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= -0.339 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 161:sc= -0.0338 (180deg=-0.431) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -150:sc= -0.487 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 39 GLN : amide:sc=-0.00316 K(o=-0.0032,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00552 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= 0.136 USER MOD Single : A 59 HIS : no HD1:sc= -0.087 K(o=-0.087,f=-0.64) USER MOD Single : A 63 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-4.2!) USER MOD Single : A 65 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 69 SER OG : rot 140:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= 1.62 (180deg=0.186) 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= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.138 12.068 -4.426 1.00 0.00 N ATOM 60 CA GLY A 7 3.759 11.782 -4.074 1.00 0.00 C ATOM 61 C GLY A 7 3.511 11.869 -2.582 1.00 0.00 C ATOM 62 O GLY A 7 3.910 12.837 -1.935 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.103 12.483 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.497 10.784 -4.425 1.00 0.00 H new ATOM 66 N MET A 8 2.849 10.855 -2.033 1.00 0.00 N ATOM 67 CA MET A 8 2.548 10.822 -0.607 1.00 0.00 C ATOM 68 C MET A 8 2.827 9.439 -0.025 1.00 0.00 C ATOM 69 O MET A 8 3.202 8.516 -0.747 1.00 0.00 O ATOM 70 CB MET A 8 1.088 11.205 -0.363 1.00 0.00 C ATOM 71 CG MET A 8 0.616 12.373 -1.214 1.00 0.00 C ATOM 72 SD MET A 8 -0.718 13.304 -0.437 1.00 0.00 S ATOM 73 CE MET A 8 -1.903 13.382 -1.779 1.00 0.00 C ATOM 0 H MET A 8 2.511 10.046 -2.554 1.00 0.00 H new ATOM 0 HA MET A 8 3.194 11.545 -0.108 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.456 10.340 -0.564 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.958 11.457 0.689 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.456 13.041 -1.406 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.278 12.000 -2.181 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.890 13.615 -1.380 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.604 14.158 -2.484 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.936 12.420 -2.291 1.00 0.00 H new ATOM 83 N GLU A 9 2.642 9.305 1.285 1.00 0.00 N ATOM 84 CA GLU A 9 2.875 8.035 1.963 1.00 0.00 C ATOM 85 C GLU A 9 1.632 7.590 2.727 1.00 0.00 C ATOM 86 O GLU A 9 0.839 8.416 3.180 1.00 0.00 O ATOM 87 CB GLU A 9 4.061 8.154 2.922 1.00 0.00 C ATOM 88 CG GLU A 9 4.237 9.547 3.503 1.00 0.00 C ATOM 89 CD GLU A 9 5.140 9.561 4.721 1.00 0.00 C ATOM 90 OE1 GLU A 9 4.852 8.818 5.682 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.135 10.316 4.714 1.00 0.00 O ATOM 0 H GLU A 9 2.332 10.060 1.897 1.00 0.00 H new ATOM 0 HA GLU A 9 3.103 7.285 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.930 7.443 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.973 7.871 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.652 10.205 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.261 9.950 3.774 1.00 0.00 H new ATOM 98 N LEU A 10 1.468 6.279 2.865 1.00 0.00 N ATOM 99 CA LEU A 10 0.320 5.722 3.573 1.00 0.00 C ATOM 100 C LEU A 10 0.772 4.862 4.749 1.00 0.00 C ATOM 101 O LEU A 10 1.566 3.935 4.586 1.00 0.00 O ATOM 102 CB LEU A 10 -0.539 4.891 2.619 1.00 0.00 C ATOM 103 CG LEU A 10 -2.019 4.770 2.981 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.729 6.099 2.775 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.683 3.676 2.158 1.00 0.00 C ATOM 0 H LEU A 10 2.115 5.582 2.496 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.275 6.550 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.464 5.326 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.116 3.888 2.562 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.094 4.500 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.782 5.994 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.271 6.858 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.644 6.399 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.736 3.605 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.597 3.915 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.192 2.723 2.356 1.00 0.00 H new ATOM 117 N LYS A 11 0.260 5.174 5.935 1.00 0.00 N ATOM 118 CA LYS A 11 0.606 4.429 7.139 1.00 0.00 C ATOM 119 C LYS A 11 -0.310 3.222 7.314 1.00 0.00 C ATOM 120 O LYS A 11 -1.515 3.369 7.519 1.00 0.00 O ATOM 121 CB LYS A 11 0.514 5.335 8.369 1.00 0.00 C ATOM 122 CG LYS A 11 1.768 6.156 8.615 1.00 0.00 C ATOM 123 CD LYS A 11 1.781 7.421 7.774 1.00 0.00 C ATOM 124 CE LYS A 11 2.955 8.318 8.133 1.00 0.00 C ATOM 125 NZ LYS A 11 2.652 9.755 7.886 1.00 0.00 N ATOM 0 H LYS A 11 -0.397 5.939 6.088 1.00 0.00 H new ATOM 0 HA LYS A 11 1.631 4.073 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.334 6.009 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.313 4.722 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.830 6.420 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.648 5.556 8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.834 7.156 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.848 7.965 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.212 8.176 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.827 8.025 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.477 10.333 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.431 9.895 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.835 10.042 8.463 1.00 0.00 H new ATOM 139 N VAL A 12 0.270 2.028 7.234 1.00 0.00 N ATOM 140 CA VAL A 12 -0.494 0.796 7.387 1.00 0.00 C ATOM 141 C VAL A 12 0.129 -0.110 8.443 1.00 0.00 C ATOM 142 O VAL A 12 1.317 -0.001 8.746 1.00 0.00 O ATOM 143 CB VAL A 12 -0.588 0.025 6.056 1.00 0.00 C ATOM 144 CG1 VAL A 12 -0.840 0.982 4.901 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.678 -0.786 5.820 1.00 0.00 C ATOM 0 H VAL A 12 1.266 1.888 7.064 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.497 1.083 7.704 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.429 -0.665 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.903 0.419 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.776 1.515 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.021 1.699 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.595 -1.324 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.537 -0.116 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.810 -1.499 6.634 1.00 0.00 H new ATOM 155 N TRP A 13 -0.680 -1.004 8.999 1.00 0.00 N ATOM 156 CA TRP A 13 -0.207 -1.930 10.023 1.00 0.00 C ATOM 157 C TRP A 13 -0.148 -3.354 9.482 1.00 0.00 C ATOM 158 O TRP A 13 -1.178 -4.005 9.306 1.00 0.00 O ATOM 159 CB TRP A 13 -1.118 -1.874 11.250 1.00 0.00 C ATOM 160 CG TRP A 13 -0.983 -0.604 12.033 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.694 0.548 11.856 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.079 -0.357 13.116 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.287 1.496 12.764 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.298 0.966 13.548 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.892 -1.125 13.764 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.420 1.534 14.597 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.605 -0.559 14.804 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.365 0.760 15.213 1.00 0.00 C ATOM 0 H TRP A 13 -1.666 -1.108 8.759 1.00 0.00 H new ATOM 0 HA TRP A 13 0.800 -1.630 10.313 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.154 -1.986 10.930 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.892 -2.719 11.900 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.463 0.693 11.112 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.661 2.442 12.841 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.082 -2.143 13.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.237 2.550 14.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.360 -1.143 15.310 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.937 1.173 16.030 1.00 0.00 H new ATOM 179 N VAL A 14 1.064 -3.834 9.220 1.00 0.00 N ATOM 180 CA VAL A 14 1.257 -5.182 8.701 1.00 0.00 C ATOM 181 C VAL A 14 1.748 -6.126 9.792 1.00 0.00 C ATOM 182 O VAL A 14 2.927 -6.123 10.146 1.00 0.00 O ATOM 183 CB VAL A 14 2.263 -5.196 7.535 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.259 -6.550 6.842 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.948 -4.082 6.547 1.00 0.00 C ATOM 0 H VAL A 14 1.927 -3.308 9.359 1.00 0.00 H new ATOM 0 HA VAL A 14 0.287 -5.523 8.339 1.00 0.00 H new ATOM 0 HB VAL A 14 3.261 -5.023 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.976 -6.541 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.536 -7.325 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.262 -6.756 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.668 -4.106 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.943 -4.222 6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.007 -3.119 7.054 1.00 0.00 H new ATOM 195 N ASP A 15 0.836 -6.934 10.323 1.00 0.00 N ATOM 196 CA ASP A 15 1.176 -7.886 11.374 1.00 0.00 C ATOM 197 C ASP A 15 1.657 -7.162 12.627 1.00 0.00 C ATOM 198 O ASP A 15 2.638 -7.565 13.251 1.00 0.00 O ATOM 199 CB ASP A 15 2.253 -8.855 10.884 1.00 0.00 C ATOM 200 CG ASP A 15 1.770 -9.731 9.745 1.00 0.00 C ATOM 201 OD1 ASP A 15 1.235 -9.180 8.760 1.00 0.00 O ATOM 202 OD2 ASP A 15 1.926 -10.966 9.838 1.00 0.00 O ATOM 0 H ASP A 15 -0.145 -6.948 10.042 1.00 0.00 H new ATOM 0 HA ASP A 15 0.278 -8.450 11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.126 -8.289 10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.574 -9.486 11.713 1.00 0.00 H new ATOM 207 N GLY A 16 0.959 -6.090 12.990 1.00 0.00 N ATOM 208 CA GLY A 16 1.331 -5.326 14.167 1.00 0.00 C ATOM 209 C GLY A 16 2.590 -4.509 13.954 1.00 0.00 C ATOM 210 O GLY A 16 3.250 -4.110 14.914 1.00 0.00 O ATOM 0 H GLY A 16 0.143 -5.737 12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.511 -4.661 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.480 -6.006 15.006 1.00 0.00 H new ATOM 214 N VAL A 17 2.926 -4.261 12.693 1.00 0.00 N ATOM 215 CA VAL A 17 4.115 -3.487 12.356 1.00 0.00 C ATOM 216 C VAL A 17 3.781 -2.360 11.385 1.00 0.00 C ATOM 217 O VAL A 17 3.283 -2.603 10.286 1.00 0.00 O ATOM 218 CB VAL A 17 5.208 -4.377 11.735 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.477 -3.575 11.494 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.487 -5.577 12.628 1.00 0.00 C ATOM 0 H VAL A 17 2.391 -4.585 11.887 1.00 0.00 H new ATOM 0 HA VAL A 17 4.489 -3.062 13.287 1.00 0.00 H new ATOM 0 HB VAL A 17 4.851 -4.744 10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.238 -4.221 11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.263 -2.751 10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.841 -3.177 12.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.262 -6.196 12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.824 -5.232 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.576 -6.164 12.744 1.00 0.00 H new ATOM 230 N GLN A 18 4.058 -1.128 11.799 1.00 0.00 N ATOM 231 CA GLN A 18 3.786 0.037 10.965 1.00 0.00 C ATOM 232 C GLN A 18 4.722 0.075 9.761 1.00 0.00 C ATOM 233 O GLN A 18 5.939 0.178 9.912 1.00 0.00 O ATOM 234 CB GLN A 18 3.935 1.322 11.782 1.00 0.00 C ATOM 235 CG GLN A 18 3.420 2.560 11.067 1.00 0.00 C ATOM 236 CD GLN A 18 3.630 3.828 11.872 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.209 4.798 11.382 1.00 0.00 O ATOM 238 NE2 GLN A 18 3.160 3.827 13.113 1.00 0.00 N ATOM 0 H GLN A 18 4.470 -0.911 12.706 1.00 0.00 H new ATOM 0 HA GLN A 18 2.761 -0.038 10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.399 1.208 12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.987 1.466 12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.925 2.656 10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.357 2.439 10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.686 3.001 13.478 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.272 4.653 13.702 1.00 0.00 H new ATOM 247 N ARG A 19 4.145 -0.009 8.567 1.00 0.00 N ATOM 248 CA ARG A 19 4.928 0.014 7.337 1.00 0.00 C ATOM 249 C ARG A 19 4.543 1.209 6.470 1.00 0.00 C ATOM 250 O ARG A 19 3.464 1.236 5.876 1.00 0.00 O ATOM 251 CB ARG A 19 4.724 -1.284 6.554 1.00 0.00 C ATOM 252 CG ARG A 19 5.709 -2.381 6.926 1.00 0.00 C ATOM 253 CD ARG A 19 6.955 -2.329 6.054 1.00 0.00 C ATOM 254 NE ARG A 19 7.994 -1.482 6.634 1.00 0.00 N ATOM 255 CZ ARG A 19 8.067 -0.171 6.437 1.00 0.00 C ATOM 256 NH1 ARG A 19 7.167 0.441 5.680 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.042 0.532 6.999 1.00 0.00 N ATOM 0 H ARG A 19 3.138 -0.094 8.425 1.00 0.00 H new ATOM 0 HA ARG A 19 5.980 0.107 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.710 -1.645 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.813 -1.073 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.992 -2.278 7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.229 -3.354 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.344 -3.338 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.690 -1.953 5.066 1.00 0.00 H new ATOM 0 HE ARG A 19 8.702 -1.921 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.415 -0.095 5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.226 1.448 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.736 0.065 7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.097 1.539 6.847 1.00 0.00 H new ATOM 271 N ILE A 20 5.431 2.195 6.403 1.00 0.00 N ATOM 272 CA ILE A 20 5.185 3.392 5.608 1.00 0.00 C ATOM 273 C ILE A 20 5.591 3.180 4.154 1.00 0.00 C ATOM 274 O ILE A 20 6.694 2.715 3.868 1.00 0.00 O ATOM 275 CB ILE A 20 5.946 4.607 6.170 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.410 4.977 7.555 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.832 5.789 5.219 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.377 3.813 8.520 1.00 0.00 C ATOM 0 H ILE A 20 6.327 2.189 6.890 1.00 0.00 H new ATOM 0 HA ILE A 20 4.114 3.589 5.658 1.00 0.00 H new ATOM 0 HB ILE A 20 6.999 4.344 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.029 5.770 7.975 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.403 5.380 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.375 6.640 5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.257 5.520 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.782 6.055 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.986 4.148 9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.735 3.028 8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.386 3.423 8.654 1.00 0.00 H new ATOM 290 N VAL A 21 4.691 3.525 3.238 1.00 0.00 N ATOM 291 CA VAL A 21 4.957 3.375 1.812 1.00 0.00 C ATOM 292 C VAL A 21 4.774 4.699 1.077 1.00 0.00 C ATOM 293 O VAL A 21 3.652 5.094 0.758 1.00 0.00 O ATOM 294 CB VAL A 21 4.034 2.317 1.178 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.436 2.054 -0.265 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.061 1.032 1.990 1.00 0.00 C ATOM 0 H VAL A 21 3.772 3.910 3.458 1.00 0.00 H new ATOM 0 HA VAL A 21 5.992 3.049 1.715 1.00 0.00 H new ATOM 0 HB VAL A 21 3.014 2.701 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.773 1.304 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.360 2.978 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.463 1.691 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.403 0.296 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.078 0.642 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.721 1.236 3.005 1.00 0.00 H new ATOM 306 N CYS A 22 5.884 5.379 0.812 1.00 0.00 N ATOM 307 CA CYS A 22 5.847 6.659 0.114 1.00 0.00 C ATOM 308 C CYS A 22 5.939 6.459 -1.395 1.00 0.00 C ATOM 309 O CYS A 22 6.446 5.442 -1.867 1.00 0.00 O ATOM 310 CB CYS A 22 6.989 7.557 0.592 1.00 0.00 C ATOM 311 SG CYS A 22 8.634 6.977 0.115 1.00 0.00 S ATOM 0 H CYS A 22 6.820 5.066 1.070 1.00 0.00 H new ATOM 0 HA CYS A 22 4.896 7.141 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.839 8.560 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.944 7.636 1.678 1.00 0.00 H new ATOM 0 HG CYS A 22 9.532 7.803 0.563 1.00 0.00 H new ATOM 317 N GLY A 23 5.444 7.437 -2.148 1.00 0.00 N ATOM 318 CA GLY A 23 5.478 7.348 -3.596 1.00 0.00 C ATOM 319 C GLY A 23 4.121 7.028 -4.190 1.00 0.00 C ATOM 320 O GLY A 23 3.955 7.017 -5.410 1.00 0.00 O ATOM 0 H GLY A 23 5.020 8.289 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.837 8.292 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.191 6.579 -3.893 1.00 0.00 H new ATOM 324 N VAL A 24 3.146 6.764 -3.325 1.00 0.00 N ATOM 325 CA VAL A 24 1.796 6.441 -3.771 1.00 0.00 C ATOM 326 C VAL A 24 0.950 7.701 -3.918 1.00 0.00 C ATOM 327 O VAL A 24 0.785 8.467 -2.968 1.00 0.00 O ATOM 328 CB VAL A 24 1.097 5.478 -2.793 1.00 0.00 C ATOM 329 CG1 VAL A 24 0.983 6.108 -1.413 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.273 5.083 -3.322 1.00 0.00 C ATOM 0 H VAL A 24 3.266 6.768 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 24 1.891 5.955 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 24 1.701 4.575 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.487 5.413 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.979 6.336 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.401 7.027 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.752 4.402 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.888 5.975 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.162 4.588 -4.287 1.00 0.00 H new ATOM 340 N THR A 25 0.413 7.910 -5.117 1.00 0.00 N ATOM 341 CA THR A 25 -0.416 9.077 -5.390 1.00 0.00 C ATOM 342 C THR A 25 -1.891 8.700 -5.455 1.00 0.00 C ATOM 343 O THR A 25 -2.259 7.551 -5.212 1.00 0.00 O ATOM 344 CB THR A 25 -0.012 9.756 -6.712 1.00 0.00 C ATOM 345 OG1 THR A 25 0.431 8.771 -7.653 1.00 0.00 O ATOM 346 CG2 THR A 25 1.091 10.777 -6.482 1.00 0.00 C ATOM 0 H THR A 25 0.538 7.286 -5.914 1.00 0.00 H new ATOM 0 HA THR A 25 -0.259 9.776 -4.569 1.00 0.00 H new ATOM 0 HB THR A 25 -0.885 10.273 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.684 9.210 -8.492 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.359 11.243 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.740 11.541 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.965 10.280 -6.062 1.00 0.00 H new ATOM 354 N GLU A 26 -2.733 9.675 -5.784 1.00 0.00 N ATOM 355 CA GLU A 26 -4.169 9.444 -5.881 1.00 0.00 C ATOM 356 C GLU A 26 -4.495 8.528 -7.057 1.00 0.00 C ATOM 357 O GLU A 26 -5.436 7.736 -6.999 1.00 0.00 O ATOM 358 CB GLU A 26 -4.913 10.773 -6.034 1.00 0.00 C ATOM 359 CG GLU A 26 -4.214 11.942 -5.362 1.00 0.00 C ATOM 360 CD GLU A 26 -3.230 12.640 -6.281 1.00 0.00 C ATOM 361 OE1 GLU A 26 -3.547 12.800 -7.478 1.00 0.00 O ATOM 362 OE2 GLU A 26 -2.142 13.025 -5.803 1.00 0.00 O ATOM 0 H GLU A 26 -2.445 10.632 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.495 8.957 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.032 10.993 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.914 10.670 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.960 12.660 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.688 11.586 -4.476 1.00 0.00 H new ATOM 369 N VAL A 27 -3.710 8.641 -8.123 1.00 0.00 N ATOM 370 CA VAL A 27 -3.913 7.823 -9.313 1.00 0.00 C ATOM 371 C VAL A 27 -3.685 6.346 -9.010 1.00 0.00 C ATOM 372 O VAL A 27 -4.111 5.473 -9.766 1.00 0.00 O ATOM 373 CB VAL A 27 -2.975 8.252 -10.456 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.355 9.632 -10.970 1.00 0.00 C ATOM 375 CG2 VAL A 27 -1.526 8.228 -9.993 1.00 0.00 C ATOM 0 H VAL A 27 -2.927 9.291 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.946 7.971 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.083 7.543 -11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.681 9.918 -11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.379 9.612 -11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.278 10.356 -10.159 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.877 8.534 -10.813 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.400 8.914 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.261 7.219 -9.678 1.00 0.00 H new ATOM 385 N THR A 28 -3.011 6.073 -7.898 1.00 0.00 N ATOM 386 CA THR A 28 -2.725 4.702 -7.494 1.00 0.00 C ATOM 387 C THR A 28 -3.926 4.073 -6.797 1.00 0.00 C ATOM 388 O THR A 28 -4.562 4.697 -5.948 1.00 0.00 O ATOM 389 CB THR A 28 -1.507 4.636 -6.553 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.397 5.326 -7.139 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.120 3.192 -6.270 1.00 0.00 C ATOM 0 H THR A 28 -2.653 6.784 -7.260 1.00 0.00 H new ATOM 0 HA THR A 28 -2.503 4.144 -8.404 1.00 0.00 H new ATOM 0 HB THR A 28 -1.776 5.115 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.373 5.281 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.258 3.170 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.957 2.677 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.868 2.693 -7.206 1.00 0.00 H new ATOM 399 N THR A 29 -4.231 2.831 -7.161 1.00 0.00 N ATOM 400 CA THR A 29 -5.356 2.117 -6.571 1.00 0.00 C ATOM 401 C THR A 29 -4.937 1.379 -5.305 1.00 0.00 C ATOM 402 O THR A 29 -3.756 1.347 -4.956 1.00 0.00 O ATOM 403 CB THR A 29 -5.962 1.106 -7.563 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.991 0.110 -7.903 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.440 1.807 -8.826 1.00 0.00 C ATOM 0 H THR A 29 -3.714 2.299 -7.862 1.00 0.00 H new ATOM 0 HA THR A 29 -6.108 2.865 -6.320 1.00 0.00 H new ATOM 0 HB THR A 29 -6.818 0.630 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.385 -0.529 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.864 1.073 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.201 2.544 -8.568 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.598 2.307 -9.305 1.00 0.00 H new ATOM 413 N CYS A 30 -5.909 0.788 -4.620 1.00 0.00 N ATOM 414 CA CYS A 30 -5.640 0.050 -3.391 1.00 0.00 C ATOM 415 C CYS A 30 -4.774 -1.174 -3.671 1.00 0.00 C ATOM 416 O CYS A 30 -3.711 -1.343 -3.075 1.00 0.00 O ATOM 417 CB CYS A 30 -6.951 -0.378 -2.731 1.00 0.00 C ATOM 418 SG CYS A 30 -7.615 0.828 -1.559 1.00 0.00 S ATOM 0 H CYS A 30 -6.891 0.805 -4.895 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.098 0.708 -2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.694 -0.561 -3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.793 -1.324 -2.212 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.284 0.209 -0.632 1.00 0.00 H new ATOM 424 N GLN A 31 -5.238 -2.026 -4.579 1.00 0.00 N ATOM 425 CA GLN A 31 -4.507 -3.236 -4.935 1.00 0.00 C ATOM 426 C GLN A 31 -3.014 -2.953 -5.060 1.00 0.00 C ATOM 427 O GLN A 31 -2.197 -3.564 -4.372 1.00 0.00 O ATOM 428 CB GLN A 31 -5.040 -3.812 -6.248 1.00 0.00 C ATOM 429 CG GLN A 31 -4.850 -5.315 -6.375 1.00 0.00 C ATOM 430 CD GLN A 31 -5.173 -5.829 -7.764 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.330 -5.823 -8.187 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.151 -6.278 -8.482 1.00 0.00 N ATOM 0 H GLN A 31 -6.117 -1.901 -5.082 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.655 -3.966 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.102 -3.580 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.539 -3.319 -7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.819 -5.569 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.486 -5.820 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.209 -6.264 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.308 -6.637 -9.424 1.00 0.00 H new ATOM 441 N GLU A 32 -2.665 -2.023 -5.944 1.00 0.00 N ATOM 442 CA GLU A 32 -1.269 -1.660 -6.159 1.00 0.00 C ATOM 443 C GLU A 32 -0.536 -1.503 -4.829 1.00 0.00 C ATOM 444 O GLU A 32 0.378 -2.266 -4.517 1.00 0.00 O ATOM 445 CB GLU A 32 -1.174 -0.362 -6.963 1.00 0.00 C ATOM 446 CG GLU A 32 -1.321 -0.562 -8.462 1.00 0.00 C ATOM 447 CD GLU A 32 -0.191 -1.380 -9.055 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.924 -0.836 -9.200 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.421 -2.565 -9.374 1.00 0.00 O ATOM 0 H GLU A 32 -3.329 -1.508 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.794 -2.463 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.947 0.326 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.213 0.111 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.270 -1.058 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.357 0.411 -8.953 1.00 0.00 H new ATOM 456 N VAL A 33 -0.945 -0.507 -4.050 1.00 0.00 N ATOM 457 CA VAL A 33 -0.329 -0.248 -2.754 1.00 0.00 C ATOM 458 C VAL A 33 -0.005 -1.550 -2.030 1.00 0.00 C ATOM 459 O VAL A 33 1.128 -1.771 -1.603 1.00 0.00 O ATOM 460 CB VAL A 33 -1.242 0.611 -1.859 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.570 0.893 -0.524 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.611 1.907 -2.564 1.00 0.00 C ATOM 0 H VAL A 33 -1.700 0.134 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 33 0.595 0.297 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.159 0.055 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.230 1.501 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.362 -0.048 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.364 1.429 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.256 2.502 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.705 2.470 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.137 1.680 -3.491 1.00 0.00 H new ATOM 472 N VAL A 34 -1.010 -2.411 -1.894 1.00 0.00 N ATOM 473 CA VAL A 34 -0.832 -3.693 -1.223 1.00 0.00 C ATOM 474 C VAL A 34 0.363 -4.450 -1.791 1.00 0.00 C ATOM 475 O VAL A 34 1.170 -5.005 -1.045 1.00 0.00 O ATOM 476 CB VAL A 34 -2.091 -4.572 -1.350 1.00 0.00 C ATOM 477 CG1 VAL A 34 -1.878 -5.912 -0.663 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.302 -3.854 -0.773 1.00 0.00 C ATOM 0 H VAL A 34 -1.955 -2.243 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.653 -3.477 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.278 -4.759 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.778 -6.519 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.038 -6.429 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.666 -5.749 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.182 -4.489 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.128 -3.636 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.465 -2.922 -1.315 1.00 0.00 H new ATOM 488 N ILE A 35 0.469 -4.469 -3.115 1.00 0.00 N ATOM 489 CA ILE A 35 1.566 -5.157 -3.783 1.00 0.00 C ATOM 490 C ILE A 35 2.898 -4.855 -3.105 1.00 0.00 C ATOM 491 O ILE A 35 3.619 -5.765 -2.696 1.00 0.00 O ATOM 492 CB ILE A 35 1.658 -4.761 -5.269 1.00 0.00 C ATOM 493 CG1 ILE A 35 0.309 -4.971 -5.959 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.746 -5.564 -5.965 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.233 -6.376 -5.813 1.00 0.00 C ATOM 0 H ILE A 35 -0.192 -4.016 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 35 1.358 -6.225 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 35 1.917 -3.704 -5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.414 -4.267 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.412 -4.739 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.799 -5.273 -7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.705 -5.369 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.515 -6.627 -5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.191 -6.451 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.470 -7.085 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.369 -6.606 -4.756 1.00 0.00 H new ATOM 507 N ALA A 36 3.219 -3.571 -2.988 1.00 0.00 N ATOM 508 CA ALA A 36 4.462 -3.148 -2.355 1.00 0.00 C ATOM 509 C ALA A 36 4.690 -3.889 -1.042 1.00 0.00 C ATOM 510 O ALA A 36 5.655 -4.640 -0.900 1.00 0.00 O ATOM 511 CB ALA A 36 4.451 -1.645 -2.121 1.00 0.00 C ATOM 0 H ALA A 36 2.635 -2.805 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 36 5.284 -3.393 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.385 -1.344 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.345 -1.129 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.615 -1.384 -1.472 1.00 0.00 H new ATOM 517 N LEU A 37 3.795 -3.673 -0.084 1.00 0.00 N ATOM 518 CA LEU A 37 3.898 -4.319 1.220 1.00 0.00 C ATOM 519 C LEU A 37 4.023 -5.832 1.068 1.00 0.00 C ATOM 520 O LEU A 37 4.831 -6.469 1.744 1.00 0.00 O ATOM 521 CB LEU A 37 2.678 -3.980 2.077 1.00 0.00 C ATOM 522 CG LEU A 37 2.445 -2.495 2.355 1.00 0.00 C ATOM 523 CD1 LEU A 37 0.976 -2.231 2.650 1.00 0.00 C ATOM 524 CD2 LEU A 37 3.316 -2.025 3.511 1.00 0.00 C ATOM 0 H LEU A 37 2.990 -3.055 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 37 4.795 -3.946 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.791 -4.381 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.775 -4.497 3.032 1.00 0.00 H new ATOM 0 HG LEU A 37 2.723 -1.931 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.829 -1.169 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.373 -2.529 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.671 -2.806 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.137 -0.966 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.070 -2.595 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.366 -2.177 3.261 1.00 0.00 H new ATOM 536 N ALA A 38 3.219 -6.401 0.176 1.00 0.00 N ATOM 537 CA ALA A 38 3.243 -7.838 -0.067 1.00 0.00 C ATOM 538 C ALA A 38 4.643 -8.307 -0.449 1.00 0.00 C ATOM 539 O ALA A 38 5.033 -9.434 -0.144 1.00 0.00 O ATOM 540 CB ALA A 38 2.246 -8.205 -1.156 1.00 0.00 C ATOM 0 H ALA A 38 2.543 -5.889 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 38 2.959 -8.343 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.274 -9.281 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.243 -7.913 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.505 -7.684 -2.077 1.00 0.00 H new ATOM 546 N GLN A 39 5.392 -7.437 -1.117 1.00 0.00 N ATOM 547 CA GLN A 39 6.748 -7.764 -1.541 1.00 0.00 C ATOM 548 C GLN A 39 7.752 -7.470 -0.431 1.00 0.00 C ATOM 549 O GLN A 39 8.832 -8.057 -0.386 1.00 0.00 O ATOM 550 CB GLN A 39 7.116 -6.976 -2.799 1.00 0.00 C ATOM 551 CG GLN A 39 6.750 -7.687 -4.092 1.00 0.00 C ATOM 552 CD GLN A 39 7.800 -8.693 -4.522 1.00 0.00 C ATOM 553 OE1 GLN A 39 8.135 -9.615 -3.778 1.00 0.00 O ATOM 554 NE2 GLN A 39 8.325 -8.521 -5.729 1.00 0.00 N ATOM 0 H GLN A 39 5.083 -6.500 -1.376 1.00 0.00 H new ATOM 0 HA GLN A 39 6.784 -8.830 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.614 -6.009 -2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.188 -6.779 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.795 -8.196 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.614 -6.949 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.018 -7.743 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.036 -9.167 -6.073 1.00 0.00 H new ATOM 563 N ALA A 40 7.386 -6.557 0.463 1.00 0.00 N ATOM 564 CA ALA A 40 8.254 -6.186 1.574 1.00 0.00 C ATOM 565 C ALA A 40 8.107 -7.163 2.735 1.00 0.00 C ATOM 566 O ALA A 40 8.941 -7.196 3.640 1.00 0.00 O ATOM 567 CB ALA A 40 7.947 -4.768 2.033 1.00 0.00 C ATOM 0 H ALA A 40 6.495 -6.061 0.440 1.00 0.00 H new ATOM 0 HA ALA A 40 9.286 -6.228 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.602 -4.504 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.110 -4.075 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.908 -4.708 2.358 1.00 0.00 H new ATOM 573 N ILE A 41 7.041 -7.956 2.704 1.00 0.00 N ATOM 574 CA ILE A 41 6.786 -8.934 3.754 1.00 0.00 C ATOM 575 C ILE A 41 7.348 -10.302 3.380 1.00 0.00 C ATOM 576 O ILE A 41 7.751 -11.076 4.246 1.00 0.00 O ATOM 577 CB ILE A 41 5.279 -9.072 4.041 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.542 -9.560 2.792 1.00 0.00 C ATOM 579 CG2 ILE A 41 4.707 -7.744 4.515 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.152 -10.083 3.077 1.00 0.00 C ATOM 0 H ILE A 41 6.340 -7.940 1.963 1.00 0.00 H new ATOM 0 HA ILE A 41 7.287 -8.571 4.651 1.00 0.00 H new ATOM 0 HB ILE A 41 5.141 -9.809 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.474 -8.740 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.128 -10.348 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.641 -7.857 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.216 -7.434 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.854 -6.988 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.689 -10.411 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.214 -10.924 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.550 -9.291 3.522 1.00 0.00 H new ATOM 592 N GLY A 42 7.372 -10.591 2.083 1.00 0.00 N ATOM 593 CA GLY A 42 7.888 -11.865 1.616 1.00 0.00 C ATOM 594 C GLY A 42 6.835 -12.691 0.904 1.00 0.00 C ATOM 595 O GLY A 42 5.674 -12.714 1.312 1.00 0.00 O ATOM 0 H GLY A 42 7.043 -9.966 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.725 -11.689 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.276 -12.429 2.464 1.00 0.00 H new ATOM 599 N ARG A 43 7.241 -13.369 -0.165 1.00 0.00 N ATOM 600 CA ARG A 43 6.324 -14.198 -0.937 1.00 0.00 C ATOM 601 C ARG A 43 5.016 -13.458 -1.203 1.00 0.00 C ATOM 602 O ARG A 43 3.934 -13.954 -0.889 1.00 0.00 O ATOM 603 CB ARG A 43 6.040 -15.507 -0.199 1.00 0.00 C ATOM 604 CG ARG A 43 5.521 -15.309 1.216 1.00 0.00 C ATOM 605 CD ARG A 43 5.150 -16.633 1.864 1.00 0.00 C ATOM 606 NE ARG A 43 6.278 -17.231 2.574 1.00 0.00 N ATOM 607 CZ ARG A 43 6.191 -18.354 3.278 1.00 0.00 C ATOM 608 NH1 ARG A 43 5.036 -18.998 3.365 1.00 0.00 N ATOM 609 NH2 ARG A 43 7.262 -18.835 3.895 1.00 0.00 N ATOM 0 H ARG A 43 8.199 -13.360 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 43 6.796 -14.424 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.310 -16.083 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.954 -16.099 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.281 -14.809 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.649 -14.655 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.325 -16.477 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.796 -17.324 1.099 1.00 0.00 H new ATOM 0 HE ARG A 43 7.182 -16.760 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.211 -18.632 2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.972 -19.860 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.153 -18.343 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.195 -19.697 4.436 1.00 0.00 H new ATOM 623 N THR A 44 5.123 -12.267 -1.785 1.00 0.00 N ATOM 624 CA THR A 44 3.950 -11.458 -2.091 1.00 0.00 C ATOM 625 C THR A 44 2.763 -12.334 -2.474 1.00 0.00 C ATOM 626 O THR A 44 2.931 -13.407 -3.052 1.00 0.00 O ATOM 627 CB THR A 44 4.234 -10.469 -3.237 1.00 0.00 C ATOM 628 OG1 THR A 44 3.011 -10.113 -3.891 1.00 0.00 O ATOM 629 CG2 THR A 44 5.198 -11.073 -4.247 1.00 0.00 C ATOM 0 H THR A 44 6.010 -11.842 -2.054 1.00 0.00 H new ATOM 0 HA THR A 44 3.708 -10.897 -1.188 1.00 0.00 H new ATOM 0 HB THR A 44 4.691 -9.576 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.200 -9.483 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.383 -10.356 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.138 -11.316 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.764 -11.981 -4.667 1.00 0.00 H new ATOM 637 N GLY A 45 1.560 -11.869 -2.149 1.00 0.00 N ATOM 638 CA GLY A 45 0.362 -12.623 -2.467 1.00 0.00 C ATOM 639 C GLY A 45 -0.834 -11.729 -2.726 1.00 0.00 C ATOM 640 O GLY A 45 -0.971 -11.163 -3.811 1.00 0.00 O ATOM 0 H GLY A 45 1.394 -10.983 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.548 -13.240 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.134 -13.301 -1.644 1.00 0.00 H new ATOM 644 N ARG A 46 -1.703 -11.602 -1.729 1.00 0.00 N ATOM 645 CA ARG A 46 -2.896 -10.773 -1.855 1.00 0.00 C ATOM 646 C ARG A 46 -3.459 -10.418 -0.482 1.00 0.00 C ATOM 647 O ARG A 46 -3.844 -11.298 0.289 1.00 0.00 O ATOM 648 CB ARG A 46 -3.960 -11.495 -2.683 1.00 0.00 C ATOM 649 CG ARG A 46 -5.249 -10.705 -2.840 1.00 0.00 C ATOM 650 CD ARG A 46 -5.122 -9.640 -3.917 1.00 0.00 C ATOM 651 NE ARG A 46 -5.372 -10.178 -5.252 1.00 0.00 N ATOM 652 CZ ARG A 46 -6.586 -10.434 -5.726 1.00 0.00 C ATOM 653 NH1 ARG A 46 -7.656 -10.201 -4.978 1.00 0.00 N ATOM 654 NH2 ARG A 46 -6.732 -10.923 -6.950 1.00 0.00 N ATOM 0 H ARG A 46 -1.603 -12.063 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.614 -9.851 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.554 -11.712 -3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.186 -12.453 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.064 -11.383 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.507 -10.235 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.826 -8.833 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.122 -9.207 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.570 -10.367 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.548 -9.824 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.587 -10.398 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.911 -11.103 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.665 -11.119 -7.313 1.00 0.00 H new ATOM 668 N TYR A 47 -3.503 -9.124 -0.183 1.00 0.00 N ATOM 669 CA TYR A 47 -4.016 -8.653 1.098 1.00 0.00 C ATOM 670 C TYR A 47 -5.065 -7.564 0.897 1.00 0.00 C ATOM 671 O TYR A 47 -5.094 -6.895 -0.137 1.00 0.00 O ATOM 672 CB TYR A 47 -2.873 -8.122 1.965 1.00 0.00 C ATOM 673 CG TYR A 47 -1.948 -9.204 2.476 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.189 -9.968 1.599 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.832 -9.460 3.837 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.343 -10.958 2.061 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.988 -10.446 4.309 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.246 -11.193 3.417 1.00 0.00 C ATOM 679 OH TYR A 47 0.596 -12.177 3.882 1.00 0.00 O ATOM 0 H TYR A 47 -3.190 -8.383 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.486 -9.496 1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.293 -7.403 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.293 -7.583 2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.261 -9.785 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.412 -8.878 4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.239 -11.544 1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.909 -10.631 5.370 1.00 0.00 H new ATOM 0 HH TYR A 47 0.548 -12.213 4.860 1.00 0.00 H new ATOM 689 N THR A 48 -5.927 -7.390 1.895 1.00 0.00 N ATOM 690 CA THR A 48 -6.978 -6.383 1.830 1.00 0.00 C ATOM 691 C THR A 48 -6.667 -5.203 2.743 1.00 0.00 C ATOM 692 O THR A 48 -6.011 -5.359 3.774 1.00 0.00 O ATOM 693 CB THR A 48 -8.346 -6.974 2.221 1.00 0.00 C ATOM 694 OG1 THR A 48 -8.837 -7.812 1.169 1.00 0.00 O ATOM 695 CG2 THR A 48 -9.351 -5.868 2.506 1.00 0.00 C ATOM 0 H THR A 48 -5.917 -7.934 2.758 1.00 0.00 H new ATOM 0 HA THR A 48 -7.021 -6.037 0.797 1.00 0.00 H new ATOM 0 HB THR A 48 -8.215 -7.567 3.126 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.706 -8.185 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.309 -6.309 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.988 -5.249 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.476 -5.252 1.616 1.00 0.00 H new ATOM 703 N LEU A 49 -7.142 -4.023 2.359 1.00 0.00 N ATOM 704 CA LEU A 49 -6.915 -2.815 3.145 1.00 0.00 C ATOM 705 C LEU A 49 -8.129 -2.492 4.010 1.00 0.00 C ATOM 706 O LEU A 49 -9.257 -2.441 3.519 1.00 0.00 O ATOM 707 CB LEU A 49 -6.602 -1.635 2.223 1.00 0.00 C ATOM 708 CG LEU A 49 -5.215 -1.634 1.581 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.161 -0.644 0.428 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.148 -1.309 2.616 1.00 0.00 C ATOM 0 H LEU A 49 -7.686 -3.877 1.509 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.062 -2.992 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.348 -1.613 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.717 -0.714 2.794 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.018 -2.631 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.166 -0.657 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.899 -0.922 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.380 0.358 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.167 -1.313 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.341 -0.324 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.170 -2.057 3.409 1.00 0.00 H new ATOM 722 N ILE A 50 -7.889 -2.272 5.298 1.00 0.00 N ATOM 723 CA ILE A 50 -8.962 -1.950 6.230 1.00 0.00 C ATOM 724 C ILE A 50 -8.607 -0.734 7.080 1.00 0.00 C ATOM 725 O ILE A 50 -7.522 -0.664 7.656 1.00 0.00 O ATOM 726 CB ILE A 50 -9.276 -3.137 7.160 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.701 -4.357 6.339 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.361 -2.758 8.156 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.536 -5.668 7.075 1.00 0.00 C ATOM 0 H ILE A 50 -6.961 -2.311 5.720 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.844 -1.726 5.629 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.374 -3.392 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.745 -4.243 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.115 -4.389 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.571 -3.608 8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.023 -1.915 8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.267 -2.479 7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.856 -6.489 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.489 -5.805 7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.144 -5.656 7.980 1.00 0.00 H new ATOM 741 N GLU A 51 -9.530 0.220 7.154 1.00 0.00 N ATOM 742 CA GLU A 51 -9.313 1.432 7.934 1.00 0.00 C ATOM 743 C GLU A 51 -10.018 1.343 9.285 1.00 0.00 C ATOM 744 O GLU A 51 -11.241 1.215 9.353 1.00 0.00 O ATOM 745 CB GLU A 51 -9.814 2.657 7.165 1.00 0.00 C ATOM 746 CG GLU A 51 -8.982 2.986 5.937 1.00 0.00 C ATOM 747 CD GLU A 51 -9.675 3.963 5.008 1.00 0.00 C ATOM 748 OE1 GLU A 51 -9.583 5.184 5.253 1.00 0.00 O ATOM 749 OE2 GLU A 51 -10.310 3.506 4.034 1.00 0.00 O ATOM 0 H GLU A 51 -10.434 0.177 6.684 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.242 1.534 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.846 2.487 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.817 3.518 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.026 3.405 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.763 2.067 5.394 1.00 0.00 H new ATOM 756 N LYS A 52 -9.238 1.412 10.358 1.00 0.00 N ATOM 757 CA LYS A 52 -9.785 1.340 11.708 1.00 0.00 C ATOM 758 C LYS A 52 -9.852 2.725 12.342 1.00 0.00 C ATOM 759 O LYS A 52 -8.864 3.459 12.358 1.00 0.00 O ATOM 760 CB LYS A 52 -8.934 0.410 12.576 1.00 0.00 C ATOM 761 CG LYS A 52 -9.377 0.360 14.028 1.00 0.00 C ATOM 762 CD LYS A 52 -8.436 -0.488 14.869 1.00 0.00 C ATOM 763 CE LYS A 52 -9.156 -1.106 16.058 1.00 0.00 C ATOM 764 NZ LYS A 52 -8.216 -1.827 16.961 1.00 0.00 N ATOM 0 H LYS A 52 -8.224 1.518 10.319 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.797 0.941 11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.970 -0.596 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.895 0.736 12.533 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.416 1.371 14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.386 -0.047 14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.006 -1.277 14.252 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.608 0.127 15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.670 -0.325 16.618 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.919 -1.797 15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.745 -2.234 17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.744 -2.589 16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.502 -1.162 17.322 1.00 0.00 H new ATOM 778 N TRP A 53 -11.021 3.075 12.865 1.00 0.00 N ATOM 779 CA TRP A 53 -11.216 4.373 13.502 1.00 0.00 C ATOM 780 C TRP A 53 -12.393 4.333 14.470 1.00 0.00 C ATOM 781 O TRP A 53 -13.428 3.733 14.179 1.00 0.00 O ATOM 782 CB TRP A 53 -11.446 5.454 12.445 1.00 0.00 C ATOM 783 CG TRP A 53 -11.853 6.775 13.024 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.030 7.813 13.356 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.183 7.198 13.342 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.768 8.855 13.861 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.092 8.504 13.862 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.443 6.601 13.236 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.212 9.220 14.275 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.553 7.313 13.647 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.433 8.612 14.161 1.00 0.00 C ATOM 0 H TRP A 53 -11.849 2.479 12.861 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.314 4.612 14.065 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.532 5.586 11.866 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.217 5.116 11.752 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.956 7.814 13.239 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.391 9.746 14.183 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.546 5.602 12.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.121 10.220 14.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.531 6.861 13.571 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.320 9.143 14.473 1.00 0.00 H new ATOM 802 N ARG A 54 -12.228 4.974 15.622 1.00 0.00 N ATOM 803 CA ARG A 54 -13.278 5.011 16.633 1.00 0.00 C ATOM 804 C ARG A 54 -14.066 3.704 16.647 1.00 0.00 C ATOM 805 O ARG A 54 -15.292 3.707 16.759 1.00 0.00 O ATOM 806 CB ARG A 54 -14.223 6.185 16.376 1.00 0.00 C ATOM 807 CG ARG A 54 -14.847 6.753 17.641 1.00 0.00 C ATOM 808 CD ARG A 54 -16.195 7.396 17.356 1.00 0.00 C ATOM 809 NE ARG A 54 -17.270 6.408 17.292 1.00 0.00 N ATOM 810 CZ ARG A 54 -18.465 6.656 16.770 1.00 0.00 C ATOM 811 NH1 ARG A 54 -18.738 7.853 16.268 1.00 0.00 N ATOM 812 NH2 ARG A 54 -19.391 5.706 16.747 1.00 0.00 N ATOM 0 H ARG A 54 -11.377 5.475 15.879 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.805 5.141 17.606 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.675 6.976 15.864 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.017 5.861 15.703 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.970 5.958 18.376 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.176 7.491 18.079 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.420 8.127 18.133 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.145 7.939 16.412 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.092 5.477 17.669 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.029 8.586 16.282 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.657 8.041 15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.185 4.784 17.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.309 5.898 16.346 1.00 0.00 H new ATOM 826 N ASP A 55 -13.353 2.588 16.531 1.00 0.00 N ATOM 827 CA ASP A 55 -13.985 1.274 16.530 1.00 0.00 C ATOM 828 C ASP A 55 -14.855 1.090 15.290 1.00 0.00 C ATOM 829 O ASP A 55 -16.017 0.692 15.386 1.00 0.00 O ATOM 830 CB ASP A 55 -14.828 1.089 17.792 1.00 0.00 C ATOM 831 CG ASP A 55 -15.204 -0.360 18.030 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.540 -1.248 17.454 1.00 0.00 O ATOM 833 OD2 ASP A 55 -16.160 -0.607 18.794 1.00 0.00 O ATOM 0 H ASP A 55 -12.338 2.568 16.437 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.198 0.520 16.515 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.275 1.464 18.653 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.735 1.688 17.711 1.00 0.00 H new ATOM 838 N THR A 56 -14.286 1.384 14.125 1.00 0.00 N ATOM 839 CA THR A 56 -15.010 1.254 12.867 1.00 0.00 C ATOM 840 C THR A 56 -14.146 0.589 11.802 1.00 0.00 C ATOM 841 O THR A 56 -13.199 1.189 11.294 1.00 0.00 O ATOM 842 CB THR A 56 -15.483 2.624 12.346 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.235 3.301 13.359 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.336 2.463 11.097 1.00 0.00 C ATOM 0 H THR A 56 -13.326 1.714 14.027 1.00 0.00 H new ATOM 0 HA THR A 56 -15.881 0.630 13.067 1.00 0.00 H new ATOM 0 HB THR A 56 -14.603 3.215 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.621 3.698 14.012 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.658 3.444 10.748 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.751 1.974 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.211 1.855 11.329 1.00 0.00 H new ATOM 852 N GLU A 57 -14.478 -0.655 11.468 1.00 0.00 N ATOM 853 CA GLU A 57 -13.730 -1.400 10.462 1.00 0.00 C ATOM 854 C GLU A 57 -14.481 -1.426 9.134 1.00 0.00 C ATOM 855 O GLU A 57 -15.640 -1.838 9.072 1.00 0.00 O ATOM 856 CB GLU A 57 -13.472 -2.830 10.943 1.00 0.00 C ATOM 857 CG GLU A 57 -12.289 -2.950 11.888 1.00 0.00 C ATOM 858 CD GLU A 57 -12.263 -4.276 12.624 1.00 0.00 C ATOM 859 OE1 GLU A 57 -13.307 -4.663 13.188 1.00 0.00 O ATOM 860 OE2 GLU A 57 -11.197 -4.926 12.636 1.00 0.00 O ATOM 0 H GLU A 57 -15.259 -1.167 11.879 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.775 -0.897 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.366 -3.203 11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.301 -3.470 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.364 -2.834 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.324 -2.137 12.613 1.00 0.00 H new ATOM 867 N ARG A 58 -13.813 -0.982 8.075 1.00 0.00 N ATOM 868 CA ARG A 58 -14.417 -0.952 6.748 1.00 0.00 C ATOM 869 C ARG A 58 -13.484 -1.571 5.712 1.00 0.00 C ATOM 870 O ARG A 58 -12.285 -1.291 5.694 1.00 0.00 O ATOM 871 CB ARG A 58 -14.756 0.486 6.351 1.00 0.00 C ATOM 872 CG ARG A 58 -15.715 0.583 5.176 1.00 0.00 C ATOM 873 CD ARG A 58 -14.971 0.617 3.850 1.00 0.00 C ATOM 874 NE ARG A 58 -15.872 0.451 2.713 1.00 0.00 N ATOM 875 CZ ARG A 58 -16.574 1.444 2.180 1.00 0.00 C ATOM 876 NH1 ARG A 58 -16.480 2.669 2.678 1.00 0.00 N ATOM 877 NH2 ARG A 58 -17.372 1.214 1.145 1.00 0.00 N ATOM 0 H ARG A 58 -12.853 -0.638 8.110 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.335 -1.538 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.193 0.997 7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.835 1.012 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.396 -0.268 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.324 1.481 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.440 1.564 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.220 -0.173 3.835 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.967 -0.479 2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.867 2.851 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.021 3.430 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.447 0.273 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.911 1.978 0.737 1.00 0.00 H new ATOM 891 N HIS A 59 -14.042 -2.415 4.849 1.00 0.00 N ATOM 892 CA HIS A 59 -13.259 -3.073 3.809 1.00 0.00 C ATOM 893 C HIS A 59 -13.207 -2.220 2.545 1.00 0.00 C ATOM 894 O HIS A 59 -14.231 -1.714 2.083 1.00 0.00 O ATOM 895 CB HIS A 59 -13.852 -4.446 3.488 1.00 0.00 C ATOM 896 CG HIS A 59 -13.375 -5.532 4.402 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.629 -6.607 3.968 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.542 -5.705 5.734 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.358 -7.395 4.993 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.901 -6.870 6.077 1.00 0.00 N ATOM 0 H HIS A 59 -15.032 -2.659 4.850 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.242 -3.202 4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.939 -4.386 3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.601 -4.710 2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.079 -5.049 6.403 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.789 -8.312 4.952 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.852 -7.266 7.016 1.00 0.00 H new ATOM 909 N LEU A 60 -12.010 -2.063 1.992 1.00 0.00 N ATOM 910 CA LEU A 60 -11.824 -1.270 0.781 1.00 0.00 C ATOM 911 C LEU A 60 -11.743 -2.167 -0.450 1.00 0.00 C ATOM 912 O LEU A 60 -11.218 -3.278 -0.387 1.00 0.00 O ATOM 913 CB LEU A 60 -10.557 -0.422 0.894 1.00 0.00 C ATOM 914 CG LEU A 60 -10.535 0.607 2.025 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.106 1.008 2.355 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.361 1.829 1.650 1.00 0.00 C ATOM 0 H LEU A 60 -11.153 -2.474 2.362 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.685 -0.611 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.706 -1.091 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.410 0.103 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.977 0.153 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.111 1.741 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.544 0.128 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.637 1.443 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.334 2.551 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.949 2.284 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.392 1.528 1.465 1.00 0.00 H new ATOM 928 N ALA A 61 -12.263 -1.675 -1.569 1.00 0.00 N ATOM 929 CA ALA A 61 -12.245 -2.430 -2.816 1.00 0.00 C ATOM 930 C ALA A 61 -10.879 -2.347 -3.488 1.00 0.00 C ATOM 931 O ALA A 61 -10.179 -1.338 -3.404 1.00 0.00 O ATOM 932 CB ALA A 61 -13.330 -1.923 -3.756 1.00 0.00 C ATOM 0 H ALA A 61 -12.702 -0.757 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.443 -3.476 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.305 -2.496 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.305 -2.040 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.158 -0.869 -3.976 1.00 0.00 H new ATOM 938 N PRO A 62 -10.488 -3.433 -4.172 1.00 0.00 N ATOM 939 CA PRO A 62 -9.202 -3.508 -4.871 1.00 0.00 C ATOM 940 C PRO A 62 -9.155 -2.600 -6.096 1.00 0.00 C ATOM 941 O PRO A 62 -8.097 -2.401 -6.693 1.00 0.00 O ATOM 942 CB PRO A 62 -9.112 -4.977 -5.292 1.00 0.00 C ATOM 943 CG PRO A 62 -10.527 -5.435 -5.374 1.00 0.00 C ATOM 944 CD PRO A 62 -11.272 -4.672 -4.314 1.00 0.00 C ATOM 0 HA PRO A 62 -8.376 -3.179 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.605 -5.084 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.548 -5.563 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.944 -5.239 -6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.600 -6.509 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.299 -4.465 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.319 -5.227 -3.377 1.00 0.00 H new ATOM 952 N HIS A 63 -10.308 -2.051 -6.464 1.00 0.00 N ATOM 953 CA HIS A 63 -10.398 -1.162 -7.618 1.00 0.00 C ATOM 954 C HIS A 63 -10.490 0.295 -7.175 1.00 0.00 C ATOM 955 O HIS A 63 -10.220 1.208 -7.955 1.00 0.00 O ATOM 956 CB HIS A 63 -11.611 -1.525 -8.474 1.00 0.00 C ATOM 957 CG HIS A 63 -12.825 -1.883 -7.673 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.206 -3.185 -7.426 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.743 -1.101 -7.060 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.308 -3.188 -6.697 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.654 -1.935 -6.461 1.00 0.00 N ATOM 0 H HIS A 63 -11.193 -2.206 -5.981 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.493 -1.286 -8.213 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.851 -0.684 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.352 -2.364 -9.120 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.757 -0.021 -7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -14.836 -4.065 -6.353 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.466 -1.636 -5.921 1.00 0.00 H new ATOM 970 N GLU A 64 -10.873 0.504 -5.919 1.00 0.00 N ATOM 971 CA GLU A 64 -11.002 1.851 -5.375 1.00 0.00 C ATOM 972 C GLU A 64 -9.636 2.417 -4.994 1.00 0.00 C ATOM 973 O GLU A 64 -8.607 1.775 -5.202 1.00 0.00 O ATOM 974 CB GLU A 64 -11.922 1.845 -4.153 1.00 0.00 C ATOM 975 CG GLU A 64 -13.358 1.465 -4.474 1.00 0.00 C ATOM 976 CD GLU A 64 -14.078 2.532 -5.276 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.729 2.722 -6.459 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.991 3.177 -4.719 1.00 0.00 O ATOM 0 H GLU A 64 -11.099 -0.241 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.438 2.487 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.527 1.147 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.910 2.834 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.366 0.529 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.899 1.287 -3.545 1.00 0.00 H new ATOM 985 N ASN A 65 -9.637 3.623 -4.436 1.00 0.00 N ATOM 986 CA ASN A 65 -8.399 4.277 -4.028 1.00 0.00 C ATOM 987 C ASN A 65 -8.413 4.581 -2.533 1.00 0.00 C ATOM 988 O ASN A 65 -9.445 4.917 -1.952 1.00 0.00 O ATOM 989 CB ASN A 65 -8.194 5.569 -4.821 1.00 0.00 C ATOM 990 CG ASN A 65 -8.114 5.323 -6.315 1.00 0.00 C ATOM 991 OD1 ASN A 65 -7.137 4.764 -6.812 1.00 0.00 O ATOM 992 ND2 ASN A 65 -9.146 5.742 -7.040 1.00 0.00 N ATOM 0 H ASN A 65 -10.481 4.167 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.572 3.597 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.015 6.255 -4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.278 6.056 -4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.149 5.605 -8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.936 6.201 -6.586 1.00 0.00 H new ATOM 999 N PRO A 66 -7.240 4.462 -1.894 1.00 0.00 N ATOM 1000 CA PRO A 66 -7.090 4.722 -0.459 1.00 0.00 C ATOM 1001 C PRO A 66 -7.237 6.201 -0.119 1.00 0.00 C ATOM 1002 O PRO A 66 -7.904 6.561 0.852 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.667 4.242 -0.159 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.947 4.355 -1.458 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.969 4.066 -2.523 1.00 0.00 C ATOM 0 HA PRO A 66 -7.857 4.219 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.196 4.855 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.664 3.215 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.523 5.351 -1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.119 3.647 -1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.775 4.637 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.970 3.013 -2.803 1.00 0.00 H new ATOM 1013 N ILE A 67 -6.610 7.053 -0.923 1.00 0.00 N ATOM 1014 CA ILE A 67 -6.673 8.493 -0.707 1.00 0.00 C ATOM 1015 C ILE A 67 -8.078 9.027 -0.967 1.00 0.00 C ATOM 1016 O ILE A 67 -8.659 9.709 -0.122 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.676 9.242 -1.611 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -4.249 8.760 -1.343 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -5.784 10.743 -1.389 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -3.205 9.465 -2.180 1.00 0.00 C ATOM 0 H ILE A 67 -6.053 6.771 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.408 8.668 0.336 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.922 9.030 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.017 8.907 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.194 7.689 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.073 11.258 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.795 11.074 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.561 10.974 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.218 9.072 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.412 9.297 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.232 10.534 -1.970 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.618 8.711 -2.139 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.956 9.156 -2.508 1.00 0.00 C ATOM 1034 C ILE A 68 -10.987 8.710 -1.478 1.00 0.00 C ATOM 1035 O ILE A 68 -12.024 9.351 -1.304 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.365 8.621 -3.893 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.289 8.952 -4.930 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.707 9.202 -4.310 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -9.020 10.434 -5.068 1.00 0.00 C ATOM 0 H ILE A 68 -8.150 8.149 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.928 10.245 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.464 7.537 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.363 8.447 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.594 8.554 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.982 8.814 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.468 8.920 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.634 10.289 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.247 10.595 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.934 10.943 -5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.684 10.834 -4.111 1.00 0.00 H new ATOM 1051 N SER A 69 -10.696 7.607 -0.796 1.00 0.00 N ATOM 1052 CA SER A 69 -11.599 7.073 0.217 1.00 0.00 C ATOM 1053 C SER A 69 -11.369 7.752 1.563 1.00 0.00 C ATOM 1054 O SER A 69 -12.254 8.428 2.091 1.00 0.00 O ATOM 1055 CB SER A 69 -11.408 5.562 0.356 1.00 0.00 C ATOM 1056 OG SER A 69 -12.398 4.997 1.198 1.00 0.00 O ATOM 0 H SER A 69 -9.842 7.065 -0.927 1.00 0.00 H new ATOM 0 HA SER A 69 -12.622 7.275 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.453 5.095 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.418 5.353 0.763 1.00 0.00 H new ATOM 0 HG SER A 69 -12.693 4.139 0.827 1.00 0.00 H new ATOM 1062 N LEU A 70 -10.174 7.569 2.114 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.825 8.164 3.400 1.00 0.00 C ATOM 1064 C LEU A 70 -10.059 9.671 3.384 1.00 0.00 C ATOM 1065 O LEU A 70 -10.390 10.268 4.408 1.00 0.00 O ATOM 1066 CB LEU A 70 -8.364 7.867 3.742 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.999 7.912 5.226 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -6.665 7.223 5.469 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.957 9.350 5.721 1.00 0.00 C ATOM 0 H LEU A 70 -9.431 7.014 1.691 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.467 7.723 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.116 6.878 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.735 8.582 3.212 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.767 7.378 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.422 7.265 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.730 6.182 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.886 7.728 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.696 9.363 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.210 9.908 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.935 9.811 5.583 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.887 10.279 2.215 1.00 0.00 N ATOM 1082 CA ASN A 71 -10.082 11.717 2.066 1.00 0.00 C ATOM 1083 C ASN A 71 -11.403 12.155 2.690 1.00 0.00 C ATOM 1084 O ASN A 71 -11.493 13.223 3.295 1.00 0.00 O ATOM 1085 CB ASN A 71 -10.050 12.105 0.586 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.646 12.407 0.098 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.678 12.296 0.850 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -8.531 12.791 -1.168 1.00 0.00 N ATOM 0 H ASN A 71 -9.613 9.799 1.358 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.270 12.225 2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.472 11.295 -0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.682 12.979 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.612 13.008 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.362 12.869 -1.755 1.00 0.00 H new ATOM 1095 N LYS A 72 -12.427 11.321 2.540 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.744 11.620 3.090 1.00 0.00 C ATOM 1097 C LYS A 72 -13.627 12.209 4.493 1.00 0.00 C ATOM 1098 O LYS A 72 -14.335 13.154 4.840 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.603 10.354 3.127 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.045 9.266 4.029 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.456 7.883 3.553 1.00 0.00 C ATOM 1102 CE LYS A 72 -13.603 6.798 4.192 1.00 0.00 C ATOM 1103 NZ LYS A 72 -14.070 6.461 5.565 1.00 0.00 N ATOM 0 H LYS A 72 -12.370 10.433 2.042 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.221 12.357 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.606 10.615 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.700 9.961 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.957 9.335 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.398 9.421 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.505 7.711 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.364 7.828 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.628 5.903 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.565 7.129 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.766 5.496 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.662 7.134 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.108 6.517 5.602 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.729 11.645 5.293 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.519 12.116 6.657 1.00 0.00 C ATOM 1119 C TRP A 73 -12.042 13.564 6.666 1.00 0.00 C ATOM 1120 O TRP A 73 -12.635 14.419 7.322 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.502 11.227 7.375 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.983 9.823 7.581 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.498 8.694 6.984 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.044 9.398 8.444 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.194 7.594 7.423 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.147 7.999 8.320 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -13.915 10.063 9.310 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.087 7.256 9.029 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.848 9.325 10.013 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.928 7.933 9.870 1.00 0.00 C ATOM 0 H TRP A 73 -12.135 10.862 5.021 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.472 12.064 7.183 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.577 11.206 6.798 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.264 11.668 8.343 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.687 8.670 6.272 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.028 6.632 7.129 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.860 11.135 9.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.150 6.183 8.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.527 9.829 10.684 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.667 7.384 10.434 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.966 13.833 5.932 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.429 15.180 5.869 1.00 0.00 C ATOM 1143 C GLY A 74 -9.872 15.644 7.201 1.00 0.00 C ATOM 1144 O GLY A 74 -8.675 15.516 7.458 1.00 0.00 O ATOM 0 H GLY A 74 -10.457 13.142 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.642 15.219 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.213 15.866 5.547 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.742 16.186 8.047 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.329 16.673 9.358 1.00 0.00 C ATOM 1150 C GLN A 75 -9.729 15.546 10.193 1.00 0.00 C ATOM 1151 O GLN A 75 -8.680 15.713 10.816 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.519 17.291 10.094 1.00 0.00 C ATOM 1153 CG GLN A 75 -11.219 17.653 11.540 1.00 0.00 C ATOM 1154 CD GLN A 75 -12.111 18.763 12.060 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -13.337 18.653 12.034 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -11.499 19.840 12.539 1.00 0.00 N ATOM 0 H GLN A 75 -11.736 16.299 7.848 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.566 17.437 9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.838 18.187 9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.354 16.591 10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.343 16.769 12.165 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.176 17.960 11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.480 19.889 12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.048 20.618 12.905 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.401 14.401 10.202 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.936 13.247 10.964 1.00 0.00 C ATOM 1167 C TYR A 76 -9.408 12.159 10.035 1.00 0.00 C ATOM 1168 O TYR A 76 -9.686 10.975 10.227 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.069 12.691 11.829 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.154 13.327 13.197 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -10.426 12.820 14.267 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -11.963 14.434 13.422 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -10.501 13.398 15.520 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -12.043 15.019 14.670 1.00 0.00 C ATOM 1175 CZ TYR A 76 -11.310 14.498 15.716 1.00 0.00 C ATOM 1176 OH TYR A 76 -11.389 15.077 16.962 1.00 0.00 O ATOM 0 H TYR A 76 -11.270 14.246 9.690 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.122 13.574 11.611 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.016 12.837 11.310 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.932 11.616 11.945 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.791 11.960 14.117 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.540 14.844 12.606 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.930 12.991 16.341 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.676 15.880 14.826 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.001 15.842 16.929 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.645 12.569 9.027 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.076 11.630 8.069 1.00 0.00 C ATOM 1188 C ALA A 77 -6.841 10.942 8.642 1.00 0.00 C ATOM 1189 O ALA A 77 -6.768 9.714 8.690 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.730 12.344 6.771 1.00 0.00 C ATOM 0 H ALA A 77 -8.407 13.545 8.853 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.823 10.864 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.306 11.630 6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.632 12.783 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.003 13.131 6.971 1.00 0.00 H new ATOM 1196 N SER A 78 -5.871 11.742 9.074 1.00 0.00 N ATOM 1197 CA SER A 78 -4.637 11.210 9.640 1.00 0.00 C ATOM 1198 C SER A 78 -4.936 10.206 10.748 1.00 0.00 C ATOM 1199 O SER A 78 -4.409 9.093 10.752 1.00 0.00 O ATOM 1200 CB SER A 78 -3.770 12.346 10.185 1.00 0.00 C ATOM 1201 OG SER A 78 -2.654 11.840 10.898 1.00 0.00 O ATOM 0 H SER A 78 -5.916 12.761 9.043 1.00 0.00 H new ATOM 0 HA SER A 78 -4.094 10.697 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.426 12.972 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.367 12.981 10.840 1.00 0.00 H new ATOM 0 HG SER A 78 -2.115 12.586 11.235 1.00 0.00 H new ATOM 1207 N ASP A 79 -5.785 10.607 11.688 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.156 9.743 12.803 1.00 0.00 C ATOM 1209 C ASP A 79 -6.414 8.318 12.323 1.00 0.00 C ATOM 1210 O ASP A 79 -6.055 7.351 12.995 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.399 10.290 13.508 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.083 11.472 14.403 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.879 12.582 13.870 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.038 11.286 15.638 1.00 0.00 O ATOM 0 H ASP A 79 -6.229 11.525 11.700 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.326 9.725 13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.134 10.590 12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.854 9.498 14.103 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.040 8.196 11.157 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.347 6.889 10.587 1.00 0.00 C ATOM 1221 C VAL A 80 -6.073 6.143 10.207 1.00 0.00 C ATOM 1222 O VAL A 80 -5.172 6.709 9.588 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.245 7.016 9.342 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.538 5.645 8.752 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.536 7.743 9.689 1.00 0.00 C ATOM 0 H VAL A 80 -7.345 8.986 10.588 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.880 6.326 11.354 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.715 7.602 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.174 5.755 7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.602 5.165 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.048 5.031 9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.159 7.824 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.072 7.186 10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.303 8.741 10.061 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.005 4.870 10.582 1.00 0.00 N ATOM 1236 CA GLN A 81 -4.841 4.046 10.280 1.00 0.00 C ATOM 1237 C GLN A 81 -5.234 2.835 9.439 1.00 0.00 C ATOM 1238 O GLN A 81 -6.296 2.245 9.640 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.166 3.586 11.573 1.00 0.00 C ATOM 1240 CG GLN A 81 -5.067 2.747 12.465 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.394 2.347 13.763 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -3.666 3.134 14.367 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -4.635 1.116 14.199 1.00 0.00 N ATOM 0 H GLN A 81 -6.742 4.387 11.095 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.138 4.651 9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.276 3.008 11.323 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.831 4.461 12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.975 3.308 12.689 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.371 1.850 11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.245 0.497 13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.210 0.790 15.067 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.371 2.470 8.498 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.627 1.329 7.625 1.00 0.00 C ATOM 1254 C LEU A 82 -4.066 0.046 8.228 1.00 0.00 C ATOM 1255 O LEU A 82 -3.095 0.077 8.985 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.013 1.569 6.245 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.802 2.484 5.308 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -5.915 1.710 4.619 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.371 3.670 6.075 1.00 0.00 C ATOM 0 H LEU A 82 -3.487 2.947 8.319 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.706 1.218 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.018 1.993 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.884 0.604 5.754 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.123 2.862 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.466 2.377 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.485 0.895 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.593 1.303 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.929 4.311 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.036 3.310 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.556 4.239 6.522 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.682 -1.081 7.887 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.241 -2.375 8.392 1.00 0.00 C ATOM 1273 C ILE A 83 -4.250 -3.428 7.289 1.00 0.00 C ATOM 1274 O ILE A 83 -5.301 -3.760 6.740 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.130 -2.858 9.553 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.147 -1.821 10.678 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.640 -4.202 10.072 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.242 -0.788 10.530 1.00 0.00 C ATOM 0 H ILE A 83 -5.488 -1.124 7.263 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.222 -2.241 8.755 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.148 -2.982 9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.269 -2.334 11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.182 -1.314 10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.278 -4.530 10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.675 -4.937 9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.615 -4.103 10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.194 -0.085 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.109 -0.249 9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.213 -1.284 10.529 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.071 -3.951 6.969 1.00 0.00 N ATOM 1291 CA LEU A 84 -2.941 -4.968 5.931 1.00 0.00 C ATOM 1292 C LEU A 84 -3.333 -6.342 6.465 1.00 0.00 C ATOM 1293 O LEU A 84 -2.596 -6.951 7.242 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.507 -5.004 5.401 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.314 -5.655 4.031 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.893 -4.774 2.935 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.160 -5.931 3.774 1.00 0.00 C ATOM 0 H LEU A 84 -2.192 -3.688 7.413 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.616 -4.709 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.134 -3.981 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.887 -5.534 6.124 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.847 -6.606 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.746 -5.254 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.959 -4.629 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.389 -3.807 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.278 -6.394 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.716 -4.994 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.544 -6.603 4.542 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.495 -6.827 6.042 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.984 -8.130 6.476 1.00 0.00 C ATOM 1311 C ARG A 85 -4.884 -9.152 5.347 1.00 0.00 C ATOM 1312 O ARG A 85 -4.709 -8.791 4.183 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.433 -8.022 6.954 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.984 -9.317 7.527 1.00 0.00 C ATOM 1315 CD ARG A 85 -8.208 -9.067 8.394 1.00 0.00 C ATOM 1316 NE ARG A 85 -8.547 -10.229 9.210 1.00 0.00 N ATOM 1317 CZ ARG A 85 -9.759 -10.449 9.709 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -10.741 -9.590 9.475 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -9.990 -11.530 10.443 1.00 0.00 N ATOM 0 H ARG A 85 -5.116 -6.337 5.398 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.360 -8.467 7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.499 -7.242 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.060 -7.709 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.245 -9.994 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.213 -9.812 8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.024 -8.210 9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.056 -8.810 7.759 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.813 -10.909 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.567 -8.758 8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.670 -9.761 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.237 -12.193 10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.921 -11.698 10.825 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.996 -10.428 5.700 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.917 -11.502 4.717 1.00 0.00 C ATOM 1335 C ARG A 86 -6.260 -12.215 4.581 1.00 0.00 C ATOM 1336 O ARG A 86 -7.035 -12.291 5.535 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.833 -12.506 5.114 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.199 -13.353 6.322 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.208 -14.488 6.527 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.084 -14.858 7.934 1.00 0.00 N ATOM 1341 CZ ARG A 86 -2.295 -14.223 8.794 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -1.566 -13.191 8.392 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -2.236 -14.619 10.059 1.00 0.00 N ATOM 0 H ARG A 86 -5.142 -10.744 6.659 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.660 -11.061 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.631 -13.163 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.910 -11.966 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.225 -12.726 7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.201 -13.762 6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.527 -15.356 5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.232 -14.191 6.143 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.633 -15.647 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.610 -12.883 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.961 -12.705 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.797 -15.412 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.630 -14.131 10.718 1.00 0.00 H new