USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 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 58 THR OG1 : rot -36:sc= 1.18 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.619) USER MOD Set 2.1: A 51 HIS : no HD1:sc= 0.77 K(o=0.91,f=-3.6!) USER MOD Set 2.2: A 80 THR OG1 : rot -15:sc= 0.143 USER MOD Set 3.1: A 42 HIS : no HE2:sc= -0.591 X(o=-0.14,f=-0.23) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0.449 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00211 (180deg=-0.0957) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -84:sc= 0.0606 USER MOD Single : A 38 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 1.28 (180deg=1.09) USER MOD Single : A 40 HIS : no HE2:sc= 0.577 K(o=0.58,f=-2.7!) USER MOD Single : A 41 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.0665 X(o=-0.066,f=-0.03) USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= 1.03 (180deg=-0.561!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-4.3!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0164 F(o=-0.84,f=-0.016) USER MOD Single : A 82 ASN : amide:sc= -0.0701 K(o=-0.07,f=-1.8!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 105 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 3.891 -10.618 -1.451 1.00 1.65 N ATOM 109 CA VAL A 29 3.555 -9.202 -1.509 1.00 1.29 C ATOM 110 C VAL A 29 3.777 -8.600 -0.135 1.00 1.04 C ATOM 111 O VAL A 29 3.482 -9.241 0.872 1.00 1.10 O ATOM 112 CB VAL A 29 2.082 -8.971 -1.921 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.822 -7.500 -2.204 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.698 -9.826 -3.123 1.00 1.82 C ATOM 0 HA VAL A 29 4.190 -8.732 -2.260 1.00 1.29 H new ATOM 0 HB VAL A 29 1.456 -9.275 -1.083 1.00 1.34 H new ATOM 0 HG11 VAL A 29 0.780 -7.364 -2.492 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.031 -6.915 -1.309 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.469 -7.166 -3.015 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.657 -9.638 -3.385 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.337 -9.572 -3.969 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.826 -10.880 -2.876 1.00 1.82 H new ATOM 124 N LYS A 30 4.316 -7.386 -0.079 1.00 0.90 N ATOM 125 CA LYS A 30 4.527 -6.730 1.198 1.00 0.79 C ATOM 126 C LYS A 30 3.198 -6.214 1.733 1.00 0.63 C ATOM 127 O LYS A 30 2.603 -5.304 1.152 1.00 0.66 O ATOM 128 CB LYS A 30 5.550 -5.582 1.109 1.00 0.87 C ATOM 129 CG LYS A 30 6.967 -6.016 0.738 1.00 1.26 C ATOM 130 CD LYS A 30 7.131 -6.246 -0.761 1.00 2.11 C ATOM 131 CE LYS A 30 7.131 -4.940 -1.542 1.00 2.93 C ATOM 132 NZ LYS A 30 8.369 -4.146 -1.307 1.00 3.71 N ATOM 0 H LYS A 30 4.610 -6.846 -0.893 1.00 0.90 H new ATOM 0 HA LYS A 30 4.941 -7.469 1.884 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.201 -4.859 0.371 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.582 -5.067 2.069 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.675 -5.255 1.066 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.215 -6.933 1.273 1.00 1.26 H new ATOM 0 HD2 LYS A 30 8.064 -6.779 -0.946 1.00 2.11 H new ATOM 0 HD3 LYS A 30 6.323 -6.883 -1.120 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.035 -5.155 -2.606 1.00 2.93 H new ATOM 0 HE3 LYS A 30 6.262 -4.348 -1.257 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 8.415 -3.364 -1.991 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.356 -3.761 -0.341 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.202 -4.758 -1.424 1.00 3.71 H new ATOM 146 N TYR A 31 2.732 -6.795 2.823 1.00 0.56 N ATOM 147 CA TYR A 31 1.451 -6.414 3.389 1.00 0.49 C ATOM 148 C TYR A 31 1.623 -5.592 4.662 1.00 0.50 C ATOM 149 O TYR A 31 2.718 -5.500 5.223 1.00 0.64 O ATOM 150 CB TYR A 31 0.612 -7.650 3.715 1.00 0.56 C ATOM 151 CG TYR A 31 0.372 -8.586 2.551 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.153 -8.120 1.356 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.668 -9.939 2.656 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.384 -8.977 0.294 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.442 -10.804 1.603 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.081 -10.319 0.422 1.00 0.89 C ATOM 157 OH TYR A 31 -0.308 -11.176 -0.630 1.00 1.06 O ATOM 0 H TYR A 31 3.220 -7.531 3.333 1.00 0.56 H new ATOM 0 HA TYR A 31 0.942 -5.808 2.639 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.106 -8.205 4.512 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.353 -7.323 4.104 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.386 -7.071 1.252 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.082 -10.321 3.577 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.798 -8.599 -0.629 1.00 0.75 H new ATOM 0 HE2 TYR A 31 0.673 -11.854 1.704 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.040 -12.084 -0.376 1.00 1.06 H new ATOM 167 N TYR A 32 0.535 -4.981 5.086 1.00 0.43 N ATOM 168 CA TYR A 32 0.396 -4.465 6.438 1.00 0.46 C ATOM 169 C TYR A 32 -1.018 -4.762 6.902 1.00 0.53 C ATOM 170 O TYR A 32 -1.927 -4.852 6.080 1.00 0.89 O ATOM 171 CB TYR A 32 0.652 -2.955 6.528 1.00 0.46 C ATOM 172 CG TYR A 32 2.067 -2.530 6.198 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.055 -2.524 7.176 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.415 -2.126 4.915 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.344 -2.125 6.886 1.00 1.20 C ATOM 176 CE2 TYR A 32 3.706 -1.728 4.617 1.00 1.03 C ATOM 177 CZ TYR A 32 4.665 -1.726 5.606 1.00 0.81 C ATOM 178 OH TYR A 32 5.952 -1.324 5.320 1.00 0.96 O ATOM 0 H TYR A 32 -0.285 -4.826 4.500 1.00 0.43 H new ATOM 0 HA TYR A 32 1.142 -4.948 7.069 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -0.033 -2.444 5.852 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.413 -2.620 7.537 1.00 0.46 H new ATOM 0 HD1 TYR A 32 2.810 -2.837 8.180 1.00 1.09 H new ATOM 0 HD2 TYR A 32 1.665 -2.123 4.138 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.098 -2.125 7.659 1.00 1.20 H new ATOM 0 HE2 TYR A 32 3.961 -1.420 3.614 1.00 1.03 H new ATOM 0 HH TYR A 32 6.014 -1.075 4.374 1.00 0.96 H new ATOM 188 N THR A 33 -1.217 -4.962 8.187 1.00 0.48 N ATOM 189 CA THR A 33 -2.566 -5.124 8.701 1.00 0.57 C ATOM 190 C THR A 33 -3.273 -3.786 8.779 1.00 0.56 C ATOM 191 O THR A 33 -2.654 -2.736 8.585 1.00 0.60 O ATOM 192 CB THR A 33 -2.587 -5.756 10.101 1.00 0.72 C ATOM 193 OG1 THR A 33 -1.566 -5.179 10.921 1.00 0.77 O ATOM 194 CG2 THR A 33 -2.410 -7.255 10.036 1.00 0.82 C ATOM 0 H THR A 33 -0.478 -5.016 8.888 1.00 0.48 H new ATOM 0 HA THR A 33 -3.078 -5.790 8.006 1.00 0.57 H new ATOM 0 HB THR A 33 -3.563 -5.551 10.542 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.715 -5.635 10.754 1.00 0.77 H new ATOM 0 HG21 THR A 33 -2.430 -7.668 11.045 1.00 0.82 H new ATOM 0 HG22 THR A 33 -3.218 -7.692 9.449 1.00 0.82 H new ATOM 0 HG23 THR A 33 -1.454 -7.489 9.567 1.00 0.82 H new ATOM 202 N LEU A 34 -4.568 -3.821 9.050 1.00 0.60 N ATOM 203 CA LEU A 34 -5.280 -2.611 9.424 1.00 0.64 C ATOM 204 C LEU A 34 -4.514 -1.937 10.565 1.00 0.58 C ATOM 205 O LEU A 34 -4.225 -0.748 10.556 1.00 0.59 O ATOM 206 CB LEU A 34 -6.712 -2.944 9.863 1.00 0.86 C ATOM 207 CG LEU A 34 -7.592 -1.727 10.196 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.777 -0.846 8.970 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.944 -2.173 10.733 1.00 1.46 C ATOM 0 H LEU A 34 -5.142 -4.664 9.019 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.343 -1.938 8.569 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -7.195 -3.516 9.071 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.666 -3.590 10.740 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.087 -1.145 10.967 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.402 0.009 9.227 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.805 -0.494 8.625 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -8.257 -1.421 8.178 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.551 -1.297 10.962 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.451 -2.780 9.983 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.799 -2.762 11.639 1.00 1.46 H new ATOM 221 N GLU A 35 -4.152 -2.805 11.525 1.00 0.65 N ATOM 222 CA GLU A 35 -3.449 -2.457 12.764 1.00 0.77 C ATOM 223 C GLU A 35 -2.200 -1.626 12.504 1.00 0.73 C ATOM 224 O GLU A 35 -1.965 -0.605 13.144 1.00 0.88 O ATOM 225 CB GLU A 35 -3.035 -3.749 13.476 1.00 0.94 C ATOM 226 CG GLU A 35 -2.348 -3.522 14.815 1.00 1.41 C ATOM 227 CD GLU A 35 -1.519 -4.714 15.257 1.00 1.91 C ATOM 228 OE1 GLU A 35 -2.030 -5.851 15.219 1.00 2.56 O ATOM 229 OE2 GLU A 35 -0.339 -4.512 15.625 1.00 2.34 O ATOM 0 H GLU A 35 -4.350 -3.803 11.454 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.128 -1.863 13.376 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -3.920 -4.366 13.633 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.365 -4.312 12.826 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -1.706 -2.644 14.745 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -3.101 -3.307 15.573 1.00 1.41 H new ATOM 236 N GLU A 36 -1.385 -2.132 11.582 1.00 0.63 N ATOM 237 CA GLU A 36 -0.070 -1.583 11.284 1.00 0.74 C ATOM 238 C GLU A 36 -0.162 -0.226 10.613 1.00 0.67 C ATOM 239 O GLU A 36 0.731 0.605 10.747 1.00 0.82 O ATOM 240 CB GLU A 36 0.675 -2.560 10.384 1.00 0.85 C ATOM 241 CG GLU A 36 1.190 -3.789 11.113 1.00 0.95 C ATOM 242 CD GLU A 36 1.607 -4.892 10.165 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.777 -4.920 9.743 1.00 1.76 O ATOM 244 OE2 GLU A 36 0.755 -5.747 9.839 1.00 1.67 O ATOM 0 H GLU A 36 -1.625 -2.945 11.015 1.00 0.63 H new ATOM 0 HA GLU A 36 0.467 -1.443 12.222 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.012 -2.877 9.579 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.516 -2.044 9.920 1.00 0.85 H new ATOM 0 HG2 GLU A 36 2.040 -3.509 11.736 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.414 -4.163 11.782 1.00 0.95 H new ATOM 251 N ILE A 37 -1.242 -0.030 9.873 1.00 0.52 N ATOM 252 CA ILE A 37 -1.467 1.208 9.143 1.00 0.50 C ATOM 253 C ILE A 37 -2.268 2.179 9.998 1.00 0.53 C ATOM 254 O ILE A 37 -2.104 3.394 9.905 1.00 0.72 O ATOM 255 CB ILE A 37 -2.196 0.931 7.817 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.381 -0.064 6.992 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.411 2.227 7.044 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.139 -0.669 5.832 1.00 0.72 C ATOM 0 H ILE A 37 -1.984 -0.721 9.762 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.501 1.657 8.913 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.176 0.502 8.026 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.493 0.439 6.609 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.037 -0.866 7.645 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -2.928 2.011 6.109 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.013 2.912 7.642 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.446 2.686 6.828 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.492 -1.364 5.297 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.013 -1.202 6.207 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.460 0.122 5.155 1.00 0.72 H new ATOM 270 N GLN A 38 -3.115 1.623 10.850 1.00 0.48 N ATOM 271 CA GLN A 38 -3.844 2.397 11.841 1.00 0.52 C ATOM 272 C GLN A 38 -2.847 3.069 12.781 1.00 0.54 C ATOM 273 O GLN A 38 -2.994 4.230 13.161 1.00 0.64 O ATOM 274 CB GLN A 38 -4.769 1.466 12.634 1.00 0.56 C ATOM 275 CG GLN A 38 -5.828 2.189 13.448 1.00 0.78 C ATOM 276 CD GLN A 38 -6.854 2.886 12.578 1.00 0.72 C ATOM 277 OE1 GLN A 38 -7.882 2.310 12.230 1.00 1.11 O ATOM 278 NE2 GLN A 38 -6.577 4.130 12.212 1.00 0.74 N ATOM 0 H GLN A 38 -3.316 0.623 10.874 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.446 3.160 11.348 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.262 0.784 11.941 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -4.164 0.856 13.305 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.333 1.474 14.098 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -5.346 2.923 14.095 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -5.712 4.572 12.523 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -7.229 4.645 11.620 1.00 0.74 H new ATOM 287 N LYS A 39 -1.810 2.298 13.127 1.00 0.54 N ATOM 288 CA LYS A 39 -0.777 2.713 14.064 1.00 0.62 C ATOM 289 C LYS A 39 0.102 3.788 13.438 1.00 0.58 C ATOM 290 O LYS A 39 0.946 4.385 14.103 1.00 0.66 O ATOM 291 CB LYS A 39 0.075 1.494 14.448 1.00 0.77 C ATOM 292 CG LYS A 39 0.321 1.365 15.943 1.00 1.28 C ATOM 293 CD LYS A 39 1.133 0.124 16.288 1.00 1.57 C ATOM 294 CE LYS A 39 0.278 -1.129 16.193 1.00 2.08 C ATOM 295 NZ LYS A 39 1.061 -2.379 16.405 1.00 2.52 N ATOM 0 H LYS A 39 -1.669 1.358 12.756 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.245 3.127 14.957 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.419 0.590 14.091 1.00 0.77 H new ATOM 0 HB3 LYS A 39 1.035 1.557 13.935 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.845 2.251 16.301 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.635 1.328 16.465 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.983 0.041 15.611 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.537 0.218 17.296 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -0.520 -1.076 16.933 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -0.198 -1.165 15.213 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 0.600 -3.166 15.906 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 2.025 -2.252 16.035 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 1.106 -2.592 17.422 1.00 2.52 H new ATOM 309 N HIS A 40 -0.092 3.996 12.141 1.00 0.53 N ATOM 310 CA HIS A 40 0.702 4.941 11.380 1.00 0.56 C ATOM 311 C HIS A 40 -0.163 6.072 10.856 1.00 0.65 C ATOM 312 O HIS A 40 0.156 6.700 9.849 1.00 0.93 O ATOM 313 CB HIS A 40 1.421 4.231 10.235 1.00 0.56 C ATOM 314 CG HIS A 40 2.616 3.452 10.689 1.00 0.93 C ATOM 315 ND1 HIS A 40 3.033 2.291 10.087 1.00 1.08 N ATOM 316 CD2 HIS A 40 3.490 3.686 11.692 1.00 1.39 C ATOM 317 CE1 HIS A 40 4.117 1.846 10.693 1.00 1.59 C ATOM 318 NE2 HIS A 40 4.416 2.674 11.674 1.00 1.80 N ATOM 0 H HIS A 40 -0.804 3.513 11.592 1.00 0.53 H new ATOM 0 HA HIS A 40 1.453 5.372 12.042 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.723 3.558 9.737 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.734 4.969 9.497 1.00 0.56 H new ATOM 0 HD1 HIS A 40 2.575 1.842 9.294 1.00 1.08 H new ATOM 0 HD2 HIS A 40 3.464 4.517 12.381 1.00 1.39 H new ATOM 0 HE1 HIS A 40 4.666 0.954 10.430 1.00 1.59 H new ATOM 327 N ASN A 41 -1.271 6.304 11.535 1.00 0.56 N ATOM 328 CA ASN A 41 -2.029 7.521 11.353 1.00 0.64 C ATOM 329 C ASN A 41 -2.131 8.208 12.692 1.00 0.82 C ATOM 330 O ASN A 41 -2.938 7.822 13.535 1.00 1.20 O ATOM 331 CB ASN A 41 -3.422 7.300 10.763 1.00 0.69 C ATOM 332 CG ASN A 41 -4.208 8.595 10.645 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.636 9.664 10.433 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.521 8.519 10.794 1.00 1.74 N ATOM 0 H ASN A 41 -1.665 5.660 12.221 1.00 0.56 H new ATOM 0 HA ASN A 41 -1.502 8.137 10.625 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -3.329 6.843 9.778 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -3.973 6.599 11.390 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.091 9.363 10.734 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -5.963 7.617 10.969 1.00 1.74 H new ATOM 341 N HIS A 42 -1.288 9.190 12.905 1.00 0.73 N ATOM 342 CA HIS A 42 -1.298 9.925 14.155 1.00 0.97 C ATOM 343 C HIS A 42 -0.984 11.397 13.924 1.00 1.06 C ATOM 344 O HIS A 42 -1.782 12.270 14.282 1.00 1.54 O ATOM 345 CB HIS A 42 -0.328 9.293 15.173 1.00 1.05 C ATOM 346 CG HIS A 42 0.999 8.860 14.619 1.00 0.90 C ATOM 347 ND1 HIS A 42 2.141 9.623 14.700 1.00 0.81 N ATOM 348 CD2 HIS A 42 1.364 7.712 14.000 1.00 1.14 C ATOM 349 CE1 HIS A 42 3.141 8.968 14.153 1.00 0.87 C ATOM 350 NE2 HIS A 42 2.704 7.801 13.727 1.00 1.08 N ATOM 0 H HIS A 42 -0.586 9.501 12.233 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.302 9.866 14.576 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.151 10.011 15.974 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -0.814 8.427 15.623 1.00 1.05 H new ATOM 0 HD1 HIS A 42 2.202 10.551 15.119 1.00 0.81 H new ATOM 0 HD2 HIS A 42 0.718 6.879 13.765 1.00 1.14 H new ATOM 0 HE1 HIS A 42 4.156 9.328 14.067 1.00 0.87 H new ATOM 359 N SER A 43 0.155 11.658 13.293 1.00 1.01 N ATOM 360 CA SER A 43 0.644 13.018 13.087 1.00 1.12 C ATOM 361 C SER A 43 1.886 12.993 12.194 1.00 0.97 C ATOM 362 O SER A 43 1.837 13.316 11.011 1.00 1.05 O ATOM 363 CB SER A 43 0.968 13.664 14.440 1.00 1.34 C ATOM 364 OG SER A 43 1.766 12.805 15.244 1.00 2.00 O ATOM 0 H SER A 43 0.765 10.936 12.910 1.00 1.01 H new ATOM 0 HA SER A 43 -0.128 13.609 12.594 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.492 14.606 14.279 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.042 13.900 14.964 1.00 1.34 H new ATOM 0 HG SER A 43 1.958 13.243 16.099 1.00 2.00 H new ATOM 370 N LYS A 44 2.999 12.572 12.807 1.00 0.89 N ATOM 371 CA LYS A 44 4.306 12.476 12.152 1.00 0.89 C ATOM 372 C LYS A 44 4.228 11.594 10.919 1.00 0.77 C ATOM 373 O LYS A 44 4.827 11.887 9.890 1.00 0.94 O ATOM 374 CB LYS A 44 5.323 11.884 13.131 1.00 1.01 C ATOM 375 CG LYS A 44 6.770 12.139 12.739 1.00 1.53 C ATOM 376 CD LYS A 44 7.129 13.600 12.930 1.00 2.16 C ATOM 377 CE LYS A 44 8.576 13.880 12.580 1.00 2.63 C ATOM 378 NZ LYS A 44 8.970 15.263 12.956 1.00 3.26 N ATOM 0 H LYS A 44 3.016 12.285 13.786 1.00 0.89 H new ATOM 0 HA LYS A 44 4.615 13.476 11.848 1.00 0.89 H new ATOM 0 HB2 LYS A 44 5.145 12.302 14.122 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.160 10.809 13.204 1.00 1.01 H new ATOM 0 HG2 LYS A 44 7.430 11.516 13.342 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.925 11.854 11.698 1.00 1.53 H new ATOM 0 HD2 LYS A 44 6.480 14.217 12.309 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.945 13.886 13.966 1.00 2.16 H new ATOM 0 HE2 LYS A 44 9.220 13.165 13.092 1.00 2.63 H new ATOM 0 HE3 LYS A 44 8.727 13.736 11.510 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 9.966 15.421 12.703 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 8.371 15.945 12.448 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 8.849 15.392 13.981 1.00 3.26 H new ATOM 392 N SER A 45 3.523 10.483 11.058 1.00 0.63 N ATOM 393 CA SER A 45 3.227 9.627 9.934 1.00 0.62 C ATOM 394 C SER A 45 1.728 9.602 9.711 1.00 0.65 C ATOM 395 O SER A 45 0.955 9.559 10.679 1.00 1.05 O ATOM 396 CB SER A 45 3.775 8.208 10.142 1.00 0.65 C ATOM 397 OG SER A 45 3.520 7.377 9.025 1.00 1.31 O ATOM 0 H SER A 45 3.145 10.156 11.947 1.00 0.63 H new ATOM 0 HA SER A 45 3.720 10.028 9.049 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.849 8.256 10.322 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.322 7.770 11.032 1.00 0.65 H new ATOM 0 HG SER A 45 3.884 6.483 9.193 1.00 1.31 H new ATOM 403 N THR A 46 1.330 9.647 8.445 1.00 0.43 N ATOM 404 CA THR A 46 -0.067 9.591 8.068 1.00 0.42 C ATOM 405 C THR A 46 -0.216 8.765 6.791 1.00 0.39 C ATOM 406 O THR A 46 -0.045 9.276 5.682 1.00 0.47 O ATOM 407 CB THR A 46 -0.639 11.014 7.851 1.00 0.51 C ATOM 408 OG1 THR A 46 -0.367 11.831 9.000 1.00 0.77 O ATOM 409 CG2 THR A 46 -2.140 10.980 7.605 1.00 0.64 C ATOM 0 H THR A 46 1.971 9.723 7.655 1.00 0.43 H new ATOM 0 HA THR A 46 -0.629 9.121 8.875 1.00 0.42 H new ATOM 0 HB THR A 46 -0.155 11.435 6.970 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.730 12.730 8.856 1.00 0.77 H new ATOM 0 HG21 THR A 46 -2.508 11.995 7.457 1.00 0.64 H new ATOM 0 HG22 THR A 46 -2.350 10.385 6.716 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.640 10.535 8.466 1.00 0.64 H new ATOM 417 N TRP A 47 -0.475 7.473 6.951 1.00 0.37 N ATOM 418 CA TRP A 47 -0.727 6.602 5.810 1.00 0.36 C ATOM 419 C TRP A 47 -2.202 6.594 5.462 1.00 0.37 C ATOM 420 O TRP A 47 -3.007 7.213 6.148 1.00 0.50 O ATOM 421 CB TRP A 47 -0.264 5.172 6.083 1.00 0.37 C ATOM 422 CG TRP A 47 1.219 4.991 6.045 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.151 5.921 5.694 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.942 3.794 6.360 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.409 5.376 5.767 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.309 4.071 6.173 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.566 2.513 6.775 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.299 3.118 6.399 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.546 1.570 6.997 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.898 1.872 6.807 1.00 0.47 C ATOM 0 H TRP A 47 -0.516 7.006 7.857 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.156 6.997 4.970 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.632 4.864 7.062 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.719 4.508 5.348 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.932 6.937 5.401 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.279 5.864 5.553 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.524 2.267 6.919 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.344 3.352 6.258 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 2.265 0.580 7.324 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.641 1.109 6.985 1.00 0.47 H new ATOM 441 N LEU A 48 -2.556 5.887 4.402 1.00 0.31 N ATOM 442 CA LEU A 48 -3.957 5.705 4.049 1.00 0.31 C ATOM 443 C LEU A 48 -4.141 4.423 3.256 1.00 0.28 C ATOM 444 O LEU A 48 -3.194 3.921 2.664 1.00 0.29 O ATOM 445 CB LEU A 48 -4.540 6.920 3.283 1.00 0.37 C ATOM 446 CG LEU A 48 -3.935 7.268 1.907 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.661 8.463 1.314 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.451 7.580 2.005 1.00 0.55 C ATOM 0 H LEU A 48 -1.897 5.430 3.772 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.517 5.627 4.981 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.607 6.746 3.144 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.441 7.797 3.923 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.056 6.396 1.264 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.230 8.705 0.342 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.717 8.224 1.193 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -4.557 9.319 1.980 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.063 7.820 1.015 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.301 8.431 2.669 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.922 6.713 2.401 1.00 0.55 H new ATOM 460 N ILE A 49 -5.343 3.877 3.267 1.00 0.34 N ATOM 461 CA ILE A 49 -5.633 2.673 2.504 1.00 0.36 C ATOM 462 C ILE A 49 -6.664 2.974 1.431 1.00 0.42 C ATOM 463 O ILE A 49 -7.759 3.443 1.721 1.00 0.65 O ATOM 464 CB ILE A 49 -6.152 1.541 3.406 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.145 1.276 4.529 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.394 0.283 2.581 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.647 0.322 5.592 1.00 0.46 C ATOM 0 H ILE A 49 -6.134 4.246 3.794 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.702 2.343 2.043 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.100 1.839 3.854 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.230 0.872 4.095 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -4.883 2.224 5.000 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.761 -0.512 3.230 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.134 0.492 1.808 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.460 -0.031 2.115 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -4.877 0.186 6.351 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.545 0.732 6.055 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -5.881 -0.640 5.136 1.00 0.46 H new ATOM 479 N LEU A 50 -6.310 2.733 0.186 1.00 0.41 N ATOM 480 CA LEU A 50 -7.195 3.070 -0.913 1.00 0.53 C ATOM 481 C LEU A 50 -7.883 1.823 -1.449 1.00 0.78 C ATOM 482 O LEU A 50 -8.820 1.314 -0.839 1.00 1.77 O ATOM 483 CB LEU A 50 -6.434 3.837 -2.010 1.00 0.49 C ATOM 484 CG LEU A 50 -6.128 5.312 -1.697 1.00 0.49 C ATOM 485 CD1 LEU A 50 -7.408 6.128 -1.691 1.00 0.93 C ATOM 486 CD2 LEU A 50 -5.415 5.450 -0.367 1.00 0.99 C ATOM 0 H LEU A 50 -5.424 2.309 -0.091 1.00 0.41 H new ATOM 0 HA LEU A 50 -7.977 3.734 -0.545 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.493 3.322 -2.203 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.016 3.792 -2.930 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.470 5.692 -2.478 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -7.175 7.169 -1.468 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -7.885 6.064 -2.669 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -8.085 5.737 -0.931 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -5.211 6.503 -0.171 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -6.045 5.049 0.427 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -4.476 4.898 -0.399 1.00 0.99 H new ATOM 498 N HIS A 51 -7.397 1.301 -2.559 1.00 0.67 N ATOM 499 CA HIS A 51 -8.009 0.123 -3.169 1.00 0.73 C ATOM 500 C HIS A 51 -7.376 -1.165 -2.636 1.00 0.82 C ATOM 501 O HIS A 51 -6.766 -1.910 -3.396 1.00 1.80 O ATOM 502 CB HIS A 51 -7.903 0.201 -4.697 1.00 0.79 C ATOM 503 CG HIS A 51 -8.946 1.094 -5.309 1.00 1.23 C ATOM 504 ND1 HIS A 51 -9.626 0.784 -6.466 1.00 1.87 N ATOM 505 CD2 HIS A 51 -9.444 2.287 -4.899 1.00 1.56 C ATOM 506 CE1 HIS A 51 -10.489 1.744 -6.738 1.00 2.45 C ATOM 507 NE2 HIS A 51 -10.406 2.669 -5.804 1.00 2.30 N ATOM 0 H HIS A 51 -6.586 1.667 -3.058 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.065 0.104 -2.899 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -6.913 0.567 -4.970 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -7.999 -0.801 -5.115 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.140 2.837 -4.021 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -11.155 1.768 -7.588 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -10.961 3.524 -5.760 1.00 2.30 H new ATOM 516 N HIS A 52 -7.512 -1.402 -1.326 1.00 0.46 N ATOM 517 CA HIS A 52 -6.909 -2.579 -0.658 1.00 0.42 C ATOM 518 C HIS A 52 -5.391 -2.438 -0.555 1.00 0.43 C ATOM 519 O HIS A 52 -4.692 -3.354 -0.126 1.00 0.81 O ATOM 520 CB HIS A 52 -7.258 -3.884 -1.386 1.00 0.58 C ATOM 521 CG HIS A 52 -8.682 -4.302 -1.219 1.00 1.12 C ATOM 522 ND1 HIS A 52 -9.379 -4.993 -2.181 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.536 -4.154 -0.175 1.00 1.81 C ATOM 524 CE1 HIS A 52 -10.594 -5.251 -1.738 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.717 -4.755 -0.524 1.00 2.36 N ATOM 0 H HIS A 52 -8.037 -0.794 -0.697 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.329 -2.621 0.347 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -7.046 -3.765 -2.448 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.610 -4.679 -1.019 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -9.324 -3.655 0.759 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -11.362 -5.782 -2.281 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -11.552 -4.809 0.059 1.00 2.36 H new ATOM 534 N LYS A 53 -4.894 -1.283 -0.961 1.00 0.33 N ATOM 535 CA LYS A 53 -3.470 -1.003 -0.916 1.00 0.36 C ATOM 536 C LYS A 53 -3.209 0.182 -0.001 1.00 0.29 C ATOM 537 O LYS A 53 -3.988 1.140 0.014 1.00 0.32 O ATOM 538 CB LYS A 53 -2.914 -0.722 -2.320 1.00 0.45 C ATOM 539 CG LYS A 53 -3.076 -1.882 -3.294 1.00 0.66 C ATOM 540 CD LYS A 53 -2.778 -1.456 -4.726 1.00 0.95 C ATOM 541 CE LYS A 53 -2.942 -2.612 -5.704 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.985 -3.722 -5.430 1.00 1.76 N ATOM 0 H LYS A 53 -5.461 -0.519 -1.328 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.959 -1.883 -0.524 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.415 0.155 -2.729 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.856 -0.475 -2.238 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.407 -2.694 -3.008 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -4.093 -2.270 -3.233 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.445 -0.642 -5.010 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.760 -1.070 -4.786 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -3.962 -2.992 -5.647 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -2.793 -2.249 -6.721 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -1.537 -4.021 -6.319 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -1.254 -3.394 -4.767 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -2.496 -4.526 -5.012 1.00 1.76 H new ATOM 556 N VAL A 54 -2.134 0.119 0.756 1.00 0.27 N ATOM 557 CA VAL A 54 -1.759 1.206 1.644 1.00 0.25 C ATOM 558 C VAL A 54 -0.859 2.208 0.906 1.00 0.23 C ATOM 559 O VAL A 54 0.015 1.818 0.129 1.00 0.25 O ATOM 560 CB VAL A 54 -1.042 0.673 2.906 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.137 -0.207 2.535 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.597 1.818 3.806 1.00 0.32 C ATOM 0 H VAL A 54 -1.498 -0.679 0.776 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.670 1.713 1.961 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.756 0.064 3.460 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.622 -0.567 3.442 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.213 -1.057 1.949 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.851 0.370 1.947 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.096 1.415 4.686 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.091 2.464 3.260 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.467 2.396 4.117 1.00 0.32 H new ATOM 572 N TYR A 55 -1.103 3.493 1.118 1.00 0.23 N ATOM 573 CA TYR A 55 -0.294 4.543 0.508 1.00 0.25 C ATOM 574 C TYR A 55 0.409 5.359 1.592 1.00 0.27 C ATOM 575 O TYR A 55 0.238 5.091 2.781 1.00 0.35 O ATOM 576 CB TYR A 55 -1.154 5.472 -0.364 1.00 0.27 C ATOM 577 CG TYR A 55 -1.783 4.810 -1.576 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.604 3.699 -1.439 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.571 5.311 -2.857 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.189 3.104 -2.535 1.00 0.77 C ATOM 581 CE2 TYR A 55 -2.162 4.722 -3.958 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.972 3.620 -3.790 1.00 0.42 C ATOM 583 OH TYR A 55 -3.569 3.029 -4.878 1.00 0.49 O ATOM 0 H TYR A 55 -1.858 3.837 1.711 1.00 0.23 H new ATOM 0 HA TYR A 55 0.450 4.066 -0.130 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.947 5.895 0.253 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.536 6.304 -0.702 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.787 3.294 -0.455 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.935 6.173 -2.992 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.817 2.234 -2.408 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.990 5.123 -4.946 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.317 3.513 -5.692 1.00 0.49 H new ATOM 593 N ASP A 56 1.152 6.374 1.178 1.00 0.34 N ATOM 594 CA ASP A 56 1.895 7.224 2.107 1.00 0.38 C ATOM 595 C ASP A 56 1.660 8.701 1.770 1.00 0.38 C ATOM 596 O ASP A 56 1.381 9.030 0.619 1.00 0.48 O ATOM 597 CB ASP A 56 3.394 6.877 2.051 1.00 0.47 C ATOM 598 CG ASP A 56 4.260 7.697 2.998 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.603 8.847 2.659 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.585 7.209 4.098 1.00 1.32 O ATOM 0 H ASP A 56 1.259 6.634 0.197 1.00 0.34 H new ATOM 0 HA ASP A 56 1.540 7.046 3.122 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.520 5.820 2.285 1.00 0.47 H new ATOM 0 HB3 ASP A 56 3.751 7.023 1.032 1.00 0.47 H new ATOM 605 N LEU A 57 1.744 9.589 2.758 1.00 0.37 N ATOM 606 CA LEU A 57 1.694 11.032 2.487 1.00 0.39 C ATOM 607 C LEU A 57 2.775 11.762 3.278 1.00 0.51 C ATOM 608 O LEU A 57 2.748 12.984 3.398 1.00 1.12 O ATOM 609 CB LEU A 57 0.347 11.651 2.876 1.00 0.45 C ATOM 610 CG LEU A 57 -0.912 10.874 2.488 1.00 0.53 C ATOM 611 CD1 LEU A 57 -2.118 11.412 3.234 1.00 1.35 C ATOM 612 CD2 LEU A 57 -1.149 10.964 0.987 1.00 1.27 C ATOM 0 H LEU A 57 1.846 9.344 3.743 1.00 0.37 H new ATOM 0 HA LEU A 57 1.847 11.144 1.414 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.338 11.792 3.957 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.286 12.641 2.425 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.767 9.829 2.761 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -3.005 10.848 2.946 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.956 11.312 4.307 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -2.260 12.464 2.985 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -2.048 10.406 0.727 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -1.274 12.008 0.700 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -0.295 10.542 0.458 1.00 1.27 H new ATOM 624 N THR A 58 3.719 11.023 3.832 1.00 0.54 N ATOM 625 CA THR A 58 4.740 11.634 4.658 1.00 0.56 C ATOM 626 C THR A 58 5.621 12.511 3.794 1.00 0.66 C ATOM 627 O THR A 58 6.111 12.055 2.761 1.00 1.15 O ATOM 628 CB THR A 58 5.590 10.592 5.408 1.00 0.65 C ATOM 629 OG1 THR A 58 6.273 9.728 4.487 1.00 1.43 O ATOM 630 CG2 THR A 58 4.710 9.769 6.333 1.00 1.12 C ATOM 0 H THR A 58 3.799 10.012 3.726 1.00 0.54 H new ATOM 0 HA THR A 58 4.242 12.237 5.417 1.00 0.56 H new ATOM 0 HB THR A 58 6.336 11.123 5.999 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.700 9.559 3.710 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.321 9.035 6.859 1.00 1.12 H new ATOM 0 HG22 THR A 58 4.229 10.426 7.057 1.00 1.12 H new ATOM 0 HG23 THR A 58 3.948 9.254 5.748 1.00 1.12 H new ATOM 638 N LYS A 59 5.794 13.769 4.226 1.00 0.57 N ATOM 639 CA LYS A 59 6.419 14.833 3.424 1.00 0.58 C ATOM 640 C LYS A 59 5.381 15.462 2.496 1.00 0.48 C ATOM 641 O LYS A 59 5.402 16.658 2.224 1.00 0.54 O ATOM 642 CB LYS A 59 7.618 14.316 2.614 1.00 0.69 C ATOM 643 CG LYS A 59 8.736 13.730 3.462 1.00 1.37 C ATOM 644 CD LYS A 59 9.789 13.048 2.600 1.00 1.96 C ATOM 645 CE LYS A 59 9.206 11.898 1.782 1.00 2.58 C ATOM 646 NZ LYS A 59 8.579 10.850 2.635 1.00 3.59 N ATOM 0 H LYS A 59 5.501 14.080 5.152 1.00 0.57 H new ATOM 0 HA LYS A 59 6.797 15.589 4.112 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.270 13.555 1.916 1.00 0.69 H new ATOM 0 HB3 LYS A 59 8.020 15.135 2.018 1.00 0.69 H new ATOM 0 HG2 LYS A 59 9.202 14.521 4.050 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.320 13.011 4.168 1.00 1.37 H new ATOM 0 HD2 LYS A 59 10.236 13.780 1.928 1.00 1.96 H new ATOM 0 HD3 LYS A 59 10.589 12.670 3.237 1.00 1.96 H new ATOM 0 HE2 LYS A 59 8.462 12.290 1.089 1.00 2.58 H new ATOM 0 HE3 LYS A 59 9.996 11.448 1.181 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 8.614 9.935 2.143 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 9.096 10.779 3.535 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 7.588 11.103 2.824 1.00 3.59 H new ATOM 660 N PHE A 60 4.450 14.620 2.045 1.00 0.40 N ATOM 661 CA PHE A 60 3.458 14.988 1.041 1.00 0.35 C ATOM 662 C PHE A 60 2.405 15.924 1.624 1.00 0.36 C ATOM 663 O PHE A 60 1.653 16.580 0.905 1.00 0.40 O ATOM 664 CB PHE A 60 2.804 13.720 0.471 1.00 0.37 C ATOM 665 CG PHE A 60 1.925 13.963 -0.724 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.457 14.461 -1.906 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.568 13.689 -0.667 1.00 1.62 C ATOM 668 CE1 PHE A 60 1.650 14.681 -3.008 1.00 1.72 C ATOM 669 CE2 PHE A 60 -0.241 13.909 -1.762 1.00 2.01 C ATOM 670 CZ PHE A 60 0.298 14.406 -2.935 1.00 1.72 C ATOM 0 H PHE A 60 4.365 13.657 2.370 1.00 0.40 H new ATOM 0 HA PHE A 60 3.961 15.522 0.235 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.587 13.014 0.194 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.211 13.247 1.254 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.513 14.679 -1.966 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.139 13.299 0.244 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.076 15.067 -3.923 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -1.298 13.693 -1.704 1.00 2.01 H new ATOM 0 HZ PHE A 60 -0.337 14.579 -3.792 1.00 1.72 H new ATOM 680 N LEU A 61 2.374 15.935 2.958 1.00 0.38 N ATOM 681 CA LEU A 61 1.360 16.621 3.756 1.00 0.44 C ATOM 682 C LEU A 61 1.304 18.119 3.470 1.00 0.47 C ATOM 683 O LEU A 61 0.313 18.774 3.783 1.00 0.60 O ATOM 684 CB LEU A 61 1.668 16.402 5.245 1.00 0.50 C ATOM 685 CG LEU A 61 1.745 14.937 5.696 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.159 14.850 7.155 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.412 14.232 5.482 1.00 0.61 C ATOM 0 H LEU A 61 3.072 15.454 3.526 1.00 0.38 H new ATOM 0 HA LEU A 61 0.389 16.203 3.489 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.617 16.885 5.477 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.902 16.905 5.834 1.00 0.50 H new ATOM 0 HG LEU A 61 2.499 14.436 5.089 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.208 13.804 7.457 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.138 15.311 7.284 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.428 15.372 7.772 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.492 13.195 5.809 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.363 14.736 6.060 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.152 14.259 4.424 1.00 0.61 H new ATOM 699 N GLU A 62 2.401 18.652 2.929 1.00 0.46 N ATOM 700 CA GLU A 62 2.540 20.087 2.686 1.00 0.55 C ATOM 701 C GLU A 62 2.375 20.401 1.198 1.00 0.53 C ATOM 702 O GLU A 62 2.118 21.536 0.800 1.00 0.72 O ATOM 703 CB GLU A 62 3.920 20.550 3.154 1.00 0.68 C ATOM 704 CG GLU A 62 4.366 19.905 4.454 1.00 0.99 C ATOM 705 CD GLU A 62 5.584 20.573 5.055 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.718 20.164 4.718 1.00 1.60 O ATOM 707 OE2 GLU A 62 5.418 21.510 5.858 1.00 1.62 O ATOM 0 H GLU A 62 3.214 18.103 2.649 1.00 0.46 H new ATOM 0 HA GLU A 62 1.763 20.613 3.242 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.652 20.328 2.377 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.908 21.633 3.280 1.00 0.68 H new ATOM 0 HG2 GLU A 62 3.546 19.941 5.172 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.586 18.853 4.275 1.00 0.99 H new ATOM 714 N GLU A 63 2.551 19.360 0.396 1.00 0.42 N ATOM 715 CA GLU A 63 2.598 19.465 -1.065 1.00 0.48 C ATOM 716 C GLU A 63 1.218 19.258 -1.674 1.00 0.46 C ATOM 717 O GLU A 63 0.948 19.682 -2.798 1.00 0.66 O ATOM 718 CB GLU A 63 3.536 18.394 -1.613 1.00 0.59 C ATOM 719 CG GLU A 63 4.982 18.537 -1.174 1.00 1.05 C ATOM 720 CD GLU A 63 5.765 19.496 -2.046 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.578 20.724 -1.891 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.572 19.033 -2.876 1.00 1.83 O ATOM 0 H GLU A 63 2.667 18.407 0.740 1.00 0.42 H new ATOM 0 HA GLU A 63 2.953 20.462 -1.326 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.170 17.415 -1.302 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.496 18.417 -2.702 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.011 18.885 -0.141 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.462 17.559 -1.195 1.00 1.05 H new ATOM 729 N HIS A 64 0.367 18.575 -0.918 1.00 0.33 N ATOM 730 CA HIS A 64 -0.970 18.186 -1.373 1.00 0.32 C ATOM 731 C HIS A 64 -1.926 19.381 -1.360 1.00 0.42 C ATOM 732 O HIS A 64 -2.107 20.019 -0.326 1.00 0.52 O ATOM 733 CB HIS A 64 -1.476 17.053 -0.476 1.00 0.38 C ATOM 734 CG HIS A 64 -2.761 16.327 -0.847 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.819 16.156 0.022 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.098 15.697 -2.029 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.772 15.440 -0.609 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.366 15.154 -1.844 1.00 0.36 N ATOM 0 H HIS A 64 0.582 18.272 0.032 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.922 17.837 -2.404 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.684 16.306 -0.413 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.608 17.462 0.526 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.495 15.637 -2.923 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.718 15.145 -0.179 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.895 14.626 -2.538 1.00 0.36 H new ATOM 746 N PRO A 65 -2.540 19.692 -2.526 1.00 0.51 N ATOM 747 CA PRO A 65 -3.442 20.851 -2.700 1.00 0.73 C ATOM 748 C PRO A 65 -4.625 20.846 -1.733 1.00 0.90 C ATOM 749 O PRO A 65 -5.542 20.039 -1.887 1.00 1.46 O ATOM 750 CB PRO A 65 -3.946 20.704 -4.138 1.00 0.96 C ATOM 751 CG PRO A 65 -2.939 19.849 -4.818 1.00 0.81 C ATOM 752 CD PRO A 65 -2.405 18.919 -3.772 1.00 0.55 C ATOM 0 HA PRO A 65 -2.919 21.786 -2.500 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.934 20.245 -4.164 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.033 21.675 -4.626 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -3.391 19.293 -5.639 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.140 20.454 -5.245 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.974 17.990 -3.732 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.367 18.649 -3.967 1.00 0.55 H new ATOM 760 N GLY A 66 -4.619 21.751 -0.760 1.00 1.08 N ATOM 761 CA GLY A 66 -5.713 21.814 0.189 1.00 1.38 C ATOM 762 C GLY A 66 -5.882 20.515 0.942 1.00 1.38 C ATOM 763 O GLY A 66 -6.968 19.928 0.960 1.00 2.03 O ATOM 0 H GLY A 66 -3.880 22.438 -0.613 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -5.533 22.623 0.897 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.637 22.051 -0.338 1.00 1.38 H new ATOM 767 N GLY A 67 -4.800 20.064 1.553 1.00 1.25 N ATOM 768 CA GLY A 67 -4.835 18.822 2.282 1.00 1.70 C ATOM 769 C GLY A 67 -3.846 18.795 3.419 1.00 1.24 C ATOM 770 O GLY A 67 -2.698 19.194 3.257 1.00 1.66 O ATOM 0 H GLY A 67 -3.897 20.539 1.556 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -5.839 18.662 2.674 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -4.624 17.998 1.601 1.00 1.70 H new ATOM 774 N GLU A 68 -4.321 18.344 4.572 1.00 1.38 N ATOM 775 CA GLU A 68 -3.506 18.185 5.772 1.00 1.18 C ATOM 776 C GLU A 68 -4.402 17.668 6.893 1.00 0.94 C ATOM 777 O GLU A 68 -4.426 16.481 7.212 1.00 0.98 O ATOM 778 CB GLU A 68 -2.852 19.512 6.190 1.00 1.50 C ATOM 779 CG GLU A 68 -1.960 19.377 7.415 1.00 1.48 C ATOM 780 CD GLU A 68 -1.519 20.710 7.975 1.00 2.09 C ATOM 781 OE1 GLU A 68 -2.374 21.442 8.522 1.00 2.25 O ATOM 782 OE2 GLU A 68 -0.314 21.021 7.900 1.00 2.88 O ATOM 0 H GLU A 68 -5.296 18.074 4.703 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.702 17.478 5.566 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.262 19.897 5.359 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.631 20.246 6.394 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.494 18.824 8.187 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.080 18.790 7.154 1.00 1.48 H new ATOM 789 N GLU A 69 -5.180 18.599 7.437 1.00 0.91 N ATOM 790 CA GLU A 69 -6.159 18.330 8.485 1.00 0.84 C ATOM 791 C GLU A 69 -7.219 17.355 7.988 1.00 0.75 C ATOM 792 O GLU A 69 -7.541 16.378 8.651 1.00 0.78 O ATOM 793 CB GLU A 69 -6.816 19.657 8.879 1.00 0.97 C ATOM 794 CG GLU A 69 -7.834 19.551 10.002 1.00 1.64 C ATOM 795 CD GLU A 69 -8.666 20.807 10.135 1.00 1.97 C ATOM 796 OE1 GLU A 69 -9.695 20.921 9.438 1.00 2.63 O ATOM 797 OE2 GLU A 69 -8.291 21.687 10.937 1.00 2.27 O ATOM 0 H GLU A 69 -5.147 19.579 7.157 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.663 17.881 9.346 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -6.037 20.358 9.178 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -7.306 20.079 8.001 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -8.490 18.700 9.817 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.317 19.357 10.942 1.00 1.64 H new ATOM 804 N VAL A 70 -7.740 17.635 6.798 1.00 0.79 N ATOM 805 CA VAL A 70 -8.841 16.859 6.222 1.00 0.86 C ATOM 806 C VAL A 70 -8.347 15.595 5.522 1.00 0.82 C ATOM 807 O VAL A 70 -9.103 14.945 4.808 1.00 1.01 O ATOM 808 CB VAL A 70 -9.671 17.705 5.232 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.471 18.765 5.972 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.776 18.349 4.180 1.00 1.41 C ATOM 0 H VAL A 70 -7.416 18.400 6.206 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.476 16.564 7.057 1.00 0.86 H new ATOM 0 HB VAL A 70 -10.368 17.039 4.723 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -11.049 19.350 5.257 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -11.148 18.283 6.678 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -9.791 19.423 6.513 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.386 18.939 3.496 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -8.048 18.997 4.669 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.253 17.572 3.622 1.00 1.41 H new ATOM 820 N LEU A 71 -7.078 15.259 5.727 1.00 0.72 N ATOM 821 CA LEU A 71 -6.543 13.990 5.246 1.00 0.74 C ATOM 822 C LEU A 71 -6.718 12.936 6.330 1.00 0.70 C ATOM 823 O LEU A 71 -7.095 11.797 6.065 1.00 0.77 O ATOM 824 CB LEU A 71 -5.050 14.113 4.898 1.00 0.84 C ATOM 825 CG LEU A 71 -4.709 15.154 3.833 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.218 15.137 3.522 1.00 1.62 C ATOM 827 CD2 LEU A 71 -5.523 14.907 2.575 1.00 1.69 C ATOM 0 H LEU A 71 -6.404 15.844 6.220 1.00 0.72 H new ATOM 0 HA LEU A 71 -7.084 13.705 4.344 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.501 14.356 5.808 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.692 13.141 4.559 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.962 16.141 4.220 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.996 15.886 2.761 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.655 15.362 4.428 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.934 14.151 3.154 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.270 15.656 1.825 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -5.299 13.914 2.186 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -6.585 14.974 2.810 1.00 1.69 H new ATOM 839 N ARG A 72 -6.464 13.372 7.547 1.00 0.70 N ATOM 840 CA ARG A 72 -6.438 12.534 8.727 1.00 0.78 C ATOM 841 C ARG A 72 -7.664 11.624 8.831 1.00 0.92 C ATOM 842 O ARG A 72 -7.571 10.422 9.077 1.00 1.03 O ATOM 843 CB ARG A 72 -6.338 13.432 9.947 1.00 0.77 C ATOM 844 CG ARG A 72 -5.627 12.829 11.136 1.00 1.42 C ATOM 845 CD ARG A 72 -5.435 13.876 12.211 1.00 1.49 C ATOM 846 NE ARG A 72 -4.643 13.371 13.321 1.00 2.11 N ATOM 847 CZ ARG A 72 -5.130 13.191 14.541 1.00 2.48 C ATOM 848 NH1 ARG A 72 -6.410 13.451 14.787 1.00 2.24 N ATOM 849 NH2 ARG A 72 -4.346 12.739 15.506 1.00 3.47 N ATOM 0 H ARG A 72 -6.263 14.352 7.748 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.574 11.873 8.662 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.821 14.348 9.662 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -7.345 13.716 10.252 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -6.205 11.993 11.530 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.660 12.431 10.828 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -4.945 14.751 11.783 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -6.408 14.203 12.578 1.00 1.49 H new ATOM 0 HE ARG A 72 -3.663 13.144 13.153 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -7.015 13.788 14.038 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -6.787 13.313 15.725 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -3.367 12.529 15.311 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -4.721 12.601 16.445 1.00 3.47 H new ATOM 863 N GLU A 73 -8.816 12.281 8.593 1.00 1.13 N ATOM 864 CA GLU A 73 -10.146 11.681 8.728 1.00 1.55 C ATOM 865 C GLU A 73 -10.273 10.350 7.993 1.00 1.28 C ATOM 866 O GLU A 73 -10.859 9.406 8.507 1.00 1.60 O ATOM 867 CB GLU A 73 -11.159 12.682 8.166 1.00 1.97 C ATOM 868 CG GLU A 73 -12.601 12.201 8.142 1.00 2.63 C ATOM 869 CD GLU A 73 -13.217 12.076 9.521 1.00 3.18 C ATOM 870 OE1 GLU A 73 -13.512 13.117 10.142 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.370 10.936 10.007 1.00 3.65 O ATOM 0 H GLU A 73 -8.843 13.257 8.298 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.328 11.467 9.781 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -11.108 13.596 8.757 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.863 12.942 7.150 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -13.197 12.893 7.547 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.645 11.233 7.643 1.00 2.63 H new ATOM 878 N GLN A 74 -9.718 10.299 6.786 1.00 0.77 N ATOM 879 CA GLN A 74 -9.860 9.139 5.910 1.00 0.62 C ATOM 880 C GLN A 74 -8.574 8.321 5.897 1.00 0.56 C ATOM 881 O GLN A 74 -8.507 7.249 5.298 1.00 0.64 O ATOM 882 CB GLN A 74 -10.186 9.610 4.489 1.00 0.63 C ATOM 883 CG GLN A 74 -11.475 10.418 4.381 1.00 0.76 C ATOM 884 CD GLN A 74 -12.717 9.615 4.745 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.685 8.309 4.497 1.00 1.57 O flip ATOM 886 NE2 GLN A 74 -13.699 10.168 5.243 1.00 1.68 N flip ATOM 0 H GLN A 74 -9.160 11.055 6.389 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.669 8.511 6.284 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.358 10.215 4.120 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -10.260 8.739 3.837 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.407 11.287 5.035 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.578 10.792 3.362 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -13.684 11.173 5.418 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -14.527 9.621 5.480 1.00 1.68 H new ATOM 895 N ALA A 75 -7.555 8.853 6.559 1.00 0.55 N ATOM 896 CA ALA A 75 -6.239 8.240 6.574 1.00 0.58 C ATOM 897 C ALA A 75 -6.147 7.175 7.656 1.00 0.52 C ATOM 898 O ALA A 75 -6.910 7.189 8.619 1.00 0.70 O ATOM 899 CB ALA A 75 -5.170 9.296 6.787 1.00 0.70 C ATOM 0 H ALA A 75 -7.619 9.717 7.097 1.00 0.55 H new ATOM 0 HA ALA A 75 -6.077 7.761 5.609 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -4.188 8.823 6.796 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -5.214 10.026 5.979 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.340 9.798 7.739 1.00 0.70 H new ATOM 905 N GLY A 76 -5.204 6.259 7.488 1.00 0.49 N ATOM 906 CA GLY A 76 -5.048 5.159 8.417 1.00 0.58 C ATOM 907 C GLY A 76 -5.918 3.984 8.043 1.00 0.48 C ATOM 908 O GLY A 76 -5.583 2.838 8.330 1.00 0.72 O ATOM 0 H GLY A 76 -4.538 6.259 6.716 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.004 4.846 8.439 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.301 5.494 9.423 1.00 0.58 H new ATOM 912 N GLY A 77 -7.036 4.280 7.392 1.00 0.42 N ATOM 913 CA GLY A 77 -7.940 3.250 6.951 1.00 0.52 C ATOM 914 C GLY A 77 -8.481 3.541 5.568 1.00 0.44 C ATOM 915 O GLY A 77 -7.738 3.997 4.696 1.00 0.78 O ATOM 0 H GLY A 77 -7.330 5.229 7.162 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.424 2.290 6.946 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.767 3.164 7.656 1.00 0.52 H new ATOM 919 N ASP A 78 -9.769 3.295 5.366 1.00 0.55 N ATOM 920 CA ASP A 78 -10.376 3.443 4.049 1.00 0.72 C ATOM 921 C ASP A 78 -10.363 4.896 3.585 1.00 0.67 C ATOM 922 O ASP A 78 -11.140 5.718 4.072 1.00 1.04 O ATOM 923 CB ASP A 78 -11.813 2.906 4.025 1.00 1.14 C ATOM 924 CG ASP A 78 -11.916 1.471 4.492 1.00 1.82 C ATOM 925 OD1 ASP A 78 -12.075 1.246 5.708 1.00 2.59 O ATOM 926 OD2 ASP A 78 -11.842 0.562 3.631 1.00 2.28 O ATOM 0 H ASP A 78 -10.413 2.992 6.096 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.772 2.852 3.360 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -12.440 3.534 4.658 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -12.206 2.981 3.011 1.00 1.14 H new ATOM 931 N ALA A 79 -9.493 5.208 2.643 1.00 0.54 N ATOM 932 CA ALA A 79 -9.488 6.520 2.017 1.00 0.58 C ATOM 933 C ALA A 79 -10.198 6.446 0.672 1.00 0.56 C ATOM 934 O ALA A 79 -10.584 7.460 0.088 1.00 0.67 O ATOM 935 CB ALA A 79 -8.068 7.024 1.850 1.00 0.73 C ATOM 0 H ALA A 79 -8.778 4.570 2.293 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.019 7.224 2.657 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -8.084 8.007 1.380 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -7.590 7.097 2.827 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -7.507 6.331 1.223 1.00 0.73 H new ATOM 941 N THR A 80 -10.410 5.211 0.217 1.00 0.54 N ATOM 942 CA THR A 80 -11.018 4.942 -1.081 1.00 0.60 C ATOM 943 C THR A 80 -12.449 5.484 -1.156 1.00 0.65 C ATOM 944 O THR A 80 -13.008 5.615 -2.240 1.00 0.84 O ATOM 945 CB THR A 80 -11.010 3.423 -1.375 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.457 3.159 -2.710 1.00 0.84 O ATOM 947 CG2 THR A 80 -11.872 2.656 -0.379 1.00 0.70 C ATOM 0 H THR A 80 -10.164 4.370 0.740 1.00 0.54 H new ATOM 0 HA THR A 80 -10.424 5.457 -1.836 1.00 0.60 H new ATOM 0 HB THR A 80 -9.981 3.080 -1.272 1.00 0.66 H new ATOM 0 HG1 THR A 80 -11.898 3.956 -3.071 1.00 0.84 H new ATOM 0 HG21 THR A 80 -11.843 1.592 -0.616 1.00 0.70 H new ATOM 0 HG22 THR A 80 -11.490 2.814 0.630 1.00 0.70 H new ATOM 0 HG23 THR A 80 -12.900 3.013 -0.437 1.00 0.70 H new ATOM 955 N GLU A 81 -13.004 5.824 0.006 1.00 0.65 N ATOM 956 CA GLU A 81 -14.369 6.351 0.130 1.00 0.79 C ATOM 957 C GLU A 81 -14.641 7.421 -0.926 1.00 0.85 C ATOM 958 O GLU A 81 -15.582 7.334 -1.712 1.00 0.98 O ATOM 959 CB GLU A 81 -14.529 6.967 1.525 1.00 0.91 C ATOM 960 CG GLU A 81 -15.967 7.110 1.995 1.00 1.54 C ATOM 961 CD GLU A 81 -16.478 5.854 2.670 1.00 1.82 C ATOM 962 OE1 GLU A 81 -16.283 5.706 3.899 1.00 2.27 O ATOM 963 OE2 GLU A 81 -17.070 5.009 1.980 1.00 2.27 O ATOM 0 H GLU A 81 -12.517 5.742 0.899 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.078 5.536 -0.017 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -13.986 6.353 2.243 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.060 7.951 1.529 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.039 7.948 2.689 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -16.604 7.347 1.143 1.00 1.54 H new ATOM 970 N ASN A 82 -13.768 8.420 -0.931 1.00 0.82 N ATOM 971 CA ASN A 82 -13.957 9.639 -1.719 1.00 0.90 C ATOM 972 C ASN A 82 -13.696 9.402 -3.196 1.00 0.94 C ATOM 973 O ASN A 82 -14.278 10.051 -4.061 1.00 1.09 O ATOM 974 CB ASN A 82 -13.012 10.726 -1.203 1.00 0.93 C ATOM 975 CG ASN A 82 -13.204 11.010 0.269 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.548 10.403 1.112 1.00 2.41 O ATOM 977 ND2 ASN A 82 -14.104 11.931 0.585 1.00 2.40 N ATOM 0 H ASN A 82 -12.905 8.411 -0.388 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.995 9.954 -1.609 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -11.981 10.420 -1.379 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -13.174 11.642 -1.770 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -14.276 12.162 1.564 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -14.625 12.409 -0.151 1.00 2.40 H new ATOM 984 N PHE A 83 -12.785 8.463 -3.452 1.00 0.85 N ATOM 985 CA PHE A 83 -12.279 8.190 -4.791 1.00 0.89 C ATOM 986 C PHE A 83 -13.366 7.566 -5.658 1.00 1.02 C ATOM 987 O PHE A 83 -13.378 7.729 -6.878 1.00 1.17 O ATOM 988 CB PHE A 83 -11.063 7.254 -4.693 1.00 0.81 C ATOM 989 CG PHE A 83 -10.311 7.070 -5.991 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.374 8.003 -6.406 1.00 0.97 C ATOM 991 CD2 PHE A 83 -10.544 5.963 -6.792 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.690 7.838 -7.596 1.00 1.06 C ATOM 993 CE2 PHE A 83 -9.865 5.793 -7.979 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.921 6.731 -8.376 1.00 1.13 C ATOM 0 H PHE A 83 -12.377 7.869 -2.730 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.975 9.127 -5.258 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.377 7.647 -3.942 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.398 6.279 -4.340 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.176 8.869 -5.792 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -11.268 5.224 -6.482 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.973 8.581 -7.913 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -10.067 4.932 -8.599 1.00 1.33 H new ATOM 0 HZ PHE A 83 -8.371 6.591 -9.295 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.272 6.844 -4.989 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.303 6.049 -5.649 1.00 1.14 C ATOM 1006 C GLU A 84 -16.495 6.906 -6.066 1.00 1.24 C ATOM 1007 O GLU A 84 -17.271 6.540 -6.950 1.00 1.46 O ATOM 1008 CB GLU A 84 -15.787 4.945 -4.705 1.00 1.20 C ATOM 1009 CG GLU A 84 -14.683 4.036 -4.190 1.00 1.33 C ATOM 1010 CD GLU A 84 -13.740 3.558 -5.279 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.154 2.727 -6.115 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -12.572 4.004 -5.286 1.00 2.19 O ATOM 0 H GLU A 84 -14.307 6.797 -3.971 1.00 1.00 H new ATOM 0 HA GLU A 84 -14.862 5.615 -6.546 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.290 5.405 -3.854 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.529 4.338 -5.224 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.110 4.567 -3.430 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.132 3.171 -3.703 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.642 8.032 -5.370 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.755 8.953 -5.577 1.00 1.34 C ATOM 1021 C ASP A 85 -17.418 9.946 -6.684 1.00 1.45 C ATOM 1022 O ASP A 85 -18.145 10.075 -7.666 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.064 9.699 -4.272 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.227 10.669 -4.398 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.297 10.257 -4.897 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.068 11.854 -4.025 1.00 1.81 O ATOM 0 H ASP A 85 -15.990 8.331 -4.645 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.635 8.384 -5.876 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.288 8.973 -3.490 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.176 10.246 -3.955 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.298 10.630 -6.499 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.736 11.540 -7.492 1.00 1.50 C ATOM 1033 C VAL A 86 -14.519 12.239 -6.894 1.00 1.26 C ATOM 1034 O VAL A 86 -14.628 13.016 -5.945 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.763 12.582 -8.022 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -17.355 13.432 -6.903 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -16.122 13.466 -9.082 1.00 2.64 C ATOM 0 H VAL A 86 -15.745 10.569 -5.644 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.444 10.944 -8.357 1.00 1.50 H new ATOM 0 HB VAL A 86 -17.586 12.025 -8.471 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -18.066 14.144 -7.324 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -17.867 12.787 -6.188 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -16.556 13.973 -6.396 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -16.853 14.190 -9.443 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -15.272 13.994 -8.650 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -15.782 12.849 -9.913 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.347 11.927 -7.409 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.150 12.492 -6.844 1.00 1.82 C ATOM 1049 C GLY A 87 -11.018 12.590 -7.835 1.00 1.46 C ATOM 1050 O GLY A 87 -10.763 11.651 -8.592 1.00 2.23 O ATOM 0 H GLY A 87 -13.203 11.299 -8.200 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.373 13.486 -6.456 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -11.832 11.883 -5.998 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.358 13.747 -7.829 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.133 13.962 -8.592 1.00 0.81 C ATOM 1056 C HIS A 88 -9.401 14.052 -10.088 1.00 0.89 C ATOM 1057 O HIS A 88 -10.543 14.009 -10.537 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.116 12.841 -8.319 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.679 12.752 -6.891 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.991 11.702 -6.026 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -6.920 13.606 -6.180 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.408 11.961 -4.837 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.758 13.092 -4.916 1.00 0.48 N ATOM 0 H HIS A 88 -10.659 14.562 -7.294 1.00 1.05 H new ATOM 0 HA HIS A 88 -8.720 14.915 -8.263 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.553 11.887 -8.615 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.240 12.998 -8.948 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -6.508 14.537 -6.541 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.469 11.334 -3.960 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -6.220 13.522 -4.164 1.00 0.48 H new ATOM 1071 N SER A 89 -8.326 14.209 -10.844 1.00 0.81 N ATOM 1072 CA SER A 89 -8.370 14.074 -12.285 1.00 1.00 C ATOM 1073 C SER A 89 -7.479 12.898 -12.668 1.00 1.00 C ATOM 1074 O SER A 89 -6.898 12.275 -11.772 1.00 1.43 O ATOM 1075 CB SER A 89 -7.899 15.352 -12.954 1.00 1.22 C ATOM 1076 OG SER A 89 -8.413 16.493 -12.291 1.00 1.06 O ATOM 0 H SER A 89 -7.402 14.433 -10.474 1.00 0.81 H new ATOM 0 HA SER A 89 -9.391 13.893 -12.620 1.00 1.00 H new ATOM 0 HB2 SER A 89 -6.810 15.387 -12.953 1.00 1.22 H new ATOM 0 HB3 SER A 89 -8.217 15.359 -13.997 1.00 1.22 H new ATOM 0 HG SER A 89 -8.094 17.304 -12.740 1.00 1.06 H new ATOM 1082 N THR A 90 -7.351 12.598 -13.958 1.00 1.14 N ATOM 1083 CA THR A 90 -6.444 11.541 -14.409 1.00 1.15 C ATOM 1084 C THR A 90 -4.995 11.971 -14.188 1.00 1.15 C ATOM 1085 O THR A 90 -4.288 12.374 -15.108 1.00 1.72 O ATOM 1086 CB THR A 90 -6.696 11.171 -15.890 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.061 10.758 -16.050 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.780 10.043 -16.351 1.00 1.49 C ATOM 0 H THR A 90 -7.860 13.068 -14.707 1.00 1.14 H new ATOM 0 HA THR A 90 -6.639 10.646 -13.818 1.00 1.15 H new ATOM 0 HB THR A 90 -6.487 12.052 -16.497 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.224 10.525 -16.988 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.986 9.811 -17.396 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.740 10.353 -16.246 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.958 9.158 -15.741 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.592 11.900 -12.925 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.263 12.293 -12.480 1.00 0.97 C ATOM 1098 C ASP A 91 -2.903 11.449 -11.271 1.00 0.89 C ATOM 1099 O ASP A 91 -1.888 10.746 -11.267 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.246 13.781 -12.127 1.00 1.12 C ATOM 1101 CG ASP A 91 -1.896 14.250 -11.636 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -1.051 14.626 -12.473 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -1.680 14.252 -10.412 1.00 2.46 O ATOM 0 H ASP A 91 -5.190 11.562 -12.171 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.533 12.132 -13.273 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.530 14.361 -13.005 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -3.995 13.976 -11.359 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.785 11.489 -10.264 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.691 10.619 -9.094 1.00 0.90 C ATOM 1110 C ALA A 92 -4.090 9.195 -9.480 1.00 0.82 C ATOM 1111 O ALA A 92 -4.991 8.584 -8.907 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.566 11.149 -7.966 1.00 0.97 C ATOM 0 H ALA A 92 -4.581 12.126 -10.241 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.661 10.605 -8.736 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.485 10.490 -7.102 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.237 12.151 -7.690 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.604 11.186 -8.297 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.391 8.716 -10.484 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.593 7.428 -11.103 1.00 0.73 C ATOM 1120 C ARG A 93 -2.230 6.939 -11.572 1.00 0.69 C ATOM 1121 O ARG A 93 -1.870 5.768 -11.452 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.525 7.602 -12.303 1.00 0.82 C ATOM 1123 CG ARG A 93 -4.385 6.497 -13.321 1.00 1.64 C ATOM 1124 CD ARG A 93 -5.109 6.813 -14.622 1.00 1.70 C ATOM 1125 NE ARG A 93 -4.617 5.969 -15.709 1.00 2.71 N ATOM 1126 CZ ARG A 93 -5.292 5.686 -16.822 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -6.500 6.196 -17.035 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -4.737 4.904 -17.742 1.00 4.15 N ATOM 0 H ARG A 93 -2.628 9.241 -10.911 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.037 6.713 -10.410 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.557 7.638 -11.953 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.317 8.559 -12.782 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -3.328 6.329 -13.528 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -4.780 5.570 -12.904 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.181 6.660 -14.493 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -4.965 7.863 -14.877 1.00 1.70 H new ATOM 0 HE ARG A 93 -3.686 5.566 -15.608 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -6.923 6.813 -16.342 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -7.005 5.970 -17.892 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -3.802 4.526 -17.593 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -5.246 4.682 -18.597 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.473 7.906 -12.080 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.172 7.677 -12.694 1.00 0.60 C ATOM 1144 C GLU A 94 0.909 8.188 -11.749 1.00 0.58 C ATOM 1145 O GLU A 94 2.036 7.700 -11.713 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.092 8.453 -14.013 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.258 8.208 -14.963 1.00 1.19 C ATOM 1148 CD GLU A 94 -1.171 6.878 -15.689 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -0.471 6.807 -16.721 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -1.815 5.903 -15.240 1.00 2.11 O ATOM 0 H GLU A 94 -1.752 8.887 -12.076 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.032 6.613 -12.887 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.039 9.519 -13.790 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.835 8.187 -14.520 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.191 8.247 -14.400 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -1.295 9.013 -15.697 1.00 1.19 H new ATOM 1157 N MET A 95 0.520 9.219 -10.999 1.00 0.48 N ATOM 1158 CA MET A 95 1.398 9.927 -10.083 1.00 0.49 C ATOM 1159 C MET A 95 1.481 9.214 -8.747 1.00 0.42 C ATOM 1160 O MET A 95 2.501 9.258 -8.068 1.00 0.50 O ATOM 1161 CB MET A 95 0.850 11.340 -9.864 1.00 0.53 C ATOM 1162 CG MET A 95 1.778 12.257 -9.093 1.00 0.65 C ATOM 1163 SD MET A 95 3.310 12.603 -9.974 1.00 1.09 S ATOM 1164 CE MET A 95 4.135 13.661 -8.787 1.00 1.75 C ATOM 0 H MET A 95 -0.431 9.588 -11.015 1.00 0.48 H new ATOM 0 HA MET A 95 2.397 9.965 -10.516 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.638 11.789 -10.834 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.098 11.271 -9.331 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.264 13.195 -8.886 1.00 0.65 H new ATOM 0 HG3 MET A 95 2.013 11.803 -8.130 1.00 0.65 H new ATOM 0 HE1 MET A 95 5.104 13.965 -9.182 1.00 1.75 H new ATOM 0 HE2 MET A 95 3.525 14.545 -8.602 1.00 1.75 H new ATOM 0 HE3 MET A 95 4.278 13.117 -7.853 1.00 1.75 H new ATOM 1174 N SER A 96 0.381 8.557 -8.371 1.00 0.34 N ATOM 1175 CA SER A 96 0.217 8.069 -7.007 1.00 0.31 C ATOM 1176 C SER A 96 0.978 6.760 -6.797 1.00 0.31 C ATOM 1177 O SER A 96 1.052 6.236 -5.674 1.00 0.33 O ATOM 1178 CB SER A 96 -1.279 7.897 -6.707 1.00 0.36 C ATOM 1179 OG SER A 96 -1.908 7.022 -7.633 1.00 1.13 O ATOM 0 H SER A 96 -0.403 8.353 -8.991 1.00 0.34 H new ATOM 0 HA SER A 96 0.636 8.798 -6.313 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.404 7.507 -5.697 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.769 8.870 -6.736 1.00 0.36 H new ATOM 0 HG SER A 96 -2.858 6.936 -7.409 1.00 1.13 H new ATOM 1185 N LYS A 97 1.516 6.262 -7.908 1.00 0.36 N ATOM 1186 CA LYS A 97 2.081 4.915 -8.038 1.00 0.43 C ATOM 1187 C LYS A 97 3.185 4.647 -7.048 1.00 0.41 C ATOM 1188 O LYS A 97 3.369 3.509 -6.616 1.00 0.48 O ATOM 1189 CB LYS A 97 2.630 4.741 -9.458 1.00 0.56 C ATOM 1190 CG LYS A 97 1.568 4.835 -10.539 1.00 0.83 C ATOM 1191 CD LYS A 97 0.922 3.487 -10.819 1.00 1.15 C ATOM 1192 CE LYS A 97 1.891 2.554 -11.530 1.00 1.56 C ATOM 1193 NZ LYS A 97 1.266 1.247 -11.857 1.00 2.15 N ATOM 0 H LYS A 97 1.574 6.800 -8.773 1.00 0.36 H new ATOM 0 HA LYS A 97 1.281 4.204 -7.833 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.389 5.501 -9.640 1.00 0.56 H new ATOM 0 HB3 LYS A 97 3.125 3.773 -9.531 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.802 5.548 -10.234 1.00 0.83 H new ATOM 0 HG3 LYS A 97 2.016 5.220 -11.455 1.00 0.83 H new ATOM 0 HD2 LYS A 97 0.597 3.034 -9.882 1.00 1.15 H new ATOM 0 HD3 LYS A 97 0.031 3.627 -11.431 1.00 1.15 H new ATOM 0 HE2 LYS A 97 2.243 3.027 -12.447 1.00 1.56 H new ATOM 0 HE3 LYS A 97 2.765 2.390 -10.900 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 1.960 0.642 -12.340 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 0.953 0.783 -10.981 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 0.447 1.400 -12.479 1.00 2.15 H new ATOM 1207 N THR A 98 3.931 5.704 -6.727 1.00 0.40 N ATOM 1208 CA THR A 98 5.093 5.613 -5.857 1.00 0.46 C ATOM 1209 C THR A 98 4.695 5.718 -4.391 1.00 0.41 C ATOM 1210 O THR A 98 5.534 5.601 -3.498 1.00 0.48 O ATOM 1211 CB THR A 98 6.109 6.722 -6.191 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.444 7.991 -6.267 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.810 6.433 -7.508 1.00 1.15 C ATOM 0 H THR A 98 3.742 6.647 -7.066 1.00 0.40 H new ATOM 0 HA THR A 98 5.552 4.639 -6.026 1.00 0.46 H new ATOM 0 HB THR A 98 6.856 6.751 -5.398 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.097 8.690 -6.478 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.523 7.229 -7.723 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.338 5.482 -7.438 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.072 6.380 -8.309 1.00 1.15 H new ATOM 1221 N PHE A 99 3.412 5.945 -4.154 1.00 0.32 N ATOM 1222 CA PHE A 99 2.887 6.037 -2.799 1.00 0.32 C ATOM 1223 C PHE A 99 2.326 4.690 -2.364 1.00 0.30 C ATOM 1224 O PHE A 99 2.139 4.435 -1.176 1.00 0.31 O ATOM 1225 CB PHE A 99 1.800 7.109 -2.719 1.00 0.34 C ATOM 1226 CG PHE A 99 2.304 8.499 -2.983 1.00 0.36 C ATOM 1227 CD1 PHE A 99 2.899 9.232 -1.972 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.179 9.071 -4.235 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.365 10.513 -2.204 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.641 10.350 -4.478 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.233 11.073 -3.463 1.00 0.47 C ATOM 0 H PHE A 99 2.712 6.069 -4.885 1.00 0.32 H new ATOM 0 HA PHE A 99 3.700 6.316 -2.129 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.016 6.873 -3.438 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.344 7.079 -1.729 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.001 8.798 -0.988 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.714 8.511 -5.033 1.00 0.77 H new ATOM 0 HE1 PHE A 99 3.830 11.074 -1.407 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.539 10.784 -5.462 1.00 0.81 H new ATOM 0 HZ PHE A 99 3.593 12.074 -3.650 1.00 0.47 H new ATOM 1241 N ILE A 100 2.050 3.829 -3.343 1.00 0.32 N ATOM 1242 CA ILE A 100 1.474 2.520 -3.063 1.00 0.32 C ATOM 1243 C ILE A 100 2.548 1.598 -2.491 1.00 0.34 C ATOM 1244 O ILE A 100 3.143 0.804 -3.226 1.00 0.43 O ATOM 1245 CB ILE A 100 0.886 1.837 -4.317 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.105 2.834 -5.168 1.00 0.32 C ATOM 1247 CG2 ILE A 100 -0.007 0.680 -3.898 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.495 2.233 -6.422 1.00 0.38 C ATOM 0 H ILE A 100 2.216 4.016 -4.332 1.00 0.32 H new ATOM 0 HA ILE A 100 0.664 2.687 -2.353 1.00 0.32 H new ATOM 0 HB ILE A 100 1.707 1.454 -4.923 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.694 3.264 -4.565 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.767 3.653 -5.450 1.00 0.32 H new ATOM 0 HG21 ILE A 100 -0.421 0.200 -4.785 1.00 0.42 H new ATOM 0 HG22 ILE A 100 0.578 -0.045 -3.332 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.820 1.055 -3.276 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.034 3.004 -6.973 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.300 1.828 -7.048 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -1.184 1.434 -6.149 1.00 0.38 H new ATOM 1260 N ILE A 101 2.798 1.708 -1.195 1.00 0.32 N ATOM 1261 CA ILE A 101 3.912 1.013 -0.567 1.00 0.35 C ATOM 1262 C ILE A 101 3.663 -0.488 -0.441 1.00 0.36 C ATOM 1263 O ILE A 101 4.604 -1.283 -0.485 1.00 0.43 O ATOM 1264 CB ILE A 101 4.237 1.602 0.824 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.972 1.687 1.686 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.879 2.973 0.677 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.230 2.160 3.098 1.00 0.38 C ATOM 0 H ILE A 101 2.242 2.275 -0.555 1.00 0.32 H new ATOM 0 HA ILE A 101 4.769 1.161 -1.225 1.00 0.35 H new ATOM 0 HB ILE A 101 4.943 0.939 1.324 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.263 2.364 1.209 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.501 0.705 1.722 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.103 3.377 1.664 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.802 2.883 0.103 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.193 3.642 0.158 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.289 2.195 3.648 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.914 1.471 3.593 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.673 3.156 3.073 1.00 0.38 H new ATOM 1279 N GLY A 102 2.408 -0.879 -0.294 1.00 0.33 N ATOM 1280 CA GLY A 102 2.094 -2.279 -0.134 1.00 0.39 C ATOM 1281 C GLY A 102 0.606 -2.519 -0.081 1.00 0.35 C ATOM 1282 O GLY A 102 -0.181 -1.629 -0.408 1.00 0.35 O ATOM 0 H GLY A 102 1.603 -0.252 -0.283 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.524 -2.844 -0.961 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.555 -2.652 0.781 1.00 0.39 H new ATOM 1286 N GLU A 103 0.213 -3.711 0.334 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.197 -4.047 0.433 1.00 0.42 C ATOM 1288 C GLU A 103 -1.554 -4.458 1.854 1.00 0.37 C ATOM 1289 O GLU A 103 -0.778 -4.235 2.786 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.569 -5.151 -0.556 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.303 -4.768 -2.001 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.898 -5.743 -2.993 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -1.329 -6.846 -3.148 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.946 -5.429 -3.584 1.00 1.85 O ATOM 0 H GLU A 103 0.848 -4.461 0.607 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.773 -3.157 0.178 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.005 -6.052 -0.315 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.625 -5.395 -0.439 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.711 -3.775 -2.188 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.227 -4.707 -2.162 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.716 -5.057 2.023 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.192 -5.427 3.343 1.00 0.42 C ATOM 1303 C LEU A 104 -2.967 -6.910 3.627 1.00 0.42 C ATOM 1304 O LEU A 104 -2.756 -7.700 2.711 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.671 -5.107 3.470 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.052 -3.646 3.217 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.554 -3.461 3.357 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.314 -2.729 4.175 1.00 1.33 C ATOM 0 H LEU A 104 -3.350 -5.299 1.261 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.624 -4.850 4.073 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -5.222 -5.735 2.770 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -5.000 -5.382 4.472 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.762 -3.384 2.199 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -6.811 -2.417 3.174 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -7.068 -4.093 2.633 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.863 -3.740 4.365 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.598 -1.695 3.980 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.574 -2.989 5.201 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.239 -2.843 4.033 1.00 1.33 H new ATOM 1320 N HIS A 105 -3.018 -7.285 4.899 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.876 -8.685 5.295 1.00 0.53 C ATOM 1322 C HIS A 105 -4.050 -9.516 4.780 1.00 0.60 C ATOM 1323 O HIS A 105 -5.108 -8.973 4.514 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.771 -8.803 6.820 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.361 -8.799 7.326 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -0.895 -9.683 8.277 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.319 -7.998 7.020 1.00 1.68 C ATOM 1328 CE1 HIS A 105 0.374 -9.417 8.535 1.00 2.41 C ATOM 1329 NE2 HIS A 105 0.748 -8.397 7.784 1.00 2.37 N ATOM 0 H HIS A 105 -3.157 -6.640 5.677 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.959 -9.072 4.850 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -3.315 -7.977 7.278 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.260 -9.723 7.139 1.00 0.68 H new ATOM 0 HD2 HIS A 105 -0.324 -7.190 6.304 1.00 1.68 H new ATOM 0 HE1 HIS A 105 0.999 -9.944 9.240 1.00 2.41 H new ATOM 0 HE2 HIS A 105 1.677 -7.976 7.774 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.858 -10.842 4.627 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.875 -11.790 4.128 1.00 1.00 C ATOM 1340 C PRO A 106 -6.327 -11.476 4.519 1.00 1.18 C ATOM 1341 O PRO A 106 -7.248 -11.688 3.736 1.00 1.67 O ATOM 1342 CB PRO A 106 -4.456 -13.109 4.780 1.00 1.17 C ATOM 1343 CG PRO A 106 -3.017 -12.965 5.170 1.00 1.02 C ATOM 1344 CD PRO A 106 -2.595 -11.546 4.887 1.00 0.79 C ATOM 0 HA PRO A 106 -4.893 -11.773 3.038 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -5.073 -13.321 5.653 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.587 -13.941 4.088 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -2.884 -13.198 6.226 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -2.399 -13.665 4.609 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -2.064 -11.112 5.734 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.925 -11.493 4.029 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.503 -10.992 5.748 1.00 1.16 N ATOM 1353 CA ASP A 107 -7.820 -10.740 6.325 1.00 1.47 C ATOM 1354 C ASP A 107 -8.365 -9.437 5.781 1.00 1.22 C ATOM 1355 O ASP A 107 -9.500 -9.350 5.330 1.00 1.47 O ATOM 1356 CB ASP A 107 -7.699 -10.648 7.849 1.00 1.90 C ATOM 1357 CG ASP A 107 -9.043 -10.691 8.554 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -9.687 -9.621 8.655 1.00 3.31 O ATOM 1359 OD2 ASP A 107 -9.466 -11.782 8.984 1.00 3.27 O ATOM 0 H ASP A 107 -5.731 -10.763 6.374 1.00 1.16 H new ATOM 0 HA ASP A 107 -8.496 -11.554 6.063 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -7.080 -11.469 8.209 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -7.186 -9.723 8.112 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.497 -8.433 5.829 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.813 -7.071 5.412 1.00 1.11 C ATOM 1366 C ASP A 108 -7.834 -6.959 3.900 1.00 1.14 C ATOM 1367 O ASP A 108 -8.449 -6.058 3.333 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.748 -6.106 5.931 1.00 1.39 C ATOM 1369 CG ASP A 108 -6.607 -6.092 7.439 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.584 -5.730 8.128 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -5.504 -6.417 7.934 1.00 3.44 O ATOM 0 H ASP A 108 -6.540 -8.543 6.164 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.794 -6.822 5.817 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.787 -6.371 5.490 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.989 -5.099 5.590 1.00 1.39 H new ATOM 1376 N ARG A 109 -7.153 -7.896 3.265 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.848 -7.827 1.844 1.00 1.18 C ATOM 1378 C ARG A 109 -8.128 -7.843 1.001 1.00 1.48 C ATOM 1379 O ARG A 109 -8.277 -7.015 0.105 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.876 -8.956 1.482 1.00 1.11 C ATOM 1381 CG ARG A 109 -5.188 -8.797 0.139 1.00 1.45 C ATOM 1382 CD ARG A 109 -5.847 -9.647 -0.928 1.00 1.73 C ATOM 1383 NE ARG A 109 -4.862 -10.440 -1.658 1.00 2.25 N ATOM 1384 CZ ARG A 109 -4.921 -10.714 -2.955 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -5.899 -10.219 -3.705 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -3.994 -11.491 -3.495 1.00 3.35 N ATOM 0 H ARG A 109 -6.793 -8.733 3.723 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.358 -6.880 1.617 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -5.114 -9.024 2.259 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -6.420 -9.900 1.486 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.213 -7.750 -0.162 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.139 -9.077 0.231 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -6.580 -10.309 -0.467 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -6.389 -9.006 -1.624 1.00 1.73 H new ATOM 0 HE ARG A 109 -4.070 -10.811 -1.132 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -6.612 -9.623 -3.285 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -5.937 -10.435 -4.701 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -3.246 -11.871 -2.915 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -4.028 -11.709 -4.491 1.00 3.35 H new