USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 166:sc=-0.00941 (180deg=-0.287) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 0.111 (180deg=0.0527) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot -90:sc= -0.922 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 170:sc= -0.737 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0302 K(o=-0.03,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 79:sc= 0.00121 USER MOD Single : A 59 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.011) USER MOD Single : A 63 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-2.9!) USER MOD Single : A 65 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.039) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.947 12.165 -3.867 1.00 0.00 N ATOM 60 CA GLY A 7 4.551 11.852 -3.623 1.00 0.00 C ATOM 61 C GLY A 7 4.240 11.703 -2.147 1.00 0.00 C ATOM 62 O GLY A 7 5.069 12.023 -1.296 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.926 12.639 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.293 10.928 -4.141 1.00 0.00 H new ATOM 66 N MET A 8 3.041 11.216 -1.843 1.00 0.00 N ATOM 67 CA MET A 8 2.623 11.026 -0.459 1.00 0.00 C ATOM 68 C MET A 8 2.967 9.620 0.024 1.00 0.00 C ATOM 69 O MET A 8 3.404 8.776 -0.757 1.00 0.00 O ATOM 70 CB MET A 8 1.119 11.271 -0.320 1.00 0.00 C ATOM 71 CG MET A 8 0.685 12.657 -0.772 1.00 0.00 C ATOM 72 SD MET A 8 -0.986 13.070 -0.237 1.00 0.00 S ATOM 73 CE MET A 8 -1.812 13.251 -1.815 1.00 0.00 C ATOM 0 H MET A 8 2.343 10.946 -2.536 1.00 0.00 H new ATOM 0 HA MET A 8 3.160 11.746 0.159 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.582 10.523 -0.903 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.831 11.131 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.382 13.398 -0.379 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.739 12.714 -1.859 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.891 13.259 -1.662 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.504 14.187 -2.282 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.544 12.417 -2.464 1.00 0.00 H new ATOM 83 N GLU A 9 2.767 9.378 1.316 1.00 0.00 N ATOM 84 CA GLU A 9 3.058 8.075 1.902 1.00 0.00 C ATOM 85 C GLU A 9 1.858 7.551 2.686 1.00 0.00 C ATOM 86 O GLU A 9 1.000 8.321 3.119 1.00 0.00 O ATOM 87 CB GLU A 9 4.280 8.164 2.819 1.00 0.00 C ATOM 88 CG GLU A 9 4.202 9.297 3.828 1.00 0.00 C ATOM 89 CD GLU A 9 3.293 8.974 4.998 1.00 0.00 C ATOM 90 OE1 GLU A 9 3.559 7.975 5.699 1.00 0.00 O ATOM 91 OE2 GLU A 9 2.316 9.722 5.214 1.00 0.00 O ATOM 0 H GLU A 9 2.405 10.066 1.976 1.00 0.00 H new ATOM 0 HA GLU A 9 3.272 7.380 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.393 7.220 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.173 8.293 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.203 9.517 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.842 10.198 3.331 1.00 0.00 H new ATOM 98 N LEU A 10 1.804 6.235 2.864 1.00 0.00 N ATOM 99 CA LEU A 10 0.709 5.606 3.595 1.00 0.00 C ATOM 100 C LEU A 10 1.230 4.858 4.817 1.00 0.00 C ATOM 101 O LEU A 10 2.295 4.240 4.774 1.00 0.00 O ATOM 102 CB LEU A 10 -0.054 4.646 2.681 1.00 0.00 C ATOM 103 CG LEU A 10 -1.458 4.254 3.143 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.408 5.436 3.026 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.974 3.071 2.337 1.00 0.00 C ATOM 0 H LEU A 10 2.505 5.583 2.512 1.00 0.00 H new ATOM 0 HA LEU A 10 0.032 6.390 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.132 5.101 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.537 3.737 2.568 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.405 3.959 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.402 5.138 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.047 6.256 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.456 5.763 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.974 2.806 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.011 3.339 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.307 2.220 2.472 1.00 0.00 H new ATOM 117 N LYS A 11 0.472 4.915 5.907 1.00 0.00 N ATOM 118 CA LYS A 11 0.854 4.240 7.141 1.00 0.00 C ATOM 119 C LYS A 11 -0.046 3.037 7.405 1.00 0.00 C ATOM 120 O LYS A 11 -1.236 3.188 7.682 1.00 0.00 O ATOM 121 CB LYS A 11 0.782 5.212 8.321 1.00 0.00 C ATOM 122 CG LYS A 11 1.659 6.440 8.152 1.00 0.00 C ATOM 123 CD LYS A 11 1.958 7.101 9.487 1.00 0.00 C ATOM 124 CE LYS A 11 2.333 8.565 9.313 1.00 0.00 C ATOM 125 NZ LYS A 11 3.740 8.726 8.853 1.00 0.00 N ATOM 0 H LYS A 11 -0.411 5.422 5.960 1.00 0.00 H new ATOM 0 HA LYS A 11 1.879 3.887 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.252 5.530 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.076 4.688 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.594 6.157 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.163 7.154 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.086 7.022 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.773 6.572 9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.660 9.029 8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.198 9.089 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.044 9.709 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.357 8.086 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.803 8.495 7.841 1.00 0.00 H new ATOM 139 N VAL A 12 0.530 1.842 7.318 1.00 0.00 N ATOM 140 CA VAL A 12 -0.220 0.613 7.549 1.00 0.00 C ATOM 141 C VAL A 12 0.384 -0.192 8.695 1.00 0.00 C ATOM 142 O VAL A 12 1.555 -0.022 9.037 1.00 0.00 O ATOM 143 CB VAL A 12 -0.261 -0.266 6.285 1.00 0.00 C ATOM 144 CG1 VAL A 12 -0.959 0.466 5.149 1.00 0.00 C ATOM 145 CG2 VAL A 12 1.145 -0.681 5.879 1.00 0.00 C ATOM 0 H VAL A 12 1.514 1.699 7.089 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.236 0.907 7.811 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.831 -1.168 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.979 -0.170 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.980 0.708 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.419 1.386 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.097 -1.302 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.741 0.208 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.605 -1.247 6.689 1.00 0.00 H new ATOM 155 N TRP A 13 -0.421 -1.069 9.283 1.00 0.00 N ATOM 156 CA TRP A 13 0.035 -1.901 10.391 1.00 0.00 C ATOM 157 C TRP A 13 0.320 -3.323 9.921 1.00 0.00 C ATOM 158 O TRP A 13 -0.593 -4.136 9.780 1.00 0.00 O ATOM 159 CB TRP A 13 -1.012 -1.919 11.506 1.00 0.00 C ATOM 160 CG TRP A 13 -1.007 -0.678 12.346 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.892 0.360 12.279 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.071 -0.344 13.376 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.563 1.319 13.206 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.450 0.910 13.893 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.048 -0.984 13.915 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.253 1.535 14.920 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.745 -0.362 14.934 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.345 0.886 15.428 1.00 0.00 C ATOM 0 H TRP A 13 -1.392 -1.223 9.012 1.00 0.00 H new ATOM 0 HA TRP A 13 0.960 -1.474 10.778 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.000 -2.046 11.064 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.835 -2.783 12.146 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.728 0.418 11.597 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.066 2.193 13.358 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.363 -1.947 13.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.053 2.498 15.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.613 -0.847 15.356 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.910 1.345 16.226 1.00 0.00 H new ATOM 179 N VAL A 14 1.594 -3.618 9.681 1.00 0.00 N ATOM 180 CA VAL A 14 2.000 -4.944 9.229 1.00 0.00 C ATOM 181 C VAL A 14 2.696 -5.715 10.344 1.00 0.00 C ATOM 182 O VAL A 14 3.786 -5.346 10.781 1.00 0.00 O ATOM 183 CB VAL A 14 2.941 -4.858 8.013 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.486 -6.233 7.661 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.220 -4.240 6.824 1.00 0.00 C ATOM 0 H VAL A 14 2.363 -2.957 9.792 1.00 0.00 H new ATOM 0 HA VAL A 14 1.092 -5.472 8.939 1.00 0.00 H new ATOM 0 HB VAL A 14 3.783 -4.216 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.149 -6.152 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.041 -6.633 8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.659 -6.902 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.900 -4.187 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.358 -4.854 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.885 -3.236 7.084 1.00 0.00 H new ATOM 195 N ASP A 15 2.060 -6.789 10.799 1.00 0.00 N ATOM 196 CA ASP A 15 2.620 -7.615 11.863 1.00 0.00 C ATOM 197 C ASP A 15 3.039 -6.758 13.053 1.00 0.00 C ATOM 198 O ASP A 15 4.130 -6.922 13.595 1.00 0.00 O ATOM 199 CB ASP A 15 3.819 -8.410 11.343 1.00 0.00 C ATOM 200 CG ASP A 15 3.407 -9.556 10.441 1.00 0.00 C ATOM 201 OD1 ASP A 15 2.414 -10.240 10.766 1.00 0.00 O ATOM 202 OD2 ASP A 15 4.077 -9.769 9.409 1.00 0.00 O ATOM 0 H ASP A 15 1.157 -7.108 10.448 1.00 0.00 H new ATOM 0 HA ASP A 15 1.849 -8.311 12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.484 -7.742 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.385 -8.802 12.188 1.00 0.00 H new ATOM 207 N GLY A 16 2.162 -5.842 13.454 1.00 0.00 N ATOM 208 CA GLY A 16 2.460 -4.972 14.577 1.00 0.00 C ATOM 209 C GLY A 16 3.572 -3.989 14.269 1.00 0.00 C ATOM 210 O GLY A 16 4.190 -3.435 15.179 1.00 0.00 O ATOM 0 H GLY A 16 1.251 -5.687 13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.561 -4.423 14.856 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.743 -5.578 15.437 1.00 0.00 H new ATOM 214 N VAL A 17 3.829 -3.771 12.983 1.00 0.00 N ATOM 215 CA VAL A 17 4.875 -2.849 12.558 1.00 0.00 C ATOM 216 C VAL A 17 4.331 -1.815 11.578 1.00 0.00 C ATOM 217 O VAL A 17 3.773 -2.165 10.538 1.00 0.00 O ATOM 218 CB VAL A 17 6.049 -3.597 11.899 1.00 0.00 C ATOM 219 CG1 VAL A 17 7.112 -2.615 11.430 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.640 -4.614 12.863 1.00 0.00 C ATOM 0 H VAL A 17 3.327 -4.221 12.217 1.00 0.00 H new ATOM 0 HA VAL A 17 5.234 -2.343 13.454 1.00 0.00 H new ATOM 0 HB VAL A 17 5.673 -4.132 11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.934 -3.162 10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.678 -1.929 10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.487 -2.050 12.283 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.468 -5.133 12.381 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.002 -4.102 13.755 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.874 -5.336 13.145 1.00 0.00 H new ATOM 230 N GLN A 18 4.498 -0.541 11.917 1.00 0.00 N ATOM 231 CA GLN A 18 4.023 0.544 11.067 1.00 0.00 C ATOM 232 C GLN A 18 4.864 0.649 9.799 1.00 0.00 C ATOM 233 O GLN A 18 5.935 1.256 9.802 1.00 0.00 O ATOM 234 CB GLN A 18 4.058 1.870 11.828 1.00 0.00 C ATOM 235 CG GLN A 18 3.341 3.002 11.111 1.00 0.00 C ATOM 236 CD GLN A 18 3.252 4.262 11.951 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.270 4.828 12.350 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.032 4.707 12.223 1.00 0.00 N ATOM 0 H GLN A 18 4.959 -0.235 12.774 1.00 0.00 H new ATOM 0 HA GLN A 18 2.994 0.325 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.605 1.728 12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.096 2.157 11.994 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.863 3.226 10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.336 2.678 10.842 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.216 4.206 11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.910 5.550 12.784 1.00 0.00 H new ATOM 247 N ARG A 19 4.372 0.055 8.717 1.00 0.00 N ATOM 248 CA ARG A 19 5.079 0.081 7.442 1.00 0.00 C ATOM 249 C ARG A 19 4.752 1.352 6.665 1.00 0.00 C ATOM 250 O ARG A 19 3.590 1.625 6.362 1.00 0.00 O ATOM 251 CB ARG A 19 4.714 -1.148 6.607 1.00 0.00 C ATOM 252 CG ARG A 19 5.545 -2.377 6.937 1.00 0.00 C ATOM 253 CD ARG A 19 6.997 -2.195 6.524 1.00 0.00 C ATOM 254 NE ARG A 19 7.798 -1.592 7.587 1.00 0.00 N ATOM 255 CZ ARG A 19 9.105 -1.378 7.491 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.756 -1.715 6.386 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.764 -0.824 8.501 1.00 0.00 N ATOM 0 H ARG A 19 3.486 -0.450 8.698 1.00 0.00 H new ATOM 0 HA ARG A 19 6.149 0.067 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.660 -1.381 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.838 -0.909 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.492 -2.577 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.128 -3.247 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.421 -3.162 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.045 -1.567 5.634 1.00 0.00 H new ATOM 0 HE ARG A 19 7.327 -1.321 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.253 -2.140 5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.760 -1.549 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.267 -0.562 9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.768 -0.660 8.426 1.00 0.00 H new ATOM 271 N ILE A 20 5.784 2.126 6.346 1.00 0.00 N ATOM 272 CA ILE A 20 5.606 3.368 5.604 1.00 0.00 C ATOM 273 C ILE A 20 5.882 3.165 4.118 1.00 0.00 C ATOM 274 O ILE A 20 6.982 2.773 3.728 1.00 0.00 O ATOM 275 CB ILE A 20 6.527 4.481 6.138 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.354 4.633 7.651 1.00 0.00 C ATOM 277 CG2 ILE A 20 6.235 5.796 5.432 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.003 5.180 8.053 1.00 0.00 C ATOM 0 H ILE A 20 6.752 1.915 6.590 1.00 0.00 H new ATOM 0 HA ILE A 20 4.568 3.670 5.741 1.00 0.00 H new ATOM 0 HB ILE A 20 7.562 4.205 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.499 3.662 8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.133 5.293 8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.894 6.572 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.404 5.680 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.197 6.080 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.952 5.261 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.863 6.165 7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.219 4.509 7.702 1.00 0.00 H new ATOM 290 N VAL A 21 4.877 3.437 3.292 1.00 0.00 N ATOM 291 CA VAL A 21 5.011 3.287 1.848 1.00 0.00 C ATOM 292 C VAL A 21 5.003 4.643 1.152 1.00 0.00 C ATOM 293 O VAL A 21 3.949 5.257 0.978 1.00 0.00 O ATOM 294 CB VAL A 21 3.882 2.416 1.266 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.031 2.286 -0.242 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.870 1.047 1.929 1.00 0.00 C ATOM 0 H VAL A 21 3.960 3.763 3.598 1.00 0.00 H new ATOM 0 HA VAL A 21 5.967 2.795 1.668 1.00 0.00 H new ATOM 0 HB VAL A 21 2.929 2.902 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.224 1.667 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.986 3.275 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.990 1.823 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.066 0.445 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.825 0.551 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.710 1.163 3.001 1.00 0.00 H new ATOM 306 N CYS A 22 6.183 5.106 0.755 1.00 0.00 N ATOM 307 CA CYS A 22 6.312 6.391 0.077 1.00 0.00 C ATOM 308 C CYS A 22 6.267 6.213 -1.438 1.00 0.00 C ATOM 309 O CYS A 22 6.940 5.345 -1.991 1.00 0.00 O ATOM 310 CB CYS A 22 7.617 7.077 0.484 1.00 0.00 C ATOM 311 SG CYS A 22 7.715 7.493 2.241 1.00 0.00 S ATOM 0 H CYS A 22 7.064 4.611 0.891 1.00 0.00 H new ATOM 0 HA CYS A 22 5.472 7.018 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.453 6.425 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.734 7.989 -0.101 1.00 0.00 H new ATOM 0 HG CYS A 22 7.238 8.687 2.431 1.00 0.00 H new ATOM 317 N GLY A 23 5.468 7.042 -2.102 1.00 0.00 N ATOM 318 CA GLY A 23 5.349 6.959 -3.546 1.00 0.00 C ATOM 319 C GLY A 23 3.944 6.606 -3.993 1.00 0.00 C ATOM 320 O GLY A 23 3.747 6.073 -5.085 1.00 0.00 O ATOM 0 H GLY A 23 4.901 7.769 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.638 7.913 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.046 6.210 -3.922 1.00 0.00 H new ATOM 324 N VAL A 24 2.963 6.901 -3.145 1.00 0.00 N ATOM 325 CA VAL A 24 1.569 6.610 -3.458 1.00 0.00 C ATOM 326 C VAL A 24 0.809 7.883 -3.812 1.00 0.00 C ATOM 327 O VAL A 24 0.860 8.875 -3.083 1.00 0.00 O ATOM 328 CB VAL A 24 0.863 5.915 -2.279 1.00 0.00 C ATOM 329 CG1 VAL A 24 0.978 6.755 -1.016 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.595 5.643 -2.618 1.00 0.00 C ATOM 0 H VAL A 24 3.108 7.341 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 24 1.570 5.940 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 24 1.355 4.960 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.473 6.247 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.030 6.893 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.514 7.727 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.079 5.152 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.101 6.585 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.650 4.997 -3.494 1.00 0.00 H new ATOM 340 N THR A 25 0.101 7.850 -4.937 1.00 0.00 N ATOM 341 CA THR A 25 -0.670 9.000 -5.390 1.00 0.00 C ATOM 342 C THR A 25 -2.135 8.633 -5.597 1.00 0.00 C ATOM 343 O THR A 25 -2.534 7.489 -5.381 1.00 0.00 O ATOM 344 CB THR A 25 -0.106 9.574 -6.703 1.00 0.00 C ATOM 345 OG1 THR A 25 0.153 8.513 -7.630 1.00 0.00 O ATOM 346 CG2 THR A 25 1.175 10.354 -6.447 1.00 0.00 C ATOM 0 H THR A 25 0.046 7.038 -5.551 1.00 0.00 H new ATOM 0 HA THR A 25 -0.594 9.757 -4.610 1.00 0.00 H new ATOM 0 HB THR A 25 -0.847 10.252 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.510 8.886 -8.463 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.554 10.750 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.969 11.178 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.921 9.694 -6.004 1.00 0.00 H new ATOM 354 N GLU A 26 -2.932 9.610 -6.019 1.00 0.00 N ATOM 355 CA GLU A 26 -4.353 9.388 -6.255 1.00 0.00 C ATOM 356 C GLU A 26 -4.568 8.258 -7.258 1.00 0.00 C ATOM 357 O GLU A 26 -5.437 7.406 -7.073 1.00 0.00 O ATOM 358 CB GLU A 26 -5.015 10.670 -6.765 1.00 0.00 C ATOM 359 CG GLU A 26 -5.184 11.735 -5.695 1.00 0.00 C ATOM 360 CD GLU A 26 -6.335 12.678 -5.988 1.00 0.00 C ATOM 361 OE1 GLU A 26 -7.314 12.239 -6.627 1.00 0.00 O ATOM 362 OE2 GLU A 26 -6.257 13.855 -5.578 1.00 0.00 O ATOM 0 H GLU A 26 -2.617 10.562 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.812 9.103 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.418 11.078 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.993 10.424 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.350 11.254 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.261 12.309 -5.610 1.00 0.00 H new ATOM 369 N VAL A 27 -3.770 8.259 -8.321 1.00 0.00 N ATOM 370 CA VAL A 27 -3.871 7.234 -9.354 1.00 0.00 C ATOM 371 C VAL A 27 -3.666 5.842 -8.768 1.00 0.00 C ATOM 372 O VAL A 27 -4.388 4.902 -9.104 1.00 0.00 O ATOM 373 CB VAL A 27 -2.841 7.464 -10.475 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.926 6.357 -11.514 1.00 0.00 C ATOM 375 CG2 VAL A 27 -3.049 8.827 -11.118 1.00 0.00 C ATOM 0 H VAL A 27 -3.046 8.958 -8.490 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.875 7.304 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.843 7.443 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.191 6.537 -12.298 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.723 5.397 -11.040 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.925 6.343 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.312 8.973 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.052 8.880 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.932 9.606 -10.365 1.00 0.00 H new ATOM 385 N THR A 28 -2.677 5.715 -7.889 1.00 0.00 N ATOM 386 CA THR A 28 -2.376 4.437 -7.256 1.00 0.00 C ATOM 387 C THR A 28 -3.598 3.878 -6.536 1.00 0.00 C ATOM 388 O THR A 28 -4.051 4.436 -5.536 1.00 0.00 O ATOM 389 CB THR A 28 -1.217 4.567 -6.251 1.00 0.00 C ATOM 390 OG1 THR A 28 0.005 4.847 -6.944 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.062 3.292 -5.435 1.00 0.00 C ATOM 0 H THR A 28 -2.071 6.482 -7.599 1.00 0.00 H new ATOM 0 HA THR A 28 -2.082 3.752 -8.052 1.00 0.00 H new ATOM 0 HB THR A 28 -1.446 5.389 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.736 4.930 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.237 3.408 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.983 3.098 -4.885 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.855 2.456 -6.103 1.00 0.00 H new ATOM 399 N THR A 29 -4.128 2.773 -7.050 1.00 0.00 N ATOM 400 CA THR A 29 -5.299 2.139 -6.456 1.00 0.00 C ATOM 401 C THR A 29 -4.933 1.404 -5.172 1.00 0.00 C ATOM 402 O THR A 29 -3.757 1.278 -4.831 1.00 0.00 O ATOM 403 CB THR A 29 -5.956 1.146 -7.433 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.985 0.203 -7.901 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.571 1.878 -8.617 1.00 0.00 C ATOM 0 H THR A 29 -3.765 2.298 -7.877 1.00 0.00 H new ATOM 0 HA THR A 29 -6.008 2.935 -6.227 1.00 0.00 H new ATOM 0 HB THR A 29 -6.748 0.618 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.411 -0.425 -8.520 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.029 1.156 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.331 2.573 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.794 2.430 -9.147 1.00 0.00 H new ATOM 413 N CYS A 30 -5.948 0.920 -4.464 1.00 0.00 N ATOM 414 CA CYS A 30 -5.733 0.197 -3.215 1.00 0.00 C ATOM 415 C CYS A 30 -5.085 -1.159 -3.477 1.00 0.00 C ATOM 416 O CYS A 30 -4.542 -1.783 -2.567 1.00 0.00 O ATOM 417 CB CYS A 30 -7.058 0.008 -2.476 1.00 0.00 C ATOM 418 SG CYS A 30 -7.663 1.500 -1.653 1.00 0.00 S ATOM 0 H CYS A 30 -6.927 1.015 -4.733 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.060 0.787 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.812 -0.334 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.938 -0.781 -1.733 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.880 1.305 -1.240 1.00 0.00 H new ATOM 424 N GLN A 31 -5.149 -1.608 -4.727 1.00 0.00 N ATOM 425 CA GLN A 31 -4.570 -2.891 -5.107 1.00 0.00 C ATOM 426 C GLN A 31 -3.083 -2.748 -5.415 1.00 0.00 C ATOM 427 O GLN A 31 -2.307 -3.682 -5.219 1.00 0.00 O ATOM 428 CB GLN A 31 -5.302 -3.464 -6.322 1.00 0.00 C ATOM 429 CG GLN A 31 -4.624 -4.686 -6.920 1.00 0.00 C ATOM 430 CD GLN A 31 -5.604 -5.627 -7.592 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.038 -6.616 -7.001 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.959 -5.324 -8.835 1.00 0.00 N ATOM 0 H GLN A 31 -5.595 -1.103 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.683 -3.576 -4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.319 -3.729 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.380 -2.691 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.879 -4.364 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.092 -5.222 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.575 -4.494 -9.287 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.616 -5.921 -9.338 1.00 0.00 H new ATOM 441 N GLU A 32 -2.694 -1.572 -5.899 1.00 0.00 N ATOM 442 CA GLU A 32 -1.300 -1.309 -6.234 1.00 0.00 C ATOM 443 C GLU A 32 -0.472 -1.074 -4.974 1.00 0.00 C ATOM 444 O GLU A 32 0.758 -1.077 -5.017 1.00 0.00 O ATOM 445 CB GLU A 32 -1.196 -0.095 -7.160 1.00 0.00 C ATOM 446 CG GLU A 32 -1.599 -0.388 -8.596 1.00 0.00 C ATOM 447 CD GLU A 32 -1.636 0.859 -9.457 1.00 0.00 C ATOM 448 OE1 GLU A 32 -0.571 1.251 -9.979 1.00 0.00 O ATOM 449 OE2 GLU A 32 -2.729 1.444 -9.610 1.00 0.00 O ATOM 0 H GLU A 32 -3.324 -0.788 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.905 -2.185 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.827 0.704 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.170 0.274 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.898 -1.102 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.581 -0.860 -8.605 1.00 0.00 H new ATOM 456 N VAL A 33 -1.156 -0.869 -3.853 1.00 0.00 N ATOM 457 CA VAL A 33 -0.485 -0.633 -2.581 1.00 0.00 C ATOM 458 C VAL A 33 -0.189 -1.945 -1.864 1.00 0.00 C ATOM 459 O VAL A 33 0.967 -2.262 -1.579 1.00 0.00 O ATOM 460 CB VAL A 33 -1.332 0.264 -1.658 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.512 0.728 -0.464 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.885 1.452 -2.430 1.00 0.00 C ATOM 0 H VAL A 33 -2.175 -0.862 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 33 0.453 -0.126 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.173 -0.320 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.127 1.360 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.171 -0.139 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.351 1.296 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.481 2.074 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.060 2.039 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.511 1.095 -3.248 1.00 0.00 H new ATOM 472 N VAL A 34 -1.239 -2.706 -1.575 1.00 0.00 N ATOM 473 CA VAL A 34 -1.092 -3.986 -0.892 1.00 0.00 C ATOM 474 C VAL A 34 0.057 -4.795 -1.484 1.00 0.00 C ATOM 475 O VAL A 34 0.870 -5.363 -0.754 1.00 0.00 O ATOM 476 CB VAL A 34 -2.386 -4.817 -0.973 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.555 -4.043 -0.384 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.672 -5.219 -2.412 1.00 0.00 C ATOM 0 H VAL A 34 -2.202 -2.458 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.876 -3.765 0.153 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.251 -5.726 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.461 -4.646 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.349 -3.811 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.695 -3.116 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.590 -5.806 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.787 -4.324 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.844 -5.816 -2.795 1.00 0.00 H new ATOM 488 N ILE A 35 0.118 -4.843 -2.811 1.00 0.00 N ATOM 489 CA ILE A 35 1.168 -5.581 -3.501 1.00 0.00 C ATOM 490 C ILE A 35 2.550 -5.101 -3.071 1.00 0.00 C ATOM 491 O ILE A 35 3.455 -5.905 -2.844 1.00 0.00 O ATOM 492 CB ILE A 35 1.042 -5.444 -5.029 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.196 -6.191 -5.530 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.295 -5.967 -5.714 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.351 -6.165 -7.034 1.00 0.00 C ATOM 0 H ILE A 35 -0.548 -4.379 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 35 1.048 -6.629 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 35 0.931 -4.388 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.145 -7.227 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.084 -5.753 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.190 -5.863 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.160 -5.395 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.435 -7.018 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.249 -6.714 -7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.435 -5.133 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.519 -6.630 -7.498 1.00 0.00 H new ATOM 507 N ALA A 36 2.706 -3.786 -2.959 1.00 0.00 N ATOM 508 CA ALA A 36 3.977 -3.199 -2.553 1.00 0.00 C ATOM 509 C ALA A 36 4.384 -3.679 -1.164 1.00 0.00 C ATOM 510 O ALA A 36 5.551 -3.991 -0.921 1.00 0.00 O ATOM 511 CB ALA A 36 3.890 -1.680 -2.584 1.00 0.00 C ATOM 0 H ALA A 36 1.968 -3.107 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 36 4.741 -3.523 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.846 -1.255 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.652 -1.350 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.109 -1.346 -1.900 1.00 0.00 H new ATOM 517 N LEU A 37 3.416 -3.736 -0.256 1.00 0.00 N ATOM 518 CA LEU A 37 3.674 -4.178 1.111 1.00 0.00 C ATOM 519 C LEU A 37 3.995 -5.669 1.149 1.00 0.00 C ATOM 520 O LEU A 37 5.011 -6.081 1.708 1.00 0.00 O ATOM 521 CB LEU A 37 2.466 -3.882 2.000 1.00 0.00 C ATOM 522 CG LEU A 37 2.281 -2.422 2.417 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.517 -1.914 3.143 1.00 0.00 C ATOM 524 CD2 LEU A 37 1.979 -1.555 1.204 1.00 0.00 C ATOM 0 H LEU A 37 2.446 -3.482 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 37 4.537 -3.629 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.567 -4.206 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.546 -4.489 2.902 1.00 0.00 H new ATOM 0 HG LEU A 37 1.434 -2.364 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.367 -0.874 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.689 -2.517 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.382 -1.986 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.850 -0.520 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.806 -1.619 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.064 -1.905 0.726 1.00 0.00 H new ATOM 536 N ALA A 38 3.122 -6.472 0.550 1.00 0.00 N ATOM 537 CA ALA A 38 3.315 -7.917 0.513 1.00 0.00 C ATOM 538 C ALA A 38 4.692 -8.273 -0.037 1.00 0.00 C ATOM 539 O ALA A 38 5.297 -9.262 0.375 1.00 0.00 O ATOM 540 CB ALA A 38 2.225 -8.573 -0.322 1.00 0.00 C ATOM 0 H ALA A 38 2.275 -6.147 0.084 1.00 0.00 H new ATOM 0 HA ALA A 38 3.252 -8.294 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.381 -9.652 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.251 -8.355 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.261 -8.183 -1.339 1.00 0.00 H new ATOM 546 N GLN A 39 5.180 -7.461 -0.969 1.00 0.00 N ATOM 547 CA GLN A 39 6.485 -7.693 -1.576 1.00 0.00 C ATOM 548 C GLN A 39 7.607 -7.305 -0.619 1.00 0.00 C ATOM 549 O GLN A 39 8.677 -7.913 -0.622 1.00 0.00 O ATOM 550 CB GLN A 39 6.613 -6.900 -2.878 1.00 0.00 C ATOM 551 CG GLN A 39 5.920 -7.557 -4.061 1.00 0.00 C ATOM 552 CD GLN A 39 6.764 -8.637 -4.707 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.063 -9.660 -4.090 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.155 -8.416 -5.957 1.00 0.00 N ATOM 0 H GLN A 39 4.692 -6.637 -1.320 1.00 0.00 H new ATOM 0 HA GLN A 39 6.571 -8.757 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.195 -5.904 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.670 -6.771 -3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.976 -7.989 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.679 -6.797 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.885 -7.554 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.726 -9.108 -6.443 1.00 0.00 H new ATOM 563 N ALA A 40 7.355 -6.289 0.200 1.00 0.00 N ATOM 564 CA ALA A 40 8.343 -5.821 1.164 1.00 0.00 C ATOM 565 C ALA A 40 8.495 -6.807 2.317 1.00 0.00 C ATOM 566 O ALA A 40 9.610 -7.125 2.731 1.00 0.00 O ATOM 567 CB ALA A 40 7.958 -4.446 1.690 1.00 0.00 C ATOM 0 H ALA A 40 6.475 -5.774 0.215 1.00 0.00 H new ATOM 0 HA ALA A 40 9.304 -5.747 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.705 -4.109 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.908 -3.740 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.985 -4.502 2.177 1.00 0.00 H new ATOM 573 N ILE A 41 7.368 -7.287 2.831 1.00 0.00 N ATOM 574 CA ILE A 41 7.376 -8.237 3.936 1.00 0.00 C ATOM 575 C ILE A 41 7.878 -9.604 3.482 1.00 0.00 C ATOM 576 O ILE A 41 8.468 -10.350 4.262 1.00 0.00 O ATOM 577 CB ILE A 41 5.974 -8.397 4.552 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.964 -8.806 3.478 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.542 -7.104 5.228 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.636 -9.262 4.039 1.00 0.00 C ATOM 0 H ILE A 41 6.437 -7.033 2.500 1.00 0.00 H new ATOM 0 HA ILE A 41 8.052 -7.836 4.691 1.00 0.00 H new ATOM 0 HB ILE A 41 6.012 -9.183 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.796 -7.962 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.390 -9.609 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.549 -7.233 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.250 -6.852 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.517 -6.300 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.970 -9.536 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.791 -10.126 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.188 -8.453 4.616 1.00 0.00 H new ATOM 592 N GLY A 42 7.641 -9.924 2.214 1.00 0.00 N ATOM 593 CA GLY A 42 8.078 -11.200 1.677 1.00 0.00 C ATOM 594 C GLY A 42 6.987 -12.251 1.721 1.00 0.00 C ATOM 595 O GLY A 42 7.201 -13.357 2.217 1.00 0.00 O ATOM 0 H GLY A 42 7.154 -9.323 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.406 -11.064 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.941 -11.552 2.242 1.00 0.00 H new ATOM 599 N ARG A 43 5.813 -11.906 1.203 1.00 0.00 N ATOM 600 CA ARG A 43 4.683 -12.827 1.188 1.00 0.00 C ATOM 601 C ARG A 43 3.909 -12.718 -0.122 1.00 0.00 C ATOM 602 O ARG A 43 3.548 -11.623 -0.554 1.00 0.00 O ATOM 603 CB ARG A 43 3.751 -12.544 2.368 1.00 0.00 C ATOM 604 CG ARG A 43 4.266 -13.082 3.693 1.00 0.00 C ATOM 605 CD ARG A 43 4.181 -14.599 3.750 1.00 0.00 C ATOM 606 NE ARG A 43 4.946 -15.149 4.866 1.00 0.00 N ATOM 607 CZ ARG A 43 5.295 -16.427 4.958 1.00 0.00 C ATOM 608 NH1 ARG A 43 4.950 -17.283 4.006 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.992 -16.852 6.005 1.00 0.00 N ATOM 0 H ARG A 43 5.619 -10.995 0.788 1.00 0.00 H new ATOM 0 HA ARG A 43 5.073 -13.841 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.605 -11.467 2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.775 -12.983 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.300 -12.769 3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.687 -12.653 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.138 -14.900 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.552 -15.018 2.815 1.00 0.00 H new ATOM 0 HE ARG A 43 5.228 -14.517 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.415 -16.961 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.220 -18.264 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.260 -16.197 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.260 -17.834 6.075 1.00 0.00 H new ATOM 623 N THR A 44 3.658 -13.862 -0.753 1.00 0.00 N ATOM 624 CA THR A 44 2.929 -13.895 -2.014 1.00 0.00 C ATOM 625 C THR A 44 1.436 -14.092 -1.781 1.00 0.00 C ATOM 626 O THR A 44 1.030 -14.851 -0.903 1.00 0.00 O ATOM 627 CB THR A 44 3.447 -15.018 -2.932 1.00 0.00 C ATOM 628 OG1 THR A 44 3.260 -16.291 -2.303 1.00 0.00 O ATOM 629 CG2 THR A 44 4.920 -14.818 -3.255 1.00 0.00 C ATOM 0 H THR A 44 3.949 -14.777 -0.410 1.00 0.00 H new ATOM 0 HA THR A 44 3.094 -12.933 -2.500 1.00 0.00 H new ATOM 0 HB THR A 44 2.880 -14.986 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.590 -17.000 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.263 -15.624 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.055 -13.862 -3.761 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.499 -14.825 -2.332 1.00 0.00 H new ATOM 637 N GLY A 45 0.622 -13.403 -2.575 1.00 0.00 N ATOM 638 CA GLY A 45 -0.819 -13.517 -2.439 1.00 0.00 C ATOM 639 C GLY A 45 -1.509 -12.168 -2.435 1.00 0.00 C ATOM 640 O GLY A 45 -0.865 -11.134 -2.261 1.00 0.00 O ATOM 0 H GLY A 45 0.934 -12.768 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.212 -14.120 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.053 -14.044 -1.514 1.00 0.00 H new ATOM 644 N ARG A 46 -2.824 -12.178 -2.629 1.00 0.00 N ATOM 645 CA ARG A 46 -3.602 -10.945 -2.650 1.00 0.00 C ATOM 646 C ARG A 46 -3.872 -10.448 -1.232 1.00 0.00 C ATOM 647 O ARG A 46 -3.745 -11.200 -0.265 1.00 0.00 O ATOM 648 CB ARG A 46 -4.926 -11.165 -3.385 1.00 0.00 C ATOM 649 CG ARG A 46 -4.755 -11.533 -4.850 1.00 0.00 C ATOM 650 CD ARG A 46 -4.466 -10.307 -5.702 1.00 0.00 C ATOM 651 NE ARG A 46 -3.099 -9.826 -5.522 1.00 0.00 N ATOM 652 CZ ARG A 46 -2.024 -10.502 -5.912 1.00 0.00 C ATOM 653 NH1 ARG A 46 -2.157 -11.683 -6.501 1.00 0.00 N ATOM 654 NH2 ARG A 46 -0.813 -9.998 -5.713 1.00 0.00 N ATOM 0 H ARG A 46 -3.373 -13.026 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.022 -10.188 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.484 -11.956 -2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.526 -10.258 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.940 -12.250 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.659 -12.024 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.630 -10.548 -6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.167 -9.513 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.962 -8.921 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.086 -12.074 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.330 -12.200 -6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.706 -9.090 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.012 -10.518 -6.013 1.00 0.00 H new ATOM 668 N TYR A 47 -4.243 -9.178 -1.117 1.00 0.00 N ATOM 669 CA TYR A 47 -4.527 -8.580 0.182 1.00 0.00 C ATOM 670 C TYR A 47 -5.468 -7.387 0.039 1.00 0.00 C ATOM 671 O TYR A 47 -5.651 -6.853 -1.056 1.00 0.00 O ATOM 672 CB TYR A 47 -3.228 -8.140 0.860 1.00 0.00 C ATOM 673 CG TYR A 47 -2.439 -9.284 1.455 1.00 0.00 C ATOM 674 CD1 TYR A 47 -2.750 -9.790 2.711 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.381 -9.859 0.762 1.00 0.00 C ATOM 676 CE1 TYR A 47 -2.031 -10.834 3.259 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.657 -10.904 1.301 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.986 -11.388 2.551 1.00 0.00 C ATOM 679 OH TYR A 47 -0.267 -12.429 3.092 1.00 0.00 O ATOM 0 H TYR A 47 -4.354 -8.543 -1.907 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.015 -9.333 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.606 -7.620 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.463 -7.424 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.568 -9.359 3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.120 -9.482 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.286 -11.214 4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.162 -11.340 0.748 1.00 0.00 H new ATOM 0 HH TYR A 47 0.433 -12.704 2.464 1.00 0.00 H new ATOM 689 N THR A 48 -6.063 -6.974 1.153 1.00 0.00 N ATOM 690 CA THR A 48 -6.985 -5.845 1.154 1.00 0.00 C ATOM 691 C THR A 48 -6.613 -4.831 2.229 1.00 0.00 C ATOM 692 O THR A 48 -5.938 -5.164 3.204 1.00 0.00 O ATOM 693 CB THR A 48 -8.437 -6.307 1.381 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.348 -5.302 0.921 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.691 -6.593 2.853 1.00 0.00 C ATOM 0 H THR A 48 -5.923 -7.405 2.067 1.00 0.00 H new ATOM 0 HA THR A 48 -6.909 -5.374 0.174 1.00 0.00 H new ATOM 0 HB THR A 48 -8.595 -7.226 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.269 -5.604 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.723 -6.917 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.016 -7.379 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.516 -5.688 3.435 1.00 0.00 H new ATOM 703 N LEU A 49 -7.057 -3.593 2.047 1.00 0.00 N ATOM 704 CA LEU A 49 -6.770 -2.528 3.002 1.00 0.00 C ATOM 705 C LEU A 49 -7.994 -2.223 3.860 1.00 0.00 C ATOM 706 O LEU A 49 -9.068 -1.919 3.340 1.00 0.00 O ATOM 707 CB LEU A 49 -6.319 -1.264 2.268 1.00 0.00 C ATOM 708 CG LEU A 49 -5.066 -1.402 1.403 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.039 -0.327 0.328 1.00 0.00 C ATOM 710 CD2 LEU A 49 -3.813 -1.331 2.263 1.00 0.00 C ATOM 0 H LEU A 49 -7.618 -3.301 1.246 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.966 -2.866 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.138 -0.924 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.142 -0.482 3.007 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.091 -2.376 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.140 -0.441 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.919 -0.425 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.038 0.657 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.931 -1.431 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.781 -0.372 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.828 -2.139 2.995 1.00 0.00 H new ATOM 722 N ILE A 50 -7.824 -2.303 5.175 1.00 0.00 N ATOM 723 CA ILE A 50 -8.913 -2.032 6.104 1.00 0.00 C ATOM 724 C ILE A 50 -8.638 -0.774 6.922 1.00 0.00 C ATOM 725 O ILE A 50 -7.553 -0.610 7.479 1.00 0.00 O ATOM 726 CB ILE A 50 -9.143 -3.214 7.064 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.403 -4.498 6.272 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.305 -2.918 8.001 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.108 -5.759 7.053 1.00 0.00 C ATOM 0 H ILE A 50 -6.942 -2.554 5.621 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.810 -1.883 5.503 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.245 -3.355 7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.445 -4.514 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.793 -4.488 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.455 -3.763 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.083 -2.025 8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.211 -2.754 7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.315 -6.629 6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.059 -5.766 7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.737 -5.792 7.942 1.00 0.00 H new ATOM 741 N GLU A 51 -9.630 0.109 6.991 1.00 0.00 N ATOM 742 CA GLU A 51 -9.494 1.351 7.742 1.00 0.00 C ATOM 743 C GLU A 51 -10.188 1.247 9.097 1.00 0.00 C ATOM 744 O GLU A 51 -11.417 1.260 9.181 1.00 0.00 O ATOM 745 CB GLU A 51 -10.078 2.521 6.947 1.00 0.00 C ATOM 746 CG GLU A 51 -9.170 3.012 5.832 1.00 0.00 C ATOM 747 CD GLU A 51 -9.375 4.481 5.516 1.00 0.00 C ATOM 748 OE1 GLU A 51 -10.528 4.951 5.609 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.383 5.159 5.178 1.00 0.00 O ATOM 0 H GLU A 51 -10.535 -0.013 6.537 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.432 1.529 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.034 2.218 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.282 3.347 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.131 2.847 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.353 2.422 4.934 1.00 0.00 H new ATOM 756 N LYS A 52 -9.393 1.142 10.156 1.00 0.00 N ATOM 757 CA LYS A 52 -9.929 1.035 11.508 1.00 0.00 C ATOM 758 C LYS A 52 -10.008 2.406 12.172 1.00 0.00 C ATOM 759 O LYS A 52 -8.985 3.034 12.444 1.00 0.00 O ATOM 760 CB LYS A 52 -9.060 0.099 12.351 1.00 0.00 C ATOM 761 CG LYS A 52 -9.705 -0.313 13.663 1.00 0.00 C ATOM 762 CD LYS A 52 -8.788 -1.209 14.478 1.00 0.00 C ATOM 763 CE LYS A 52 -9.298 -1.382 15.901 1.00 0.00 C ATOM 764 NZ LYS A 52 -8.856 -0.270 16.788 1.00 0.00 N ATOM 0 H LYS A 52 -8.374 1.129 10.104 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.936 0.624 11.441 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.835 -0.795 11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.110 0.590 12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.955 0.576 14.242 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.640 -0.835 13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.709 -2.184 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.785 -0.782 14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.387 -1.429 15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.941 -2.330 16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.224 -0.425 17.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.817 -0.240 16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.218 0.633 16.420 1.00 0.00 H new ATOM 778 N TRP A 53 -11.228 2.863 12.430 1.00 0.00 N ATOM 779 CA TRP A 53 -11.440 4.160 13.064 1.00 0.00 C ATOM 780 C TRP A 53 -12.535 4.077 14.121 1.00 0.00 C ATOM 781 O TRP A 53 -13.596 3.499 13.885 1.00 0.00 O ATOM 782 CB TRP A 53 -11.806 5.210 12.013 1.00 0.00 C ATOM 783 CG TRP A 53 -12.351 6.476 12.603 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.631 7.534 13.078 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.730 6.813 12.783 1.00 0.00 C ATOM 786 NE1 TRP A 53 -12.480 8.510 13.542 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.773 8.092 13.372 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.934 6.161 12.502 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.972 8.728 13.684 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -16.123 6.793 12.814 1.00 0.00 C ATOM 791 CH2 TRP A 53 -16.135 8.066 13.399 1.00 0.00 C ATOM 0 H TRP A 53 -12.085 2.356 12.210 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.511 4.454 13.553 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.921 5.445 11.421 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.544 4.789 11.330 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.553 7.595 13.088 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -12.194 9.401 13.947 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.935 5.181 12.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.983 9.709 14.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.059 6.297 12.603 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -17.081 8.534 13.629 1.00 0.00 H new ATOM 802 N ARG A 54 -12.271 4.658 15.287 1.00 0.00 N ATOM 803 CA ARG A 54 -13.235 4.648 16.381 1.00 0.00 C ATOM 804 C ARG A 54 -13.837 3.258 16.562 1.00 0.00 C ATOM 805 O ARG A 54 -15.042 3.115 16.773 1.00 0.00 O ATOM 806 CB ARG A 54 -14.345 5.667 16.120 1.00 0.00 C ATOM 807 CG ARG A 54 -13.943 7.100 16.430 1.00 0.00 C ATOM 808 CD ARG A 54 -14.143 7.428 17.901 1.00 0.00 C ATOM 809 NE ARG A 54 -13.742 8.797 18.216 1.00 0.00 N ATOM 810 CZ ARG A 54 -12.481 9.212 18.215 1.00 0.00 C ATOM 811 NH1 ARG A 54 -11.502 8.369 17.918 1.00 0.00 N ATOM 812 NH2 ARG A 54 -12.196 10.474 18.512 1.00 0.00 N ATOM 0 H ARG A 54 -11.398 5.141 15.498 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.710 4.920 17.297 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.648 5.602 15.075 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.216 5.405 16.721 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.898 7.252 16.161 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.532 7.785 15.820 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.191 7.288 18.164 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.565 6.732 18.509 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.471 9.471 18.450 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.717 7.398 17.689 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.534 8.691 17.918 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.946 11.126 18.741 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.227 10.792 18.511 1.00 0.00 H new ATOM 826 N ASP A 55 -12.992 2.237 16.478 1.00 0.00 N ATOM 827 CA ASP A 55 -13.440 0.858 16.633 1.00 0.00 C ATOM 828 C ASP A 55 -14.358 0.452 15.483 1.00 0.00 C ATOM 829 O ASP A 55 -15.259 -0.369 15.654 1.00 0.00 O ATOM 830 CB ASP A 55 -14.166 0.682 17.967 1.00 0.00 C ATOM 831 CG ASP A 55 -14.145 -0.753 18.454 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.056 -1.365 18.449 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.216 -1.264 18.841 1.00 0.00 O ATOM 0 H ASP A 55 -11.992 2.338 16.303 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.561 0.213 16.618 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.703 1.324 18.717 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.200 1.011 17.861 1.00 0.00 H new ATOM 838 N THR A 56 -14.122 1.034 14.311 1.00 0.00 N ATOM 839 CA THR A 56 -14.928 0.736 13.134 1.00 0.00 C ATOM 840 C THR A 56 -14.064 0.203 11.997 1.00 0.00 C ATOM 841 O THR A 56 -13.216 0.918 11.463 1.00 0.00 O ATOM 842 CB THR A 56 -15.690 1.981 12.645 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.473 2.528 13.712 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.595 1.636 11.471 1.00 0.00 C ATOM 0 H THR A 56 -13.379 1.714 14.152 1.00 0.00 H new ATOM 0 HA THR A 56 -15.647 -0.028 13.429 1.00 0.00 H new ATOM 0 HB THR A 56 -14.959 2.720 12.316 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.895 3.048 14.309 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.123 2.532 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.993 1.248 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.318 0.881 11.779 1.00 0.00 H new ATOM 852 N GLU A 57 -14.285 -1.055 11.631 1.00 0.00 N ATOM 853 CA GLU A 57 -13.525 -1.682 10.556 1.00 0.00 C ATOM 854 C GLU A 57 -14.313 -1.663 9.250 1.00 0.00 C ATOM 855 O GLU A 57 -15.462 -2.100 9.199 1.00 0.00 O ATOM 856 CB GLU A 57 -13.167 -3.123 10.928 1.00 0.00 C ATOM 857 CG GLU A 57 -12.115 -3.227 12.019 1.00 0.00 C ATOM 858 CD GLU A 57 -12.007 -4.626 12.594 1.00 0.00 C ATOM 859 OE1 GLU A 57 -11.518 -5.525 11.878 1.00 0.00 O ATOM 860 OE2 GLU A 57 -12.411 -4.822 13.759 1.00 0.00 O ATOM 0 H GLU A 57 -14.984 -1.660 12.063 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.607 -1.112 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.069 -3.640 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.808 -3.640 10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.148 -2.929 11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.356 -2.527 12.819 1.00 0.00 H new ATOM 867 N ARG A 58 -13.686 -1.153 8.195 1.00 0.00 N ATOM 868 CA ARG A 58 -14.328 -1.074 6.888 1.00 0.00 C ATOM 869 C ARG A 58 -13.413 -1.625 5.799 1.00 0.00 C ATOM 870 O ARG A 58 -12.217 -1.334 5.772 1.00 0.00 O ATOM 871 CB ARG A 58 -14.705 0.373 6.568 1.00 0.00 C ATOM 872 CG ARG A 58 -15.178 0.577 5.138 1.00 0.00 C ATOM 873 CD ARG A 58 -16.659 0.264 4.991 1.00 0.00 C ATOM 874 NE ARG A 58 -17.495 1.215 5.718 1.00 0.00 N ATOM 875 CZ ARG A 58 -18.796 1.043 5.924 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.406 -0.038 5.459 1.00 0.00 N ATOM 877 NH2 ARG A 58 -19.489 1.954 6.595 1.00 0.00 N ATOM 0 H ARG A 58 -12.734 -0.788 8.220 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.234 -1.680 6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.491 0.694 7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.842 1.013 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.991 1.607 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.602 -0.062 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.929 0.278 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.854 -0.744 5.357 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.056 2.058 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.876 -0.740 4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.405 -0.168 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.023 2.788 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.488 1.821 6.753 1.00 0.00 H new ATOM 891 N HIS A 59 -13.983 -2.425 4.903 1.00 0.00 N ATOM 892 CA HIS A 59 -13.219 -3.017 3.811 1.00 0.00 C ATOM 893 C HIS A 59 -13.230 -2.109 2.585 1.00 0.00 C ATOM 894 O HIS A 59 -14.279 -1.608 2.179 1.00 0.00 O ATOM 895 CB HIS A 59 -13.787 -4.389 3.448 1.00 0.00 C ATOM 896 CG HIS A 59 -13.542 -5.434 4.493 1.00 0.00 C ATOM 897 ND1 HIS A 59 -13.093 -6.704 4.196 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.683 -5.391 5.838 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.971 -7.398 5.314 1.00 0.00 C ATOM 900 NE2 HIS A 59 -13.322 -6.624 6.325 1.00 0.00 N ATOM 0 H HIS A 59 -14.971 -2.678 4.912 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.188 -3.135 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.860 -4.297 3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.347 -4.718 2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.017 -4.545 6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.641 -8.424 5.388 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.325 -6.897 7.308 1.00 0.00 H new ATOM 909 N LEU A 60 -12.056 -1.899 1.999 1.00 0.00 N ATOM 910 CA LEU A 60 -11.929 -1.050 0.820 1.00 0.00 C ATOM 911 C LEU A 60 -11.934 -1.886 -0.456 1.00 0.00 C ATOM 912 O LEU A 60 -11.666 -3.087 -0.424 1.00 0.00 O ATOM 913 CB LEU A 60 -10.645 -0.224 0.897 1.00 0.00 C ATOM 914 CG LEU A 60 -10.704 1.030 1.771 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.334 0.696 3.208 1.00 0.00 C ATOM 916 CD2 LEU A 60 -9.785 2.109 1.219 1.00 0.00 C ATOM 0 H LEU A 60 -11.178 -2.306 2.322 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.785 -0.376 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.846 -0.865 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.368 0.075 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.725 1.410 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.381 1.600 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.033 -0.042 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.323 0.291 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.840 2.994 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.760 1.739 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.096 2.369 0.207 1.00 0.00 H new ATOM 928 N ALA A 61 -12.238 -1.243 -1.578 1.00 0.00 N ATOM 929 CA ALA A 61 -12.273 -1.926 -2.865 1.00 0.00 C ATOM 930 C ALA A 61 -10.913 -1.869 -3.554 1.00 0.00 C ATOM 931 O ALA A 61 -10.132 -0.937 -3.362 1.00 0.00 O ATOM 932 CB ALA A 61 -13.345 -1.317 -3.757 1.00 0.00 C ATOM 0 H ALA A 61 -12.464 -0.249 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.517 -2.973 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.360 -1.837 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.318 -1.415 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.126 -0.262 -3.920 1.00 0.00 H new ATOM 938 N PRO A 62 -10.622 -2.888 -4.376 1.00 0.00 N ATOM 939 CA PRO A 62 -9.356 -2.977 -5.110 1.00 0.00 C ATOM 940 C PRO A 62 -9.251 -1.929 -6.213 1.00 0.00 C ATOM 941 O PRO A 62 -8.159 -1.628 -6.695 1.00 0.00 O ATOM 942 CB PRO A 62 -9.392 -4.384 -5.710 1.00 0.00 C ATOM 943 CG PRO A 62 -10.841 -4.714 -5.815 1.00 0.00 C ATOM 944 CD PRO A 62 -11.507 -4.033 -4.652 1.00 0.00 C ATOM 0 HA PRO A 62 -8.497 -2.797 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.908 -4.411 -6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.868 -5.099 -5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.253 -4.363 -6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.999 -5.792 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.518 -3.709 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.588 -4.696 -3.790 1.00 0.00 H new ATOM 952 N HIS A 63 -10.394 -1.376 -6.608 1.00 0.00 N ATOM 953 CA HIS A 63 -10.429 -0.361 -7.654 1.00 0.00 C ATOM 954 C HIS A 63 -10.384 1.041 -7.053 1.00 0.00 C ATOM 955 O HIS A 63 -10.088 2.014 -7.746 1.00 0.00 O ATOM 956 CB HIS A 63 -11.688 -0.521 -8.508 1.00 0.00 C ATOM 957 CG HIS A 63 -12.949 -0.614 -7.704 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.678 0.491 -7.319 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.609 -1.689 -7.214 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.733 0.099 -6.626 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.714 -1.219 -6.548 1.00 0.00 N ATOM 0 H HIS A 63 -11.307 -1.614 -6.220 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.551 -0.496 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.764 0.325 -9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.590 -1.417 -9.120 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.320 -2.724 -7.326 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.483 0.747 -6.197 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.408 -1.795 -6.071 1.00 0.00 H new ATOM 970 N GLU A 64 -10.680 1.135 -5.760 1.00 0.00 N ATOM 971 CA GLU A 64 -10.674 2.418 -5.068 1.00 0.00 C ATOM 972 C GLU A 64 -9.248 2.860 -4.752 1.00 0.00 C ATOM 973 O GLU A 64 -8.284 2.192 -5.124 1.00 0.00 O ATOM 974 CB GLU A 64 -11.490 2.329 -3.776 1.00 0.00 C ATOM 975 CG GLU A 64 -12.992 2.311 -4.004 1.00 0.00 C ATOM 976 CD GLU A 64 -13.596 3.701 -4.021 1.00 0.00 C ATOM 977 OE1 GLU A 64 -12.893 4.650 -4.427 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.773 3.840 -3.627 1.00 0.00 O ATOM 0 H GLU A 64 -10.927 0.339 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.128 3.159 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.202 1.427 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.238 3.176 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.206 1.814 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.468 1.722 -3.220 1.00 0.00 H new ATOM 985 N ASN A 65 -9.123 3.990 -4.064 1.00 0.00 N ATOM 986 CA ASN A 65 -7.815 4.522 -3.699 1.00 0.00 C ATOM 987 C ASN A 65 -7.730 4.773 -2.197 1.00 0.00 C ATOM 988 O ASN A 65 -8.699 5.176 -1.554 1.00 0.00 O ATOM 989 CB ASN A 65 -7.539 5.820 -4.461 1.00 0.00 C ATOM 990 CG ASN A 65 -8.082 5.787 -5.876 1.00 0.00 C ATOM 991 OD1 ASN A 65 -9.236 6.143 -6.119 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.251 5.358 -6.819 1.00 0.00 N ATOM 0 H ASN A 65 -9.911 4.555 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.061 3.783 -3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.986 6.656 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.464 5.999 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.561 5.314 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.303 5.073 -6.572 1.00 0.00 H new ATOM 999 N PRO A 66 -6.542 4.530 -1.623 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.301 4.723 -0.190 1.00 0.00 C ATOM 1001 C PRO A 66 -6.300 6.196 0.204 1.00 0.00 C ATOM 1002 O PRO A 66 -6.987 6.597 1.144 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.913 4.112 0.022 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.250 4.208 -1.309 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.343 4.048 -2.329 1.00 0.00 C ATOM 0 HA PRO A 66 -7.081 4.266 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.353 4.655 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.983 3.077 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.745 5.167 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.492 3.433 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.143 4.633 -3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.451 3.010 -2.642 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.525 6.997 -0.520 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.437 8.426 -0.246 1.00 0.00 C ATOM 1015 C ILE A 67 -6.812 9.082 -0.303 1.00 0.00 C ATOM 1016 O ILE A 67 -7.285 9.641 0.687 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.501 9.133 -1.244 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.102 8.516 -1.190 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.440 10.624 -0.947 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.108 9.191 -2.109 1.00 0.00 C ATOM 0 H ILE A 67 -4.949 6.681 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.029 8.531 0.759 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.898 8.998 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.731 8.567 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.169 7.460 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.775 11.110 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.438 11.053 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.063 10.778 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.138 8.702 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.457 9.118 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.012 10.241 -1.833 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.449 9.009 -1.467 1.00 0.00 N ATOM 1033 CA ILE A 68 -8.771 9.594 -1.651 1.00 0.00 C ATOM 1034 C ILE A 68 -9.673 9.302 -0.457 1.00 0.00 C ATOM 1035 O ILE A 68 -10.112 10.216 0.241 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.446 9.067 -2.931 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.657 9.503 -4.167 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -10.884 9.559 -3.013 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -9.520 9.711 -5.392 1.00 0.00 C ATOM 0 H ILE A 68 -7.071 8.551 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.630 10.671 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.457 7.978 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.129 10.430 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.900 8.751 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.348 9.178 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.440 9.203 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.895 10.649 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.894 10.019 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.028 8.779 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.260 10.485 -5.188 1.00 0.00 H new ATOM 1051 N SER A 69 -9.944 8.021 -0.226 1.00 0.00 N ATOM 1052 CA SER A 69 -10.795 7.608 0.883 1.00 0.00 C ATOM 1053 C SER A 69 -10.365 8.286 2.180 1.00 0.00 C ATOM 1054 O SER A 69 -11.137 9.023 2.795 1.00 0.00 O ATOM 1055 CB SER A 69 -10.750 6.088 1.050 1.00 0.00 C ATOM 1056 OG SER A 69 -11.270 5.697 2.309 1.00 0.00 O ATOM 0 H SER A 69 -9.586 7.252 -0.792 1.00 0.00 H new ATOM 0 HA SER A 69 -11.817 7.911 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.324 5.614 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.722 5.739 0.953 1.00 0.00 H new ATOM 0 HG SER A 69 -11.231 4.721 2.390 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.127 8.031 2.591 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.592 8.617 3.815 1.00 0.00 C ATOM 1064 C LEU A 70 -8.786 10.130 3.826 1.00 0.00 C ATOM 1065 O LEU A 70 -8.975 10.734 4.881 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.107 8.280 3.958 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.540 8.332 5.377 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.108 7.820 5.399 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -6.610 9.748 5.929 1.00 0.00 C ATOM 0 H LEU A 70 -8.476 7.423 2.095 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.137 8.194 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.942 7.279 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.537 8.969 3.335 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.145 7.686 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.721 7.865 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.085 6.789 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.490 8.439 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.202 9.765 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.030 10.416 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.648 10.079 5.951 1.00 0.00 H new ATOM 1081 N ASN A 71 -8.739 10.735 2.644 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.911 12.178 2.516 1.00 0.00 C ATOM 1083 C ASN A 71 -10.314 12.598 2.944 1.00 0.00 C ATOM 1084 O ASN A 71 -10.494 13.628 3.594 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.652 12.618 1.074 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.123 14.037 0.989 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -8.849 14.998 1.247 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -6.854 14.175 0.624 1.00 0.00 N ATOM 0 H ASN A 71 -8.583 10.249 1.761 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.189 12.665 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.936 11.938 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.577 12.543 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.444 15.106 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.290 13.350 0.420 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.304 11.793 2.576 1.00 0.00 N ATOM 1096 CA LYS A 72 -12.692 12.079 2.922 1.00 0.00 C ATOM 1097 C LYS A 72 -12.800 12.594 4.354 1.00 0.00 C ATOM 1098 O LYS A 72 -13.279 13.704 4.589 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.550 10.823 2.755 1.00 0.00 C ATOM 1100 CG LYS A 72 -13.604 10.309 1.327 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.450 11.209 0.442 1.00 0.00 C ATOM 1102 CE LYS A 72 -13.964 11.190 -0.999 1.00 0.00 C ATOM 1103 NZ LYS A 72 -14.242 9.885 -1.660 1.00 0.00 N ATOM 0 H LYS A 72 -11.172 10.937 2.038 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.057 12.853 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.158 10.037 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.564 11.038 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.593 10.246 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.014 9.299 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.490 10.885 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.419 12.229 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.450 11.991 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.893 11.389 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.896 9.912 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.758 9.124 -1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.267 9.707 -1.659 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.352 11.784 5.305 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.397 12.159 6.714 1.00 0.00 C ATOM 1119 C TRP A 73 -11.939 13.600 6.908 1.00 0.00 C ATOM 1120 O TRP A 73 -12.674 14.429 7.442 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.523 11.217 7.543 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.943 9.781 7.449 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.380 8.812 6.669 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.016 9.154 8.159 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.039 7.620 6.851 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.046 7.803 7.761 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -13.954 9.601 9.094 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.977 6.899 8.266 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.877 8.703 9.594 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.883 7.364 9.179 1.00 0.00 C ATOM 0 H TRP A 73 -11.953 10.862 5.127 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.430 12.076 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.488 11.308 7.213 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.553 11.529 8.587 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.540 8.961 6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.815 6.741 6.384 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.957 10.631 9.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.983 5.867 7.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.606 9.038 10.317 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.618 6.686 9.588 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.718 13.893 6.470 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.183 15.235 6.605 1.00 0.00 C ATOM 1143 C GLY A 74 -9.873 15.594 8.044 1.00 0.00 C ATOM 1144 O GLY A 74 -8.803 15.265 8.555 1.00 0.00 O ATOM 0 H GLY A 74 -10.090 13.224 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.275 15.322 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.899 15.951 6.202 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.811 16.270 8.699 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.631 16.676 10.088 1.00 0.00 C ATOM 1150 C GLN A 75 -10.098 15.519 10.928 1.00 0.00 C ATOM 1151 O GLN A 75 -9.160 15.686 11.707 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.953 17.178 10.670 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.124 16.243 10.417 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.463 16.891 10.709 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -14.877 16.992 11.864 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -15.148 17.335 9.662 1.00 0.00 N ATOM 0 H GLN A 75 -11.703 16.548 8.290 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.901 17.485 10.112 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.837 17.319 11.745 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.180 18.155 10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.103 15.914 9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.013 15.353 11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.767 17.231 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.055 17.781 9.798 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.704 14.349 10.765 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.293 13.165 11.510 1.00 0.00 C ATOM 1167 C TYR A 76 -9.665 12.128 10.583 1.00 0.00 C ATOM 1168 O TYR A 76 -9.940 10.934 10.692 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.491 12.554 12.240 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.708 13.119 13.625 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.515 14.232 13.825 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -11.106 12.539 14.735 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.716 14.751 15.089 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -11.302 13.051 16.003 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.107 14.157 16.175 1.00 0.00 C ATOM 1176 OH TYR A 76 -12.306 14.671 17.436 1.00 0.00 O ATOM 0 H TYR A 76 -11.482 14.195 10.123 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.546 13.470 12.243 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.390 12.717 11.645 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.349 11.476 12.315 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.994 14.700 12.977 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.474 11.673 14.604 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.346 15.617 15.226 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.827 12.587 16.855 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.808 14.137 18.089 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.819 12.595 9.671 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.149 11.710 8.726 1.00 0.00 C ATOM 1188 C ALA A 77 -7.002 10.960 9.395 1.00 0.00 C ATOM 1189 O ALA A 77 -6.919 9.735 9.316 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.639 12.502 7.531 1.00 0.00 C ATOM 0 H ALA A 77 -8.581 13.581 9.566 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.875 10.975 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.141 11.828 6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.478 12.987 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.933 13.259 7.871 1.00 0.00 H new ATOM 1196 N SER A 78 -6.119 11.704 10.053 1.00 0.00 N ATOM 1197 CA SER A 78 -4.973 11.110 10.732 1.00 0.00 C ATOM 1198 C SER A 78 -5.417 9.983 11.660 1.00 0.00 C ATOM 1199 O SER A 78 -4.833 8.899 11.660 1.00 0.00 O ATOM 1200 CB SER A 78 -4.217 12.174 11.529 1.00 0.00 C ATOM 1201 OG SER A 78 -3.245 12.819 10.725 1.00 0.00 O ATOM 0 H SER A 78 -6.175 12.720 10.130 1.00 0.00 H new ATOM 0 HA SER A 78 -4.308 10.694 9.975 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.921 12.911 11.916 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.733 11.713 12.390 1.00 0.00 H new ATOM 0 HG SER A 78 -2.777 13.496 11.257 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.452 10.247 12.448 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.976 9.255 13.380 1.00 0.00 C ATOM 1209 C ASP A 79 -7.176 7.911 12.688 1.00 0.00 C ATOM 1210 O ASP A 79 -6.994 6.855 13.295 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.299 9.736 13.980 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.613 9.065 15.302 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.916 9.358 16.296 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.556 8.247 15.344 1.00 0.00 O ATOM 0 H ASP A 79 -6.945 11.140 12.461 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.248 9.126 14.181 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.258 10.816 14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.107 9.539 13.275 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.553 7.957 11.414 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.778 6.743 10.639 1.00 0.00 C ATOM 1221 C VAL A 80 -6.470 5.999 10.392 1.00 0.00 C ATOM 1222 O VAL A 80 -5.508 6.570 9.880 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.442 7.056 9.285 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.558 5.795 8.443 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.807 7.693 9.497 1.00 0.00 C ATOM 0 H VAL A 80 -7.709 8.822 10.897 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.446 6.112 11.225 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.814 7.766 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.029 6.036 7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.564 5.385 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.164 5.059 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.262 7.908 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.446 7.008 10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.693 8.620 10.058 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.444 4.721 10.758 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.254 3.899 10.575 1.00 0.00 C ATOM 1237 C GLN A 81 -5.530 2.748 9.613 1.00 0.00 C ATOM 1238 O GLN A 81 -6.606 2.150 9.636 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.776 3.351 11.921 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.406 4.434 12.922 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.523 5.509 12.319 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.787 5.261 11.363 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.593 6.713 12.875 1.00 0.00 N ATOM 0 H GLN A 81 -7.233 4.233 11.183 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.472 4.526 10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.560 2.725 12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.910 2.709 11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.316 4.892 13.309 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.892 3.980 13.769 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.217 6.874 13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.023 7.477 12.511 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.551 2.443 8.768 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.689 1.363 7.796 1.00 0.00 C ATOM 1254 C LEU A 82 -4.120 0.060 8.347 1.00 0.00 C ATOM 1255 O LEU A 82 -3.167 0.068 9.127 1.00 0.00 O ATOM 1256 CB LEU A 82 -3.979 1.731 6.492 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.759 2.635 5.536 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -5.917 1.874 4.908 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.264 3.872 6.263 1.00 0.00 C ATOM 0 H LEU A 82 -3.654 2.927 8.736 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.751 1.219 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.039 2.223 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.728 0.810 5.966 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.087 2.956 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.461 2.533 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.532 1.020 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.589 1.524 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.816 4.503 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.920 3.571 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.417 4.429 6.664 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.709 -1.058 7.936 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.259 -2.369 8.386 1.00 0.00 C ATOM 1273 C ILE A 83 -4.346 -3.395 7.262 1.00 0.00 C ATOM 1274 O ILE A 83 -5.434 -3.722 6.786 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.086 -2.867 9.586 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -4.966 -1.890 10.757 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.632 -4.258 10.001 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.002 -2.111 11.837 1.00 0.00 C ATOM 0 H ILE A 83 -5.499 -1.082 7.292 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.219 -2.257 8.693 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.133 -2.921 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.972 -1.980 11.195 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.057 -0.871 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.226 -4.596 10.850 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.765 -4.948 9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.580 -4.228 10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.857 -1.383 12.635 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.000 -1.992 11.414 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.897 -3.118 12.241 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.192 -3.903 6.842 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.137 -4.896 5.774 1.00 0.00 C ATOM 1292 C LEU A 84 -3.475 -6.285 6.304 1.00 0.00 C ATOM 1293 O LEU A 84 -2.751 -6.838 7.131 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.748 -4.906 5.132 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.645 -5.586 3.767 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.512 -4.868 2.745 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.196 -5.632 3.302 1.00 0.00 C ATOM 0 H LEU A 84 -2.283 -3.644 7.224 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.877 -4.625 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.410 -3.875 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.057 -5.401 5.815 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.007 -6.609 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.425 -5.367 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.552 -4.888 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.181 -3.834 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.142 -6.119 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.193 -4.617 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.400 -6.193 4.022 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.579 -6.845 5.820 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.013 -8.170 6.244 1.00 0.00 C ATOM 1311 C ARG A 85 -5.746 -8.890 5.115 1.00 0.00 C ATOM 1312 O ARG A 85 -6.263 -8.256 4.195 1.00 0.00 O ATOM 1313 CB ARG A 85 -5.922 -8.065 7.470 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.347 -9.412 8.031 1.00 0.00 C ATOM 1315 CD ARG A 85 -7.427 -9.259 9.090 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.644 -10.496 9.834 1.00 0.00 N ATOM 1317 CZ ARG A 85 -8.337 -11.527 9.362 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -8.877 -11.467 8.152 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -8.490 -12.619 10.099 1.00 0.00 N ATOM 0 H ARG A 85 -5.189 -6.401 5.134 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.127 -8.748 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.405 -7.504 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.812 -7.495 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.715 -10.044 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.482 -9.917 8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.146 -8.465 9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.359 -8.953 8.615 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.241 -10.573 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.761 -10.629 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.409 -12.259 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.075 -12.668 11.030 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.022 -13.409 9.735 1.00 0.00 H new ATOM 1333 N ARG A 86 -5.785 -10.216 5.193 1.00 0.00 N ATOM 1334 CA ARG A 86 -6.452 -11.021 4.177 1.00 0.00 C ATOM 1335 C ARG A 86 -7.969 -10.898 4.295 1.00 0.00 C ATOM 1336 O ARG A 86 -8.536 -11.081 5.373 1.00 0.00 O ATOM 1337 CB ARG A 86 -6.038 -12.488 4.305 1.00 0.00 C ATOM 1338 CG ARG A 86 -6.305 -13.308 3.054 1.00 0.00 C ATOM 1339 CD ARG A 86 -5.246 -13.063 1.990 1.00 0.00 C ATOM 1340 NE ARG A 86 -5.536 -13.783 0.753 1.00 0.00 N ATOM 1341 CZ ARG A 86 -6.445 -13.389 -0.131 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -7.149 -12.286 0.083 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -6.651 -14.098 -1.234 1.00 0.00 N ATOM 0 H ARG A 86 -5.363 -10.755 5.949 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.149 -10.649 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.975 -12.537 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.572 -12.936 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.327 -14.367 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.288 -13.056 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.182 -11.995 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.272 -13.372 2.370 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.011 -14.636 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.993 -11.737 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.847 -11.986 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.111 -14.946 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.350 -13.794 -1.912 1.00 0.00 H new