USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 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 30 LYS NZ :NH3+ -122:sc= -0.313 (180deg=-3.18!) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 38 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.274 K(o=-0.27,f=-1.3) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.14 F(o=-2.2!,f=-0.14) USER MOD Single : A 42 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-3.8!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0765 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -4:sc= 0.288 USER MOD Single : A 46 THR OG1 : rot -19:sc= 0.018 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.0545 F(o=-0.58,f=-0.054) USER MOD Single : A 52 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-0.97) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= 1.18 (180deg=-0.0255!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 98:sc= 1.3 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0404 (180deg=-0.295) USER MOD Single : A 64 HIS : no HD1:sc= -0.475 K(o=-0.48,f=-2.4) USER MOD Single : A 74 GLN : amide:sc= 0.145 K(o=0.14,f=-0.43) USER MOD Single : A 80 THR OG1 : rot -38:sc= 0.195 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 88 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 89 SER OG : rot 105:sc= 1.26 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 95 MET CE :methyl -161:sc= -0.142 (180deg=-0.552) USER MOD Single : A 96 SER OG : rot -134:sc= 1.3 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 2.52 (180deg=2.32) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 105 HIS : no HE2:sc= -3.83! C(o=-3.8!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 5.424 -6.825 -3.604 1.00 1.65 N ATOM 109 CA VAL A 29 4.228 -6.698 -2.795 1.00 1.29 C ATOM 110 C VAL A 29 4.494 -7.151 -1.354 1.00 1.04 C ATOM 111 O VAL A 29 4.609 -8.347 -1.055 1.00 1.10 O ATOM 112 CB VAL A 29 3.014 -7.468 -3.374 1.00 1.34 C ATOM 113 CG1 VAL A 29 3.403 -8.870 -3.813 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.882 -7.523 -2.342 1.00 1.82 C ATOM 0 HA VAL A 29 3.969 -5.639 -2.804 1.00 1.29 H new ATOM 0 HB VAL A 29 2.664 -6.931 -4.256 1.00 1.34 H new ATOM 0 HG11 VAL A 29 2.528 -9.382 -4.214 1.00 1.70 H new ATOM 0 HG12 VAL A 29 4.173 -8.810 -4.583 1.00 1.70 H new ATOM 0 HG13 VAL A 29 3.788 -9.425 -2.958 1.00 1.70 H new ATOM 0 HG21 VAL A 29 1.035 -8.066 -2.760 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.232 -8.032 -1.444 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.573 -6.509 -2.087 1.00 1.82 H new ATOM 124 N LYS A 30 4.621 -6.181 -0.474 1.00 0.90 N ATOM 125 CA LYS A 30 4.815 -6.456 0.933 1.00 0.79 C ATOM 126 C LYS A 30 3.489 -6.307 1.666 1.00 0.63 C ATOM 127 O LYS A 30 2.829 -5.268 1.542 1.00 0.66 O ATOM 128 CB LYS A 30 5.882 -5.528 1.526 1.00 0.87 C ATOM 129 CG LYS A 30 7.264 -5.709 0.910 1.00 1.26 C ATOM 130 CD LYS A 30 8.242 -4.636 1.372 1.00 2.11 C ATOM 131 CE LYS A 30 7.968 -3.289 0.717 1.00 2.93 C ATOM 132 NZ LYS A 30 6.889 -2.522 1.408 1.00 3.71 N ATOM 0 H LYS A 30 4.593 -5.189 -0.710 1.00 0.90 H new ATOM 0 HA LYS A 30 5.169 -7.480 1.053 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.567 -4.493 1.391 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.947 -5.704 2.600 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.653 -6.692 1.176 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.183 -5.681 -0.177 1.00 1.26 H new ATOM 0 HD2 LYS A 30 8.179 -4.531 2.455 1.00 2.11 H new ATOM 0 HD3 LYS A 30 9.260 -4.950 1.141 1.00 2.11 H new ATOM 0 HE2 LYS A 30 8.884 -2.698 0.714 1.00 2.93 H new ATOM 0 HE3 LYS A 30 7.687 -3.446 -0.324 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 6.126 -2.312 0.733 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 6.510 -3.087 2.195 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 7.278 -1.631 1.778 1.00 3.71 H new ATOM 146 N TYR A 31 3.089 -7.333 2.406 1.00 0.56 N ATOM 147 CA TYR A 31 1.833 -7.278 3.146 1.00 0.49 C ATOM 148 C TYR A 31 2.026 -6.640 4.513 1.00 0.50 C ATOM 149 O TYR A 31 3.046 -6.852 5.168 1.00 0.64 O ATOM 150 CB TYR A 31 1.221 -8.673 3.311 1.00 0.56 C ATOM 151 CG TYR A 31 1.005 -9.407 2.007 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.096 -8.940 1.071 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.704 -10.567 1.716 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.114 -9.604 -0.115 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.502 -11.239 0.528 1.00 0.94 C ATOM 156 CZ TYR A 31 0.589 -10.753 -0.384 1.00 0.89 C ATOM 157 OH TYR A 31 0.383 -11.411 -1.570 1.00 1.06 O ATOM 0 H TYR A 31 3.609 -8.205 2.510 1.00 0.56 H new ATOM 0 HA TYR A 31 1.147 -6.662 2.564 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.871 -9.271 3.949 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.265 -8.581 3.827 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.459 -8.036 1.277 1.00 0.61 H new ATOM 0 HD2 TYR A 31 2.418 -10.951 2.430 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.828 -9.224 -0.831 1.00 0.75 H new ATOM 0 HE2 TYR A 31 2.056 -12.141 0.314 1.00 0.94 H new ATOM 0 HH TYR A 31 0.957 -12.204 -1.608 1.00 1.06 H new ATOM 167 N TYR A 32 1.065 -5.839 4.926 1.00 0.43 N ATOM 168 CA TYR A 32 1.076 -5.264 6.260 1.00 0.46 C ATOM 169 C TYR A 32 -0.056 -5.883 7.066 1.00 0.53 C ATOM 170 O TYR A 32 -0.494 -6.988 6.752 1.00 0.89 O ATOM 171 CB TYR A 32 0.957 -3.727 6.179 1.00 0.46 C ATOM 172 CG TYR A 32 2.146 -3.060 5.524 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.259 -2.982 4.144 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.160 -2.511 6.299 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.345 -2.377 3.551 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.250 -1.904 5.712 1.00 1.20 C ATOM 177 CZ TYR A 32 4.336 -1.841 4.340 1.00 0.81 C ATOM 178 OH TYR A 32 5.428 -1.248 3.756 1.00 0.96 O ATOM 0 H TYR A 32 0.263 -5.569 4.356 1.00 0.43 H new ATOM 0 HA TYR A 32 2.019 -5.483 6.761 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.055 -3.470 5.623 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.836 -3.327 7.186 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.482 -3.403 3.523 1.00 0.98 H new ATOM 0 HD2 TYR A 32 3.094 -2.560 7.376 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.418 -2.324 2.475 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.032 -1.481 6.325 1.00 1.20 H new ATOM 0 HH TYR A 32 6.034 -0.920 4.453 1.00 0.96 H new ATOM 188 N THR A 33 -0.500 -5.216 8.119 1.00 0.48 N ATOM 189 CA THR A 33 -1.673 -5.653 8.842 1.00 0.57 C ATOM 190 C THR A 33 -2.635 -4.486 9.032 1.00 0.56 C ATOM 191 O THR A 33 -2.194 -3.350 9.204 1.00 0.60 O ATOM 192 CB THR A 33 -1.312 -6.295 10.193 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.113 -5.709 10.727 1.00 0.77 O ATOM 194 CG2 THR A 33 -1.118 -7.797 10.041 1.00 0.82 C ATOM 0 H THR A 33 -0.063 -4.371 8.488 1.00 0.48 H new ATOM 0 HA THR A 33 -2.164 -6.423 8.247 1.00 0.57 H new ATOM 0 HB THR A 33 -2.137 -6.111 10.881 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.101 -6.128 11.587 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.863 -8.231 11.008 1.00 0.82 H new ATOM 0 HG22 THR A 33 -2.040 -8.247 9.673 1.00 0.82 H new ATOM 0 HG23 THR A 33 -0.312 -7.990 9.333 1.00 0.82 H new ATOM 202 N LEU A 34 -3.932 -4.753 8.960 1.00 0.60 N ATOM 203 CA LEU A 34 -4.935 -3.689 9.021 1.00 0.64 C ATOM 204 C LEU A 34 -4.763 -2.861 10.300 1.00 0.58 C ATOM 205 O LEU A 34 -4.684 -1.632 10.259 1.00 0.59 O ATOM 206 CB LEU A 34 -6.358 -4.275 8.919 1.00 0.86 C ATOM 207 CG LEU A 34 -7.493 -3.249 8.986 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.419 -2.285 7.808 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.845 -3.949 9.016 1.00 1.46 C ATOM 0 H LEU A 34 -4.317 -5.692 8.860 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.788 -3.024 8.170 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.441 -4.824 7.981 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.495 -4.997 9.724 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.380 -2.675 9.906 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.234 -1.565 7.875 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.466 -1.757 7.829 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.504 -2.843 6.875 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.639 -3.204 9.064 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.964 -4.549 8.114 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.901 -4.595 9.892 1.00 1.46 H new ATOM 221 N GLU A 35 -4.641 -3.589 11.422 1.00 0.65 N ATOM 222 CA GLU A 35 -4.539 -3.018 12.771 1.00 0.77 C ATOM 223 C GLU A 35 -3.366 -2.060 12.874 1.00 0.73 C ATOM 224 O GLU A 35 -3.357 -1.131 13.677 1.00 0.88 O ATOM 225 CB GLU A 35 -4.339 -4.136 13.811 1.00 0.94 C ATOM 226 CG GLU A 35 -5.485 -5.132 13.913 1.00 1.41 C ATOM 227 CD GLU A 35 -5.516 -6.131 12.777 1.00 1.91 C ATOM 228 OE1 GLU A 35 -4.774 -7.131 12.846 1.00 2.34 O ATOM 229 OE2 GLU A 35 -6.285 -5.917 11.817 1.00 2.56 O ATOM 0 H GLU A 35 -4.610 -4.609 11.415 1.00 0.65 H new ATOM 0 HA GLU A 35 -5.466 -2.480 12.966 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -3.426 -4.679 13.567 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -4.187 -3.679 14.789 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -5.406 -5.670 14.858 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -6.429 -4.587 13.934 1.00 1.41 H new ATOM 236 N GLU A 36 -2.372 -2.348 12.058 1.00 0.63 N ATOM 237 CA GLU A 36 -1.066 -1.727 12.125 1.00 0.74 C ATOM 238 C GLU A 36 -1.042 -0.381 11.422 1.00 0.67 C ATOM 239 O GLU A 36 -0.258 0.506 11.769 1.00 0.82 O ATOM 240 CB GLU A 36 -0.073 -2.709 11.502 1.00 0.85 C ATOM 241 CG GLU A 36 0.886 -2.106 10.504 1.00 0.95 C ATOM 242 CD GLU A 36 1.972 -3.080 10.113 1.00 1.24 C ATOM 243 OE1 GLU A 36 1.663 -4.066 9.412 1.00 1.76 O ATOM 244 OE2 GLU A 36 3.132 -2.886 10.540 1.00 1.67 O ATOM 0 H GLU A 36 -2.453 -3.038 11.311 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.798 -1.518 13.161 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.504 -3.174 12.301 1.00 0.85 H new ATOM 0 HB3 GLU A 36 -0.633 -3.504 11.009 1.00 0.85 H new ATOM 0 HG2 GLU A 36 0.338 -1.796 9.614 1.00 0.95 H new ATOM 0 HG3 GLU A 36 1.337 -1.209 10.929 1.00 0.95 H new ATOM 251 N ILE A 37 -1.902 -0.250 10.422 1.00 0.52 N ATOM 252 CA ILE A 37 -1.998 0.959 9.626 1.00 0.50 C ATOM 253 C ILE A 37 -2.752 2.029 10.389 1.00 0.53 C ATOM 254 O ILE A 37 -2.591 3.221 10.134 1.00 0.72 O ATOM 255 CB ILE A 37 -2.686 0.662 8.277 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.883 -0.409 7.528 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.811 1.922 7.428 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.565 -0.931 6.289 1.00 0.72 C ATOM 0 H ILE A 37 -2.553 -0.983 10.141 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.992 1.326 9.422 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.695 0.297 8.471 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.914 0.006 7.250 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.691 -1.243 8.203 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.300 1.678 6.485 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.404 2.664 7.963 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.819 2.326 7.229 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.934 -1.684 5.816 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.521 -1.378 6.561 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.733 -0.109 5.593 1.00 0.72 H new ATOM 270 N GLN A 38 -3.550 1.586 11.348 1.00 0.48 N ATOM 271 CA GLN A 38 -4.242 2.487 12.253 1.00 0.52 C ATOM 272 C GLN A 38 -3.250 3.282 13.087 1.00 0.54 C ATOM 273 O GLN A 38 -3.507 4.420 13.459 1.00 0.64 O ATOM 274 CB GLN A 38 -5.182 1.688 13.156 1.00 0.56 C ATOM 275 CG GLN A 38 -6.477 1.318 12.462 1.00 0.78 C ATOM 276 CD GLN A 38 -7.428 2.499 12.344 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.288 2.696 13.203 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.268 3.309 11.298 1.00 0.74 N ATOM 0 H GLN A 38 -3.735 0.598 11.519 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.828 3.194 11.665 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.678 0.780 13.487 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.406 2.271 14.049 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.256 0.932 11.467 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.966 0.515 13.014 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.544 3.113 10.607 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -7.870 4.125 11.189 1.00 0.74 H new ATOM 287 N LYS A 39 -2.101 2.680 13.362 1.00 0.54 N ATOM 288 CA LYS A 39 -1.110 3.286 14.227 1.00 0.62 C ATOM 289 C LYS A 39 -0.283 4.286 13.435 1.00 0.58 C ATOM 290 O LYS A 39 0.685 4.861 13.927 1.00 0.66 O ATOM 291 CB LYS A 39 -0.223 2.193 14.827 1.00 0.77 C ATOM 292 CG LYS A 39 0.545 2.652 16.053 1.00 1.28 C ATOM 293 CD LYS A 39 1.187 1.488 16.781 1.00 1.57 C ATOM 294 CE LYS A 39 2.219 0.792 15.914 1.00 2.08 C ATOM 295 NZ LYS A 39 2.827 -0.376 16.607 1.00 2.52 N ATOM 0 H LYS A 39 -1.835 1.767 12.994 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.602 3.818 15.041 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.843 1.337 15.094 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.484 1.851 14.070 1.00 0.77 H new ATOM 0 HG2 LYS A 39 1.315 3.364 15.755 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.130 3.177 16.730 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.660 1.846 17.696 1.00 1.57 H new ATOM 0 HD3 LYS A 39 0.418 0.774 17.078 1.00 1.57 H new ATOM 0 HE2 LYS A 39 1.751 0.461 14.987 1.00 2.08 H new ATOM 0 HE3 LYS A 39 3.001 1.500 15.641 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 3.527 -0.825 15.982 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 3.296 -0.057 17.479 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 2.084 -1.064 16.845 1.00 2.52 H new ATOM 309 N HIS A 40 -0.680 4.472 12.194 1.00 0.53 N ATOM 310 CA HIS A 40 0.034 5.316 11.266 1.00 0.56 C ATOM 311 C HIS A 40 -0.892 6.392 10.702 1.00 0.65 C ATOM 312 O HIS A 40 -0.692 6.875 9.596 1.00 0.93 O ATOM 313 CB HIS A 40 0.611 4.449 10.151 1.00 0.56 C ATOM 314 CG HIS A 40 1.725 3.564 10.631 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.768 2.200 10.435 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.851 3.878 11.307 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.881 1.720 10.970 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.558 2.717 11.503 1.00 1.80 N ATOM 0 H HIS A 40 -1.514 4.037 11.800 1.00 0.53 H new ATOM 0 HA HIS A 40 0.850 5.822 11.782 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.182 3.833 9.727 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.979 5.090 9.350 1.00 0.56 H new ATOM 0 HD2 HIS A 40 3.143 4.865 11.635 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.183 0.683 10.969 1.00 1.59 H new ATOM 0 HE2 HIS A 40 4.456 2.640 11.981 1.00 1.80 H new ATOM 327 N ASN A 41 -1.926 6.714 11.475 1.00 0.56 N ATOM 328 CA ASN A 41 -2.919 7.725 11.110 1.00 0.64 C ATOM 329 C ASN A 41 -2.658 9.026 11.876 1.00 0.82 C ATOM 330 O ASN A 41 -3.545 9.866 12.034 1.00 1.20 O ATOM 331 CB ASN A 41 -4.335 7.194 11.437 1.00 0.69 C ATOM 332 CG ASN A 41 -4.759 7.329 12.904 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.830 7.153 13.843 1.00 1.76 O flip ATOM 334 ND2 ASN A 41 -5.930 7.555 13.190 1.00 1.74 N flip ATOM 0 H ASN A 41 -2.101 6.278 12.380 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.845 7.931 10.042 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.057 7.724 10.816 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.385 6.142 11.156 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.620 7.686 12.450 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.214 7.612 14.168 1.00 1.74 H new ATOM 341 N HIS A 42 -1.426 9.187 12.345 1.00 0.73 N ATOM 342 CA HIS A 42 -1.130 10.196 13.360 1.00 0.97 C ATOM 343 C HIS A 42 0.085 11.041 12.986 1.00 1.06 C ATOM 344 O HIS A 42 0.605 10.922 11.891 1.00 1.54 O ATOM 345 CB HIS A 42 -0.905 9.522 14.722 1.00 1.05 C ATOM 346 CG HIS A 42 0.303 8.611 14.795 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.247 8.482 13.783 1.00 0.81 N ATOM 348 CD2 HIS A 42 0.737 7.817 15.796 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.199 7.659 14.177 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.918 7.245 15.392 1.00 1.08 N ATOM 0 H HIS A 42 -0.621 8.638 12.043 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.989 10.864 13.421 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.803 10.297 15.481 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.793 8.943 14.975 1.00 1.05 H new ATOM 0 HD2 HIS A 42 0.244 7.660 16.744 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.065 7.373 13.598 1.00 0.87 H new ATOM 0 HE2 HIS A 42 2.485 6.603 15.945 1.00 1.08 H new ATOM 359 N SER A 43 0.552 11.837 13.952 1.00 1.01 N ATOM 360 CA SER A 43 1.646 12.788 13.753 1.00 1.12 C ATOM 361 C SER A 43 2.874 12.151 13.087 1.00 0.97 C ATOM 362 O SER A 43 3.270 12.518 11.988 1.00 1.05 O ATOM 363 CB SER A 43 2.025 13.375 15.110 1.00 1.34 C ATOM 364 OG SER A 43 2.246 12.340 16.059 1.00 2.00 O ATOM 0 H SER A 43 0.178 11.839 14.901 1.00 1.01 H new ATOM 0 HA SER A 43 1.301 13.568 13.075 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.924 13.983 15.011 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.232 14.035 15.461 1.00 1.34 H new ATOM 0 HG SER A 43 2.490 12.734 16.922 1.00 2.00 H new ATOM 370 N LYS A 44 3.458 11.181 13.796 1.00 0.89 N ATOM 371 CA LYS A 44 4.765 10.595 13.447 1.00 0.89 C ATOM 372 C LYS A 44 4.795 9.962 12.062 1.00 0.77 C ATOM 373 O LYS A 44 5.843 9.904 11.428 1.00 0.94 O ATOM 374 CB LYS A 44 5.156 9.562 14.493 1.00 1.01 C ATOM 375 CG LYS A 44 5.554 10.167 15.835 1.00 1.53 C ATOM 376 CD LYS A 44 6.870 10.938 15.767 1.00 2.16 C ATOM 377 CE LYS A 44 6.679 12.350 15.218 1.00 2.63 C ATOM 378 NZ LYS A 44 7.970 13.046 14.981 1.00 3.26 N ATOM 0 H LYS A 44 3.039 10.775 14.633 1.00 0.89 H new ATOM 0 HA LYS A 44 5.483 11.415 13.429 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.320 8.879 14.646 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.987 8.969 14.112 1.00 1.01 H new ATOM 0 HG2 LYS A 44 4.763 10.835 16.176 1.00 1.53 H new ATOM 0 HG3 LYS A 44 5.641 9.372 16.576 1.00 1.53 H new ATOM 0 HD2 LYS A 44 7.310 10.993 16.763 1.00 2.16 H new ATOM 0 HD3 LYS A 44 7.575 10.396 15.137 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.119 12.301 14.284 1.00 2.63 H new ATOM 0 HE3 LYS A 44 6.080 12.931 15.919 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 7.787 14.000 14.609 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 8.495 13.118 15.876 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 8.533 12.508 14.292 1.00 3.26 H new ATOM 392 N SER A 45 3.653 9.473 11.611 1.00 0.63 N ATOM 393 CA SER A 45 3.531 8.875 10.280 1.00 0.62 C ATOM 394 C SER A 45 2.093 8.967 9.800 1.00 0.65 C ATOM 395 O SER A 45 1.174 8.750 10.592 1.00 1.05 O ATOM 396 CB SER A 45 3.978 7.407 10.268 1.00 0.65 C ATOM 397 OG SER A 45 5.314 7.269 10.705 1.00 1.31 O ATOM 0 H SER A 45 2.786 9.476 12.148 1.00 0.63 H new ATOM 0 HA SER A 45 4.186 9.433 9.611 1.00 0.62 H new ATOM 0 HB2 SER A 45 3.321 6.820 10.911 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.880 7.004 9.260 1.00 0.65 H new ATOM 0 HG SER A 45 5.700 8.156 10.863 1.00 1.31 H new ATOM 403 N THR A 46 1.892 9.242 8.516 1.00 0.43 N ATOM 404 CA THR A 46 0.551 9.360 7.970 1.00 0.42 C ATOM 405 C THR A 46 0.374 8.479 6.736 1.00 0.39 C ATOM 406 O THR A 46 0.815 8.832 5.648 1.00 0.47 O ATOM 407 CB THR A 46 0.220 10.829 7.615 1.00 0.51 C ATOM 408 OG1 THR A 46 0.429 11.665 8.764 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.228 10.974 7.158 1.00 0.64 C ATOM 0 H THR A 46 2.640 9.387 7.838 1.00 0.43 H new ATOM 0 HA THR A 46 -0.140 9.021 8.741 1.00 0.42 H new ATOM 0 HB THR A 46 0.878 11.133 6.801 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.426 11.114 9.574 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.430 12.017 6.916 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.394 10.357 6.275 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.896 10.651 7.957 1.00 0.64 H new ATOM 417 N TRP A 47 -0.246 7.319 6.922 1.00 0.37 N ATOM 418 CA TRP A 47 -0.571 6.439 5.811 1.00 0.36 C ATOM 419 C TRP A 47 -2.060 6.523 5.490 1.00 0.37 C ATOM 420 O TRP A 47 -2.822 7.164 6.208 1.00 0.50 O ATOM 421 CB TRP A 47 -0.234 4.980 6.116 1.00 0.37 C ATOM 422 CG TRP A 47 1.222 4.669 6.262 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.281 5.491 6.012 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.772 3.421 6.691 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.459 4.827 6.262 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.169 3.553 6.682 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.209 2.200 7.085 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.012 2.510 7.054 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.045 1.174 7.453 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.433 1.333 7.434 1.00 0.47 C ATOM 0 H TRP A 47 -0.533 6.967 7.835 1.00 0.37 H new ATOM 0 HA TRP A 47 0.028 6.771 4.963 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.742 4.693 7.037 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.642 4.358 5.320 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.206 6.512 5.669 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.395 5.217 6.153 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.137 2.068 7.099 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.086 2.627 7.043 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.623 0.229 7.762 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.063 0.506 7.727 1.00 0.47 H new ATOM 441 N LEU A 48 -2.469 5.862 4.424 1.00 0.31 N ATOM 442 CA LEU A 48 -3.887 5.674 4.133 1.00 0.31 C ATOM 443 C LEU A 48 -4.077 4.437 3.270 1.00 0.28 C ATOM 444 O LEU A 48 -3.108 3.788 2.890 1.00 0.29 O ATOM 445 CB LEU A 48 -4.519 6.892 3.420 1.00 0.37 C ATOM 446 CG LEU A 48 -4.196 7.035 1.925 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.195 7.976 1.257 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.775 7.537 1.711 1.00 0.55 C ATOM 0 H LEU A 48 -1.840 5.443 3.739 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.393 5.555 5.091 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.601 6.834 3.534 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.192 7.798 3.931 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.275 6.048 1.468 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.955 8.069 0.198 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.202 7.575 1.367 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.142 8.957 1.728 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.578 7.627 0.643 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.658 8.511 2.185 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.070 6.832 2.152 1.00 0.55 H new ATOM 460 N ILE A 49 -5.321 4.117 2.972 1.00 0.34 N ATOM 461 CA ILE A 49 -5.651 3.038 2.046 1.00 0.36 C ATOM 462 C ILE A 49 -6.662 3.570 1.035 1.00 0.42 C ATOM 463 O ILE A 49 -7.474 4.422 1.378 1.00 0.65 O ATOM 464 CB ILE A 49 -6.241 1.815 2.797 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.318 1.420 3.946 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.433 0.630 1.859 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.897 0.353 4.849 1.00 0.46 C ATOM 0 H ILE A 49 -6.134 4.594 3.361 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.745 2.705 1.540 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.217 2.097 3.191 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.373 1.063 3.536 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.093 2.305 4.541 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.848 -0.211 2.415 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.117 0.908 1.057 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.472 0.344 1.432 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.186 0.123 5.643 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.827 0.714 5.288 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.096 -0.547 4.267 1.00 0.46 H new ATOM 479 N LEU A 50 -6.583 3.132 -0.214 1.00 0.41 N ATOM 480 CA LEU A 50 -7.516 3.618 -1.228 1.00 0.53 C ATOM 481 C LEU A 50 -8.396 2.520 -1.791 1.00 0.78 C ATOM 482 O LEU A 50 -9.364 2.809 -2.486 1.00 1.77 O ATOM 483 CB LEU A 50 -6.765 4.307 -2.364 1.00 0.49 C ATOM 484 CG LEU A 50 -6.554 5.804 -2.171 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.842 6.397 -3.377 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.887 6.500 -1.939 1.00 0.99 C ATOM 0 H LEU A 50 -5.898 2.454 -0.548 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.167 4.335 -0.728 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.793 3.829 -2.481 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.313 4.148 -3.293 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.928 5.959 -1.292 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.698 7.467 -3.225 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.872 5.914 -3.501 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.444 6.235 -4.271 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.721 7.569 -1.803 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.535 6.341 -2.801 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.361 6.090 -1.047 1.00 0.99 H new ATOM 498 N HIS A 51 -8.073 1.270 -1.494 1.00 0.67 N ATOM 499 CA HIS A 51 -8.766 0.144 -2.116 1.00 0.73 C ATOM 500 C HIS A 51 -8.393 -1.165 -1.440 1.00 0.82 C ATOM 501 O HIS A 51 -9.239 -2.018 -1.217 1.00 1.80 O ATOM 502 CB HIS A 51 -8.420 0.054 -3.608 1.00 0.79 C ATOM 503 CG HIS A 51 -9.569 0.389 -4.525 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.006 1.582 -5.005 1.00 1.87 N flip ATOM 505 CD2 HIS A 51 -10.416 -0.565 -5.058 1.00 1.56 C flip ATOM 506 CE1 HIS A 51 -11.095 1.334 -5.805 1.00 2.45 C flip ATOM 507 NE2 HIS A 51 -11.317 0.030 -5.821 1.00 2.30 N flip ATOM 0 H HIS A 51 -7.342 1.008 -0.832 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.837 0.313 -2.001 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.591 0.729 -3.820 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -8.074 -0.955 -3.830 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -9.599 2.496 -4.807 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -10.352 -1.628 -4.879 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -11.673 2.079 -6.332 1.00 2.45 H new ATOM 516 N HIS A 52 -7.100 -1.318 -1.168 1.00 0.46 N ATOM 517 CA HIS A 52 -6.527 -2.544 -0.590 1.00 0.42 C ATOM 518 C HIS A 52 -5.039 -2.337 -0.370 1.00 0.43 C ATOM 519 O HIS A 52 -4.419 -2.983 0.472 1.00 0.81 O ATOM 520 CB HIS A 52 -6.744 -3.758 -1.503 1.00 0.58 C ATOM 521 CG HIS A 52 -7.976 -4.539 -1.163 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.766 -5.156 -2.106 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.546 -4.798 0.034 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.777 -5.752 -1.500 1.00 2.34 C ATOM 525 NE2 HIS A 52 -9.668 -5.552 -0.198 1.00 2.36 N ATOM 0 H HIS A 52 -6.407 -0.590 -1.342 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.031 -2.744 0.356 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.810 -3.420 -2.537 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.876 -4.414 -1.437 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -8.184 -4.471 0.998 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -10.563 -6.310 -1.988 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -10.310 -5.900 0.514 1.00 2.36 H new ATOM 534 N LYS A 53 -4.475 -1.438 -1.171 1.00 0.33 N ATOM 535 CA LYS A 53 -3.083 -1.062 -1.053 1.00 0.36 C ATOM 536 C LYS A 53 -2.929 0.115 -0.105 1.00 0.29 C ATOM 537 O LYS A 53 -3.779 1.008 -0.085 1.00 0.32 O ATOM 538 CB LYS A 53 -2.521 -0.695 -2.425 1.00 0.45 C ATOM 539 CG LYS A 53 -2.629 -1.814 -3.441 1.00 0.66 C ATOM 540 CD LYS A 53 -2.236 -1.350 -4.837 1.00 0.95 C ATOM 541 CE LYS A 53 -2.553 -2.403 -5.890 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.857 -3.693 -5.642 1.00 1.76 N ATOM 0 H LYS A 53 -4.975 -0.954 -1.917 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.529 -1.911 -0.653 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.049 0.180 -2.803 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.474 -0.413 -2.316 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -1.988 -2.642 -3.139 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.651 -2.192 -3.458 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -2.763 -0.426 -5.076 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.170 -1.123 -4.859 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -3.629 -2.575 -5.913 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -2.269 -2.025 -6.872 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -1.778 -4.222 -6.534 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -0.906 -3.507 -5.265 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -2.399 -4.253 -4.954 1.00 1.76 H new ATOM 556 N VAL A 54 -1.841 0.116 0.657 1.00 0.27 N ATOM 557 CA VAL A 54 -1.556 1.186 1.599 1.00 0.25 C ATOM 558 C VAL A 54 -0.644 2.217 0.946 1.00 0.23 C ATOM 559 O VAL A 54 0.355 1.870 0.307 1.00 0.25 O ATOM 560 CB VAL A 54 -0.914 0.640 2.905 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.341 -0.162 2.605 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.606 1.766 3.879 1.00 0.32 C ATOM 0 H VAL A 54 -1.137 -0.622 0.638 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.499 1.660 1.872 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.640 -0.025 3.373 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.768 -0.531 3.537 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.089 -1.005 1.962 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.068 0.475 2.100 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.158 1.353 4.783 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.089 2.467 3.417 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.528 2.287 4.137 1.00 0.32 H new ATOM 572 N TYR A 55 -1.018 3.481 1.078 1.00 0.23 N ATOM 573 CA TYR A 55 -0.228 4.576 0.533 1.00 0.25 C ATOM 574 C TYR A 55 0.383 5.363 1.690 1.00 0.27 C ATOM 575 O TYR A 55 -0.086 5.254 2.825 1.00 0.35 O ATOM 576 CB TYR A 55 -1.076 5.518 -0.347 1.00 0.27 C ATOM 577 CG TYR A 55 -1.744 4.859 -1.539 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.640 3.809 -1.380 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.506 5.323 -2.826 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.266 3.235 -2.471 1.00 0.77 C ATOM 581 CE2 TYR A 55 -2.135 4.760 -3.916 1.00 0.85 C ATOM 582 CZ TYR A 55 -3.016 3.716 -3.735 1.00 0.42 C ATOM 583 OH TYR A 55 -3.653 3.149 -4.818 1.00 0.49 O ATOM 0 H TYR A 55 -1.867 3.775 1.560 1.00 0.23 H new ATOM 0 HA TYR A 55 0.552 4.154 -0.100 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.846 5.975 0.275 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.438 6.325 -0.708 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.851 3.435 -0.389 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.816 6.140 -2.976 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.950 2.411 -2.331 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.938 5.136 -4.909 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.369 3.603 -5.639 1.00 0.49 H new ATOM 593 N ASP A 56 1.407 6.153 1.411 1.00 0.34 N ATOM 594 CA ASP A 56 2.032 6.985 2.438 1.00 0.38 C ATOM 595 C ASP A 56 2.094 8.438 1.992 1.00 0.38 C ATOM 596 O ASP A 56 2.273 8.720 0.809 1.00 0.48 O ATOM 597 CB ASP A 56 3.440 6.463 2.767 1.00 0.47 C ATOM 598 CG ASP A 56 4.261 7.435 3.603 1.00 0.63 C ATOM 599 OD1 ASP A 56 3.767 7.878 4.664 1.00 0.94 O ATOM 600 OD2 ASP A 56 5.400 7.768 3.212 1.00 1.32 O ATOM 0 H ASP A 56 1.826 6.239 0.485 1.00 0.34 H new ATOM 0 HA ASP A 56 1.422 6.931 3.339 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.354 5.517 3.302 1.00 0.47 H new ATOM 0 HB3 ASP A 56 3.970 6.256 1.837 1.00 0.47 H new ATOM 605 N LEU A 57 1.918 9.361 2.929 1.00 0.37 N ATOM 606 CA LEU A 57 2.122 10.767 2.638 1.00 0.39 C ATOM 607 C LEU A 57 3.328 11.255 3.411 1.00 0.51 C ATOM 608 O LEU A 57 4.399 11.440 2.830 1.00 1.12 O ATOM 609 CB LEU A 57 0.902 11.646 2.970 1.00 0.45 C ATOM 610 CG LEU A 57 -0.430 11.255 2.323 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.255 10.977 0.838 1.00 1.35 C ATOM 612 CD2 LEU A 57 -1.053 10.066 3.039 1.00 1.27 C ATOM 0 H LEU A 57 1.637 9.160 3.889 1.00 0.37 H new ATOM 0 HA LEU A 57 2.280 10.855 1.563 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.767 11.645 4.052 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.133 12.671 2.679 1.00 0.45 H new ATOM 0 HG LEU A 57 -1.114 12.098 2.422 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -1.216 10.702 0.404 1.00 1.35 H new ATOM 0 HD12 LEU A 57 0.124 11.871 0.343 1.00 1.35 H new ATOM 0 HD13 LEU A 57 0.452 10.159 0.702 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.998 9.808 2.561 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.375 9.214 2.987 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.233 10.323 4.083 1.00 1.27 H new ATOM 624 N THR A 58 3.136 11.400 4.733 1.00 0.54 N ATOM 625 CA THR A 58 4.146 11.915 5.668 1.00 0.56 C ATOM 626 C THR A 58 4.764 13.235 5.195 1.00 0.66 C ATOM 627 O THR A 58 4.456 14.289 5.743 1.00 1.15 O ATOM 628 CB THR A 58 5.233 10.859 5.961 1.00 0.65 C ATOM 629 OG1 THR A 58 4.614 9.637 6.389 1.00 1.43 O ATOM 630 CG2 THR A 58 6.192 11.344 7.039 1.00 1.12 C ATOM 0 H THR A 58 2.256 11.157 5.189 1.00 0.54 H new ATOM 0 HA THR A 58 3.626 12.129 6.602 1.00 0.56 H new ATOM 0 HB THR A 58 5.800 10.689 5.045 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.550 9.020 5.631 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.947 10.580 7.225 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.678 12.262 6.707 1.00 1.12 H new ATOM 0 HG23 THR A 58 5.639 11.538 7.958 1.00 1.12 H new ATOM 638 N LYS A 59 5.609 13.183 4.186 1.00 0.57 N ATOM 639 CA LYS A 59 6.181 14.387 3.607 1.00 0.58 C ATOM 640 C LYS A 59 5.141 15.125 2.771 1.00 0.48 C ATOM 641 O LYS A 59 5.097 16.344 2.732 1.00 0.54 O ATOM 642 CB LYS A 59 7.370 14.028 2.732 1.00 0.69 C ATOM 643 CG LYS A 59 8.687 13.947 3.478 1.00 1.37 C ATOM 644 CD LYS A 59 9.815 13.546 2.537 1.00 1.96 C ATOM 645 CE LYS A 59 11.166 13.548 3.233 1.00 2.58 C ATOM 646 NZ LYS A 59 11.526 14.897 3.753 1.00 3.59 N ATOM 0 H LYS A 59 5.918 12.316 3.746 1.00 0.57 H new ATOM 0 HA LYS A 59 6.509 15.037 4.419 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.177 13.069 2.252 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.460 14.769 1.938 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.912 14.911 3.934 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.608 13.222 4.288 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.616 12.553 2.135 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.842 14.232 1.691 1.00 1.96 H new ATOM 0 HE2 LYS A 59 11.150 12.835 4.057 1.00 2.58 H new ATOM 0 HE3 LYS A 59 11.933 13.212 2.535 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 12.539 14.920 3.988 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 11.323 15.614 3.028 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 10.968 15.100 4.607 1.00 3.59 H new ATOM 660 N PHE A 60 4.295 14.327 2.105 1.00 0.40 N ATOM 661 CA PHE A 60 3.364 14.829 1.089 1.00 0.35 C ATOM 662 C PHE A 60 2.299 15.769 1.665 1.00 0.36 C ATOM 663 O PHE A 60 1.548 16.384 0.910 1.00 0.40 O ATOM 664 CB PHE A 60 2.717 13.633 0.358 1.00 0.37 C ATOM 665 CG PHE A 60 2.032 14.009 -0.919 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.756 14.570 -1.959 1.00 1.62 C ATOM 667 CD2 PHE A 60 0.670 13.821 -1.070 1.00 1.40 C ATOM 668 CE1 PHE A 60 2.131 14.934 -3.138 1.00 2.01 C ATOM 669 CE2 PHE A 60 0.040 14.177 -2.241 1.00 1.72 C ATOM 670 CZ PHE A 60 0.758 14.665 -3.293 1.00 1.72 C ATOM 0 H PHE A 60 4.238 13.320 2.256 1.00 0.40 H new ATOM 0 HA PHE A 60 3.935 15.429 0.380 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.486 12.891 0.143 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.994 13.160 1.023 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.819 14.725 -1.848 1.00 1.62 H new ATOM 0 HD2 PHE A 60 0.096 13.391 -0.262 1.00 1.40 H new ATOM 0 HE1 PHE A 60 2.688 15.417 -3.927 1.00 2.01 H new ATOM 0 HE2 PHE A 60 -1.031 14.069 -2.327 1.00 1.72 H new ATOM 0 HZ PHE A 60 0.275 14.844 -4.242 1.00 1.72 H new ATOM 680 N LEU A 61 2.229 15.843 2.987 1.00 0.38 N ATOM 681 CA LEU A 61 1.156 16.566 3.675 1.00 0.44 C ATOM 682 C LEU A 61 0.852 17.927 3.030 1.00 0.47 C ATOM 683 O LEU A 61 -0.271 18.167 2.563 1.00 0.60 O ATOM 684 CB LEU A 61 1.540 16.758 5.139 1.00 0.50 C ATOM 685 CG LEU A 61 1.616 15.464 5.965 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.940 15.771 7.415 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.331 14.665 5.859 1.00 0.61 C ATOM 0 H LEU A 61 2.907 15.409 3.613 1.00 0.38 H new ATOM 0 HA LEU A 61 0.249 15.968 3.594 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.508 17.257 5.183 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.816 17.427 5.604 1.00 0.50 H new ATOM 0 HG LEU A 61 2.421 14.854 5.554 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.989 14.841 7.982 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.901 16.282 7.473 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.163 16.411 7.834 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.418 13.756 6.454 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.501 15.264 6.229 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.152 14.400 4.817 1.00 0.61 H new ATOM 699 N GLU A 62 1.889 18.781 2.983 1.00 0.46 N ATOM 700 CA GLU A 62 1.767 20.178 2.545 1.00 0.55 C ATOM 701 C GLU A 62 1.804 20.293 1.026 1.00 0.53 C ATOM 702 O GLU A 62 1.591 21.368 0.462 1.00 0.72 O ATOM 703 CB GLU A 62 2.916 21.037 3.106 1.00 0.68 C ATOM 704 CG GLU A 62 3.881 20.318 4.044 1.00 0.99 C ATOM 705 CD GLU A 62 4.983 21.244 4.520 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.635 21.894 3.677 1.00 1.60 O ATOM 707 OE2 GLU A 62 5.208 21.309 5.743 1.00 1.62 O ATOM 0 H GLU A 62 2.838 18.518 3.249 1.00 0.46 H new ATOM 0 HA GLU A 62 0.808 20.535 2.921 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.485 21.441 2.269 1.00 0.68 H new ATOM 0 HB3 GLU A 62 2.485 21.885 3.638 1.00 0.68 H new ATOM 0 HG2 GLU A 62 3.334 19.929 4.903 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.319 19.462 3.531 1.00 0.99 H new ATOM 714 N GLU A 63 2.133 19.181 0.378 1.00 0.42 N ATOM 715 CA GLU A 63 2.435 19.163 -1.043 1.00 0.48 C ATOM 716 C GLU A 63 1.236 18.680 -1.862 1.00 0.46 C ATOM 717 O GLU A 63 1.261 18.724 -3.092 1.00 0.66 O ATOM 718 CB GLU A 63 3.661 18.272 -1.276 1.00 0.59 C ATOM 719 CG GLU A 63 4.445 18.646 -2.523 1.00 1.05 C ATOM 720 CD GLU A 63 5.803 17.986 -2.574 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.883 16.819 -3.020 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.795 18.624 -2.162 1.00 1.83 O ATOM 0 H GLU A 63 2.197 18.267 0.826 1.00 0.42 H new ATOM 0 HA GLU A 63 2.655 20.177 -1.377 1.00 0.48 H new ATOM 0 HB2 GLU A 63 4.318 18.336 -0.409 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.338 17.234 -1.356 1.00 0.59 H new ATOM 0 HG2 GLU A 63 3.873 18.361 -3.406 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.569 19.728 -2.559 1.00 1.05 H new ATOM 729 N HIS A 64 0.191 18.224 -1.166 1.00 0.33 N ATOM 730 CA HIS A 64 -1.057 17.817 -1.816 1.00 0.32 C ATOM 731 C HIS A 64 -1.903 19.061 -2.121 1.00 0.42 C ATOM 732 O HIS A 64 -2.195 19.855 -1.220 1.00 0.52 O ATOM 733 CB HIS A 64 -1.818 16.829 -0.919 1.00 0.38 C ATOM 734 CG HIS A 64 -3.155 16.299 -1.402 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.373 16.679 -0.869 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.406 15.355 -2.374 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.339 15.980 -1.499 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.783 15.176 -2.415 1.00 0.36 N ATOM 0 H HIS A 64 0.185 18.127 -0.151 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.836 17.312 -2.756 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -1.167 15.973 -0.740 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.981 17.313 0.044 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.673 14.851 -2.986 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.397 16.057 -1.296 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -5.285 14.541 -3.036 1.00 0.36 H new ATOM 746 N PRO A 65 -2.284 19.256 -3.403 1.00 0.51 N ATOM 747 CA PRO A 65 -2.965 20.480 -3.859 1.00 0.73 C ATOM 748 C PRO A 65 -4.349 20.705 -3.244 1.00 0.90 C ATOM 749 O PRO A 65 -4.747 21.848 -3.002 1.00 1.46 O ATOM 750 CB PRO A 65 -3.106 20.278 -5.368 1.00 0.96 C ATOM 751 CG PRO A 65 -2.986 18.812 -5.585 1.00 0.81 C ATOM 752 CD PRO A 65 -2.064 18.306 -4.513 1.00 0.55 C ATOM 0 HA PRO A 65 -2.391 21.358 -3.562 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.066 20.650 -5.726 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -2.331 20.820 -5.911 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -3.960 18.328 -5.521 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.587 18.596 -6.576 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.307 17.284 -4.222 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.025 18.305 -4.843 1.00 0.55 H new ATOM 760 N GLY A 66 -5.087 19.624 -3.008 1.00 1.08 N ATOM 761 CA GLY A 66 -6.463 19.763 -2.565 1.00 1.38 C ATOM 762 C GLY A 66 -6.696 19.193 -1.187 1.00 1.38 C ATOM 763 O GLY A 66 -7.719 18.554 -0.939 1.00 2.03 O ATOM 0 H GLY A 66 -4.761 18.663 -3.114 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.735 20.818 -2.567 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -7.121 19.263 -3.276 1.00 1.38 H new ATOM 767 N GLY A 67 -5.749 19.433 -0.289 1.00 1.25 N ATOM 768 CA GLY A 67 -5.873 18.942 1.071 1.00 1.70 C ATOM 769 C GLY A 67 -4.583 19.059 1.850 1.00 1.24 C ATOM 770 O GLY A 67 -3.506 19.088 1.261 1.00 1.66 O ATOM 0 H GLY A 67 -4.896 19.959 -0.478 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -6.656 19.500 1.585 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -6.187 17.898 1.050 1.00 1.70 H new ATOM 774 N GLU A 68 -4.704 19.143 3.175 1.00 1.38 N ATOM 775 CA GLU A 68 -3.546 19.216 4.054 1.00 1.18 C ATOM 776 C GLU A 68 -3.940 18.711 5.434 1.00 0.94 C ATOM 777 O GLU A 68 -3.512 17.648 5.872 1.00 0.98 O ATOM 778 CB GLU A 68 -3.034 20.662 4.146 1.00 1.50 C ATOM 779 CG GLU A 68 -1.717 20.816 4.894 1.00 1.48 C ATOM 780 CD GLU A 68 -1.282 22.267 4.987 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.778 22.803 3.978 1.00 2.88 O ATOM 782 OE2 GLU A 68 -1.458 22.888 6.058 1.00 2.25 O ATOM 0 H GLU A 68 -5.600 19.162 3.662 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.745 18.596 3.651 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.913 21.057 3.137 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.791 21.272 4.639 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.820 20.403 5.898 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.944 20.237 4.389 1.00 1.48 H new ATOM 789 N GLU A 69 -4.798 19.490 6.090 1.00 0.91 N ATOM 790 CA GLU A 69 -5.300 19.173 7.412 1.00 0.84 C ATOM 791 C GLU A 69 -6.408 18.125 7.327 1.00 0.75 C ATOM 792 O GLU A 69 -6.364 17.099 7.997 1.00 0.78 O ATOM 793 CB GLU A 69 -5.827 20.453 8.063 1.00 0.97 C ATOM 794 CG GLU A 69 -6.395 20.248 9.462 1.00 1.64 C ATOM 795 CD GLU A 69 -5.317 20.056 10.514 1.00 1.97 C ATOM 796 OE1 GLU A 69 -4.679 18.987 10.539 1.00 2.27 O ATOM 797 OE2 GLU A 69 -5.111 20.982 11.324 1.00 2.63 O ATOM 0 H GLU A 69 -5.163 20.364 5.710 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.493 18.761 8.017 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.018 21.182 8.114 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.602 20.880 7.426 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.008 21.109 9.730 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.051 19.378 9.458 1.00 1.64 H new ATOM 804 N VAL A 70 -7.397 18.391 6.478 1.00 0.79 N ATOM 805 CA VAL A 70 -8.608 17.569 6.406 1.00 0.86 C ATOM 806 C VAL A 70 -8.362 16.211 5.759 1.00 0.82 C ATOM 807 O VAL A 70 -9.294 15.423 5.588 1.00 1.01 O ATOM 808 CB VAL A 70 -9.728 18.296 5.649 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.114 19.570 6.388 1.00 1.96 C ATOM 810 CG2 VAL A 70 -9.299 18.602 4.213 1.00 1.41 C ATOM 0 H VAL A 70 -7.386 19.174 5.825 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.915 17.398 7.438 1.00 0.86 H new ATOM 0 HB VAL A 70 -10.602 17.646 5.603 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.909 20.080 5.844 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.463 19.318 7.389 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -9.246 20.226 6.461 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.107 19.117 3.694 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -8.413 19.237 4.225 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -9.071 17.670 3.695 1.00 1.41 H new ATOM 820 N LEU A 71 -7.117 15.956 5.381 1.00 0.72 N ATOM 821 CA LEU A 71 -6.728 14.652 4.916 1.00 0.74 C ATOM 822 C LEU A 71 -6.640 13.633 6.035 1.00 0.70 C ATOM 823 O LEU A 71 -6.972 12.473 5.895 1.00 0.77 O ATOM 824 CB LEU A 71 -5.370 14.692 4.213 1.00 0.84 C ATOM 825 CG LEU A 71 -5.276 15.620 3.013 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.851 15.645 2.484 1.00 1.62 C ATOM 827 CD2 LEU A 71 -6.237 15.182 1.922 1.00 1.69 C ATOM 0 H LEU A 71 -6.364 16.644 5.391 1.00 0.72 H new ATOM 0 HA LEU A 71 -7.510 14.350 4.219 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.614 14.990 4.940 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -5.120 13.682 3.888 1.00 0.84 H new ATOM 0 HG LEU A 71 -5.553 16.626 3.329 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -3.794 16.313 1.624 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.179 16.001 3.265 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -3.557 14.640 2.183 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -6.155 15.859 1.072 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -5.990 14.169 1.605 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -7.257 15.203 2.306 1.00 1.69 H new ATOM 839 N ARG A 72 -6.200 14.148 7.206 1.00 0.70 N ATOM 840 CA ARG A 72 -5.952 13.306 8.369 1.00 0.78 C ATOM 841 C ARG A 72 -7.141 12.411 8.692 1.00 0.92 C ATOM 842 O ARG A 72 -6.971 11.223 8.924 1.00 1.03 O ATOM 843 CB ARG A 72 -5.588 14.186 9.563 1.00 0.77 C ATOM 844 CG ARG A 72 -4.297 14.946 9.302 1.00 1.42 C ATOM 845 CD ARG A 72 -4.069 16.062 10.292 1.00 1.49 C ATOM 846 NE ARG A 72 -3.883 15.537 11.630 1.00 2.11 N ATOM 847 CZ ARG A 72 -3.656 16.287 12.697 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.689 17.610 12.617 1.00 2.24 N ATOM 849 NH2 ARG A 72 -3.427 15.702 13.855 1.00 3.47 N ATOM 0 H ARG A 72 -6.014 15.139 7.357 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.118 12.643 8.140 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.396 14.890 9.761 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.478 13.569 10.455 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.457 14.252 9.343 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.321 15.359 8.294 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.193 16.640 9.999 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.919 16.744 10.280 1.00 1.49 H new ATOM 0 HE ARG A 72 -3.930 14.526 11.758 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.891 18.062 11.725 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -3.512 18.176 13.447 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -3.426 14.684 13.921 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -3.250 16.267 14.686 1.00 3.47 H new ATOM 863 N GLU A 73 -8.339 12.989 8.599 1.00 1.13 N ATOM 864 CA GLU A 73 -9.586 12.391 9.089 1.00 1.55 C ATOM 865 C GLU A 73 -9.863 11.039 8.449 1.00 1.28 C ATOM 866 O GLU A 73 -10.499 10.175 9.049 1.00 1.60 O ATOM 867 CB GLU A 73 -10.746 13.345 8.784 1.00 1.97 C ATOM 868 CG GLU A 73 -12.089 12.868 9.295 1.00 2.63 C ATOM 869 CD GLU A 73 -13.224 13.675 8.718 1.00 3.18 C ATOM 870 OE1 GLU A 73 -13.504 14.765 9.262 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.842 13.233 7.727 1.00 3.65 O ATOM 0 H GLU A 73 -8.475 13.905 8.172 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.486 12.232 10.163 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.527 14.318 9.223 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.810 13.489 7.705 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.223 11.817 9.039 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.110 12.937 10.383 1.00 2.63 H new ATOM 878 N GLN A 74 -9.380 10.894 7.222 1.00 0.77 N ATOM 879 CA GLN A 74 -9.647 9.729 6.378 1.00 0.62 C ATOM 880 C GLN A 74 -8.441 8.798 6.332 1.00 0.56 C ATOM 881 O GLN A 74 -8.514 7.705 5.781 1.00 0.64 O ATOM 882 CB GLN A 74 -9.954 10.219 4.964 1.00 0.63 C ATOM 883 CG GLN A 74 -11.204 11.079 4.865 1.00 0.76 C ATOM 884 CD GLN A 74 -12.478 10.348 5.258 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.603 9.141 5.058 1.00 1.57 O ATOM 886 NE2 GLN A 74 -13.430 11.075 5.840 1.00 1.68 N ATOM 0 H GLN A 74 -8.783 11.590 6.776 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.491 9.176 6.792 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.102 10.791 4.596 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -10.066 9.356 4.308 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.085 11.954 5.504 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.304 11.443 3.843 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -13.289 12.074 5.989 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -14.300 10.633 6.137 1.00 1.68 H new ATOM 895 N ALA A 75 -7.329 9.261 6.895 1.00 0.55 N ATOM 896 CA ALA A 75 -6.075 8.525 6.857 1.00 0.58 C ATOM 897 C ALA A 75 -5.967 7.574 8.034 1.00 0.52 C ATOM 898 O ALA A 75 -6.503 7.828 9.111 1.00 0.70 O ATOM 899 CB ALA A 75 -4.889 9.483 6.830 1.00 0.70 C ATOM 0 H ALA A 75 -7.274 10.153 7.387 1.00 0.55 H new ATOM 0 HA ALA A 75 -6.060 7.933 5.942 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.961 8.912 6.802 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.953 10.116 5.945 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.904 10.106 7.724 1.00 0.70 H new ATOM 905 N GLY A 76 -5.268 6.474 7.810 1.00 0.49 N ATOM 906 CA GLY A 76 -5.159 5.431 8.811 1.00 0.58 C ATOM 907 C GLY A 76 -5.908 4.188 8.391 1.00 0.48 C ATOM 908 O GLY A 76 -5.653 3.096 8.903 1.00 0.72 O ATOM 0 H GLY A 76 -4.768 6.282 6.942 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.109 5.188 8.974 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.553 5.793 9.761 1.00 0.58 H new ATOM 912 N GLY A 77 -6.838 4.364 7.461 1.00 0.42 N ATOM 913 CA GLY A 77 -7.553 3.245 6.882 1.00 0.52 C ATOM 914 C GLY A 77 -7.964 3.563 5.471 1.00 0.44 C ATOM 915 O GLY A 77 -7.310 4.385 4.830 1.00 0.78 O ATOM 0 H GLY A 77 -7.112 5.275 7.094 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -6.922 2.356 6.893 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.434 3.018 7.482 1.00 0.52 H new ATOM 919 N ASP A 78 -9.031 2.952 4.971 1.00 0.55 N ATOM 920 CA ASP A 78 -9.417 3.185 3.587 1.00 0.72 C ATOM 921 C ASP A 78 -10.058 4.567 3.454 1.00 0.67 C ATOM 922 O ASP A 78 -10.660 5.074 4.403 1.00 1.04 O ATOM 923 CB ASP A 78 -10.349 2.096 3.052 1.00 1.14 C ATOM 924 CG ASP A 78 -10.438 2.100 1.538 1.00 1.82 C ATOM 925 OD1 ASP A 78 -11.161 2.956 0.989 1.00 2.59 O ATOM 926 OD2 ASP A 78 -9.787 1.251 0.903 1.00 2.28 O ATOM 0 H ASP A 78 -9.630 2.308 5.488 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.514 3.147 2.978 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -9.995 1.122 3.389 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.345 2.236 3.472 1.00 1.14 H new ATOM 931 N ALA A 79 -9.944 5.167 2.288 1.00 0.54 N ATOM 932 CA ALA A 79 -10.469 6.504 2.079 1.00 0.58 C ATOM 933 C ALA A 79 -11.273 6.606 0.786 1.00 0.56 C ATOM 934 O ALA A 79 -11.690 7.700 0.402 1.00 0.67 O ATOM 935 CB ALA A 79 -9.333 7.509 2.054 1.00 0.73 C ATOM 0 H ALA A 79 -9.494 4.753 1.471 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.141 6.725 2.908 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.736 8.510 1.897 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.799 7.478 3.004 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.647 7.263 1.244 1.00 0.73 H new ATOM 941 N THR A 80 -11.526 5.477 0.126 1.00 0.54 N ATOM 942 CA THR A 80 -12.175 5.501 -1.185 1.00 0.60 C ATOM 943 C THR A 80 -13.634 5.959 -1.079 1.00 0.65 C ATOM 944 O THR A 80 -14.312 6.144 -2.096 1.00 0.84 O ATOM 945 CB THR A 80 -12.120 4.130 -1.906 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.488 4.294 -3.283 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.065 3.120 -1.260 1.00 0.70 C ATOM 0 H THR A 80 -11.295 4.545 0.471 1.00 0.54 H new ATOM 0 HA THR A 80 -11.611 6.219 -1.781 1.00 0.60 H new ATOM 0 HB THR A 80 -11.101 3.753 -1.826 1.00 0.66 H new ATOM 0 HG1 THR A 80 -13.209 4.954 -3.352 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.001 2.170 -1.791 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.783 2.973 -0.217 1.00 0.70 H new ATOM 0 HG23 THR A 80 -14.087 3.495 -1.310 1.00 0.70 H new ATOM 955 N GLU A 81 -14.107 6.130 0.155 1.00 0.65 N ATOM 956 CA GLU A 81 -15.419 6.723 0.420 1.00 0.79 C ATOM 957 C GLU A 81 -15.576 7.996 -0.417 1.00 0.85 C ATOM 958 O GLU A 81 -16.567 8.194 -1.117 1.00 0.98 O ATOM 959 CB GLU A 81 -15.522 7.065 1.914 1.00 0.91 C ATOM 960 CG GLU A 81 -16.926 7.375 2.404 1.00 1.54 C ATOM 961 CD GLU A 81 -17.625 6.172 3.008 1.00 1.82 C ATOM 962 OE1 GLU A 81 -17.075 5.571 3.950 1.00 2.27 O ATOM 963 OE2 GLU A 81 -18.713 5.803 2.517 1.00 2.27 O ATOM 0 H GLU A 81 -13.595 5.863 0.996 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.208 6.019 0.154 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.128 6.229 2.491 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.883 7.924 2.120 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.877 8.171 3.148 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -17.520 7.753 1.572 1.00 1.54 H new ATOM 970 N ASN A 82 -14.536 8.833 -0.338 1.00 0.82 N ATOM 971 CA ASN A 82 -14.490 10.139 -0.992 1.00 0.90 C ATOM 972 C ASN A 82 -14.411 9.993 -2.504 1.00 0.94 C ATOM 973 O ASN A 82 -14.989 10.768 -3.267 1.00 1.09 O ATOM 974 CB ASN A 82 -13.261 10.907 -0.487 1.00 0.93 C ATOM 975 CG ASN A 82 -13.047 12.219 -1.219 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.377 12.265 -2.243 1.00 2.41 O ATOM 977 ND2 ASN A 82 -13.593 13.300 -0.689 1.00 2.40 N ATOM 0 H ASN A 82 -13.691 8.616 0.191 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.403 10.683 -0.750 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.374 11.105 0.579 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.375 10.283 -0.603 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -13.462 14.208 -1.134 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -14.145 13.226 0.165 1.00 2.40 H new ATOM 984 N PHE A 83 -13.640 8.987 -2.908 1.00 0.85 N ATOM 985 CA PHE A 83 -13.227 8.796 -4.288 1.00 0.89 C ATOM 986 C PHE A 83 -14.379 8.384 -5.177 1.00 1.02 C ATOM 987 O PHE A 83 -14.382 8.679 -6.363 1.00 1.17 O ATOM 988 CB PHE A 83 -12.119 7.742 -4.341 1.00 0.81 C ATOM 989 CG PHE A 83 -11.593 7.491 -5.731 1.00 0.86 C ATOM 990 CD1 PHE A 83 -10.647 8.337 -6.302 1.00 0.97 C ATOM 991 CD2 PHE A 83 -12.031 6.402 -6.461 1.00 1.20 C ATOM 992 CE1 PHE A 83 -10.156 8.097 -7.576 1.00 1.06 C ATOM 993 CE2 PHE A 83 -11.543 6.162 -7.732 1.00 1.33 C ATOM 994 CZ PHE A 83 -10.639 7.047 -8.309 1.00 1.13 C ATOM 0 H PHE A 83 -13.281 8.273 -2.274 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.857 9.750 -4.664 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.295 8.060 -3.702 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.499 6.806 -3.930 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -10.291 9.191 -5.746 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -12.762 5.732 -6.034 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -9.392 8.739 -7.990 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -11.864 5.287 -8.277 1.00 1.33 H new ATOM 0 HZ PHE A 83 -10.319 6.906 -9.331 1.00 1.13 H new ATOM 1004 N GLU A 84 -15.342 7.689 -4.602 1.00 1.00 N ATOM 1005 CA GLU A 84 -16.455 7.154 -5.376 1.00 1.14 C ATOM 1006 C GLU A 84 -17.605 8.154 -5.447 1.00 1.24 C ATOM 1007 O GLU A 84 -18.632 7.914 -6.086 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.917 5.839 -4.768 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.861 4.759 -4.863 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.425 3.355 -4.798 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -17.421 3.077 -5.501 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -15.903 2.537 -4.014 1.00 2.19 O ATOM 0 H GLU A 84 -15.380 7.480 -3.604 1.00 1.00 H new ATOM 0 HA GLU A 84 -16.116 6.972 -6.396 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -17.178 5.997 -3.722 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.822 5.505 -5.276 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.313 4.879 -5.798 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.143 4.892 -4.053 1.00 1.33 H new ATOM 1019 N ASP A 85 -17.418 9.275 -4.759 1.00 1.18 N ATOM 1020 CA ASP A 85 -18.410 10.341 -4.728 1.00 1.34 C ATOM 1021 C ASP A 85 -18.075 11.384 -5.781 1.00 1.45 C ATOM 1022 O ASP A 85 -18.944 11.822 -6.530 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.456 10.999 -3.346 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.548 12.050 -3.253 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.743 11.689 -3.291 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.215 13.249 -3.155 1.00 1.81 O ATOM 0 H ASP A 85 -16.580 9.469 -4.211 1.00 1.18 H new ATOM 0 HA ASP A 85 -19.388 9.910 -4.939 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.622 10.235 -2.586 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.491 11.458 -3.131 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.809 11.790 -5.816 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.332 12.732 -6.827 1.00 1.50 C ATOM 1033 C VAL A 86 -15.000 12.261 -7.423 1.00 1.26 C ATOM 1034 O VAL A 86 -14.824 12.260 -8.637 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.192 14.180 -6.280 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -17.565 14.799 -6.048 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -15.383 14.204 -4.994 1.00 2.64 C ATOM 0 H VAL A 86 -16.094 11.482 -5.157 1.00 1.34 H new ATOM 0 HA VAL A 86 -17.089 12.756 -7.611 1.00 1.50 H new ATOM 0 HB VAL A 86 -15.662 14.769 -7.028 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -17.447 15.813 -5.665 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -18.115 14.828 -6.989 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -18.117 14.199 -5.324 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -15.301 15.230 -4.635 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -15.880 13.594 -4.240 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -14.386 13.806 -5.184 1.00 2.64 H new ATOM 1047 N GLY A 87 -14.065 11.865 -6.561 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.866 11.194 -7.022 1.00 1.82 C ATOM 1049 C GLY A 87 -11.713 12.114 -7.385 1.00 1.46 C ATOM 1050 O GLY A 87 -11.578 13.218 -6.860 1.00 2.23 O ATOM 0 H GLY A 87 -14.119 11.998 -5.551 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.531 10.506 -6.245 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.118 10.591 -7.894 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.881 11.610 -8.288 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.685 12.299 -8.771 1.00 0.81 C ATOM 1056 C HIS A 88 -9.747 12.421 -10.292 1.00 0.89 C ATOM 1057 O HIS A 88 -10.764 12.102 -10.902 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.409 11.520 -8.393 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.931 11.728 -6.988 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.120 10.820 -5.947 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.222 12.753 -6.463 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.524 11.325 -4.848 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.987 12.480 -5.134 1.00 0.48 N ATOM 0 H HIS A 88 -11.019 10.694 -8.715 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.651 13.285 -8.308 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.593 10.456 -8.544 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.611 11.806 -9.078 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -6.896 13.635 -6.995 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.495 10.847 -3.880 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -6.479 13.079 -4.483 1.00 0.48 H new ATOM 1071 N SER A 89 -8.657 12.863 -10.896 1.00 0.81 N ATOM 1072 CA SER A 89 -8.555 12.900 -12.345 1.00 1.00 C ATOM 1073 C SER A 89 -7.379 12.046 -12.832 1.00 1.00 C ATOM 1074 O SER A 89 -6.746 11.351 -12.029 1.00 1.43 O ATOM 1075 CB SER A 89 -8.433 14.349 -12.832 1.00 1.22 C ATOM 1076 OG SER A 89 -7.443 15.058 -12.106 1.00 1.06 O ATOM 0 H SER A 89 -7.830 13.202 -10.405 1.00 0.81 H new ATOM 0 HA SER A 89 -9.465 12.475 -12.769 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.184 14.358 -13.893 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.394 14.852 -12.726 1.00 1.22 H new ATOM 0 HG SER A 89 -6.641 15.159 -12.660 1.00 1.06 H new ATOM 1082 N THR A 90 -7.088 12.094 -14.130 1.00 1.14 N ATOM 1083 CA THR A 90 -6.053 11.262 -14.733 1.00 1.15 C ATOM 1084 C THR A 90 -4.705 11.392 -14.008 1.00 1.15 C ATOM 1085 O THR A 90 -3.975 10.412 -13.859 1.00 1.72 O ATOM 1086 CB THR A 90 -5.877 11.635 -16.215 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.165 11.847 -16.804 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.152 10.532 -16.980 1.00 1.49 C ATOM 0 H THR A 90 -7.562 12.709 -14.791 1.00 1.14 H new ATOM 0 HA THR A 90 -6.379 10.226 -14.643 1.00 1.15 H new ATOM 0 HB THR A 90 -5.278 12.544 -16.271 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.058 12.087 -17.748 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.043 10.825 -18.024 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.166 10.373 -16.543 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.728 9.609 -16.921 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.399 12.598 -13.540 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.122 12.890 -12.890 1.00 0.97 C ATOM 1098 C ASP A 91 -2.813 11.882 -11.778 1.00 0.89 C ATOM 1099 O ASP A 91 -1.744 11.263 -11.751 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.156 14.300 -12.297 1.00 1.12 C ATOM 1101 CG ASP A 91 -3.831 15.307 -13.206 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -5.072 15.217 -13.376 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -3.142 16.199 -13.733 1.00 1.90 O ATOM 0 H ASP A 91 -5.026 13.400 -13.599 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.339 12.818 -13.645 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.679 14.274 -11.341 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.136 14.628 -12.094 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.782 11.690 -10.881 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.568 10.927 -9.649 1.00 0.90 C ATOM 1110 C ALA A 92 -3.742 9.424 -9.846 1.00 0.82 C ATOM 1111 O ALA A 92 -3.756 8.667 -8.876 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.504 11.438 -8.564 1.00 0.97 C ATOM 0 H ALA A 92 -4.729 12.055 -10.986 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.532 11.079 -9.345 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.344 10.869 -7.648 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.302 12.493 -8.377 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.537 11.318 -8.889 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.857 8.992 -11.095 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.921 7.563 -11.410 1.00 0.73 C ATOM 1120 C ARG A 93 -2.521 7.068 -11.720 1.00 0.69 C ATOM 1121 O ARG A 93 -2.264 5.866 -11.796 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.857 7.308 -12.604 1.00 0.82 C ATOM 1123 CG ARG A 93 -4.203 7.483 -13.973 1.00 1.64 C ATOM 1124 CD ARG A 93 -5.226 7.376 -15.099 1.00 1.70 C ATOM 1125 NE ARG A 93 -4.936 6.274 -16.033 1.00 2.71 N ATOM 1126 CZ ARG A 93 -5.875 5.490 -16.571 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -7.149 5.666 -16.242 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -5.536 4.529 -17.428 1.00 4.15 N ATOM 0 H ARG A 93 -3.908 9.606 -11.908 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.322 7.022 -10.553 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.250 6.294 -12.531 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.708 7.986 -12.533 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -3.709 8.453 -14.020 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -3.431 6.725 -14.108 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.217 7.231 -14.670 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -5.252 8.316 -15.650 1.00 1.70 H new ATOM 0 HE ARG A 93 -3.963 6.100 -16.283 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -7.409 6.398 -15.581 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -7.868 5.069 -16.651 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -4.557 4.389 -17.676 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -6.256 3.933 -17.836 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.615 8.031 -11.890 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.269 7.751 -12.343 1.00 0.60 C ATOM 1144 C GLU A 94 0.760 8.249 -11.334 1.00 0.58 C ATOM 1145 O GLU A 94 1.730 7.572 -11.015 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.041 8.434 -13.690 1.00 0.68 C ATOM 1147 CG GLU A 94 1.087 7.818 -14.483 1.00 1.19 C ATOM 1148 CD GLU A 94 0.723 6.433 -14.955 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.920 5.484 -14.170 1.00 2.11 O ATOM 1150 OE2 GLU A 94 0.270 6.286 -16.114 1.00 1.62 O ATOM 0 H GLU A 94 -1.800 9.019 -11.716 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.151 6.672 -12.446 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.959 8.384 -14.276 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.174 9.490 -13.524 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.320 8.449 -15.341 1.00 1.19 H new ATOM 0 HG3 GLU A 94 1.986 7.772 -13.868 1.00 1.19 H new ATOM 1157 N MET A 95 0.537 9.476 -10.869 1.00 0.48 N ATOM 1158 CA MET A 95 1.459 10.149 -9.962 1.00 0.49 C ATOM 1159 C MET A 95 1.531 9.461 -8.601 1.00 0.42 C ATOM 1160 O MET A 95 2.486 9.651 -7.854 1.00 0.50 O ATOM 1161 CB MET A 95 1.037 11.617 -9.795 1.00 0.53 C ATOM 1162 CG MET A 95 1.962 12.435 -8.896 1.00 0.65 C ATOM 1163 SD MET A 95 1.493 14.185 -8.796 1.00 1.09 S ATOM 1164 CE MET A 95 1.655 14.719 -10.502 1.00 1.75 C ATOM 0 H MET A 95 -0.286 10.029 -11.110 1.00 0.48 H new ATOM 0 HA MET A 95 2.456 10.099 -10.400 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.996 12.086 -10.778 1.00 0.53 H new ATOM 0 HB3 MET A 95 0.028 11.649 -9.384 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.958 12.006 -7.894 1.00 0.65 H new ATOM 0 HG3 MET A 95 2.983 12.359 -9.271 1.00 0.65 H new ATOM 0 HE1 MET A 95 1.731 15.806 -10.537 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.551 14.278 -10.938 1.00 1.75 H new ATOM 0 HE3 MET A 95 0.781 14.398 -11.068 1.00 1.75 H new ATOM 1174 N SER A 96 0.506 8.654 -8.304 1.00 0.34 N ATOM 1175 CA SER A 96 0.315 8.089 -6.972 1.00 0.31 C ATOM 1176 C SER A 96 1.020 6.730 -6.833 1.00 0.31 C ATOM 1177 O SER A 96 1.120 6.166 -5.747 1.00 0.33 O ATOM 1178 CB SER A 96 -1.190 7.968 -6.687 1.00 0.36 C ATOM 1179 OG SER A 96 -1.845 7.206 -7.684 1.00 1.13 O ATOM 0 H SER A 96 -0.208 8.378 -8.978 1.00 0.34 H new ATOM 0 HA SER A 96 0.766 8.754 -6.236 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.341 7.502 -5.713 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.633 8.962 -6.637 1.00 0.36 H new ATOM 0 HG SER A 96 -2.664 7.667 -7.963 1.00 1.13 H new ATOM 1185 N LYS A 97 1.497 6.220 -7.992 1.00 0.36 N ATOM 1186 CA LYS A 97 2.001 4.843 -8.142 1.00 0.43 C ATOM 1187 C LYS A 97 3.189 4.572 -7.237 1.00 0.41 C ATOM 1188 O LYS A 97 3.453 3.426 -6.875 1.00 0.48 O ATOM 1189 CB LYS A 97 2.467 4.586 -9.577 1.00 0.56 C ATOM 1190 CG LYS A 97 1.395 4.650 -10.657 1.00 0.83 C ATOM 1191 CD LYS A 97 0.262 3.669 -10.413 1.00 1.15 C ATOM 1192 CE LYS A 97 -0.147 2.956 -11.695 1.00 1.56 C ATOM 1193 NZ LYS A 97 -0.638 3.891 -12.741 1.00 2.15 N ATOM 0 H LYS A 97 1.541 6.761 -8.855 1.00 0.36 H new ATOM 0 HA LYS A 97 1.171 4.189 -7.875 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.242 5.313 -9.820 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.932 3.601 -9.614 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.991 5.661 -10.704 1.00 0.83 H new ATOM 0 HG3 LYS A 97 1.848 4.442 -11.626 1.00 0.83 H new ATOM 0 HD2 LYS A 97 0.570 2.934 -9.669 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -0.597 4.199 -10.001 1.00 1.15 H new ATOM 0 HE2 LYS A 97 0.705 2.398 -12.083 1.00 1.56 H new ATOM 0 HE3 LYS A 97 -0.927 2.229 -11.468 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -0.950 3.349 -13.572 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 -1.437 4.442 -12.367 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 0.129 4.537 -13.017 1.00 2.15 H new ATOM 1207 N THR A 98 3.950 5.627 -6.951 1.00 0.40 N ATOM 1208 CA THR A 98 5.143 5.518 -6.125 1.00 0.46 C ATOM 1209 C THR A 98 4.861 5.916 -4.687 1.00 0.41 C ATOM 1210 O THR A 98 5.774 6.054 -3.877 1.00 0.48 O ATOM 1211 CB THR A 98 6.285 6.386 -6.687 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.735 7.563 -7.292 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.091 5.604 -7.718 1.00 1.15 C ATOM 0 H THR A 98 3.757 6.572 -7.284 1.00 0.40 H new ATOM 0 HA THR A 98 5.450 4.472 -6.142 1.00 0.46 H new ATOM 0 HB THR A 98 6.949 6.670 -5.870 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.460 8.117 -7.648 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.894 6.232 -8.105 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.518 4.717 -7.250 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.439 5.303 -8.538 1.00 1.15 H new ATOM 1221 N PHE A 99 3.589 6.123 -4.390 1.00 0.32 N ATOM 1222 CA PHE A 99 3.160 6.378 -3.029 1.00 0.32 C ATOM 1223 C PHE A 99 2.605 5.104 -2.417 1.00 0.30 C ATOM 1224 O PHE A 99 2.402 5.010 -1.204 1.00 0.31 O ATOM 1225 CB PHE A 99 2.107 7.484 -2.985 1.00 0.34 C ATOM 1226 CG PHE A 99 2.682 8.849 -3.189 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.336 9.509 -2.157 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.547 9.489 -4.406 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.852 10.773 -2.353 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.065 10.751 -4.605 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.710 11.398 -3.575 1.00 0.47 C ATOM 0 H PHE A 99 2.835 6.119 -5.077 1.00 0.32 H new ATOM 0 HA PHE A 99 4.023 6.709 -2.452 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.357 7.294 -3.752 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.595 7.452 -2.023 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.441 9.030 -1.195 1.00 0.88 H new ATOM 0 HD2 PHE A 99 2.028 8.993 -5.213 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.368 11.275 -1.548 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.965 11.231 -5.567 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.104 12.393 -3.723 1.00 0.47 H new ATOM 1241 N ILE A 100 2.343 4.127 -3.279 1.00 0.32 N ATOM 1242 CA ILE A 100 1.854 2.835 -2.854 1.00 0.32 C ATOM 1243 C ILE A 100 3.004 2.031 -2.251 1.00 0.34 C ATOM 1244 O ILE A 100 3.860 1.536 -2.979 1.00 0.43 O ATOM 1245 CB ILE A 100 1.266 2.026 -4.032 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.335 2.909 -4.872 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.546 0.799 -3.503 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.238 2.221 -6.093 1.00 0.38 C ATOM 0 H ILE A 100 2.466 4.215 -4.288 1.00 0.32 H new ATOM 0 HA ILE A 100 1.066 3.008 -2.121 1.00 0.32 H new ATOM 0 HB ILE A 100 2.074 1.690 -4.682 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.487 3.253 -4.243 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.884 3.795 -5.192 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.133 0.232 -4.337 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.249 0.174 -2.952 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.262 1.109 -2.840 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.885 2.914 -6.631 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.575 1.902 -6.746 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.817 1.351 -5.782 1.00 0.38 H new ATOM 1260 N ILE A 101 3.019 1.878 -0.934 1.00 0.32 N ATOM 1261 CA ILE A 101 4.153 1.234 -0.268 1.00 0.35 C ATOM 1262 C ILE A 101 3.955 -0.274 -0.121 1.00 0.36 C ATOM 1263 O ILE A 101 4.916 -1.026 0.074 1.00 0.43 O ATOM 1264 CB ILE A 101 4.427 1.843 1.114 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.217 1.662 2.037 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.781 3.314 0.962 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.467 2.063 3.471 1.00 0.38 C ATOM 0 H ILE A 101 2.273 2.184 -0.310 1.00 0.32 H new ATOM 0 HA ILE A 101 5.015 1.413 -0.911 1.00 0.35 H new ATOM 0 HB ILE A 101 5.270 1.324 1.570 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.386 2.249 1.647 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.908 0.617 2.012 1.00 0.33 H new ATOM 0 HG21 ILE A 101 4.975 3.745 1.944 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.671 3.412 0.340 1.00 0.46 H new ATOM 0 HG23 ILE A 101 3.951 3.841 0.492 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.561 1.904 4.056 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.276 1.459 3.882 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.745 3.116 3.511 1.00 0.38 H new ATOM 1279 N GLY A 102 2.710 -0.720 -0.199 1.00 0.33 N ATOM 1280 CA GLY A 102 2.434 -2.139 -0.088 1.00 0.39 C ATOM 1281 C GLY A 102 0.950 -2.426 -0.036 1.00 0.35 C ATOM 1282 O GLY A 102 0.143 -1.589 -0.446 1.00 0.35 O ATOM 0 H GLY A 102 1.890 -0.130 -0.336 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.875 -2.661 -0.937 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.911 -2.532 0.810 1.00 0.39 H new ATOM 1286 N GLU A 103 0.574 -3.591 0.477 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.833 -3.948 0.559 1.00 0.42 C ATOM 1288 C GLU A 103 -1.182 -4.481 1.947 1.00 0.37 C ATOM 1289 O GLU A 103 -0.322 -4.533 2.826 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.202 -4.977 -0.509 1.00 0.52 C ATOM 1291 CG GLU A 103 -0.885 -4.524 -1.930 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.545 -5.382 -2.989 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -0.985 -6.445 -3.325 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.634 -5.021 -3.472 1.00 1.85 O ATOM 0 H GLU A 103 1.217 -4.296 0.838 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.413 -3.043 0.380 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.669 -5.906 -0.306 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.267 -5.198 -0.436 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.207 -3.490 -2.056 1.00 0.74 H new ATOM 0 HG3 GLU A 103 0.195 -4.541 -2.078 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.436 -4.871 2.144 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.866 -5.406 3.427 1.00 0.42 C ATOM 1303 C LEU A 104 -2.382 -6.839 3.603 1.00 0.42 C ATOM 1304 O LEU A 104 -1.837 -7.431 2.675 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.395 -5.353 3.542 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.016 -3.976 3.322 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.531 -4.038 3.433 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.444 -2.996 4.324 1.00 1.33 C ATOM 0 H LEU A 104 -3.168 -4.827 1.435 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.429 -4.792 4.215 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.822 -6.046 2.818 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.682 -5.709 4.531 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.773 -3.637 2.315 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -6.949 -3.044 3.272 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.923 -4.722 2.681 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.809 -4.392 4.426 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.888 -2.013 4.166 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.668 -3.337 5.335 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.364 -2.931 4.194 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.547 -7.385 4.801 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.233 -8.799 5.049 1.00 0.53 C ATOM 1322 C HIS A 105 -2.987 -9.704 4.058 1.00 0.60 C ATOM 1323 O HIS A 105 -4.067 -9.344 3.599 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.623 -9.163 6.484 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.831 -10.297 7.069 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -2.418 -11.429 7.577 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.491 -10.464 7.234 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -1.479 -12.244 8.029 1.00 2.41 C ATOM 1329 NE2 HIS A 105 -0.300 -11.685 7.832 1.00 2.37 N ATOM 0 H HIS A 105 -2.894 -6.879 5.616 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.163 -8.952 4.910 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.499 -8.284 7.116 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.681 -9.424 6.506 1.00 0.68 H new ATOM 0 HD1 HIS A 105 -3.421 -11.613 7.602 1.00 1.82 H new ATOM 0 HD2 HIS A 105 0.281 -9.765 6.947 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -1.649 -13.208 8.484 1.00 2.41 H new ATOM 1338 N PRO A 106 -2.410 -10.873 3.694 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.037 -11.859 2.801 1.00 1.00 C ATOM 1340 C PRO A 106 -4.538 -12.073 3.033 1.00 1.18 C ATOM 1341 O PRO A 106 -5.268 -12.432 2.112 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.287 -13.159 3.119 1.00 1.17 C ATOM 1343 CG PRO A 106 -0.990 -12.767 3.750 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.050 -11.290 4.064 1.00 0.79 C ATOM 0 HA PRO A 106 -2.969 -11.520 1.767 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.870 -13.787 3.793 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -2.116 -13.738 2.212 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -0.819 -13.343 4.659 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.159 -12.980 3.077 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.854 -11.104 5.120 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.301 -10.736 3.498 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.972 -11.876 4.280 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.346 -12.146 4.696 1.00 1.47 C ATOM 1354 C ASP A 107 -7.240 -10.954 4.380 1.00 1.22 C ATOM 1355 O ASP A 107 -8.408 -11.102 4.003 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.378 -12.421 6.206 1.00 1.90 C ATOM 1357 CG ASP A 107 -5.470 -13.561 6.608 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -5.904 -14.731 6.507 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -4.329 -13.296 7.034 1.00 3.31 O ATOM 0 H ASP A 107 -4.377 -11.524 5.030 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.714 -13.017 4.153 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.082 -11.519 6.742 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -7.400 -12.651 6.508 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.672 -9.767 4.590 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.352 -8.486 4.377 1.00 1.11 C ATOM 1366 C ASP A 108 -7.325 -8.099 2.903 1.00 1.14 C ATOM 1367 O ASP A 108 -8.102 -7.265 2.432 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.644 -7.380 5.176 1.00 1.39 C ATOM 1369 CG ASP A 108 -6.477 -7.710 6.647 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.407 -7.423 7.429 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -5.428 -8.274 7.013 1.00 3.44 O ATOM 0 H ASP A 108 -5.712 -9.665 4.918 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.385 -8.595 4.708 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.662 -7.198 4.739 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -7.211 -6.454 5.081 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.334 -8.674 2.218 1.00 0.99 N ATOM 1377 CA ARG A 109 -5.927 -8.235 0.886 1.00 1.18 C ATOM 1378 C ARG A 109 -6.993 -8.532 -0.169 1.00 1.48 C ATOM 1379 O ARG A 109 -7.302 -7.650 -0.956 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.554 -8.874 0.527 1.00 1.11 C ATOM 1381 CG ARG A 109 -3.779 -8.202 -0.610 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.145 -8.777 -1.966 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.283 -8.237 -3.006 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.065 -8.822 -4.184 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -3.704 -9.933 -4.523 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.192 -8.289 -5.025 1.00 3.35 N ATOM 0 H ARG A 109 -5.791 -9.460 2.575 1.00 0.99 H new ATOM 0 HA ARG A 109 -5.815 -7.151 0.896 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -3.928 -8.869 1.420 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.720 -9.918 0.260 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -3.982 -7.131 -0.604 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -2.709 -8.324 -0.441 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -4.056 -9.863 -1.941 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -5.186 -8.547 -2.194 1.00 1.73 H new ATOM 0 HE ARG A 109 -2.813 -7.351 -2.821 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -4.374 -10.353 -3.879 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -3.526 -10.368 -5.428 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -1.692 -7.437 -4.769 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -2.019 -8.730 -5.928 1.00 3.35 H new