHE A 116 0.956 -6.156 -2.715 1.00 0.19 C ATOM 1851 CZ PHE A 116 0.536 -4.950 -2.142 1.00 0.16 C ATOM 0 H PHE A 116 3.877 -4.819 -8.033 1.00 0.25 H new ATOM 0 HA PHE A 116 1.457 -5.741 -7.027 1.00 0.22 H new ATOM 0 HB2 PHE A 116 3.559 -5.818 -5.761 1.00 0.21 H new ATOM 0 HB3 PHE A 116 3.636 -4.069 -5.691 1.00 0.21 H new ATOM 0 HD1 PHE A 116 1.964 -2.782 -4.342 1.00 0.17 H new ATOM 0 HD2 PHE A 116 2.063 -7.076 -4.317 1.00 0.20 H new ATOM 0 HE1 PHE A 116 0.576 -2.801 -2.287 1.00 0.16 H new ATOM 0 HE2 PHE A 116 0.675 -7.095 -2.262 1.00 0.19 H new ATOM 0 HZ PHE A 116 -0.069 -4.959 -1.247 1.00 0.16 H new ATOM 1861 N LEU A 117 1.605 -2.442 -7.016 1.00 0.18 N ATOM 1862 CA LEU A 117 0.741 -1.234 -6.892 1.00 0.15 C ATOM 1863 C LEU A 117 -0.291 -1.228 -8.023 1.00 0.10 C ATOM 1864 O LEU A 117 -1.399 -0.757 -7.862 1.00 0.17 O ATOM 1865 CB LEU A 117 1.607 0.024 -6.986 1.00 0.21 C ATOM 1866 CG LEU A 117 1.970 0.504 -5.578 1.00 0.28 C ATOM 1867 CD1 LEU A 117 3.200 1.410 -5.650 1.00 0.27 C ATOM 1868 CD2 LEU A 117 0.798 1.288 -4.982 1.00 0.44 C ATOM 0 H LEU A 117 2.574 -2.258 -7.275 1.00 0.18 H new ATOM 0 HA LEU A 117 0.228 -1.251 -5.931 1.00 0.15 H new ATOM 0 HB2 LEU A 117 2.513 -0.188 -7.554 1.00 0.21 H new ATOM 0 HB3 LEU A 117 1.071 0.808 -7.521 1.00 0.21 H new ATOM 0 HG LEU A 117 2.186 -0.359 -4.948 1.00 0.28 H new ATOM 0 HD11 LEU A 117 3.459 1.752 -4.648 1.00 0.27 H new ATOM 0 HD12 LEU A 117 4.037 0.854 -6.071 1.00 0.27 H new ATOM 0 HD13 LEU A 117 2.981 2.271 -6.282 1.00 0.27 H new ATOM 0 HD21 LEU A 117 1.060 1.628 -3.980 1.00 0.44 H new ATOM 0 HD22 LEU A 117 0.579 2.150 -5.612 1.00 0.44 H new ATOM 0 HD23 LEU A 117 -0.080 0.645 -4.929 1.00 0.44 H new ATOM 1880 N GLU A 118 0.065 -1.749 -9.165 1.00 0.22 N ATOM 1881 CA GLU A 118 -0.897 -1.773 -10.304 1.00 0.17 C ATOM 1882 C GLU A 118 -2.092 -2.657 -9.943 1.00 0.12 C ATOM 1883 O GLU A 118 -3.226 -2.222 -9.962 1.00 0.17 O ATOM 1884 CB GLU A 118 -0.203 -2.335 -11.546 1.00 0.18 C ATOM 1885 CG GLU A 118 -1.048 -2.032 -12.785 1.00 0.15 C ATOM 1886 CD GLU A 118 -0.424 -0.868 -13.557 1.00 0.73 C ATOM 1887 OE1 GLU A 118 0.766 -0.926 -13.818 1.00 1.08 O ATOM 1888 OE2 GLU A 118 -1.148 0.062 -13.873 1.00 1.51 O ATOM 0 H GLU A 118 0.979 -2.159 -9.359 1.00 0.22 H new ATOM 0 HA GLU A 118 -1.243 -0.760 -10.509 1.00 0.17 H new ATOM 0 HB2 GLU A 118 0.788 -1.894 -11.652 1.00 0.18 H new ATOM 0 HB3 GLU A 118 -0.064 -3.411 -11.442 1.00 0.18 H new ATOM 0 HG2 GLU A 118 -1.107 -2.914 -13.422 1.00 0.15 H new ATOM 0 HG3 GLU A 118 -2.067 -1.782 -12.491 1.00 0.15 H new ATOM 1895 N ARG A 119 -1.847 -3.896 -9.614 1.00 0.18 N ATOM 1896 CA ARG A 119 -2.971 -4.807 -9.251 1.00 0.22 C ATOM 1897 C ARG A 119 -3.710 -4.243 -8.037 1.00 0.23 C ATOM 1898 O ARG A 119 -4.910 -4.383 -7.909 1.00 0.25 O ATOM 1899 CB ARG A 119 -2.415 -6.192 -8.913 1.00 0.29 C ATOM 1900 CG ARG A 119 -1.351 -6.063 -7.821 1.00 0.40 C ATOM 1901 CD ARG A 119 -0.727 -7.434 -7.552 1.00 0.31 C ATOM 1902 NE ARG A 119 0.171 -7.801 -8.681 1.00 1.69 N ATOM 1903 CZ ARG A 119 1.032 -8.772 -8.541 1.00 1.97 C ATOM 1904 NH1 ARG A 119 1.106 -9.420 -7.411 1.00 1.31 N ATOM 1905 NH2 ARG A 119 1.819 -9.095 -9.531 1.00 3.26 N ATOM 0 H ARG A 119 -0.919 -4.317 -9.581 1.00 0.18 H new ATOM 0 HA ARG A 119 -3.661 -4.888 -10.091 1.00 0.22 H new ATOM 0 HB2 ARG A 119 -3.219 -6.846 -8.576 1.00 0.29 H new ATOM 0 HB3 ARG A 119 -1.984 -6.650 -9.803 1.00 0.29 H new ATOM 0 HG2 ARG A 119 -0.581 -5.356 -8.130 1.00 0.40 H new ATOM 0 HG3 ARG A 119 -1.798 -5.669 -6.908 1.00 0.40 H new ATOM 0 HD2 ARG A 119 -0.165 -7.413 -6.618 1.00 0.31 H new ATOM 0 HD3 ARG A 119 -1.509 -8.185 -7.436 1.00 0.31 H new ATOM 0 HE ARG A 119 0.114 -7.294 -9.564 1.00 1.69 H new ATOM 0 HH11 ARG A 119 0.491 -9.168 -6.637 1.00 1.31 H new ATOM 0 HH12 ARG A 119 1.779 -10.179 -7.301 1.00 1.31 H new ATOM 0 HH21 ARG A 119 1.761 -8.589 -10.414 1.00 3.26 H new ATOM 0 HH22 ARG A 119 2.492 -9.854 -9.421 1.00 3.26 H new ATOM 1919 N LEU A 120 -3.004 -3.606 -7.143 1.00 0.24 N ATOM 1920 CA LEU A 120 -3.668 -3.034 -5.939 1.00 0.26 C ATOM 1921 C LEU A 120 -4.589 -1.890 -6.368 1.00 0.20 C ATOM 1922 O LEU A 120 -5.782 -1.920 -6.136 1.00 0.20 O ATOM 1923 CB LEU A 120 -2.600 -2.501 -4.977 1.00 0.30 C ATOM 1924 CG LEU A 120 -3.178 -2.388 -3.561 1.00 0.33 C ATOM 1925 CD1 LEU A 120 -2.075 -1.955 -2.595 1.00 0.38 C ATOM 1926 CD2 LEU A 120 -4.307 -1.352 -3.535 1.00 0.28 C ATOM 0 H LEU A 120 -1.996 -3.457 -7.195 1.00 0.24 H new ATOM 0 HA LEU A 120 -4.254 -3.805 -5.439 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -1.737 -3.167 -4.974 1.00 0.30 H new ATOM 0 HB3 LEU A 120 -2.249 -1.526 -5.314 1.00 0.30 H new ATOM 0 HG LEU A 120 -3.574 -3.358 -3.260 1.00 0.33 H new ATOM 0 HD11 LEU A 120 -2.484 -1.874 -1.588 1.00 0.38 H new ATOM 0 HD12 LEU A 120 -1.274 -2.694 -2.603 1.00 0.38 H new ATOM 0 HD13 LEU A 120 -1.679 -0.988 -2.905 1.00 0.38 H new ATOM 0 HD21 LEU A 120 -4.711 -1.279 -2.525 1.00 0.28 H new ATOM 0 HD22 LEU A 120 -3.917 -0.381 -3.841 1.00 0.28 H new ATOM 0 HD23 LEU A 120 -5.097 -1.658 -4.221 1.00 0.28 H new ATOM 1938 N LYS A 121 -4.047 -0.882 -6.995 1.00 0.16 N ATOM 1939 CA LYS A 121 -4.893 0.261 -7.439 1.00 0.11 C ATOM 1940 C LYS A 121 -6.057 -0.264 -8.282 1.00 0.12 C ATOM 1941 O LYS A 121 -7.203 0.059 -8.044 1.00 0.13 O ATOM 1942 CB LYS A 121 -4.050 1.225 -8.277 1.00 0.14 C ATOM 1943 CG LYS A 121 -4.889 2.448 -8.651 1.00 0.11 C ATOM 1944 CD LYS A 121 -5.027 2.527 -10.172 1.00 1.13 C ATOM 1945 CE LYS A 121 -3.653 2.777 -10.798 1.00 0.34 C ATOM 1946 NZ LYS A 121 -3.331 1.672 -11.745 1.00 1.75 N ATOM 0 H LYS A 121 -3.055 -0.801 -7.219 1.00 0.16 H new ATOM 0 HA LYS A 121 -5.283 0.785 -6.566 1.00 0.11 H new ATOM 0 HB2 LYS A 121 -3.168 1.534 -7.716 1.00 0.14 H new ATOM 0 HB3 LYS A 121 -3.696 0.725 -9.178 1.00 0.14 H new ATOM 0 HG2 LYS A 121 -5.874 2.381 -8.189 1.00 0.11 H new ATOM 0 HG3 LYS A 121 -4.419 3.355 -8.270 1.00 0.11 H new ATOM 0 HD2 LYS A 121 -5.451 1.600 -10.558 1.00 1.13 H new ATOM 0 HD3 LYS A 121 -5.714 3.329 -10.444 1.00 1.13 H new ATOM 0 HE2 LYS A 121 -3.649 3.733 -11.322 1.00 0.34 H new ATOM 0 HE3 LYS A 121 -2.892 2.837 -10.020 1.00 0.34 H new ATOM 0 HZ1 LYS A 121 -2.303 1.633 -11.896 1.00 1.75 H new ATOM 0 HZ2 LYS A 121 -3.657 0.768 -11.347 1.00 1.75 H new ATOM 0 HZ3 LYS A 121 -3.808 1.843 -12.653 1.00 1.75 H new ATOM 1960 N THR A 122 -5.771 -1.072 -9.266 1.00 0.28 N ATOM 1961 CA THR A 122 -6.861 -1.617 -10.123 1.00 0.31 C ATOM 1962 C THR A 122 -7.874 -2.356 -9.247 1.00 0.34 C ATOM 1963 O THR A 122 -9.070 -2.180 -9.378 1.00 0.37 O ATOM 1964 CB THR A 122 -6.270 -2.586 -11.149 1.00 0.41 C ATOM 1965 OG1 THR A 122 -4.987 -2.125 -11.549 1.00 0.46 O ATOM 1966 CG2 THR A 122 -7.189 -2.665 -12.368 1.00 0.69 C ATOM 0 H THR A 122 -4.830 -1.378 -9.513 1.00 0.28 H new ATOM 0 HA THR A 122 -7.358 -0.798 -10.644 1.00 0.31 H new ATOM 0 HB THR A 122 -6.178 -3.576 -10.703 1.00 0.41 H new ATOM 0 HG1 THR A 122 -4.300 -2.548 -10.993 1.00 0.46 H new ATOM 0 HG21 THR A 122 -6.767 -3.356 -13.098 1.00 0.69 H new ATOM 0 HG22 THR A 122 -8.173 -3.020 -12.060 1.00 0.69 H new ATOM 0 HG23 THR A 122 -7.284 -1.676 -12.817 1.00 0.69 H new ATOM 1974 N ILE A 123 -7.406 -3.185 -8.353 1.00 0.37 N ATOM 1975 CA ILE A 123 -8.342 -3.934 -7.469 1.00 0.41 C ATOM 1976 C ILE A 123 -9.165 -2.944 -6.644 1.00 0.38 C ATOM 1977 O ILE A 123 -10.345 -3.135 -6.423 1.00 0.41 O ATOM 1978 CB ILE A 123 -7.541 -4.839 -6.531 1.00 0.51 C ATOM 1979 CG1 ILE A 123 -7.103 -6.097 -7.286 1.00 0.54 C ATOM 1980 CG2 ILE A 123 -8.412 -5.241 -5.339 1.00 0.55 C ATOM 1981 CD1 ILE A 123 -5.980 -6.792 -6.515 1.00 0.67 C ATOM 0 H ILE A 123 -6.416 -3.375 -8.197 1.00 0.37 H new ATOM 0 HA ILE A 123 -9.010 -4.543 -8.078 1.00 0.41 H new ATOM 0 HB ILE A 123 -6.662 -4.302 -6.175 1.00 0.51 H new ATOM 0 HG12 ILE A 123 -7.949 -6.774 -7.406 1.00 0.54 H new ATOM 0 HG13 ILE A 123 -6.761 -5.833 -8.287 1.00 0.54 H new ATOM 0 HG21 ILE A 123 -7.840 -5.886 -4.672 1.00 0.55 H new ATOM 0 HG22 ILE A 123 -8.726 -4.347 -4.800 1.00 0.55 H new ATOM 0 HG23 ILE A 123 -9.292 -5.777 -5.695 1.00 0.55 H new ATOM 0 HD11 ILE A 123 -5.669 -7.687 -7.053 1.00 0.67 H new ATOM 0 HD12 ILE A 123 -5.132 -6.114 -6.418 1.00 0.67 H new ATOM 0 HD13 ILE A 123 -6.338 -7.071 -5.524 1.00 0.67 H new ATOM 1993 N MET A 124 -8.554 -1.886 -6.185 1.00 0.36 N ATOM 1994 CA MET A 124 -9.303 -0.885 -5.375 1.00 0.37 C ATOM 1995 C MET A 124 -10.452 -0.312 -6.207 1.00 0.33 C ATOM 1996 O MET A 124 -11.607 -0.431 -5.852 1.00 0.37 O ATOM 1997 CB MET A 124 -8.358 0.246 -4.962 1.00 0.38 C ATOM 1998 CG MET A 124 -7.613 -0.151 -3.687 1.00 0.38 C ATOM 1999 SD MET A 124 -8.557 0.391 -2.241 1.00 0.40 S ATOM 2000 CE MET A 124 -7.147 0.904 -1.228 1.00 0.68 C ATOM 0 H MET A 124 -7.568 -1.672 -6.336 1.00 0.36 H new ATOM 0 HA MET A 124 -9.705 -1.366 -4.484 1.00 0.37 H new ATOM 0 HB2 MET A 124 -7.647 0.451 -5.762 1.00 0.38 H new ATOM 0 HB3 MET A 124 -8.923 1.163 -4.795 1.00 0.38 H new ATOM 0 HG2 MET A 124 -7.471 -1.231 -3.658 1.00 0.38 H new ATOM 0 HG3 MET A 124 -6.621 0.301 -3.677 1.00 0.38 H new ATOM 0 HE1 MET A 124 -7.501 1.230 -0.250 1.00 0.68 H new ATOM 0 HE2 MET A 124 -6.463 0.064 -1.105 1.00 0.68 H new ATOM 0 HE3 MET A 124 -6.627 1.727 -1.719 1.00 0.68 H new ATOM 2010 N ARG A 125 -10.144 0.310 -7.313 1.00 0.31 N ATOM 2011 CA ARG A 125 -11.219 0.889 -8.165 1.00 0.33 C ATOM 2012 C ARG A 125 -12.185 -0.218 -8.589 1.00 0.34 C ATOM 2013 O ARG A 125 -13.293 0.040 -9.015 1.00 0.37 O ATOM 2014 CB ARG A 125 -10.596 1.527 -9.408 1.00 0.53 C ATOM 2015 CG ARG A 125 -10.532 3.044 -9.221 1.00 0.87 C ATOM 2016 CD ARG A 125 -9.554 3.641 -10.232 1.00 0.61 C ATOM 2017 NE ARG A 125 -10.054 3.394 -11.614 1.00 0.75 N ATOM 2018 CZ ARG A 125 -9.552 4.058 -12.618 1.00 1.34 C ATOM 2019 NH1 ARG A 125 -8.612 4.940 -12.413 1.00 1.29 N ATOM 2020 NH2 ARG A 125 -9.990 3.841 -13.828 1.00 2.26 N ATOM 0 H ARG A 125 -9.195 0.442 -7.662 1.00 0.31 H new ATOM 0 HA ARG A 125 -11.761 1.648 -7.601 1.00 0.33 H new ATOM 0 HB2 ARG A 125 -9.596 1.127 -9.573 1.00 0.53 H new ATOM 0 HB3 ARG A 125 -11.187 1.283 -10.291 1.00 0.53 H new ATOM 0 HG2 ARG A 125 -11.522 3.480 -9.356 1.00 0.87 H new ATOM 0 HG3 ARG A 125 -10.214 3.283 -8.206 1.00 0.87 H new ATOM 0 HD2 ARG A 125 -9.445 4.712 -10.059 1.00 0.61 H new ATOM 0 HD3 ARG A 125 -8.567 3.195 -10.106 1.00 0.61 H new ATOM 0 HE ARG A 125 -10.789 2.705 -11.775 1.00 0.75 H new ATOM 0 HH11 ARG A 125 -8.270 5.110 -11.467 1.00 1.29 H new ATOM 0 HH12 ARG A 125 -8.220 5.459 -13.198 1.00 1.29 H new ATOM 0 HH21 ARG A 125 -10.725 3.152 -13.988 1.00 2.26 H new ATOM 0 HH22 ARG A 125 -9.597 4.360 -14.613 1.00 2.26 H new ATOM 2034 N GLU A 126 -11.775 -1.453 -8.475 1.00 0.40 N ATOM 2035 CA GLU A 126 -12.671 -2.575 -8.870 1.00 0.55 C ATOM 2036 C GLU A 126 -13.696 -2.823 -7.762 1.00 0.56 C ATOM 2037 O GLU A 126 -14.889 -2.755 -7.980 1.00 0.58 O ATOM 2038 CB GLU A 126 -11.838 -3.841 -9.087 1.00 0.71 C ATOM 2039 CG GLU A 126 -12.670 -4.874 -9.849 1.00 0.53 C ATOM 2040 CD GLU A 126 -12.312 -6.279 -9.358 1.00 0.83 C ATOM 2041 OE1 GLU A 126 -11.162 -6.658 -9.497 1.00 2.03 O ATOM 2042 OE2 GLU A 126 -13.196 -6.951 -8.852 1.00 1.23 O ATOM 0 H GLU A 126 -10.858 -1.732 -8.125 1.00 0.40 H new ATOM 0 HA GLU A 126 -13.189 -2.318 -9.794 1.00 0.55 H new ATOM 0 HB2 GLU A 126 -10.933 -3.603 -9.646 1.00 0.71 H new ATOM 0 HB3 GLU A 126 -11.521 -4.250 -8.127 1.00 0.71 H new ATOM 0 HG2 GLU A 126 -13.733 -4.684 -9.698 1.00 0.53 H new ATOM 0 HG3 GLU A 126 -12.480 -4.792 -10.919 1.00 0.53 H new ATOM 2049 N LYS A 127 -13.241 -3.109 -6.572 1.00 0.63 N ATOM 2050 CA LYS A 127 -14.190 -3.358 -5.452 1.00 0.79 C ATOM 2051 C LYS A 127 -14.751 -2.025 -4.955 1.00 0.76 C ATOM 2052 O LYS A 127 -15.640 -1.983 -4.128 1.00 0.88 O ATOM 2053 CB LYS A 127 -13.457 -4.061 -4.307 1.00 0.96 C ATOM 2054 CG LYS A 127 -12.510 -5.119 -4.877 1.00 1.02 C ATOM 2055 CD LYS A 127 -12.547 -6.368 -3.995 1.00 1.44 C ATOM 2056 CE LYS A 127 -12.218 -5.985 -2.551 1.00 0.63 C ATOM 2057 NZ LYS A 127 -13.472 -5.970 -1.745 1.00 2.17 N ATOM 0 H LYS A 127 -12.253 -3.181 -6.328 1.00 0.63 H new ATOM 0 HA LYS A 127 -15.007 -3.990 -5.802 1.00 0.79 H new ATOM 0 HB2 LYS A 127 -12.895 -3.334 -3.720 1.00 0.96 H new ATOM 0 HB3 LYS A 127 -14.176 -4.527 -3.633 1.00 0.96 H new ATOM 0 HG2 LYS A 127 -12.802 -5.372 -5.896 1.00 1.02 H new ATOM 0 HG3 LYS A 127 -11.495 -4.725 -4.925 1.00 1.02 H new ATOM 0 HD2 LYS A 127 -13.533 -6.831 -4.044 1.00 1.44 H new ATOM 0 HD3 LYS A 127 -11.830 -7.104 -4.359 1.00 1.44 H new ATOM 0 HE2 LYS A 127 -11.509 -6.696 -2.127 1.00 0.63 H new ATOM 0 HE3 LYS A 127 -11.742 -5.005 -2.522 1.00 0.63 H new ATOM 0 HZ1 LYS A 127 -13.455 -5.162 -1.091 1.00 2.17 H new ATOM 0 HZ2 LYS A 127 -14.292 -5.884 -2.380 1.00 2.17 H new ATOM 0 HZ3 LYS A 127 -13.546 -6.854 -1.201 1.00 2.17 H new ATOM 2071 N TYR A 128 -14.238 -0.933 -5.455 1.00 0.63 N ATOM 2072 CA TYR A 128 -14.742 0.397 -5.013 1.00 0.69 C ATOM 2073 C TYR A 128 -16.229 0.518 -5.353 1.00 0.80 C ATOM 2074 O TYR A 128 -16.861 1.516 -5.072 1.00 1.01 O ATOM 2075 CB TYR A 128 -13.963 1.501 -5.732 1.00 0.53 C ATOM 2076 CG TYR A 128 -14.571 2.843 -5.405 1.00 0.60 C ATOM 2077 CD1 TYR A 128 -14.197 3.514 -4.234 1.00 0.45 C ATOM 2078 CD2 TYR A 128 -15.507 3.418 -6.273 1.00 0.87 C ATOM 2079 CE1 TYR A 128 -14.760 4.760 -3.931 1.00 0.59 C ATOM 2080 CE2 TYR A 128 -16.071 4.663 -5.969 1.00 1.02 C ATOM 2081 CZ TYR A 128 -15.697 5.334 -4.799 1.00 0.89 C ATOM 2082 OH TYR A 128 -16.252 6.562 -4.501 1.00 1.06 O ATOM 0 H TYR A 128 -13.492 -0.906 -6.150 1.00 0.63 H new ATOM 0 HA TYR A 128 -14.606 0.498 -3.936 1.00 0.69 H new ATOM 0 HB2 TYR A 128 -12.917 1.480 -5.427 1.00 0.53 H new ATOM 0 HB3 TYR A 128 -13.984 1.333 -6.809 1.00 0.53 H new ATOM 0 HD1 TYR A 128 -13.475 3.071 -3.565 1.00 0.45 H new ATOM 0 HD2 TYR A 128 -15.794 2.901 -7.177 1.00 0.87 H new ATOM 0 HE1 TYR A 128 -14.472 5.278 -3.028 1.00 0.59 H new ATOM 0 HE2 TYR A 128 -16.795 5.106 -6.637 1.00 1.02 H new ATOM 0 HH TYR A 128 -16.882 6.816 -5.207 1.00 1.06 H new