USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 542 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 34 TYR OH : rot -134:sc= 1.21 USER MOD Set 1.2: A 36 SER OG : rot -57:sc= 2.29 USER MOD Set 2.1: A 25 SER OG : rot -170:sc= 0 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 158:sc= 2.04 (180deg=1.04) USER MOD Set 2.3: A 29 HIS : no HE2:sc= 0.386 K(o=3.5,f=-5.8!) USER MOD Set 2.4: A 61 THR OG1 : rot 80:sc= 1.11 USER MOD Set 3.1: A 17 SER OG : rot 180:sc= -0.0215 USER MOD Set 3.2: A 20 HIS : no HE2:sc= 0.047 K(o=2.2,f=-12!) USER MOD Set 3.3: A 21 LYS NZ :NH3+ 173:sc= 2.14 (180deg=1.08) USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= -0.726 USER MOD Set 4.2: A 18 CYS SG : rot -140:sc= 0.21 USER MOD Single : A 13 MET CE :methyl 172:sc= -1.27 (180deg=-1.51) USER MOD Single : A 14 THR OG1 : rot -23:sc= 0.167 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 15:sc= 1.14 USER MOD Single : A 35 CYS SG : rot 38:sc= -0.0566 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 3.44 K(o=3.4,f=-10!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0.687) USER MOD Single : A 45 HIS : no HE2:sc= -2.3! X(o=-2.3!,f=-2.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.13) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.035 -1.794 -6.448 1.00 0.98 N ATOM 47 CA VAL A 5 -7.869 -1.047 -6.003 1.00 0.89 C ATOM 48 C VAL A 5 -8.268 -0.075 -4.898 1.00 0.82 C ATOM 49 O VAL A 5 -9.266 0.631 -5.025 1.00 1.17 O ATOM 50 CB VAL A 5 -7.150 -0.385 -7.198 1.00 1.46 C ATOM 51 CG1 VAL A 5 -8.052 0.512 -8.054 1.00 1.72 C ATOM 52 CG2 VAL A 5 -5.938 0.444 -6.752 1.00 3.12 C ATOM 0 HA VAL A 5 -7.136 -1.725 -5.567 1.00 0.89 H new ATOM 0 HB VAL A 5 -6.830 -1.228 -7.811 1.00 1.46 H new ATOM 0 HG11 VAL A 5 -7.471 0.938 -8.872 1.00 1.72 H new ATOM 0 HG12 VAL A 5 -8.872 -0.079 -8.462 1.00 1.72 H new ATOM 0 HG13 VAL A 5 -8.456 1.316 -7.438 1.00 1.72 H new ATOM 0 HG21 VAL A 5 -5.462 0.892 -7.625 1.00 3.12 H new ATOM 0 HG22 VAL A 5 -6.266 1.232 -6.073 1.00 3.12 H new ATOM 0 HG23 VAL A 5 -5.224 -0.202 -6.241 1.00 3.12 H new ATOM 62 N LEU A 6 -7.485 -0.062 -3.818 1.00 0.72 N ATOM 63 CA LEU A 6 -7.578 0.897 -2.734 1.00 0.76 C ATOM 64 C LEU A 6 -6.349 1.794 -2.860 1.00 0.63 C ATOM 65 O LEU A 6 -5.305 1.324 -3.317 1.00 0.61 O ATOM 66 CB LEU A 6 -7.583 0.121 -1.408 1.00 0.94 C ATOM 67 CG LEU A 6 -7.515 1.004 -0.154 1.00 1.85 C ATOM 68 CD1 LEU A 6 -8.755 1.894 0.000 1.00 2.83 C ATOM 69 CD2 LEU A 6 -7.368 0.123 1.091 1.00 2.46 C ATOM 0 H LEU A 6 -6.743 -0.748 -3.676 1.00 0.72 H new ATOM 0 HA LEU A 6 -8.484 1.502 -2.769 1.00 0.76 H new ATOM 0 HB2 LEU A 6 -8.487 -0.487 -1.361 1.00 0.94 H new ATOM 0 HB3 LEU A 6 -6.736 -0.565 -1.400 1.00 0.94 H new ATOM 0 HG LEU A 6 -6.649 1.656 -0.264 1.00 1.85 H new ATOM 0 HD11 LEU A 6 -8.659 2.499 0.901 1.00 2.83 H new ATOM 0 HD12 LEU A 6 -8.844 2.547 -0.868 1.00 2.83 H new ATOM 0 HD13 LEU A 6 -9.645 1.269 0.076 1.00 2.83 H new ATOM 0 HD21 LEU A 6 -7.320 0.753 1.979 1.00 2.46 H new ATOM 0 HD22 LEU A 6 -8.225 -0.546 1.167 1.00 2.46 H new ATOM 0 HD23 LEU A 6 -6.454 -0.466 1.014 1.00 2.46 H new ATOM 81 N GLU A 7 -6.459 3.062 -2.452 1.00 0.73 N ATOM 82 CA GLU A 7 -5.318 3.952 -2.345 1.00 0.71 C ATOM 83 C GLU A 7 -5.166 4.395 -0.896 1.00 0.71 C ATOM 84 O GLU A 7 -6.138 4.423 -0.142 1.00 1.31 O ATOM 85 CB GLU A 7 -5.456 5.157 -3.278 1.00 0.78 C ATOM 86 CG GLU A 7 -5.667 4.772 -4.745 1.00 0.83 C ATOM 87 CD GLU A 7 -5.698 6.023 -5.609 1.00 1.28 C ATOM 88 OE1 GLU A 7 -4.593 6.501 -5.958 1.00 2.00 O ATOM 89 OE2 GLU A 7 -6.817 6.509 -5.869 1.00 2.60 O ATOM 0 H GLU A 7 -7.345 3.492 -2.188 1.00 0.73 H new ATOM 0 HA GLU A 7 -4.421 3.415 -2.654 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -6.295 5.769 -2.947 1.00 0.78 H new ATOM 0 HB3 GLU A 7 -4.561 5.773 -3.197 1.00 0.78 H new ATOM 0 HG2 GLU A 7 -4.866 4.111 -5.075 1.00 0.83 H new ATOM 0 HG3 GLU A 7 -6.601 4.221 -4.855 1.00 0.83 H new ATOM 96 N LEU A 8 -3.937 4.720 -0.502 1.00 0.51 N ATOM 97 CA LEU A 8 -3.639 5.212 0.830 1.00 0.58 C ATOM 98 C LEU A 8 -2.434 6.142 0.734 1.00 0.54 C ATOM 99 O LEU A 8 -1.452 5.833 0.059 1.00 0.51 O ATOM 100 CB LEU A 8 -3.450 4.064 1.847 1.00 0.70 C ATOM 101 CG LEU A 8 -2.725 2.832 1.281 1.00 0.81 C ATOM 102 CD1 LEU A 8 -1.916 2.150 2.381 1.00 1.21 C ATOM 103 CD2 LEU A 8 -3.707 1.784 0.731 1.00 1.31 C ATOM 0 H LEU A 8 -3.118 4.647 -1.106 1.00 0.51 H new ATOM 0 HA LEU A 8 -4.486 5.778 1.217 1.00 0.58 H new ATOM 0 HB2 LEU A 8 -2.889 4.440 2.702 1.00 0.70 H new ATOM 0 HB3 LEU A 8 -4.428 3.757 2.217 1.00 0.70 H new ATOM 0 HG LEU A 8 -2.086 3.192 0.475 1.00 0.81 H new ATOM 0 HD11 LEU A 8 -1.406 1.278 1.970 1.00 1.21 H new ATOM 0 HD12 LEU A 8 -1.179 2.849 2.777 1.00 1.21 H new ATOM 0 HD13 LEU A 8 -2.584 1.835 3.182 1.00 1.21 H new ATOM 0 HD21 LEU A 8 -3.150 0.932 0.342 1.00 1.31 H new ATOM 0 HD22 LEU A 8 -4.369 1.450 1.530 1.00 1.31 H new ATOM 0 HD23 LEU A 8 -4.300 2.226 -0.070 1.00 1.31 H new ATOM 115 N VAL A 9 -2.542 7.305 1.377 1.00 0.57 N ATOM 116 CA VAL A 9 -1.487 8.296 1.468 1.00 0.57 C ATOM 117 C VAL A 9 -0.549 7.787 2.557 1.00 0.53 C ATOM 118 O VAL A 9 -0.900 7.808 3.732 1.00 0.62 O ATOM 119 CB VAL A 9 -2.073 9.684 1.776 1.00 0.68 C ATOM 120 CG1 VAL A 9 -0.960 10.738 1.827 1.00 0.91 C ATOM 121 CG2 VAL A 9 -3.091 10.096 0.704 1.00 1.04 C ATOM 0 H VAL A 9 -3.395 7.585 1.861 1.00 0.57 H new ATOM 0 HA VAL A 9 -0.944 8.422 0.531 1.00 0.57 H new ATOM 0 HB VAL A 9 -2.569 9.625 2.745 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -1.393 11.714 2.046 1.00 0.91 H new ATOM 0 HG12 VAL A 9 -0.245 10.475 2.607 1.00 0.91 H new ATOM 0 HG13 VAL A 9 -0.450 10.775 0.865 1.00 0.91 H new ATOM 0 HG21 VAL A 9 -3.492 11.081 0.943 1.00 1.04 H new ATOM 0 HG22 VAL A 9 -2.601 10.130 -0.269 1.00 1.04 H new ATOM 0 HG23 VAL A 9 -3.904 9.370 0.676 1.00 1.04 H new ATOM 131 N VAL A 10 0.603 7.264 2.146 1.00 0.48 N ATOM 132 CA VAL A 10 1.576 6.586 2.972 1.00 0.43 C ATOM 133 C VAL A 10 2.637 7.604 3.383 1.00 0.49 C ATOM 134 O VAL A 10 3.663 7.744 2.720 1.00 0.58 O ATOM 135 CB VAL A 10 2.143 5.386 2.199 1.00 0.39 C ATOM 136 CG1 VAL A 10 1.145 4.227 2.219 1.00 0.58 C ATOM 137 CG2 VAL A 10 2.436 5.688 0.729 1.00 0.65 C ATOM 0 H VAL A 10 0.891 7.309 1.169 1.00 0.48 H new ATOM 0 HA VAL A 10 1.134 6.185 3.884 1.00 0.43 H new ATOM 0 HB VAL A 10 3.078 5.137 2.700 1.00 0.39 H new ATOM 0 HG11 VAL A 10 1.558 3.382 1.668 1.00 0.58 H new ATOM 0 HG12 VAL A 10 0.954 3.929 3.250 1.00 0.58 H new ATOM 0 HG13 VAL A 10 0.211 4.543 1.753 1.00 0.58 H new ATOM 0 HG21 VAL A 10 2.834 4.795 0.246 1.00 0.65 H new ATOM 0 HG22 VAL A 10 1.516 5.991 0.229 1.00 0.65 H new ATOM 0 HG23 VAL A 10 3.168 6.493 0.662 1.00 0.65 H new ATOM 147 N ARG A 11 2.396 8.335 4.473 1.00 0.59 N ATOM 148 CA ARG A 11 3.263 9.458 4.800 1.00 0.70 C ATOM 149 C ARG A 11 4.564 8.944 5.414 1.00 0.82 C ATOM 150 O ARG A 11 4.527 8.113 6.323 1.00 0.93 O ATOM 151 CB ARG A 11 2.597 10.448 5.763 1.00 0.91 C ATOM 152 CG ARG A 11 1.268 11.012 5.240 1.00 1.40 C ATOM 153 CD ARG A 11 0.646 11.994 6.246 1.00 1.81 C ATOM 154 NE ARG A 11 1.570 13.101 6.568 1.00 3.29 N ATOM 155 CZ ARG A 11 2.296 13.232 7.694 1.00 4.43 C ATOM 156 NH1 ARG A 11 2.028 12.505 8.775 1.00 4.59 N ATOM 157 NH2 ARG A 11 3.315 14.097 7.736 1.00 6.06 N ATOM 0 H ARG A 11 1.629 8.173 5.125 1.00 0.59 H new ATOM 0 HA ARG A 11 3.468 9.991 3.872 1.00 0.70 H new ATOM 0 HB2 ARG A 11 2.421 9.952 6.717 1.00 0.91 H new ATOM 0 HB3 ARG A 11 3.283 11.273 5.954 1.00 0.91 H new ATOM 0 HG2 ARG A 11 1.434 11.518 4.289 1.00 1.40 H new ATOM 0 HG3 ARG A 11 0.573 10.194 5.049 1.00 1.40 H new ATOM 0 HD2 ARG A 11 -0.279 12.399 5.836 1.00 1.81 H new ATOM 0 HD3 ARG A 11 0.383 11.461 7.160 1.00 1.81 H new ATOM 0 HE ARG A 11 1.667 13.838 5.869 1.00 3.29 H new ATOM 0 HH11 ARG A 11 1.261 11.833 8.760 1.00 4.59 H new ATOM 0 HH12 ARG A 11 2.590 12.619 9.619 1.00 4.59 H new ATOM 0 HH21 ARG A 11 3.542 14.658 6.915 1.00 6.06 H new ATOM 0 HH22 ARG A 11 3.865 14.196 8.589 1.00 6.06 H new ATOM 171 N GLY A 12 5.694 9.464 4.925 1.00 0.92 N ATOM 172 CA GLY A 12 7.026 9.262 5.479 1.00 1.03 C ATOM 173 C GLY A 12 8.062 8.855 4.426 1.00 0.99 C ATOM 174 O GLY A 12 9.237 8.715 4.755 1.00 1.02 O ATOM 0 H GLY A 12 5.700 10.061 4.098 1.00 0.92 H new ATOM 0 HA2 GLY A 12 7.353 10.181 5.965 1.00 1.03 H new ATOM 0 HA3 GLY A 12 6.979 8.493 6.250 1.00 1.03 H new ATOM 178 N MET A 13 7.661 8.647 3.167 1.00 1.23 N ATOM 179 CA MET A 13 8.572 8.197 2.134 1.00 1.20 C ATOM 180 C MET A 13 9.461 9.353 1.678 1.00 1.39 C ATOM 181 O MET A 13 8.955 10.321 1.106 1.00 1.89 O ATOM 182 CB MET A 13 7.781 7.691 0.935 1.00 1.69 C ATOM 183 CG MET A 13 6.742 6.617 1.260 1.00 0.87 C ATOM 184 SD MET A 13 5.556 6.414 -0.083 1.00 1.15 S ATOM 185 CE MET A 13 6.698 6.176 -1.451 1.00 1.42 C ATOM 0 H MET A 13 6.703 8.787 2.847 1.00 1.23 H new ATOM 0 HA MET A 13 9.189 7.396 2.540 1.00 1.20 H new ATOM 0 HB2 MET A 13 7.276 8.536 0.468 1.00 1.69 H new ATOM 0 HB3 MET A 13 8.479 7.291 0.200 1.00 1.69 H new ATOM 0 HG2 MET A 13 7.245 5.669 1.449 1.00 0.87 H new ATOM 0 HG3 MET A 13 6.214 6.885 2.175 1.00 0.87 H new ATOM 0 HE1 MET A 13 6.142 5.893 -2.344 1.00 1.42 H new ATOM 0 HE2 MET A 13 7.239 7.103 -1.639 1.00 1.42 H new ATOM 0 HE3 MET A 13 7.407 5.387 -1.200 1.00 1.42 H new ATOM 195 N THR A 14 10.772 9.236 1.898 1.00 1.31 N ATOM 196 CA THR A 14 11.751 10.225 1.474 1.00 1.77 C ATOM 197 C THR A 14 12.463 9.851 0.168 1.00 1.44 C ATOM 198 O THR A 14 13.044 10.750 -0.440 1.00 1.72 O ATOM 199 CB THR A 14 12.750 10.518 2.606 1.00 2.45 C ATOM 200 OG1 THR A 14 13.573 11.610 2.244 1.00 3.13 O ATOM 201 CG2 THR A 14 13.637 9.322 2.969 1.00 2.97 C ATOM 0 H THR A 14 11.184 8.439 2.383 1.00 1.31 H new ATOM 0 HA THR A 14 11.201 11.140 1.254 1.00 1.77 H new ATOM 0 HB THR A 14 12.153 10.750 3.488 1.00 2.45 H new ATOM 0 HG1 THR A 14 13.595 11.693 1.268 1.00 3.13 H new ATOM 0 HG21 THR A 14 14.316 9.603 3.774 1.00 2.97 H new ATOM 0 HG22 THR A 14 13.012 8.491 3.295 1.00 2.97 H new ATOM 0 HG23 THR A 14 14.215 9.020 2.096 1.00 2.97 H new ATOM 209 N CYS A 15 12.499 8.575 -0.251 1.00 1.05 N ATOM 210 CA CYS A 15 13.314 8.172 -1.395 1.00 0.94 C ATOM 211 C CYS A 15 12.894 6.810 -1.954 1.00 0.72 C ATOM 212 O CYS A 15 12.049 6.115 -1.386 1.00 0.57 O ATOM 213 CB CYS A 15 14.797 8.159 -0.987 1.00 1.21 C ATOM 214 SG CYS A 15 15.249 6.833 0.158 1.00 1.79 S ATOM 0 H CYS A 15 11.976 7.815 0.185 1.00 1.05 H new ATOM 0 HA CYS A 15 13.160 8.899 -2.193 1.00 0.94 H new ATOM 0 HB2 CYS A 15 15.407 8.069 -1.886 1.00 1.21 H new ATOM 0 HB3 CYS A 15 15.043 9.117 -0.529 1.00 1.21 H new ATOM 0 HG CYS A 15 16.517 6.912 0.434 1.00 1.79 H new ATOM 219 N ALA A 16 13.535 6.411 -3.056 1.00 0.80 N ATOM 220 CA ALA A 16 13.346 5.116 -3.701 1.00 0.76 C ATOM 221 C ALA A 16 13.522 3.955 -2.716 1.00 0.70 C ATOM 222 O ALA A 16 12.821 2.944 -2.806 1.00 0.69 O ATOM 223 CB ALA A 16 14.326 4.982 -4.869 1.00 0.96 C ATOM 0 H ALA A 16 14.218 6.999 -3.534 1.00 0.80 H new ATOM 0 HA ALA A 16 12.323 5.067 -4.073 1.00 0.76 H new ATOM 0 HB1 ALA A 16 14.186 4.015 -5.352 1.00 0.96 H new ATOM 0 HB2 ALA A 16 14.143 5.778 -5.591 1.00 0.96 H new ATOM 0 HB3 ALA A 16 15.348 5.057 -4.497 1.00 0.96 H new ATOM 229 N SER A 17 14.454 4.097 -1.765 1.00 0.72 N ATOM 230 CA SER A 17 14.618 3.095 -0.725 1.00 0.76 C ATOM 231 C SER A 17 13.309 2.905 0.030 1.00 0.59 C ATOM 232 O SER A 17 13.011 1.780 0.401 1.00 0.70 O ATOM 233 CB SER A 17 15.768 3.409 0.242 1.00 1.10 C ATOM 234 OG SER A 17 16.074 2.274 1.049 1.00 2.49 O ATOM 0 H SER A 17 15.095 4.888 -1.701 1.00 0.72 H new ATOM 0 HA SER A 17 14.888 2.163 -1.222 1.00 0.76 H new ATOM 0 HB2 SER A 17 16.651 3.709 -0.321 1.00 1.10 H new ATOM 0 HB3 SER A 17 15.495 4.251 0.878 1.00 1.10 H new ATOM 0 HG SER A 17 16.810 2.494 1.657 1.00 2.49 H new ATOM 240 N CYS A 18 12.521 3.954 0.275 1.00 0.51 N ATOM 241 CA CYS A 18 11.228 3.779 0.912 1.00 0.49 C ATOM 242 C CYS A 18 10.277 3.061 -0.043 1.00 0.48 C ATOM 243 O CYS A 18 9.710 2.024 0.310 1.00 0.63 O ATOM 244 CB CYS A 18 10.681 5.136 1.356 1.00 0.60 C ATOM 245 SG CYS A 18 11.768 5.996 2.521 1.00 0.79 S ATOM 0 H CYS A 18 12.757 4.919 0.043 1.00 0.51 H new ATOM 0 HA CYS A 18 11.332 3.160 1.803 1.00 0.49 H new ATOM 0 HB2 CYS A 18 10.530 5.764 0.478 1.00 0.60 H new ATOM 0 HB3 CYS A 18 9.704 4.993 1.818 1.00 0.60 H new ATOM 0 HG CYS A 18 11.051 6.573 3.439 1.00 0.79 H new ATOM 250 N VAL A 19 10.140 3.608 -1.257 1.00 0.40 N ATOM 251 CA VAL A 19 9.232 3.125 -2.295 1.00 0.42 C ATOM 252 C VAL A 19 9.258 1.603 -2.352 1.00 0.50 C ATOM 253 O VAL A 19 8.234 0.932 -2.187 1.00 0.52 O ATOM 254 CB VAL A 19 9.622 3.733 -3.657 1.00 0.49 C ATOM 255 CG1 VAL A 19 8.885 3.085 -4.837 1.00 0.66 C ATOM 256 CG2 VAL A 19 9.369 5.244 -3.669 1.00 0.49 C ATOM 0 H VAL A 19 10.677 4.425 -1.549 1.00 0.40 H new ATOM 0 HA VAL A 19 8.216 3.438 -2.055 1.00 0.42 H new ATOM 0 HB VAL A 19 10.686 3.532 -3.783 1.00 0.49 H new ATOM 0 HG11 VAL A 19 9.202 3.556 -5.767 1.00 0.66 H new ATOM 0 HG12 VAL A 19 9.118 2.021 -4.871 1.00 0.66 H new ATOM 0 HG13 VAL A 19 7.810 3.217 -4.712 1.00 0.66 H new ATOM 0 HG21 VAL A 19 9.651 5.652 -4.639 1.00 0.49 H new ATOM 0 HG22 VAL A 19 8.312 5.437 -3.487 1.00 0.49 H new ATOM 0 HG23 VAL A 19 9.964 5.719 -2.889 1.00 0.49 H new ATOM 266 N HIS A 20 10.457 1.063 -2.570 1.00 0.59 N ATOM 267 CA HIS A 20 10.587 -0.343 -2.851 1.00 0.68 C ATOM 268 C HIS A 20 10.212 -1.224 -1.653 1.00 0.74 C ATOM 269 O HIS A 20 9.858 -2.384 -1.857 1.00 0.74 O ATOM 270 CB HIS A 20 11.938 -0.614 -3.525 1.00 0.81 C ATOM 271 CG HIS A 20 13.219 -0.499 -2.728 1.00 1.07 C ATOM 272 ND1 HIS A 20 14.483 -0.475 -3.275 1.00 1.49 N ATOM 273 CD2 HIS A 20 13.376 -0.548 -1.372 1.00 1.08 C ATOM 274 CE1 HIS A 20 15.370 -0.508 -2.266 1.00 1.66 C ATOM 275 NE2 HIS A 20 14.743 -0.560 -1.078 1.00 1.41 N ATOM 0 H HIS A 20 11.335 1.581 -2.555 1.00 0.59 H new ATOM 0 HA HIS A 20 9.842 -0.651 -3.584 1.00 0.68 H new ATOM 0 HB2 HIS A 20 11.900 -1.624 -3.933 1.00 0.81 H new ATOM 0 HB3 HIS A 20 12.021 0.068 -4.371 1.00 0.81 H new ATOM 0 HD1 HIS A 20 14.706 -0.439 -4.270 1.00 1.49 H new ATOM 0 HD2 HIS A 20 12.576 -0.573 -0.647 1.00 1.08 H new ATOM 0 HE1 HIS A 20 16.442 -0.495 -2.393 1.00 1.66 H new ATOM 283 N LYS A 21 10.235 -0.699 -0.415 1.00 0.83 N ATOM 284 CA LYS A 21 9.813 -1.488 0.735 1.00 0.91 C ATOM 285 C LYS A 21 8.316 -1.692 0.617 1.00 0.83 C ATOM 286 O LYS A 21 7.834 -2.808 0.779 1.00 0.94 O ATOM 287 CB LYS A 21 10.108 -0.829 2.093 1.00 1.11 C ATOM 288 CG LYS A 21 11.549 -0.376 2.323 1.00 0.95 C ATOM 289 CD LYS A 21 12.606 -1.489 2.238 1.00 2.47 C ATOM 290 CE LYS A 21 14.015 -0.962 2.581 1.00 3.35 C ATOM 291 NZ LYS A 21 14.530 0.002 1.581 1.00 4.84 N ATOM 0 H LYS A 21 10.537 0.251 -0.196 1.00 0.83 H new ATOM 0 HA LYS A 21 10.378 -2.420 0.717 1.00 0.91 H new ATOM 0 HB2 LYS A 21 9.455 0.037 2.203 1.00 1.11 H new ATOM 0 HB3 LYS A 21 9.840 -1.533 2.881 1.00 1.11 H new ATOM 0 HG2 LYS A 21 11.793 0.392 1.589 1.00 0.95 H new ATOM 0 HG3 LYS A 21 11.614 0.091 3.306 1.00 0.95 H new ATOM 0 HD2 LYS A 21 12.342 -2.295 2.922 1.00 2.47 H new ATOM 0 HD3 LYS A 21 12.610 -1.912 1.233 1.00 2.47 H new ATOM 0 HE2 LYS A 21 13.990 -0.483 3.560 1.00 3.35 H new ATOM 0 HE3 LYS A 21 14.704 -1.803 2.655 1.00 3.35 H new ATOM 0 HZ1 LYS A 21 15.424 0.411 1.921 1.00 4.84 H new ATOM 0 HZ2 LYS A 21 14.695 -0.488 0.679 1.00 4.84 H new ATOM 0 HZ3 LYS A 21 13.833 0.761 1.440 1.00 4.84 H new ATOM 305 N ILE A 22 7.580 -0.612 0.349 1.00 0.67 N ATOM 306 CA ILE A 22 6.133 -0.691 0.292 1.00 0.66 C ATOM 307 C ILE A 22 5.747 -1.598 -0.878 1.00 0.75 C ATOM 308 O ILE A 22 5.060 -2.595 -0.671 1.00 0.90 O ATOM 309 CB ILE A 22 5.475 0.701 0.253 1.00 0.62 C ATOM 310 CG1 ILE A 22 6.161 1.661 1.240 1.00 0.46 C ATOM 311 CG2 ILE A 22 3.972 0.536 0.526 1.00 0.97 C ATOM 312 CD1 ILE A 22 5.371 2.930 1.569 1.00 0.63 C ATOM 0 H ILE A 22 7.964 0.316 0.171 1.00 0.67 H new ATOM 0 HA ILE A 22 5.745 -1.137 1.208 1.00 0.66 H new ATOM 0 HB ILE A 22 5.597 1.152 -0.732 1.00 0.62 H new ATOM 0 HG12 ILE A 22 6.358 1.124 2.168 1.00 0.46 H new ATOM 0 HG13 ILE A 22 7.128 1.950 0.828 1.00 0.46 H new ATOM 0 HG21 ILE A 22 3.489 1.513 0.502 1.00 0.97 H new ATOM 0 HG22 ILE A 22 3.532 -0.105 -0.237 1.00 0.97 H new ATOM 0 HG23 ILE A 22 3.828 0.084 1.507 1.00 0.97 H new ATOM 0 HD11 ILE A 22 5.939 3.540 2.272 1.00 0.63 H new ATOM 0 HD12 ILE A 22 5.197 3.497 0.655 1.00 0.63 H new ATOM 0 HD13 ILE A 22 4.414 2.658 2.015 1.00 0.63 H new ATOM 324 N GLU A 23 6.230 -1.306 -2.090 1.00 0.65 N ATOM 325 CA GLU A 23 5.964 -2.156 -3.248 1.00 0.58 C ATOM 326 C GLU A 23 6.283 -3.628 -2.937 1.00 0.71 C ATOM 327 O GLU A 23 5.380 -4.468 -2.959 1.00 0.80 O ATOM 328 CB GLU A 23 6.695 -1.606 -4.487 1.00 0.57 C ATOM 329 CG GLU A 23 5.763 -0.668 -5.278 1.00 1.32 C ATOM 330 CD GLU A 23 6.479 0.326 -6.192 1.00 1.41 C ATOM 331 OE1 GLU A 23 7.703 0.165 -6.373 1.00 2.01 O ATOM 332 OE2 GLU A 23 5.776 1.243 -6.689 1.00 2.35 O ATOM 0 H GLU A 23 6.806 -0.488 -2.291 1.00 0.65 H new ATOM 0 HA GLU A 23 4.900 -2.134 -3.482 1.00 0.58 H new ATOM 0 HB2 GLU A 23 7.592 -1.067 -4.181 1.00 0.57 H new ATOM 0 HB3 GLU A 23 7.020 -2.430 -5.123 1.00 0.57 H new ATOM 0 HG2 GLU A 23 5.088 -1.274 -5.882 1.00 1.32 H new ATOM 0 HG3 GLU A 23 5.146 -0.112 -4.572 1.00 1.32 H new ATOM 339 N SER A 24 7.539 -3.931 -2.586 1.00 0.80 N ATOM 340 CA SER A 24 7.972 -5.299 -2.309 1.00 0.96 C ATOM 341 C SER A 24 7.100 -5.955 -1.231 1.00 1.08 C ATOM 342 O SER A 24 6.563 -7.047 -1.424 1.00 1.27 O ATOM 343 CB SER A 24 9.455 -5.301 -1.913 1.00 1.12 C ATOM 344 OG SER A 24 9.930 -6.624 -1.757 1.00 2.09 O ATOM 0 H SER A 24 8.278 -3.235 -2.487 1.00 0.80 H new ATOM 0 HA SER A 24 7.853 -5.894 -3.214 1.00 0.96 H new ATOM 0 HB2 SER A 24 10.041 -4.787 -2.675 1.00 1.12 H new ATOM 0 HB3 SER A 24 9.589 -4.749 -0.982 1.00 1.12 H new ATOM 0 HG SER A 24 10.877 -6.604 -1.506 1.00 2.09 H new ATOM 350 N SER A 25 6.953 -5.284 -0.086 1.00 1.05 N ATOM 351 CA SER A 25 6.258 -5.819 1.076 1.00 1.18 C ATOM 352 C SER A 25 4.766 -5.994 0.805 1.00 1.22 C ATOM 353 O SER A 25 4.128 -6.847 1.417 1.00 1.55 O ATOM 354 CB SER A 25 6.472 -4.912 2.288 1.00 1.21 C ATOM 355 OG SER A 25 6.072 -5.571 3.479 1.00 1.45 O ATOM 0 H SER A 25 7.320 -4.343 0.057 1.00 1.05 H new ATOM 0 HA SER A 25 6.677 -6.803 1.289 1.00 1.18 H new ATOM 0 HB2 SER A 25 7.522 -4.629 2.357 1.00 1.21 H new ATOM 0 HB3 SER A 25 5.902 -3.991 2.166 1.00 1.21 H new ATOM 0 HG SER A 25 6.065 -4.930 4.221 1.00 1.45 H new ATOM 361 N LEU A 26 4.180 -5.198 -0.085 1.00 0.99 N ATOM 362 CA LEU A 26 2.818 -5.458 -0.521 1.00 1.01 C ATOM 363 C LEU A 26 2.785 -6.719 -1.383 1.00 0.93 C ATOM 364 O LEU A 26 1.952 -7.597 -1.147 1.00 1.03 O ATOM 365 CB LEU A 26 2.238 -4.234 -1.232 1.00 0.96 C ATOM 366 CG LEU A 26 1.538 -3.257 -0.270 1.00 1.20 C ATOM 367 CD1 LEU A 26 0.152 -3.771 0.122 1.00 2.06 C ATOM 368 CD2 LEU A 26 2.293 -2.932 1.027 1.00 1.30 C ATOM 0 H LEU A 26 4.620 -4.382 -0.510 1.00 0.99 H new ATOM 0 HA LEU A 26 2.181 -5.640 0.345 1.00 1.01 H new ATOM 0 HB2 LEU A 26 3.039 -3.710 -1.754 1.00 0.96 H new ATOM 0 HB3 LEU A 26 1.526 -4.563 -1.989 1.00 0.96 H new ATOM 0 HG LEU A 26 1.489 -2.335 -0.849 1.00 1.20 H new ATOM 0 HD11 LEU A 26 -0.320 -3.062 0.802 1.00 2.06 H new ATOM 0 HD12 LEU A 26 -0.462 -3.880 -0.772 1.00 2.06 H new ATOM 0 HD13 LEU A 26 0.249 -4.738 0.616 1.00 2.06 H new ATOM 0 HD21 LEU A 26 1.706 -2.236 1.625 1.00 1.30 H new ATOM 0 HD22 LEU A 26 2.455 -3.849 1.593 1.00 1.30 H new ATOM 0 HD23 LEU A 26 3.255 -2.480 0.785 1.00 1.30 H new ATOM 380 N THR A 27 3.687 -6.845 -2.359 1.00 0.82 N ATOM 381 CA THR A 27 3.752 -8.028 -3.209 1.00 0.87 C ATOM 382 C THR A 27 4.275 -9.261 -2.448 1.00 1.05 C ATOM 383 O THR A 27 5.366 -9.749 -2.734 1.00 1.56 O ATOM 384 CB THR A 27 4.602 -7.710 -4.448 1.00 0.98 C ATOM 385 OG1 THR A 27 5.834 -7.142 -4.061 1.00 1.58 O ATOM 386 CG2 THR A 27 3.889 -6.710 -5.367 1.00 1.21 C ATOM 0 H THR A 27 4.386 -6.135 -2.578 1.00 0.82 H new ATOM 0 HA THR A 27 2.743 -8.287 -3.530 1.00 0.87 H new ATOM 0 HB THR A 27 4.762 -8.647 -4.981 1.00 0.98 H new ATOM 0 HG1 THR A 27 5.977 -7.292 -3.103 1.00 1.58 H new ATOM 0 HG21 THR A 27 4.515 -6.504 -6.235 1.00 1.21 H new ATOM 0 HG22 THR A 27 2.939 -7.131 -5.696 1.00 1.21 H new ATOM 0 HG23 THR A 27 3.706 -5.783 -4.824 1.00 1.21 H new ATOM 394 N LYS A 28 3.491 -9.781 -1.495 1.00 1.36 N ATOM 395 CA LYS A 28 3.813 -10.970 -0.700 1.00 1.42 C ATOM 396 C LYS A 28 2.600 -11.596 0.011 1.00 1.32 C ATOM 397 O LYS A 28 2.599 -12.801 0.235 1.00 1.38 O ATOM 398 CB LYS A 28 4.955 -10.688 0.297 1.00 1.59 C ATOM 399 CG LYS A 28 4.570 -9.673 1.383 1.00 2.28 C ATOM 400 CD LYS A 28 4.400 -10.284 2.787 1.00 3.33 C ATOM 401 CE LYS A 28 3.324 -9.577 3.631 1.00 4.57 C ATOM 402 NZ LYS A 28 3.449 -8.102 3.679 1.00 5.08 N ATOM 0 H LYS A 28 2.589 -9.373 -1.250 1.00 1.36 H new ATOM 0 HA LYS A 28 4.152 -11.716 -1.419 1.00 1.42 H new ATOM 0 HB2 LYS A 28 5.254 -11.623 0.771 1.00 1.59 H new ATOM 0 HB3 LYS A 28 5.822 -10.316 -0.249 1.00 1.59 H new ATOM 0 HG2 LYS A 28 5.334 -8.897 1.427 1.00 2.28 H new ATOM 0 HG3 LYS A 28 3.638 -9.186 1.096 1.00 2.28 H new ATOM 0 HD2 LYS A 28 4.140 -11.338 2.688 1.00 3.33 H new ATOM 0 HD3 LYS A 28 5.353 -10.239 3.314 1.00 3.33 H new ATOM 0 HE2 LYS A 28 2.342 -9.833 3.232 1.00 4.57 H new ATOM 0 HE3 LYS A 28 3.366 -9.965 4.649 1.00 4.57 H new ATOM 0 HZ1 LYS A 28 2.530 -7.684 3.928 1.00 5.08 H new ATOM 0 HZ2 LYS A 28 4.156 -7.837 4.395 1.00 5.08 H new ATOM 0 HZ3 LYS A 28 3.749 -7.749 2.748 1.00 5.08 H new ATOM 416 N HIS A 29 1.587 -10.806 0.404 1.00 1.36 N ATOM 417 CA HIS A 29 0.445 -11.290 1.180 1.00 1.47 C ATOM 418 C HIS A 29 -0.224 -12.523 0.556 1.00 1.86 C ATOM 419 O HIS A 29 -0.533 -13.476 1.264 1.00 3.97 O ATOM 420 CB HIS A 29 -0.592 -10.168 1.338 1.00 1.73 C ATOM 421 CG HIS A 29 -0.212 -9.092 2.327 1.00 1.30 C ATOM 422 ND1 HIS A 29 -0.674 -8.999 3.621 1.00 2.50 N ATOM 423 CD2 HIS A 29 0.668 -8.059 2.129 1.00 0.98 C ATOM 424 CE1 HIS A 29 -0.064 -7.951 4.197 1.00 3.22 C ATOM 425 NE2 HIS A 29 0.800 -7.374 3.342 1.00 2.34 N ATOM 0 H HIS A 29 1.542 -9.810 0.189 1.00 1.36 H new ATOM 0 HA HIS A 29 0.831 -11.592 2.154 1.00 1.47 H new ATOM 0 HB2 HIS A 29 -0.758 -9.706 0.365 1.00 1.73 H new ATOM 0 HB3 HIS A 29 -1.540 -10.609 1.648 1.00 1.73 H new ATOM 0 HD1 HIS A 29 -1.357 -9.615 4.062 1.00 2.50 H new ATOM 0 HD2 HIS A 29 1.169 -7.818 1.203 1.00 0.98 H new ATOM 0 HE1 HIS A 29 -0.242 -7.617 5.208 1.00 3.22 H new ATOM 433 N ARG A 30 -0.485 -12.444 -0.752 1.00 1.02 N ATOM 434 CA ARG A 30 -1.228 -13.359 -1.617 1.00 1.02 C ATOM 435 C ARG A 30 -2.041 -12.455 -2.534 1.00 1.38 C ATOM 436 O ARG A 30 -1.597 -12.121 -3.629 1.00 3.10 O ATOM 437 CB ARG A 30 -2.125 -14.381 -0.875 1.00 1.55 C ATOM 438 CG ARG A 30 -3.053 -15.173 -1.824 1.00 2.82 C ATOM 439 CD ARG A 30 -4.123 -15.967 -1.060 1.00 3.63 C ATOM 440 NE ARG A 30 -5.329 -16.213 -1.875 1.00 5.20 N ATOM 441 CZ ARG A 30 -5.479 -17.099 -2.869 1.00 5.68 C ATOM 442 NH1 ARG A 30 -4.443 -17.855 -3.252 1.00 4.99 N ATOM 443 NH2 ARG A 30 -6.667 -17.211 -3.465 1.00 7.43 N ATOM 0 H ARG A 30 -0.141 -11.647 -1.288 1.00 1.02 H new ATOM 0 HA ARG A 30 -0.533 -14.003 -2.156 1.00 1.02 H new ATOM 0 HB2 ARG A 30 -1.493 -15.080 -0.327 1.00 1.55 H new ATOM 0 HB3 ARG A 30 -2.732 -13.855 -0.138 1.00 1.55 H new ATOM 0 HG2 ARG A 30 -3.539 -14.483 -2.514 1.00 2.82 H new ATOM 0 HG3 ARG A 30 -2.455 -15.858 -2.426 1.00 2.82 H new ATOM 0 HD2 ARG A 30 -3.704 -16.921 -0.739 1.00 3.63 H new ATOM 0 HD3 ARG A 30 -4.402 -15.422 -0.158 1.00 3.63 H new ATOM 0 HE ARG A 30 -6.144 -15.641 -1.656 1.00 5.20 H new ATOM 0 HH11 ARG A 30 -3.540 -17.756 -2.787 1.00 4.99 H new ATOM 0 HH12 ARG A 30 -4.556 -18.530 -4.009 1.00 4.99 H new ATOM 0 HH21 ARG A 30 -7.446 -16.627 -3.163 1.00 7.43 H new ATOM 0 HH22 ARG A 30 -6.796 -17.881 -4.223 1.00 7.43 H new ATOM 457 N GLY A 31 -3.221 -12.037 -2.073 1.00 0.78 N ATOM 458 CA GLY A 31 -4.217 -11.412 -2.923 1.00 1.04 C ATOM 459 C GLY A 31 -3.966 -9.921 -3.080 1.00 0.68 C ATOM 460 O GLY A 31 -4.850 -9.115 -2.803 1.00 1.04 O ATOM 0 H GLY A 31 -3.506 -12.126 -1.098 1.00 0.78 H new ATOM 0 HA2 GLY A 31 -4.209 -11.888 -3.904 1.00 1.04 H new ATOM 0 HA3 GLY A 31 -5.209 -11.572 -2.500 1.00 1.04 H new ATOM 464 N ILE A 32 -2.753 -9.559 -3.498 1.00 0.91 N ATOM 465 CA ILE A 32 -2.449 -8.277 -4.092 1.00 0.77 C ATOM 466 C ILE A 32 -2.051 -8.575 -5.515 1.00 0.79 C ATOM 467 O ILE A 32 -1.130 -9.356 -5.750 1.00 0.95 O ATOM 468 CB ILE A 32 -1.345 -7.557 -3.319 1.00 0.76 C ATOM 469 CG1 ILE A 32 -2.059 -6.832 -2.183 1.00 1.46 C ATOM 470 CG2 ILE A 32 -0.576 -6.542 -4.184 1.00 1.71 C ATOM 471 CD1 ILE A 32 -1.073 -6.626 -1.050 1.00 2.88 C ATOM 0 H ILE A 32 -1.941 -10.172 -3.427 1.00 0.91 H new ATOM 0 HA ILE A 32 -3.304 -7.601 -4.062 1.00 0.77 H new ATOM 0 HB ILE A 32 -0.600 -8.272 -2.971 1.00 0.76 H new ATOM 0 HG12 ILE A 32 -2.445 -5.873 -2.529 1.00 1.46 H new ATOM 0 HG13 ILE A 32 -2.914 -7.414 -1.840 1.00 1.46 H new ATOM 0 HG21 ILE A 32 0.195 -6.062 -3.582 1.00 1.71 H new ATOM 0 HG22 ILE A 32 -0.112 -7.058 -5.024 1.00 1.71 H new ATOM 0 HG23 ILE A 32 -1.267 -5.787 -4.559 1.00 1.71 H new ATOM 0 HD11 ILE A 32 -1.567 -6.108 -0.228 1.00 2.88 H new ATOM 0 HD12 ILE A 32 -0.710 -7.593 -0.704 1.00 2.88 H new ATOM 0 HD13 ILE A 32 -0.233 -6.028 -1.403 1.00 2.88 H new ATOM 483 N LEU A 33 -2.744 -7.942 -6.453 1.00 0.79 N ATOM 484 CA LEU A 33 -2.450 -8.108 -7.851 1.00 0.86 C ATOM 485 C LEU A 33 -1.253 -7.239 -8.200 1.00 0.69 C ATOM 486 O LEU A 33 -0.346 -7.683 -8.899 1.00 0.73 O ATOM 487 CB LEU A 33 -3.680 -7.753 -8.696 1.00 1.12 C ATOM 488 CG LEU A 33 -4.918 -8.590 -8.344 1.00 1.22 C ATOM 489 CD1 LEU A 33 -6.138 -8.040 -9.088 1.00 1.98 C ATOM 490 CD2 LEU A 33 -4.717 -10.067 -8.705 1.00 1.95 C ATOM 0 H LEU A 33 -3.518 -7.306 -6.258 1.00 0.79 H new ATOM 0 HA LEU A 33 -2.203 -9.147 -8.068 1.00 0.86 H new ATOM 0 HB2 LEU A 33 -3.913 -6.697 -8.561 1.00 1.12 H new ATOM 0 HB3 LEU A 33 -3.442 -7.894 -9.750 1.00 1.12 H new ATOM 0 HG LEU A 33 -5.077 -8.524 -7.268 1.00 1.22 H new ATOM 0 HD11 LEU A 33 -7.016 -8.635 -8.837 1.00 1.98 H new ATOM 0 HD12 LEU A 33 -6.306 -7.004 -8.795 1.00 1.98 H new ATOM 0 HD13 LEU A 33 -5.961 -8.089 -10.162 1.00 1.98 H new ATOM 0 HD21 LEU A 33 -5.612 -10.631 -8.443 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -4.532 -10.158 -9.775 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -3.864 -10.463 -8.154 1.00 1.95 H new ATOM 502 N TYR A 34 -1.247 -5.993 -7.718 1.00 0.61 N ATOM 503 CA TYR A 34 -0.108 -5.114 -7.877 1.00 0.62 C ATOM 504 C TYR A 34 -0.166 -4.058 -6.783 1.00 0.56 C ATOM 505 O TYR A 34 -1.241 -3.782 -6.260 1.00 0.70 O ATOM 506 CB TYR A 34 -0.142 -4.489 -9.278 1.00 0.83 C ATOM 507 CG TYR A 34 1.094 -3.690 -9.627 1.00 1.07 C ATOM 508 CD1 TYR A 34 2.350 -4.324 -9.641 1.00 2.26 C ATOM 509 CD2 TYR A 34 0.995 -2.321 -9.933 1.00 1.64 C ATOM 510 CE1 TYR A 34 3.512 -3.573 -9.888 1.00 2.67 C ATOM 511 CE2 TYR A 34 2.154 -1.586 -10.229 1.00 1.78 C ATOM 512 CZ TYR A 34 3.417 -2.194 -10.129 1.00 1.92 C ATOM 513 OH TYR A 34 4.548 -1.454 -10.290 1.00 2.40 O ATOM 0 H TYR A 34 -2.029 -5.577 -7.212 1.00 0.61 H new ATOM 0 HA TYR A 34 0.830 -5.661 -7.784 1.00 0.62 H new ATOM 0 HB2 TYR A 34 -0.269 -5.282 -10.015 1.00 0.83 H new ATOM 0 HB3 TYR A 34 -1.015 -3.840 -9.354 1.00 0.83 H new ATOM 0 HD1 TYR A 34 2.421 -5.387 -9.462 1.00 2.26 H new ATOM 0 HD2 TYR A 34 0.030 -1.836 -9.940 1.00 1.64 H new ATOM 0 HE1 TYR A 34 4.477 -4.057 -9.892 1.00 2.67 H new ATOM 0 HE2 TYR A 34 2.075 -0.553 -10.534 1.00 1.78 H new ATOM 0 HH TYR A 34 4.481 -0.634 -9.757 1.00 2.40 H new ATOM 523 N CYS A 35 0.968 -3.448 -6.456 1.00 0.54 N ATOM 524 CA CYS A 35 1.026 -2.206 -5.704 1.00 0.53 C ATOM 525 C CYS A 35 1.909 -1.291 -6.530 1.00 0.60 C ATOM 526 O CYS A 35 2.846 -1.792 -7.150 1.00 0.96 O ATOM 527 CB CYS A 35 1.656 -2.443 -4.324 1.00 0.77 C ATOM 528 SG CYS A 35 2.045 -0.862 -3.530 1.00 2.28 S ATOM 0 H CYS A 35 1.886 -3.811 -6.712 1.00 0.54 H new ATOM 0 HA CYS A 35 0.035 -1.784 -5.534 1.00 0.53 H new ATOM 0 HB2 CYS A 35 0.971 -3.014 -3.697 1.00 0.77 H new ATOM 0 HB3 CYS A 35 2.563 -3.038 -4.428 1.00 0.77 H new ATOM 0 HG CYS A 35 1.111 0.001 -3.801 1.00 2.28 H new ATOM 534 N SER A 36 1.639 0.016 -6.544 1.00 0.48 N ATOM 535 CA SER A 36 2.724 0.947 -6.799 1.00 0.78 C ATOM 536 C SER A 36 2.572 2.177 -5.931 1.00 0.56 C ATOM 537 O SER A 36 1.450 2.536 -5.565 1.00 0.72 O ATOM 538 CB SER A 36 2.893 1.310 -8.278 1.00 1.29 C ATOM 539 OG SER A 36 4.114 0.779 -8.761 1.00 2.33 O ATOM 0 H SER A 36 0.721 0.433 -6.389 1.00 0.48 H new ATOM 0 HA SER A 36 3.647 0.435 -6.528 1.00 0.78 H new ATOM 0 HB2 SER A 36 2.059 0.915 -8.857 1.00 1.29 H new ATOM 0 HB3 SER A 36 2.882 2.393 -8.401 1.00 1.29 H new ATOM 0 HG SER A 36 4.856 1.123 -8.221 1.00 2.33 H new ATOM 545 N VAL A 37 3.712 2.779 -5.582 1.00 0.54 N ATOM 546 CA VAL A 37 3.773 3.717 -4.481 1.00 0.45 C ATOM 547 C VAL A 37 4.729 4.877 -4.755 1.00 0.77 C ATOM 548 O VAL A 37 5.943 4.709 -4.783 1.00 1.49 O ATOM 549 CB VAL A 37 4.054 2.900 -3.216 1.00 0.59 C ATOM 550 CG1 VAL A 37 5.430 2.225 -3.230 1.00 1.46 C ATOM 551 CG2 VAL A 37 3.879 3.725 -1.951 1.00 1.64 C ATOM 0 H VAL A 37 4.603 2.626 -6.054 1.00 0.54 H new ATOM 0 HA VAL A 37 2.826 4.238 -4.340 1.00 0.45 H new ATOM 0 HB VAL A 37 3.306 2.107 -3.212 1.00 0.59 H new ATOM 0 HG11 VAL A 37 5.568 1.662 -2.307 1.00 1.46 H new ATOM 0 HG12 VAL A 37 5.494 1.548 -4.081 1.00 1.46 H new ATOM 0 HG13 VAL A 37 6.207 2.985 -3.311 1.00 1.46 H new ATOM 0 HG21 VAL A 37 4.089 3.104 -1.080 1.00 1.64 H new ATOM 0 HG22 VAL A 37 4.568 4.569 -1.969 1.00 1.64 H new ATOM 0 HG23 VAL A 37 2.855 4.094 -1.896 1.00 1.64 H new ATOM 561 N ALA A 38 4.171 6.071 -4.978 1.00 0.50 N ATOM 562 CA ALA A 38 4.948 7.237 -5.369 1.00 0.62 C ATOM 563 C ALA A 38 5.238 8.132 -4.172 1.00 0.75 C ATOM 564 O ALA A 38 4.339 8.475 -3.403 1.00 0.80 O ATOM 565 CB ALA A 38 4.228 8.039 -6.446 1.00 0.75 C ATOM 0 H ALA A 38 3.171 6.250 -4.891 1.00 0.50 H new ATOM 0 HA ALA A 38 5.894 6.875 -5.772 1.00 0.62 H new ATOM 0 HB1 ALA A 38 4.831 8.905 -6.719 1.00 0.75 H new ATOM 0 HB2 ALA A 38 4.074 7.412 -7.324 1.00 0.75 H new ATOM 0 HB3 ALA A 38 3.263 8.375 -6.066 1.00 0.75 H new ATOM 571 N LEU A 39 6.495 8.565 -4.069 1.00 0.85 N ATOM 572 CA LEU A 39 6.938 9.512 -3.053 1.00 0.93 C ATOM 573 C LEU A 39 6.382 10.905 -3.345 1.00 0.96 C ATOM 574 O LEU A 39 6.041 11.633 -2.416 1.00 0.96 O ATOM 575 CB LEU A 39 8.469 9.479 -2.904 1.00 1.14 C ATOM 576 CG LEU A 39 9.263 9.998 -4.119 1.00 1.00 C ATOM 577 CD1 LEU A 39 9.616 11.484 -3.969 1.00 1.73 C ATOM 578 CD2 LEU A 39 10.570 9.207 -4.250 1.00 1.81 C ATOM 0 H LEU A 39 7.240 8.263 -4.697 1.00 0.85 H new ATOM 0 HA LEU A 39 6.537 9.217 -2.083 1.00 0.93 H new ATOM 0 HB2 LEU A 39 8.745 10.071 -2.031 1.00 1.14 H new ATOM 0 HB3 LEU A 39 8.775 8.453 -2.703 1.00 1.14 H new ATOM 0 HG LEU A 39 8.637 9.870 -5.002 1.00 1.00 H new ATOM 0 HD11 LEU A 39 10.175 11.815 -4.844 1.00 1.73 H new ATOM 0 HD12 LEU A 39 8.700 12.068 -3.881 1.00 1.73 H new ATOM 0 HD13 LEU A 39 10.224 11.625 -3.075 1.00 1.73 H new ATOM 0 HD21 LEU A 39 11.132 9.573 -5.109 1.00 1.81 H new ATOM 0 HD22 LEU A 39 11.165 9.335 -3.346 1.00 1.81 H new ATOM 0 HD23 LEU A 39 10.343 8.150 -4.389 1.00 1.81 H new ATOM 590 N ALA A 40 6.243 11.247 -4.632 1.00 1.05 N ATOM 591 CA ALA A 40 5.812 12.555 -5.117 1.00 1.20 C ATOM 592 C ALA A 40 4.607 13.110 -4.355 1.00 1.15 C ATOM 593 O ALA A 40 4.592 14.286 -4.006 1.00 1.37 O ATOM 594 CB ALA A 40 5.507 12.463 -6.615 1.00 1.33 C ATOM 0 H ALA A 40 6.436 10.592 -5.389 1.00 1.05 H new ATOM 0 HA ALA A 40 6.629 13.255 -4.942 1.00 1.20 H new ATOM 0 HB1 ALA A 40 5.185 13.438 -6.981 1.00 1.33 H new ATOM 0 HB2 ALA A 40 6.404 12.153 -7.151 1.00 1.33 H new ATOM 0 HB3 ALA A 40 4.715 11.733 -6.781 1.00 1.33 H new ATOM 600 N THR A 41 3.602 12.264 -4.102 1.00 0.96 N ATOM 601 CA THR A 41 2.443 12.617 -3.281 1.00 1.02 C ATOM 602 C THR A 41 2.283 11.634 -2.113 1.00 0.81 C ATOM 603 O THR A 41 1.211 11.504 -1.531 1.00 0.88 O ATOM 604 CB THR A 41 1.228 12.803 -4.201 1.00 1.32 C ATOM 605 OG1 THR A 41 0.236 13.600 -3.589 1.00 2.53 O ATOM 606 CG2 THR A 41 0.604 11.497 -4.694 1.00 1.58 C ATOM 0 H THR A 41 3.572 11.311 -4.464 1.00 0.96 H new ATOM 0 HA THR A 41 2.574 13.575 -2.778 1.00 1.02 H new ATOM 0 HB THR A 41 1.623 13.312 -5.080 1.00 1.32 H new ATOM 0 HG1 THR A 41 -0.524 13.702 -4.199 1.00 2.53 H new ATOM 0 HG21 THR A 41 -0.247 11.720 -5.337 1.00 1.58 H new ATOM 0 HG22 THR A 41 1.345 10.929 -5.257 1.00 1.58 H new ATOM 0 HG23 THR A 41 0.269 10.909 -3.840 1.00 1.58 H new ATOM 614 N ASN A 42 3.392 10.968 -1.763 1.00 0.76 N ATOM 615 CA ASN A 42 3.544 10.023 -0.657 1.00 0.70 C ATOM 616 C ASN A 42 2.325 9.099 -0.592 1.00 0.63 C ATOM 617 O ASN A 42 1.597 9.065 0.397 1.00 0.65 O ATOM 618 CB ASN A 42 3.844 10.785 0.654 1.00 0.82 C ATOM 619 CG ASN A 42 5.290 10.625 1.130 1.00 1.62 C ATOM 620 OD1 ASN A 42 5.529 10.193 2.256 1.00 3.23 O ATOM 621 ND2 ASN A 42 6.274 10.987 0.312 1.00 1.74 N ATOM 0 H ASN A 42 4.262 11.086 -2.282 1.00 0.76 H new ATOM 0 HA ASN A 42 4.403 9.372 -0.820 1.00 0.70 H new ATOM 0 HB2 ASN A 42 3.632 11.844 0.507 1.00 0.82 H new ATOM 0 HB3 ASN A 42 3.171 10.431 1.434 1.00 0.82 H new ATOM 0 HD21 ASN A 42 7.245 10.908 0.616 1.00 1.74 H new ATOM 0 HD22 ASN A 42 6.058 11.343 -0.619 1.00 1.74 H new ATOM 628 N LYS A 43 2.070 8.368 -1.682 1.00 0.67 N ATOM 629 CA LYS A 43 0.805 7.672 -1.871 1.00 0.62 C ATOM 630 C LYS A 43 0.996 6.358 -2.615 1.00 0.50 C ATOM 631 O LYS A 43 1.709 6.303 -3.617 1.00 0.68 O ATOM 632 CB LYS A 43 -0.172 8.606 -2.591 1.00 0.99 C ATOM 633 CG LYS A 43 -1.572 8.011 -2.790 1.00 1.82 C ATOM 634 CD LYS A 43 -1.758 7.392 -4.181 1.00 1.47 C ATOM 635 CE LYS A 43 -1.765 8.460 -5.288 1.00 1.32 C ATOM 636 NZ LYS A 43 -2.585 8.026 -6.438 1.00 1.63 N ATOM 0 H LYS A 43 2.732 8.246 -2.449 1.00 0.67 H new ATOM 0 HA LYS A 43 0.387 7.409 -0.899 1.00 0.62 H new ATOM 0 HB2 LYS A 43 -0.259 9.532 -2.022 1.00 0.99 H new ATOM 0 HB3 LYS A 43 0.242 8.868 -3.565 1.00 0.99 H new ATOM 0 HG2 LYS A 43 -1.750 7.249 -2.031 1.00 1.82 H new ATOM 0 HG3 LYS A 43 -2.319 8.791 -2.641 1.00 1.82 H new ATOM 0 HD2 LYS A 43 -0.957 6.678 -4.371 1.00 1.47 H new ATOM 0 HD3 LYS A 43 -2.694 6.835 -4.208 1.00 1.47 H new ATOM 0 HE2 LYS A 43 -2.156 9.397 -4.891 1.00 1.32 H new ATOM 0 HE3 LYS A 43 -0.744 8.654 -5.617 1.00 1.32 H new ATOM 0 HZ1 LYS A 43 -2.728 8.828 -7.085 1.00 1.63 H new ATOM 0 HZ2 LYS A 43 -2.098 7.257 -6.941 1.00 1.63 H new ATOM 0 HZ3 LYS A 43 -3.508 7.687 -6.098 1.00 1.63 H new ATOM 650 N ALA A 44 0.315 5.320 -2.122 1.00 0.47 N ATOM 651 CA ALA A 44 0.284 3.982 -2.680 1.00 0.52 C ATOM 652 C ALA A 44 -1.090 3.727 -3.277 1.00 0.61 C ATOM 653 O ALA A 44 -2.083 4.158 -2.687 1.00 0.94 O ATOM 654 CB ALA A 44 0.584 2.966 -1.574 1.00 0.54 C ATOM 0 H ALA A 44 -0.255 5.403 -1.281 1.00 0.47 H new ATOM 0 HA ALA A 44 1.036 3.882 -3.462 1.00 0.52 H new ATOM 0 HB1 ALA A 44 0.562 1.959 -1.990 1.00 0.54 H new ATOM 0 HB2 ALA A 44 1.571 3.164 -1.156 1.00 0.54 H new ATOM 0 HB3 ALA A 44 -0.167 3.051 -0.788 1.00 0.54 H new ATOM 660 N HIS A 45 -1.150 3.008 -4.406 1.00 0.42 N ATOM 661 CA HIS A 45 -2.328 2.247 -4.760 1.00 0.48 C ATOM 662 C HIS A 45 -1.966 0.786 -4.540 1.00 0.44 C ATOM 663 O HIS A 45 -0.845 0.385 -4.862 1.00 0.66 O ATOM 664 CB HIS A 45 -2.789 2.542 -6.192 1.00 0.85 C ATOM 665 CG HIS A 45 -2.092 1.779 -7.291 1.00 1.02 C ATOM 666 ND1 HIS A 45 -1.470 2.339 -8.382 1.00 1.90 N ATOM 667 CD2 HIS A 45 -2.152 0.424 -7.498 1.00 1.47 C ATOM 668 CE1 HIS A 45 -1.153 1.338 -9.220 1.00 2.87 C ATOM 669 NE2 HIS A 45 -1.544 0.154 -8.727 1.00 2.63 N ATOM 0 H HIS A 45 -0.389 2.945 -5.082 1.00 0.42 H new ATOM 0 HA HIS A 45 -3.182 2.522 -4.141 1.00 0.48 H new ATOM 0 HB2 HIS A 45 -3.857 2.335 -6.257 1.00 0.85 H new ATOM 0 HB3 HIS A 45 -2.659 3.608 -6.380 1.00 0.85 H new ATOM 0 HD1 HIS A 45 -1.284 3.331 -8.528 1.00 1.90 H new ATOM 0 HD2 HIS A 45 -2.590 -0.303 -6.831 1.00 1.47 H new ATOM 0 HE1 HIS A 45 -0.649 1.470 -10.166 1.00 2.87 H new ATOM 677 N ILE A 46 -2.907 0.011 -4.006 1.00 0.39 N ATOM 678 CA ILE A 46 -2.799 -1.423 -3.828 1.00 0.38 C ATOM 679 C ILE A 46 -3.993 -2.022 -4.574 1.00 0.43 C ATOM 680 O ILE A 46 -5.138 -1.803 -4.172 1.00 0.67 O ATOM 681 CB ILE A 46 -2.817 -1.782 -2.329 1.00 0.44 C ATOM 682 CG1 ILE A 46 -1.589 -1.308 -1.533 1.00 0.54 C ATOM 683 CG2 ILE A 46 -2.828 -3.307 -2.195 1.00 0.68 C ATOM 684 CD1 ILE A 46 -1.376 0.201 -1.452 1.00 1.29 C ATOM 0 H ILE A 46 -3.796 0.385 -3.675 1.00 0.39 H new ATOM 0 HA ILE A 46 -1.862 -1.818 -4.220 1.00 0.38 H new ATOM 0 HB ILE A 46 -3.698 -1.283 -1.926 1.00 0.44 H new ATOM 0 HG12 ILE A 46 -1.668 -1.697 -0.518 1.00 0.54 H new ATOM 0 HG13 ILE A 46 -0.700 -1.756 -1.977 1.00 0.54 H new ATOM 0 HG21 ILE A 46 -2.841 -3.579 -1.140 1.00 0.68 H new ATOM 0 HG22 ILE A 46 -3.715 -3.709 -2.684 1.00 0.68 H new ATOM 0 HG23 ILE A 46 -1.936 -3.720 -2.666 1.00 0.68 H new ATOM 0 HD11 ILE A 46 -0.481 0.411 -0.866 1.00 1.29 H new ATOM 0 HD12 ILE A 46 -1.256 0.606 -2.457 1.00 1.29 H new ATOM 0 HD13 ILE A 46 -2.239 0.665 -0.975 1.00 1.29 H new ATOM 696 N LYS A 47 -3.730 -2.746 -5.667 1.00 0.48 N ATOM 697 CA LYS A 47 -4.722 -3.511 -6.397 1.00 0.54 C ATOM 698 C LYS A 47 -4.819 -4.873 -5.720 1.00 0.55 C ATOM 699 O LYS A 47 -3.790 -5.540 -5.600 1.00 0.61 O ATOM 700 CB LYS A 47 -4.304 -3.683 -7.861 1.00 0.57 C ATOM 701 CG LYS A 47 -3.842 -2.382 -8.528 1.00 0.68 C ATOM 702 CD LYS A 47 -3.986 -2.572 -10.044 1.00 0.89 C ATOM 703 CE LYS A 47 -3.479 -1.352 -10.819 1.00 2.14 C ATOM 704 NZ LYS A 47 -3.725 -1.483 -12.269 1.00 2.94 N ATOM 0 H LYS A 47 -2.796 -2.812 -6.071 1.00 0.48 H new ATOM 0 HA LYS A 47 -5.683 -2.997 -6.389 1.00 0.54 H new ATOM 0 HB2 LYS A 47 -3.498 -4.415 -7.916 1.00 0.57 H new ATOM 0 HB3 LYS A 47 -5.144 -4.091 -8.424 1.00 0.57 H new ATOM 0 HG2 LYS A 47 -4.444 -1.540 -8.187 1.00 0.68 H new ATOM 0 HG3 LYS A 47 -2.808 -2.161 -8.265 1.00 0.68 H new ATOM 0 HD2 LYS A 47 -3.430 -3.457 -10.354 1.00 0.89 H new ATOM 0 HD3 LYS A 47 -5.033 -2.750 -10.291 1.00 0.89 H new ATOM 0 HE2 LYS A 47 -3.972 -0.454 -10.446 1.00 2.14 H new ATOM 0 HE3 LYS A 47 -2.411 -1.227 -10.641 1.00 2.14 H new ATOM 0 HZ1 LYS A 47 -3.368 -0.638 -12.759 1.00 2.94 H new ATOM 0 HZ2 LYS A 47 -3.234 -2.326 -12.630 1.00 2.94 H new ATOM 0 HZ3 LYS A 47 -4.746 -1.577 -12.441 1.00 2.94 H new ATOM 718 N TYR A 48 -6.001 -5.281 -5.255 1.00 0.98 N ATOM 719 CA TYR A 48 -6.111 -6.453 -4.402 1.00 0.89 C ATOM 720 C TYR A 48 -7.372 -7.276 -4.620 1.00 0.84 C ATOM 721 O TYR A 48 -8.340 -6.818 -5.227 1.00 1.12 O ATOM 722 CB TYR A 48 -5.913 -6.052 -2.934 1.00 0.93 C ATOM 723 CG TYR A 48 -7.045 -5.317 -2.239 1.00 0.95 C ATOM 724 CD1 TYR A 48 -8.148 -6.058 -1.770 1.00 2.11 C ATOM 725 CD2 TYR A 48 -6.835 -4.015 -1.748 1.00 1.82 C ATOM 726 CE1 TYR A 48 -8.997 -5.532 -0.787 1.00 2.22 C ATOM 727 CE2 TYR A 48 -7.669 -3.498 -0.741 1.00 1.80 C ATOM 728 CZ TYR A 48 -8.746 -4.257 -0.257 1.00 1.14 C ATOM 729 OH TYR A 48 -9.519 -3.772 0.755 1.00 1.46 O ATOM 0 H TYR A 48 -6.887 -4.817 -5.456 1.00 0.98 H new ATOM 0 HA TYR A 48 -5.308 -7.130 -4.693 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -5.704 -6.958 -2.365 1.00 0.93 H new ATOM 0 HB3 TYR A 48 -5.022 -5.426 -2.876 1.00 0.93 H new ATOM 0 HD1 TYR A 48 -8.341 -7.042 -2.172 1.00 2.11 H new ATOM 0 HD2 TYR A 48 -6.032 -3.412 -2.145 1.00 1.82 H new ATOM 0 HE1 TYR A 48 -9.842 -6.106 -0.438 1.00 2.22 H new ATOM 0 HE2 TYR A 48 -7.480 -2.514 -0.339 1.00 1.80 H new ATOM 0 HH TYR A 48 -9.208 -2.876 1.004 1.00 1.46 H new ATOM 739 N ASP A 49 -7.322 -8.502 -4.092 1.00 0.59 N ATOM 740 CA ASP A 49 -8.343 -9.526 -4.217 1.00 0.64 C ATOM 741 C ASP A 49 -9.188 -9.525 -2.937 1.00 0.71 C ATOM 742 O ASP A 49 -8.684 -9.878 -1.867 1.00 0.68 O ATOM 743 CB ASP A 49 -7.680 -10.894 -4.423 1.00 0.72 C ATOM 744 CG ASP A 49 -6.786 -10.925 -5.652 1.00 1.66 C ATOM 745 OD1 ASP A 49 -5.609 -10.528 -5.508 1.00 2.75 O ATOM 746 OD2 ASP A 49 -7.301 -11.341 -6.710 1.00 2.49 O ATOM 0 H ASP A 49 -6.524 -8.815 -3.539 1.00 0.59 H new ATOM 0 HA ASP A 49 -8.982 -9.323 -5.076 1.00 0.64 H new ATOM 0 HB2 ASP A 49 -7.090 -11.145 -3.542 1.00 0.72 H new ATOM 0 HB3 ASP A 49 -8.452 -11.658 -4.519 1.00 0.72 H new ATOM 751 N PRO A 50 -10.466 -9.127 -2.999 1.00 0.97 N ATOM 752 CA PRO A 50 -11.274 -8.925 -1.807 1.00 1.18 C ATOM 753 C PRO A 50 -11.683 -10.226 -1.102 1.00 1.29 C ATOM 754 O PRO A 50 -12.380 -10.158 -0.093 1.00 1.81 O ATOM 755 CB PRO A 50 -12.481 -8.104 -2.276 1.00 1.58 C ATOM 756 CG PRO A 50 -12.633 -8.503 -3.744 1.00 1.54 C ATOM 757 CD PRO A 50 -11.188 -8.714 -4.191 1.00 1.16 C ATOM 0 HA PRO A 50 -10.700 -8.406 -1.039 1.00 1.18 H new ATOM 0 HB2 PRO A 50 -13.376 -8.341 -1.701 1.00 1.58 H new ATOM 0 HB3 PRO A 50 -12.306 -7.034 -2.167 1.00 1.58 H new ATOM 0 HG2 PRO A 50 -13.227 -9.410 -3.857 1.00 1.54 H new ATOM 0 HG3 PRO A 50 -13.126 -7.724 -4.325 1.00 1.54 H new ATOM 0 HD2 PRO A 50 -11.126 -9.474 -4.970 1.00 1.16 H new ATOM 0 HD3 PRO A 50 -10.768 -7.797 -4.606 1.00 1.16 H new ATOM 765 N GLU A 51 -11.252 -11.401 -1.578 1.00 1.40 N ATOM 766 CA GLU A 51 -11.462 -12.648 -0.857 1.00 1.49 C ATOM 767 C GLU A 51 -10.738 -12.643 0.498 1.00 1.02 C ATOM 768 O GLU A 51 -11.203 -13.281 1.441 1.00 1.62 O ATOM 769 CB GLU A 51 -11.025 -13.855 -1.711 1.00 2.01 C ATOM 770 CG GLU A 51 -9.585 -13.739 -2.247 1.00 3.00 C ATOM 771 CD GLU A 51 -8.924 -15.087 -2.534 1.00 4.31 C ATOM 772 OE1 GLU A 51 -9.512 -15.917 -3.258 1.00 4.26 O ATOM 773 OE2 GLU A 51 -7.788 -15.295 -2.053 1.00 5.84 O ATOM 0 H GLU A 51 -10.755 -11.507 -2.462 1.00 1.40 H new ATOM 0 HA GLU A 51 -12.530 -12.740 -0.658 1.00 1.49 H new ATOM 0 HB2 GLU A 51 -11.110 -14.763 -1.113 1.00 2.01 H new ATOM 0 HB3 GLU A 51 -11.710 -13.962 -2.552 1.00 2.01 H new ATOM 0 HG2 GLU A 51 -9.594 -13.147 -3.162 1.00 3.00 H new ATOM 0 HG3 GLU A 51 -8.980 -13.195 -1.522 1.00 3.00 H new ATOM 780 N ILE A 52 -9.586 -11.966 0.581 1.00 0.78 N ATOM 781 CA ILE A 52 -8.604 -12.189 1.633 1.00 1.08 C ATOM 782 C ILE A 52 -8.286 -10.910 2.399 1.00 1.19 C ATOM 783 O ILE A 52 -8.418 -10.842 3.628 1.00 1.60 O ATOM 784 CB ILE A 52 -7.374 -12.900 1.025 1.00 1.44 C ATOM 785 CG1 ILE A 52 -6.347 -13.318 2.090 1.00 2.41 C ATOM 786 CG2 ILE A 52 -6.690 -12.200 -0.162 1.00 3.47 C ATOM 787 CD1 ILE A 52 -5.261 -12.288 2.412 1.00 3.15 C ATOM 0 H ILE A 52 -9.314 -11.245 -0.087 1.00 0.78 H new ATOM 0 HA ILE A 52 -9.015 -12.851 2.396 1.00 1.08 H new ATOM 0 HB ILE A 52 -7.815 -13.795 0.587 1.00 1.44 H new ATOM 0 HG12 ILE A 52 -6.882 -13.553 3.010 1.00 2.41 H new ATOM 0 HG13 ILE A 52 -5.863 -14.237 1.759 1.00 2.41 H new ATOM 0 HG21 ILE A 52 -5.842 -12.798 -0.498 1.00 3.47 H new ATOM 0 HG22 ILE A 52 -7.403 -12.090 -0.979 1.00 3.47 H new ATOM 0 HG23 ILE A 52 -6.340 -11.216 0.149 1.00 3.47 H new ATOM 0 HD11 ILE A 52 -4.594 -12.689 3.175 1.00 3.15 H new ATOM 0 HD12 ILE A 52 -4.690 -12.067 1.510 1.00 3.15 H new ATOM 0 HD13 ILE A 52 -5.725 -11.373 2.781 1.00 3.15 H new ATOM 799 N ILE A 53 -7.800 -9.908 1.677 1.00 1.05 N ATOM 800 CA ILE A 53 -7.095 -8.797 2.280 1.00 1.11 C ATOM 801 C ILE A 53 -8.032 -7.602 2.407 1.00 1.04 C ATOM 802 O ILE A 53 -8.987 -7.470 1.645 1.00 1.02 O ATOM 803 CB ILE A 53 -5.819 -8.537 1.467 1.00 1.20 C ATOM 804 CG1 ILE A 53 -4.763 -7.821 2.309 1.00 1.21 C ATOM 805 CG2 ILE A 53 -6.098 -7.809 0.154 1.00 1.35 C ATOM 806 CD1 ILE A 53 -3.398 -7.879 1.637 1.00 1.78 C ATOM 0 H ILE A 53 -7.886 -9.848 0.662 1.00 1.05 H new ATOM 0 HA ILE A 53 -6.775 -9.017 3.299 1.00 1.11 H new ATOM 0 HB ILE A 53 -5.414 -9.510 1.190 1.00 1.20 H new ATOM 0 HG12 ILE A 53 -5.055 -6.781 2.458 1.00 1.21 H new ATOM 0 HG13 ILE A 53 -4.706 -8.281 3.296 1.00 1.21 H new ATOM 0 HG21 ILE A 53 -5.161 -7.651 -0.381 1.00 1.35 H new ATOM 0 HG22 ILE A 53 -6.769 -8.410 -0.460 1.00 1.35 H new ATOM 0 HG23 ILE A 53 -6.563 -6.846 0.364 1.00 1.35 H new ATOM 0 HD11 ILE A 53 -2.665 -7.362 2.257 1.00 1.78 H new ATOM 0 HD12 ILE A 53 -3.098 -8.919 1.512 1.00 1.78 H new ATOM 0 HD13 ILE A 53 -3.452 -7.397 0.661 1.00 1.78 H new ATOM 818 N GLY A 54 -7.779 -6.754 3.399 1.00 1.09 N ATOM 819 CA GLY A 54 -8.523 -5.536 3.635 1.00 1.10 C ATOM 820 C GLY A 54 -7.545 -4.377 3.791 1.00 1.05 C ATOM 821 O GLY A 54 -6.334 -4.557 3.656 1.00 1.05 O ATOM 0 H GLY A 54 -7.030 -6.905 4.075 1.00 1.09 H new ATOM 0 HA2 GLY A 54 -9.204 -5.345 2.806 1.00 1.10 H new ATOM 0 HA3 GLY A 54 -9.134 -5.636 4.532 1.00 1.10 H new ATOM 825 N PRO A 55 -8.048 -3.184 4.134 1.00 1.08 N ATOM 826 CA PRO A 55 -7.198 -2.082 4.543 1.00 1.05 C ATOM 827 C PRO A 55 -6.334 -2.507 5.735 1.00 0.83 C ATOM 828 O PRO A 55 -5.155 -2.176 5.787 1.00 0.79 O ATOM 829 CB PRO A 55 -8.151 -0.929 4.875 1.00 1.24 C ATOM 830 CG PRO A 55 -9.480 -1.615 5.190 1.00 1.24 C ATOM 831 CD PRO A 55 -9.456 -2.848 4.288 1.00 1.20 C ATOM 0 HA PRO A 55 -6.497 -1.772 3.768 1.00 1.05 H new ATOM 0 HB2 PRO A 55 -7.792 -0.349 5.725 1.00 1.24 H new ATOM 0 HB3 PRO A 55 -8.248 -0.240 4.036 1.00 1.24 H new ATOM 0 HG2 PRO A 55 -9.553 -1.887 6.243 1.00 1.24 H new ATOM 0 HG3 PRO A 55 -10.330 -0.969 4.968 1.00 1.24 H new ATOM 0 HD2 PRO A 55 -10.011 -3.673 4.735 1.00 1.20 H new ATOM 0 HD3 PRO A 55 -9.918 -2.639 3.323 1.00 1.20 H new ATOM 839 N ARG A 56 -6.913 -3.255 6.682 1.00 0.76 N ATOM 840 CA ARG A 56 -6.253 -3.684 7.909 1.00 0.71 C ATOM 841 C ARG A 56 -4.847 -4.268 7.677 1.00 0.72 C ATOM 842 O ARG A 56 -3.879 -3.782 8.259 1.00 0.70 O ATOM 843 CB ARG A 56 -7.188 -4.599 8.726 1.00 0.78 C ATOM 844 CG ARG A 56 -7.696 -5.860 7.993 1.00 2.46 C ATOM 845 CD ARG A 56 -7.247 -7.163 8.680 1.00 3.69 C ATOM 846 NE ARG A 56 -7.092 -8.284 7.734 1.00 5.73 N ATOM 847 CZ ARG A 56 -7.999 -8.853 6.925 1.00 6.99 C ATOM 848 NH1 ARG A 56 -9.302 -8.626 7.108 1.00 6.60 N ATOM 849 NH2 ARG A 56 -7.561 -9.650 5.944 1.00 8.98 N ATOM 0 H ARG A 56 -7.876 -3.583 6.609 1.00 0.76 H new ATOM 0 HA ARG A 56 -6.062 -2.797 8.514 1.00 0.71 H new ATOM 0 HB2 ARG A 56 -6.663 -4.912 9.628 1.00 0.78 H new ATOM 0 HB3 ARG A 56 -8.051 -4.014 9.046 1.00 0.78 H new ATOM 0 HG2 ARG A 56 -8.785 -5.835 7.945 1.00 2.46 H new ATOM 0 HG3 ARG A 56 -7.332 -5.851 6.966 1.00 2.46 H new ATOM 0 HD2 ARG A 56 -6.300 -6.991 9.191 1.00 3.69 H new ATOM 0 HD3 ARG A 56 -7.976 -7.436 9.443 1.00 3.69 H new ATOM 0 HE ARG A 56 -6.156 -8.687 7.688 1.00 5.73 H new ATOM 0 HH11 ARG A 56 -9.612 -8.018 7.866 1.00 6.60 H new ATOM 0 HH12 ARG A 56 -9.987 -9.061 6.490 1.00 6.60 H new ATOM 0 HH21 ARG A 56 -6.561 -9.812 5.826 1.00 8.98 H new ATOM 0 HH22 ARG A 56 -8.227 -10.096 5.314 1.00 8.98 H new ATOM 863 N ASP A 57 -4.708 -5.295 6.830 1.00 0.79 N ATOM 864 CA ASP A 57 -3.441 -5.999 6.633 1.00 0.84 C ATOM 865 C ASP A 57 -2.384 -5.027 6.119 1.00 0.83 C ATOM 866 O ASP A 57 -1.261 -4.967 6.624 1.00 0.81 O ATOM 867 CB ASP A 57 -3.598 -7.148 5.621 1.00 1.00 C ATOM 868 CG ASP A 57 -4.942 -7.840 5.707 1.00 1.42 C ATOM 869 OD1 ASP A 57 -5.936 -7.191 5.316 1.00 2.71 O ATOM 870 OD2 ASP A 57 -5.018 -8.982 6.207 1.00 2.19 O ATOM 0 H ASP A 57 -5.473 -5.660 6.263 1.00 0.79 H new ATOM 0 HA ASP A 57 -3.134 -6.414 7.593 1.00 0.84 H new ATOM 0 HB2 ASP A 57 -3.462 -6.756 4.613 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -2.808 -7.881 5.788 1.00 1.00 H new ATOM 875 N ILE A 58 -2.767 -4.277 5.084 1.00 0.86 N ATOM 876 CA ILE A 58 -1.926 -3.280 4.448 1.00 0.86 C ATOM 877 C ILE A 58 -1.475 -2.280 5.506 1.00 0.81 C ATOM 878 O ILE A 58 -0.288 -1.995 5.643 1.00 0.83 O ATOM 879 CB ILE A 58 -2.711 -2.572 3.331 1.00 0.89 C ATOM 880 CG1 ILE A 58 -3.138 -3.564 2.237 1.00 0.86 C ATOM 881 CG2 ILE A 58 -1.868 -1.419 2.765 1.00 0.95 C ATOM 882 CD1 ILE A 58 -4.196 -2.943 1.323 1.00 1.62 C ATOM 0 H ILE A 58 -3.692 -4.353 4.661 1.00 0.86 H new ATOM 0 HA ILE A 58 -1.052 -3.753 4.001 1.00 0.86 H new ATOM 0 HB ILE A 58 -3.628 -2.155 3.746 1.00 0.89 H new ATOM 0 HG12 ILE A 58 -2.270 -3.858 1.648 1.00 0.86 H new ATOM 0 HG13 ILE A 58 -3.534 -4.470 2.696 1.00 0.86 H new ATOM 0 HG21 ILE A 58 -2.424 -0.917 1.973 1.00 0.95 H new ATOM 0 HG22 ILE A 58 -1.645 -0.707 3.560 1.00 0.95 H new ATOM 0 HG23 ILE A 58 -0.936 -1.814 2.360 1.00 0.95 H new ATOM 0 HD11 ILE A 58 -4.483 -3.663 0.557 1.00 1.62 H new ATOM 0 HD12 ILE A 58 -5.072 -2.672 1.912 1.00 1.62 H new ATOM 0 HD13 ILE A 58 -3.788 -2.051 0.848 1.00 1.62 H new ATOM 894 N ILE A 59 -2.433 -1.741 6.256 1.00 0.77 N ATOM 895 CA ILE A 59 -2.157 -0.737 7.259 1.00 0.74 C ATOM 896 C ILE A 59 -1.140 -1.281 8.259 1.00 0.70 C ATOM 897 O ILE A 59 -0.101 -0.655 8.459 1.00 0.73 O ATOM 898 CB ILE A 59 -3.469 -0.243 7.888 1.00 0.73 C ATOM 899 CG1 ILE A 59 -4.175 0.694 6.892 1.00 0.74 C ATOM 900 CG2 ILE A 59 -3.260 0.438 9.251 1.00 0.72 C ATOM 901 CD1 ILE A 59 -5.644 0.877 7.255 1.00 0.77 C ATOM 0 H ILE A 59 -3.418 -1.993 6.180 1.00 0.77 H new ATOM 0 HA ILE A 59 -1.699 0.145 6.811 1.00 0.74 H new ATOM 0 HB ILE A 59 -4.099 -1.109 8.090 1.00 0.73 H new ATOM 0 HG12 ILE A 59 -3.676 1.663 6.884 1.00 0.74 H new ATOM 0 HG13 ILE A 59 -4.095 0.286 5.885 1.00 0.74 H new ATOM 0 HG21 ILE A 59 -4.222 0.766 9.645 1.00 0.72 H new ATOM 0 HG22 ILE A 59 -2.805 -0.269 9.945 1.00 0.72 H new ATOM 0 HG23 ILE A 59 -2.605 1.301 9.130 1.00 0.72 H new ATOM 0 HD11 ILE A 59 -6.117 1.544 6.534 1.00 0.77 H new ATOM 0 HD12 ILE A 59 -6.146 -0.090 7.238 1.00 0.77 H new ATOM 0 HD13 ILE A 59 -5.721 1.309 8.253 1.00 0.77 H new ATOM 913 N HIS A 60 -1.410 -2.462 8.828 1.00 0.65 N ATOM 914 CA HIS A 60 -0.548 -3.095 9.823 1.00 0.60 C ATOM 915 C HIS A 60 0.852 -3.285 9.240 1.00 0.67 C ATOM 916 O HIS A 60 1.872 -3.030 9.879 1.00 0.69 O ATOM 917 CB HIS A 60 -1.128 -4.452 10.249 1.00 0.67 C ATOM 918 CG HIS A 60 -2.513 -4.417 10.849 1.00 0.99 C ATOM 919 ND1 HIS A 60 -3.344 -5.506 10.981 1.00 2.72 N ATOM 920 CD2 HIS A 60 -3.184 -3.327 11.341 1.00 1.59 C ATOM 921 CE1 HIS A 60 -4.488 -5.079 11.540 1.00 2.79 C ATOM 922 NE2 HIS A 60 -4.444 -3.759 11.772 1.00 1.79 N ATOM 0 H HIS A 60 -2.243 -3.008 8.606 1.00 0.65 H new ATOM 0 HA HIS A 60 -0.490 -2.452 10.702 1.00 0.60 H new ATOM 0 HB2 HIS A 60 -1.147 -5.107 9.378 1.00 0.67 H new ATOM 0 HB3 HIS A 60 -0.450 -4.904 10.973 1.00 0.67 H new ATOM 0 HD2 HIS A 60 -2.808 -2.316 11.388 1.00 1.59 H new ATOM 0 HE1 HIS A 60 -5.331 -5.714 11.772 1.00 2.79 H new ATOM 0 HE2 HIS A 60 -5.181 -3.185 12.181 1.00 1.79 H new ATOM 930 N THR A 61 0.899 -3.726 7.985 1.00 0.74 N ATOM 931 CA THR A 61 2.162 -3.895 7.292 1.00 0.85 C ATOM 932 C THR A 61 2.914 -2.560 7.232 1.00 0.89 C ATOM 933 O THR A 61 4.086 -2.484 7.593 1.00 0.95 O ATOM 934 CB THR A 61 1.889 -4.497 5.908 1.00 0.99 C ATOM 935 OG1 THR A 61 1.325 -5.779 6.077 1.00 1.03 O ATOM 936 CG2 THR A 61 3.153 -4.632 5.054 1.00 1.16 C ATOM 0 H THR A 61 0.077 -3.971 7.433 1.00 0.74 H new ATOM 0 HA THR A 61 2.811 -4.586 7.831 1.00 0.85 H new ATOM 0 HB THR A 61 1.212 -3.819 5.387 1.00 0.99 H new ATOM 0 HG1 THR A 61 0.372 -5.692 6.288 1.00 1.03 H new ATOM 0 HG21 THR A 61 2.894 -5.064 4.087 1.00 1.16 H new ATOM 0 HG22 THR A 61 3.598 -3.648 4.905 1.00 1.16 H new ATOM 0 HG23 THR A 61 3.867 -5.280 5.561 1.00 1.16 H new ATOM 944 N ILE A 62 2.264 -1.507 6.743 1.00 0.84 N ATOM 945 CA ILE A 62 2.931 -0.253 6.435 1.00 0.81 C ATOM 946 C ILE A 62 3.339 0.503 7.706 1.00 0.85 C ATOM 947 O ILE A 62 4.424 1.089 7.746 1.00 0.91 O ATOM 948 CB ILE A 62 2.086 0.550 5.438 1.00 0.72 C ATOM 949 CG1 ILE A 62 2.036 -0.218 4.100 1.00 0.77 C ATOM 950 CG2 ILE A 62 2.695 1.940 5.226 1.00 0.72 C ATOM 951 CD1 ILE A 62 1.152 0.482 3.070 1.00 1.11 C ATOM 0 H ILE A 62 1.262 -1.503 6.551 1.00 0.84 H new ATOM 0 HA ILE A 62 3.880 -0.449 5.937 1.00 0.81 H new ATOM 0 HB ILE A 62 1.077 0.676 5.829 1.00 0.72 H new ATOM 0 HG12 ILE A 62 3.046 -0.319 3.702 1.00 0.77 H new ATOM 0 HG13 ILE A 62 1.660 -1.226 4.275 1.00 0.77 H new ATOM 0 HG21 ILE A 62 2.086 2.500 4.516 1.00 0.72 H new ATOM 0 HG22 ILE A 62 2.726 2.472 6.177 1.00 0.72 H new ATOM 0 HG23 ILE A 62 3.707 1.838 4.834 1.00 0.72 H new ATOM 0 HD11 ILE A 62 1.146 -0.093 2.144 1.00 1.11 H new ATOM 0 HD12 ILE A 62 0.135 0.559 3.456 1.00 1.11 H new ATOM 0 HD13 ILE A 62 1.543 1.481 2.874 1.00 1.11 H new ATOM 963 N GLU A 63 2.509 0.476 8.753 1.00 0.83 N ATOM 964 CA GLU A 63 2.935 1.010 10.040 1.00 0.90 C ATOM 965 C GLU A 63 4.161 0.242 10.536 1.00 0.84 C ATOM 966 O GLU A 63 5.168 0.846 10.893 1.00 0.84 O ATOM 967 CB GLU A 63 1.774 1.086 11.036 1.00 1.14 C ATOM 968 CG GLU A 63 1.078 -0.225 11.422 1.00 1.56 C ATOM 969 CD GLU A 63 1.724 -1.001 12.566 1.00 3.14 C ATOM 970 OE1 GLU A 63 2.756 -0.526 13.084 1.00 4.17 O ATOM 971 OE2 GLU A 63 1.154 -2.061 12.903 1.00 4.02 O ATOM 0 H GLU A 63 1.562 0.099 8.733 1.00 0.83 H new ATOM 0 HA GLU A 63 3.250 2.047 9.924 1.00 0.90 H new ATOM 0 HB2 GLU A 63 2.146 1.550 11.950 1.00 1.14 H new ATOM 0 HB3 GLU A 63 1.021 1.756 10.622 1.00 1.14 H new ATOM 0 HG2 GLU A 63 0.047 -0.002 11.695 1.00 1.56 H new ATOM 0 HG3 GLU A 63 1.043 -0.869 10.544 1.00 1.56 H new ATOM 978 N SER A 64 4.111 -1.089 10.442 1.00 0.83 N ATOM 979 CA SER A 64 5.247 -1.932 10.795 1.00 0.82 C ATOM 980 C SER A 64 6.496 -1.607 9.957 1.00 0.75 C ATOM 981 O SER A 64 7.603 -1.690 10.484 1.00 0.83 O ATOM 982 CB SER A 64 4.869 -3.416 10.722 1.00 0.92 C ATOM 983 OG SER A 64 5.906 -4.225 11.251 1.00 1.84 O ATOM 0 H SER A 64 3.291 -1.604 10.123 1.00 0.83 H new ATOM 0 HA SER A 64 5.512 -1.711 11.829 1.00 0.82 H new ATOM 0 HB2 SER A 64 3.947 -3.589 11.277 1.00 0.92 H new ATOM 0 HB3 SER A 64 4.675 -3.696 9.687 1.00 0.92 H new ATOM 0 HG SER A 64 5.645 -5.168 11.197 1.00 1.84 H new ATOM 989 N LEU A 65 6.357 -1.273 8.665 1.00 0.69 N ATOM 990 CA LEU A 65 7.485 -0.774 7.871 1.00 0.72 C ATOM 991 C LEU A 65 7.982 0.559 8.435 1.00 0.77 C ATOM 992 O LEU A 65 9.188 0.758 8.570 1.00 1.08 O ATOM 993 CB LEU A 65 7.113 -0.583 6.392 1.00 0.78 C ATOM 994 CG LEU A 65 6.810 -1.866 5.608 1.00 0.83 C ATOM 995 CD1 LEU A 65 6.396 -1.472 4.186 1.00 1.07 C ATOM 996 CD2 LEU A 65 8.016 -2.811 5.541 1.00 1.00 C ATOM 0 H LEU A 65 5.478 -1.340 8.152 1.00 0.69 H new ATOM 0 HA LEU A 65 8.272 -1.526 7.931 1.00 0.72 H new ATOM 0 HB2 LEU A 65 6.240 0.068 6.338 1.00 0.78 H new ATOM 0 HB3 LEU A 65 7.931 -0.061 5.896 1.00 0.78 H new ATOM 0 HG LEU A 65 6.011 -2.400 6.123 1.00 0.83 H new ATOM 0 HD11 LEU A 65 6.175 -2.370 3.609 1.00 1.07 H new ATOM 0 HD12 LEU A 65 5.509 -0.840 4.227 1.00 1.07 H new ATOM 0 HD13 LEU A 65 7.209 -0.925 3.709 1.00 1.07 H new ATOM 0 HD21 LEU A 65 7.748 -3.703 4.975 1.00 1.00 H new ATOM 0 HD22 LEU A 65 8.847 -2.306 5.049 1.00 1.00 H new ATOM 0 HD23 LEU A 65 8.311 -3.097 6.551 1.00 1.00 H new ATOM 1008 N GLY A 66 7.053 1.472 8.735 1.00 0.73 N ATOM 1009 CA GLY A 66 7.335 2.756 9.361 1.00 0.77 C ATOM 1010 C GLY A 66 6.885 3.926 8.490 1.00 0.76 C ATOM 1011 O GLY A 66 7.624 4.897 8.342 1.00 0.87 O ATOM 0 H GLY A 66 6.062 1.330 8.542 1.00 0.73 H new ATOM 0 HA2 GLY A 66 6.831 2.807 10.326 1.00 0.77 H new ATOM 0 HA3 GLY A 66 8.404 2.838 9.555 1.00 0.77 H new ATOM 1015 N PHE A 67 5.663 3.859 7.952 1.00 0.68 N ATOM 1016 CA PHE A 67 5.010 4.982 7.284 1.00 0.67 C ATOM 1017 C PHE A 67 3.571 5.040 7.794 1.00 0.72 C ATOM 1018 O PHE A 67 3.104 4.054 8.355 1.00 0.79 O ATOM 1019 CB PHE A 67 5.045 4.784 5.762 1.00 0.60 C ATOM 1020 CG PHE A 67 6.393 4.382 5.196 1.00 0.56 C ATOM 1021 CD1 PHE A 67 7.397 5.351 5.030 1.00 2.05 C ATOM 1022 CD2 PHE A 67 6.671 3.033 4.899 1.00 1.70 C ATOM 1023 CE1 PHE A 67 8.657 4.986 4.531 1.00 2.02 C ATOM 1024 CE2 PHE A 67 7.922 2.672 4.369 1.00 1.73 C ATOM 1025 CZ PHE A 67 8.914 3.649 4.181 1.00 0.57 C ATOM 0 H PHE A 67 5.095 3.012 7.970 1.00 0.68 H new ATOM 0 HA PHE A 67 5.524 5.918 7.502 1.00 0.67 H new ATOM 0 HB2 PHE A 67 4.314 4.022 5.494 1.00 0.60 H new ATOM 0 HB3 PHE A 67 4.729 5.711 5.283 1.00 0.60 H new ATOM 0 HD1 PHE A 67 7.198 6.381 5.287 1.00 2.05 H new ATOM 0 HD2 PHE A 67 5.922 2.276 5.079 1.00 1.70 H new ATOM 0 HE1 PHE A 67 9.429 5.732 4.416 1.00 2.02 H new ATOM 0 HE2 PHE A 67 8.121 1.643 4.106 1.00 1.73 H new ATOM 0 HZ PHE A 67 9.873 3.373 3.768 1.00 0.57 H new ATOM 1035 N GLU A 68 2.859 6.156 7.602 1.00 0.74 N ATOM 1036 CA GLU A 68 1.478 6.310 8.035 1.00 0.78 C ATOM 1037 C GLU A 68 0.528 6.038 6.857 1.00 0.64 C ATOM 1038 O GLU A 68 0.411 6.908 5.996 1.00 0.64 O ATOM 1039 CB GLU A 68 1.270 7.754 8.496 1.00 0.95 C ATOM 1040 CG GLU A 68 2.256 8.290 9.543 1.00 1.58 C ATOM 1041 CD GLU A 68 2.058 9.791 9.713 1.00 2.28 C ATOM 1042 OE1 GLU A 68 0.943 10.270 9.398 1.00 2.49 O ATOM 1043 OE2 GLU A 68 3.038 10.499 10.041 1.00 3.34 O ATOM 0 H GLU A 68 3.235 6.982 7.136 1.00 0.74 H new ATOM 0 HA GLU A 68 1.271 5.609 8.844 1.00 0.78 H new ATOM 0 HB2 GLU A 68 1.318 8.401 7.620 1.00 0.95 H new ATOM 0 HB3 GLU A 68 0.262 7.840 8.902 1.00 0.95 H new ATOM 0 HG2 GLU A 68 2.102 7.783 10.495 1.00 1.58 H new ATOM 0 HG3 GLU A 68 3.280 8.081 9.233 1.00 1.58 H new ATOM 1050 N PRO A 69 -0.147 4.877 6.770 1.00 0.62 N ATOM 1051 CA PRO A 69 -1.015 4.540 5.648 1.00 0.56 C ATOM 1052 C PRO A 69 -2.406 5.163 5.815 1.00 0.61 C ATOM 1053 O PRO A 69 -3.378 4.486 6.148 1.00 0.90 O ATOM 1054 CB PRO A 69 -1.057 3.012 5.632 1.00 0.62 C ATOM 1055 CG PRO A 69 -0.930 2.658 7.108 1.00 0.72 C ATOM 1056 CD PRO A 69 -0.032 3.750 7.678 1.00 0.73 C ATOM 0 HA PRO A 69 -0.645 4.935 4.702 1.00 0.56 H new ATOM 0 HB2 PRO A 69 -1.987 2.637 5.204 1.00 0.62 H new ATOM 0 HB3 PRO A 69 -0.242 2.591 5.043 1.00 0.62 H new ATOM 0 HG2 PRO A 69 -1.903 2.645 7.600 1.00 0.72 H new ATOM 0 HG3 PRO A 69 -0.491 1.670 7.244 1.00 0.72 H new ATOM 0 HD2 PRO A 69 -0.345 4.027 8.685 1.00 0.73 H new ATOM 0 HD3 PRO A 69 1.001 3.409 7.748 1.00 0.73 H new ATOM 1064 N SER A 70 -2.517 6.460 5.542 1.00 0.78 N ATOM 1065 CA SER A 70 -3.766 7.188 5.671 1.00 0.84 C ATOM 1066 C SER A 70 -4.655 6.898 4.458 1.00 0.73 C ATOM 1067 O SER A 70 -4.463 7.480 3.390 1.00 0.70 O ATOM 1068 CB SER A 70 -3.456 8.679 5.817 1.00 0.97 C ATOM 1069 OG SER A 70 -2.637 8.868 6.956 1.00 1.83 O ATOM 0 H SER A 70 -1.736 7.034 5.224 1.00 0.78 H new ATOM 0 HA SER A 70 -4.312 6.867 6.559 1.00 0.84 H new ATOM 0 HB2 SER A 70 -2.951 9.048 4.924 1.00 0.97 H new ATOM 0 HB3 SER A 70 -4.380 9.248 5.919 1.00 0.97 H new ATOM 0 HG SER A 70 -2.432 9.821 7.057 1.00 1.83 H new ATOM 1075 N LEU A 71 -5.623 5.990 4.617 1.00 0.81 N ATOM 1076 CA LEU A 71 -6.553 5.543 3.581 1.00 0.83 C ATOM 1077 C LEU A 71 -7.547 6.617 3.107 1.00 0.80 C ATOM 1078 O LEU A 71 -8.761 6.424 3.149 1.00 1.24 O ATOM 1079 CB LEU A 71 -7.228 4.221 3.999 1.00 1.20 C ATOM 1080 CG LEU A 71 -8.192 4.244 5.207 1.00 1.35 C ATOM 1081 CD1 LEU A 71 -8.908 2.891 5.275 1.00 1.59 C ATOM 1082 CD2 LEU A 71 -7.496 4.506 6.551 1.00 2.85 C ATOM 0 H LEU A 71 -5.785 5.528 5.512 1.00 0.81 H new ATOM 0 HA LEU A 71 -5.958 5.348 2.689 1.00 0.83 H new ATOM 0 HB2 LEU A 71 -7.781 3.843 3.139 1.00 1.20 H new ATOM 0 HB3 LEU A 71 -6.441 3.499 4.215 1.00 1.20 H new ATOM 0 HG LEU A 71 -8.885 5.071 5.050 1.00 1.35 H new ATOM 0 HD11 LEU A 71 -9.594 2.885 6.122 1.00 1.59 H new ATOM 0 HD12 LEU A 71 -9.467 2.728 4.353 1.00 1.59 H new ATOM 0 HD13 LEU A 71 -8.173 2.096 5.398 1.00 1.59 H new ATOM 0 HD21 LEU A 71 -8.237 4.507 7.350 1.00 2.85 H new ATOM 0 HD22 LEU A 71 -6.761 3.723 6.739 1.00 2.85 H new ATOM 0 HD23 LEU A 71 -6.995 5.474 6.519 1.00 2.85 H new ATOM 1094 N VAL A 72 -7.052 7.737 2.575 1.00 1.05 N ATOM 1095 CA VAL A 72 -7.883 8.800 2.016 1.00 1.11 C ATOM 1096 C VAL A 72 -8.353 8.396 0.610 1.00 1.09 C ATOM 1097 O VAL A 72 -8.031 9.044 -0.383 1.00 2.22 O ATOM 1098 CB VAL A 72 -7.123 10.142 2.038 1.00 1.69 C ATOM 1099 CG1 VAL A 72 -8.055 11.320 1.712 1.00 2.51 C ATOM 1100 CG2 VAL A 72 -6.498 10.423 3.412 1.00 2.48 C ATOM 0 H VAL A 72 -6.052 7.931 2.521 1.00 1.05 H new ATOM 0 HA VAL A 72 -8.774 8.942 2.627 1.00 1.11 H new ATOM 0 HB VAL A 72 -6.342 10.052 1.283 1.00 1.69 H new ATOM 0 HG11 VAL A 72 -7.488 12.250 1.736 1.00 2.51 H new ATOM 0 HG12 VAL A 72 -8.483 11.181 0.719 1.00 2.51 H new ATOM 0 HG13 VAL A 72 -8.856 11.365 2.449 1.00 2.51 H new ATOM 0 HG21 VAL A 72 -5.972 11.377 3.384 1.00 2.48 H new ATOM 0 HG22 VAL A 72 -7.283 10.463 4.167 1.00 2.48 H new ATOM 0 HG23 VAL A 72 -5.795 9.628 3.661 1.00 2.48 H new