USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -160:sc= -0.19 (180deg=-1.51) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= -3.89! (180deg=-4.29!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.818 F(o=-2.2,f=-0.82) USER MOD Single : A 23 THR OG1 : rot -150:sc= -0.261 USER MOD Single : A 38 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.3) USER MOD Single : A 41 MET CE :methyl 159:sc= -0.504 (180deg=-1.27) USER MOD Single : A 44 GLN : amide:sc=-0.00319 K(o=-0.0032,f=-1.5) USER MOD Single : A 45 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.3) USER MOD Single : A 49 HIS : no HD1:sc=-0.00246 X(o=-0.0025,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.42! C(o=-1.4!,f=-9.1!) USER MOD Single : A 60 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.82 F(o=-2.8!,f=-1.8) USER MOD Single : A 75 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 77 SER OG : rot -170:sc= 0.0123 USER MOD Single : A 79 SER OG : rot 49:sc= 1.18 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 15:sc= 0.584 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.930 -16.268 -20.977 1.00 0.00 N ATOM 2 CA GLY A 1 10.094 -16.440 -19.804 1.00 0.00 C ATOM 3 C GLY A 1 9.592 -15.121 -19.251 1.00 0.00 C ATOM 4 O GLY A 1 9.697 -14.862 -18.052 1.00 0.00 O ATOM 0 H1 GLY A 1 11.247 -17.198 -21.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.385 -15.794 -21.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.758 -15.688 -20.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.243 -17.071 -20.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.659 -16.962 -19.032 1.00 0.00 H new ATOM 8 N SER A 2 9.047 -14.283 -20.126 1.00 0.00 N ATOM 9 CA SER A 2 8.532 -12.981 -19.720 1.00 0.00 C ATOM 10 C SER A 2 7.688 -13.101 -18.455 1.00 0.00 C ATOM 11 O SER A 2 6.685 -13.814 -18.430 1.00 0.00 O ATOM 12 CB SER A 2 7.699 -12.364 -20.845 1.00 0.00 C ATOM 13 OG SER A 2 8.491 -12.130 -21.997 1.00 0.00 O ATOM 0 H SER A 2 8.951 -14.483 -21.122 1.00 0.00 H new ATOM 0 HA SER A 2 9.382 -12.332 -19.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.873 -13.029 -21.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.261 -11.426 -20.505 1.00 0.00 H new ATOM 0 HG SER A 2 7.935 -11.737 -22.702 1.00 0.00 H new ATOM 19 N SER A 3 8.102 -12.398 -17.406 1.00 0.00 N ATOM 20 CA SER A 3 7.388 -12.428 -16.135 1.00 0.00 C ATOM 21 C SER A 3 5.880 -12.489 -16.360 1.00 0.00 C ATOM 22 O SER A 3 5.356 -11.886 -17.296 1.00 0.00 O ATOM 23 CB SER A 3 7.740 -11.196 -15.298 1.00 0.00 C ATOM 24 OG SER A 3 7.137 -10.029 -15.830 1.00 0.00 O ATOM 0 H SER A 3 8.929 -11.800 -17.411 1.00 0.00 H new ATOM 0 HA SER A 3 7.695 -13.325 -15.596 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.409 -11.344 -14.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.822 -11.069 -15.269 1.00 0.00 H new ATOM 0 HG SER A 3 7.376 -9.256 -15.277 1.00 0.00 H new ATOM 30 N GLY A 4 5.188 -13.224 -15.495 1.00 0.00 N ATOM 31 CA GLY A 4 3.747 -13.352 -15.616 1.00 0.00 C ATOM 32 C GLY A 4 3.002 -12.369 -14.736 1.00 0.00 C ATOM 33 O GLY A 4 3.477 -12.004 -13.660 1.00 0.00 O ATOM 0 H GLY A 4 5.599 -13.733 -14.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.458 -13.196 -16.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.452 -14.367 -15.352 1.00 0.00 H new ATOM 37 N SER A 5 1.831 -11.937 -15.193 1.00 0.00 N ATOM 38 CA SER A 5 1.021 -10.986 -14.441 1.00 0.00 C ATOM 39 C SER A 5 0.735 -11.506 -13.036 1.00 0.00 C ATOM 40 O SER A 5 -0.020 -12.462 -12.857 1.00 0.00 O ATOM 41 CB SER A 5 -0.295 -10.714 -15.174 1.00 0.00 C ATOM 42 OG SER A 5 -0.058 -10.245 -16.490 1.00 0.00 O ATOM 0 H SER A 5 1.422 -12.230 -16.080 1.00 0.00 H new ATOM 0 HA SER A 5 1.582 -10.055 -14.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.889 -11.627 -15.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.877 -9.977 -14.621 1.00 0.00 H new ATOM 0 HG SER A 5 -0.914 -10.080 -16.938 1.00 0.00 H new ATOM 48 N SER A 6 1.345 -10.870 -12.041 1.00 0.00 N ATOM 49 CA SER A 6 1.161 -11.270 -10.651 1.00 0.00 C ATOM 50 C SER A 6 0.845 -10.061 -9.775 1.00 0.00 C ATOM 51 O SER A 6 1.738 -9.303 -9.399 1.00 0.00 O ATOM 52 CB SER A 6 2.414 -11.978 -10.131 1.00 0.00 C ATOM 53 OG SER A 6 2.502 -13.297 -10.639 1.00 0.00 O ATOM 0 H SER A 6 1.971 -10.075 -12.172 1.00 0.00 H new ATOM 0 HA SER A 6 0.318 -11.960 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.301 -11.414 -10.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.394 -12.005 -9.042 1.00 0.00 H new ATOM 0 HG SER A 6 3.312 -13.727 -10.293 1.00 0.00 H new ATOM 59 N GLY A 7 -0.434 -9.888 -9.454 1.00 0.00 N ATOM 60 CA GLY A 7 -0.846 -8.771 -8.625 1.00 0.00 C ATOM 61 C GLY A 7 -0.810 -7.451 -9.371 1.00 0.00 C ATOM 62 O GLY A 7 -1.096 -7.400 -10.568 1.00 0.00 O ATOM 0 H GLY A 7 -1.192 -10.502 -9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.856 -8.949 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.195 -8.710 -7.753 1.00 0.00 H new ATOM 66 N ARG A 8 -0.461 -6.382 -8.664 1.00 0.00 N ATOM 67 CA ARG A 8 -0.393 -5.056 -9.266 1.00 0.00 C ATOM 68 C ARG A 8 0.927 -4.371 -8.922 1.00 0.00 C ATOM 69 O ARG A 8 1.033 -3.679 -7.910 1.00 0.00 O ATOM 70 CB ARG A 8 -1.565 -4.196 -8.792 1.00 0.00 C ATOM 71 CG ARG A 8 -1.487 -2.751 -9.255 1.00 0.00 C ATOM 72 CD ARG A 8 -2.690 -1.949 -8.783 1.00 0.00 C ATOM 73 NE ARG A 8 -2.737 -0.623 -9.394 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.776 0.198 -9.289 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.848 -0.168 -8.599 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.744 1.389 -9.873 1.00 0.00 N ATOM 0 H ARG A 8 -0.221 -6.408 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.452 -5.172 -10.348 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.495 -4.634 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.604 -4.218 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.573 -2.295 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.431 -2.719 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.604 -2.492 -9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.655 -1.847 -7.698 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.928 -0.310 -9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.876 -1.082 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.644 0.465 -8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.921 1.675 -10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.542 2.019 -9.792 1.00 0.00 H new ATOM 90 N MET A 9 1.929 -4.568 -9.772 1.00 0.00 N ATOM 91 CA MET A 9 3.241 -3.968 -9.559 1.00 0.00 C ATOM 92 C MET A 9 3.188 -2.457 -9.763 1.00 0.00 C ATOM 93 O MET A 9 3.079 -1.977 -10.891 1.00 0.00 O ATOM 94 CB MET A 9 4.269 -4.587 -10.508 1.00 0.00 C ATOM 95 CG MET A 9 4.522 -6.063 -10.251 1.00 0.00 C ATOM 96 SD MET A 9 6.095 -6.627 -10.928 1.00 0.00 S ATOM 97 CE MET A 9 6.694 -7.650 -9.585 1.00 0.00 C ATOM 0 H MET A 9 1.858 -5.138 -10.615 1.00 0.00 H new ATOM 0 HA MET A 9 3.541 -4.167 -8.530 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.927 -4.459 -11.535 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.210 -4.044 -10.416 1.00 0.00 H new ATOM 0 HG2 MET A 9 4.506 -6.249 -9.177 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.712 -6.648 -10.688 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.772 -7.780 -9.680 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.469 -7.169 -8.633 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.206 -8.624 -9.624 1.00 0.00 H new ATOM 107 N VAL A 10 3.264 -1.713 -8.664 1.00 0.00 N ATOM 108 CA VAL A 10 3.226 -0.257 -8.723 1.00 0.00 C ATOM 109 C VAL A 10 4.627 0.335 -8.615 1.00 0.00 C ATOM 110 O VAL A 10 5.389 -0.009 -7.714 1.00 0.00 O ATOM 111 CB VAL A 10 2.346 0.327 -7.602 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.403 1.847 -7.615 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.912 -0.162 -7.741 1.00 0.00 C ATOM 0 H VAL A 10 3.352 -2.095 -7.722 1.00 0.00 H new ATOM 0 HA VAL A 10 2.796 0.009 -9.689 1.00 0.00 H new ATOM 0 HB VAL A 10 2.732 -0.019 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.775 2.241 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.432 2.174 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.043 2.216 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.304 0.260 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.512 0.153 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.891 -1.250 -7.677 1.00 0.00 H new ATOM 123 N GLY A 11 4.959 1.229 -9.542 1.00 0.00 N ATOM 124 CA GLY A 11 6.268 1.856 -9.533 1.00 0.00 C ATOM 125 C GLY A 11 6.239 3.250 -8.941 1.00 0.00 C ATOM 126 O GLY A 11 5.321 4.027 -9.209 1.00 0.00 O ATOM 0 H GLY A 11 4.345 1.530 -10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.960 1.237 -8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.651 1.905 -10.552 1.00 0.00 H new ATOM 130 N ILE A 12 7.244 3.569 -8.132 1.00 0.00 N ATOM 131 CA ILE A 12 7.329 4.880 -7.500 1.00 0.00 C ATOM 132 C ILE A 12 8.765 5.393 -7.490 1.00 0.00 C ATOM 133 O ILE A 12 9.697 4.654 -7.170 1.00 0.00 O ATOM 134 CB ILE A 12 6.799 4.844 -6.055 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.474 4.081 -5.994 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.628 6.257 -5.518 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.142 3.555 -4.615 1.00 0.00 C ATOM 0 H ILE A 12 8.010 2.938 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 12 6.708 5.555 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 12 7.525 4.324 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.670 4.738 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.513 3.246 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.253 6.215 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.590 6.770 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.919 6.800 -6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.190 3.025 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.926 2.872 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.070 4.388 -3.915 1.00 0.00 H new ATOM 149 N ARG A 13 8.937 6.663 -7.841 1.00 0.00 N ATOM 150 CA ARG A 13 10.260 7.276 -7.871 1.00 0.00 C ATOM 151 C ARG A 13 10.522 8.066 -6.593 1.00 0.00 C ATOM 152 O ARG A 13 10.854 9.251 -6.639 1.00 0.00 O ATOM 153 CB ARG A 13 10.392 8.194 -9.087 1.00 0.00 C ATOM 154 CG ARG A 13 9.355 9.305 -9.127 1.00 0.00 C ATOM 155 CD ARG A 13 9.805 10.455 -10.014 1.00 0.00 C ATOM 156 NE ARG A 13 8.747 11.444 -10.207 1.00 0.00 N ATOM 157 CZ ARG A 13 7.760 11.301 -11.084 1.00 0.00 C ATOM 158 NH1 ARG A 13 7.695 10.217 -11.844 1.00 0.00 N ATOM 159 NH2 ARG A 13 6.834 12.245 -11.202 1.00 0.00 N ATOM 0 H ARG A 13 8.177 7.288 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 13 11.001 6.480 -7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.388 8.638 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.306 7.596 -9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.409 8.908 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.174 9.672 -8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.675 10.937 -9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.118 10.065 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 13 8.768 12.290 -9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.404 9.489 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.936 10.110 -12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.880 13.081 -10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.076 12.135 -11.876 1.00 0.00 H new ATOM 173 N LYS A 14 10.371 7.402 -5.451 1.00 0.00 N ATOM 174 CA LYS A 14 10.592 8.041 -4.159 1.00 0.00 C ATOM 175 C LYS A 14 12.083 8.148 -3.854 1.00 0.00 C ATOM 176 O LYS A 14 12.913 7.547 -4.537 1.00 0.00 O ATOM 177 CB LYS A 14 9.889 7.254 -3.051 1.00 0.00 C ATOM 178 CG LYS A 14 10.559 5.930 -2.726 1.00 0.00 C ATOM 179 CD LYS A 14 9.585 4.955 -2.086 1.00 0.00 C ATOM 180 CE LYS A 14 9.220 5.379 -0.672 1.00 0.00 C ATOM 181 NZ LYS A 14 8.852 4.214 0.180 1.00 0.00 N ATOM 0 H LYS A 14 10.096 6.421 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 14 10.174 9.047 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.854 7.865 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.857 7.066 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.966 5.493 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.399 6.102 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.682 4.891 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.027 3.959 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.062 5.906 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.387 6.081 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.481 4.553 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.124 3.648 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.694 3.626 0.347 1.00 0.00 H new ATOM 195 N THR A 15 12.417 8.916 -2.821 1.00 0.00 N ATOM 196 CA THR A 15 13.807 9.101 -2.424 1.00 0.00 C ATOM 197 C THR A 15 14.105 8.385 -1.112 1.00 0.00 C ATOM 198 O THR A 15 13.248 8.299 -0.233 1.00 0.00 O ATOM 199 CB THR A 15 14.153 10.594 -2.271 1.00 0.00 C ATOM 200 OG1 THR A 15 13.606 11.339 -3.365 1.00 0.00 O ATOM 201 CG2 THR A 15 15.659 10.798 -2.215 1.00 0.00 C ATOM 0 H THR A 15 11.743 9.420 -2.244 1.00 0.00 H new ATOM 0 HA THR A 15 14.421 8.672 -3.216 1.00 0.00 H new ATOM 0 HB THR A 15 13.719 10.950 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.829 12.287 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.879 11.860 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.068 10.254 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.111 10.426 -3.134 1.00 0.00 H new ATOM 209 N ALA A 16 15.324 7.871 -0.987 1.00 0.00 N ATOM 210 CA ALA A 16 15.735 7.164 0.219 1.00 0.00 C ATOM 211 C ALA A 16 15.400 7.971 1.469 1.00 0.00 C ATOM 212 O ALA A 16 15.454 9.200 1.460 1.00 0.00 O ATOM 213 CB ALA A 16 17.225 6.859 0.170 1.00 0.00 C ATOM 0 H ALA A 16 16.044 7.931 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 16 15.184 6.225 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.518 6.331 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.441 6.236 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.785 7.791 0.096 1.00 0.00 H new ATOM 219 N GLY A 17 15.052 7.270 2.544 1.00 0.00 N ATOM 220 CA GLY A 17 14.712 7.938 3.787 1.00 0.00 C ATOM 221 C GLY A 17 13.338 8.577 3.744 1.00 0.00 C ATOM 222 O GLY A 17 13.069 9.533 4.471 1.00 0.00 O ATOM 0 H GLY A 17 14.999 6.252 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.749 7.218 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.459 8.703 4.001 1.00 0.00 H new ATOM 226 N GLU A 18 12.467 8.049 2.889 1.00 0.00 N ATOM 227 CA GLU A 18 11.115 8.577 2.753 1.00 0.00 C ATOM 228 C GLU A 18 10.147 7.836 3.670 1.00 0.00 C ATOM 229 O GLU A 18 10.499 6.821 4.273 1.00 0.00 O ATOM 230 CB GLU A 18 10.644 8.468 1.302 1.00 0.00 C ATOM 231 CG GLU A 18 10.988 9.684 0.457 1.00 0.00 C ATOM 232 CD GLU A 18 10.100 10.875 0.761 1.00 0.00 C ATOM 233 OE1 GLU A 18 10.119 11.349 1.916 1.00 0.00 O ATOM 234 OE2 GLU A 18 9.386 11.333 -0.156 1.00 0.00 O ATOM 0 H GLU A 18 12.674 7.257 2.281 1.00 0.00 H new ATOM 0 HA GLU A 18 11.132 9.627 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.091 7.583 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.564 8.321 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.029 9.958 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.896 9.427 -0.598 1.00 0.00 H new ATOM 241 N HIS A 19 8.925 8.350 3.772 1.00 0.00 N ATOM 242 CA HIS A 19 7.905 7.738 4.616 1.00 0.00 C ATOM 243 C HIS A 19 6.544 7.763 3.927 1.00 0.00 C ATOM 244 O HIS A 19 6.064 8.820 3.517 1.00 0.00 O ATOM 245 CB HIS A 19 7.824 8.461 5.960 1.00 0.00 C ATOM 246 CG HIS A 19 9.160 8.852 6.512 1.00 0.00 C ATOM 247 ND1 HIS A 19 10.084 9.729 6.055 1.00 0.00 N flip ATOM 248 CD2 HIS A 19 9.680 8.319 7.673 1.00 0.00 C flip ATOM 249 CE1 HIS A 19 11.135 9.710 6.939 1.00 0.00 C flip ATOM 250 NE2 HIS A 19 10.866 8.852 7.907 1.00 0.00 N flip ATOM 0 H HIS A 19 8.617 9.189 3.280 1.00 0.00 H new ATOM 0 HA HIS A 19 8.186 6.699 4.788 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.212 9.355 5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.317 7.818 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.194 7.581 8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.035 10.301 6.856 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.471 8.638 8.700 1.00 0.00 H new ATOM 259 N LEU A 20 5.927 6.593 3.804 1.00 0.00 N ATOM 260 CA LEU A 20 4.621 6.480 3.164 1.00 0.00 C ATOM 261 C LEU A 20 3.524 7.042 4.063 1.00 0.00 C ATOM 262 O LEU A 20 2.616 7.728 3.597 1.00 0.00 O ATOM 263 CB LEU A 20 4.321 5.019 2.826 1.00 0.00 C ATOM 264 CG LEU A 20 4.762 4.546 1.440 1.00 0.00 C ATOM 265 CD1 LEU A 20 3.990 5.280 0.355 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.260 4.747 1.260 1.00 0.00 C ATOM 0 H LEU A 20 6.310 5.709 4.139 1.00 0.00 H new ATOM 0 HA LEU A 20 4.644 7.062 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.802 4.388 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.247 4.859 2.918 1.00 0.00 H new ATOM 0 HG LEU A 20 4.545 3.481 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.317 4.930 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.924 5.086 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.175 6.351 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.556 4.405 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.500 5.805 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.797 4.175 2.017 1.00 0.00 H new ATOM 278 N GLY A 21 3.617 6.747 5.356 1.00 0.00 N ATOM 279 CA GLY A 21 2.628 7.231 6.301 1.00 0.00 C ATOM 280 C GLY A 21 1.352 6.413 6.276 1.00 0.00 C ATOM 281 O GLY A 21 0.276 6.937 5.991 1.00 0.00 O ATOM 0 H GLY A 21 4.360 6.181 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.050 7.210 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.393 8.271 6.076 1.00 0.00 H new ATOM 285 N VAL A 22 1.473 5.123 6.573 1.00 0.00 N ATOM 286 CA VAL A 22 0.321 4.230 6.583 1.00 0.00 C ATOM 287 C VAL A 22 0.427 3.207 7.709 1.00 0.00 C ATOM 288 O VAL A 22 1.485 3.046 8.319 1.00 0.00 O ATOM 289 CB VAL A 22 0.175 3.487 5.242 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.007 4.477 4.099 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.373 2.581 5.002 1.00 0.00 C ATOM 0 H VAL A 22 2.357 4.673 6.810 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.559 4.852 6.743 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.719 2.865 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.095 3.934 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.885 5.080 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.880 5.127 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.253 2.064 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.283 3.180 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.442 1.849 5.806 1.00 0.00 H new ATOM 301 N THR A 23 -0.675 2.516 7.980 1.00 0.00 N ATOM 302 CA THR A 23 -0.707 1.509 9.032 1.00 0.00 C ATOM 303 C THR A 23 -1.307 0.202 8.526 1.00 0.00 C ATOM 304 O THR A 23 -2.461 0.162 8.097 1.00 0.00 O ATOM 305 CB THR A 23 -1.516 1.994 10.250 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.695 2.679 9.813 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.680 2.919 11.122 1.00 0.00 C ATOM 0 H THR A 23 -1.558 2.636 7.484 1.00 0.00 H new ATOM 0 HA THR A 23 0.326 1.338 9.335 1.00 0.00 H new ATOM 0 HB THR A 23 -1.800 1.123 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.940 3.362 10.472 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.273 3.248 11.975 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.202 2.386 11.477 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.370 3.786 10.539 1.00 0.00 H new ATOM 315 N PHE A 24 -0.517 -0.865 8.577 1.00 0.00 N ATOM 316 CA PHE A 24 -0.971 -2.175 8.123 1.00 0.00 C ATOM 317 C PHE A 24 -1.369 -3.053 9.306 1.00 0.00 C ATOM 318 O PHE A 24 -0.749 -3.000 10.368 1.00 0.00 O ATOM 319 CB PHE A 24 0.125 -2.863 7.307 1.00 0.00 C ATOM 320 CG PHE A 24 0.671 -2.012 6.197 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.753 -1.175 6.416 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.100 -2.047 4.935 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.258 -0.390 5.396 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.601 -1.265 3.911 1.00 0.00 C ATOM 325 CZ PHE A 24 1.680 -0.435 4.142 1.00 0.00 C ATOM 0 H PHE A 24 0.441 -0.849 8.928 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.847 -2.030 7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.941 -3.144 7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.273 -3.785 6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.207 -1.135 7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.746 -2.692 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.103 0.257 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.149 -1.303 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.071 0.178 3.344 1.00 0.00 H new ATOM 335 N ARG A 25 -2.407 -3.860 9.113 1.00 0.00 N ATOM 336 CA ARG A 25 -2.889 -4.749 10.163 1.00 0.00 C ATOM 337 C ARG A 25 -2.762 -6.209 9.740 1.00 0.00 C ATOM 338 O ARG A 25 -3.050 -6.563 8.597 1.00 0.00 O ATOM 339 CB ARG A 25 -4.347 -4.430 10.502 1.00 0.00 C ATOM 340 CG ARG A 25 -5.294 -4.586 9.324 1.00 0.00 C ATOM 341 CD ARG A 25 -6.714 -4.186 9.694 1.00 0.00 C ATOM 342 NE ARG A 25 -7.634 -4.333 8.569 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.898 -3.924 8.595 1.00 0.00 C ATOM 344 NH1 ARG A 25 -9.388 -3.345 9.683 1.00 0.00 N ATOM 345 NH2 ARG A 25 -9.673 -4.093 7.532 1.00 0.00 N ATOM 0 H ARG A 25 -2.930 -3.916 8.239 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.274 -4.590 11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.675 -5.084 11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.409 -3.408 10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.947 -3.972 8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.284 -5.621 8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.058 -4.799 10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.722 -3.151 10.036 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.287 -4.774 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.794 -3.213 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.359 -3.032 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.299 -4.537 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.643 -3.779 7.553 1.00 0.00 H new ATOM 359 N VAL A 26 -2.328 -7.054 10.671 1.00 0.00 N ATOM 360 CA VAL A 26 -2.163 -8.476 10.395 1.00 0.00 C ATOM 361 C VAL A 26 -3.442 -9.247 10.704 1.00 0.00 C ATOM 362 O VAL A 26 -3.700 -9.604 11.852 1.00 0.00 O ATOM 363 CB VAL A 26 -1.005 -9.076 11.214 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.800 -10.540 10.856 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.273 -8.280 10.990 1.00 0.00 C ATOM 0 H VAL A 26 -2.085 -6.778 11.622 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.933 -8.568 9.333 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.262 -9.018 12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.022 -10.947 11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.711 -11.098 11.071 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.564 -10.626 9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.081 -8.717 11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.537 -8.305 9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.117 -7.247 11.301 1.00 0.00 H new ATOM 375 N GLU A 27 -4.237 -9.501 9.669 1.00 0.00 N ATOM 376 CA GLU A 27 -5.490 -10.231 9.831 1.00 0.00 C ATOM 377 C GLU A 27 -5.417 -11.594 9.149 1.00 0.00 C ATOM 378 O GLU A 27 -5.593 -11.703 7.936 1.00 0.00 O ATOM 379 CB GLU A 27 -6.655 -9.422 9.257 1.00 0.00 C ATOM 380 CG GLU A 27 -7.271 -8.452 10.251 1.00 0.00 C ATOM 381 CD GLU A 27 -6.266 -7.938 11.264 1.00 0.00 C ATOM 382 OE1 GLU A 27 -5.299 -7.264 10.850 1.00 0.00 O ATOM 383 OE2 GLU A 27 -6.446 -8.209 12.469 1.00 0.00 O ATOM 0 H GLU A 27 -4.037 -9.213 8.711 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.656 -10.386 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.306 -8.865 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.426 -10.109 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.701 -7.608 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.090 -8.945 10.775 1.00 0.00 H new ATOM 390 N GLY A 28 -5.157 -12.632 9.938 1.00 0.00 N ATOM 391 CA GLY A 28 -5.065 -13.973 9.393 1.00 0.00 C ATOM 392 C GLY A 28 -3.650 -14.342 8.996 1.00 0.00 C ATOM 393 O GLY A 28 -3.003 -15.153 9.658 1.00 0.00 O ATOM 0 H GLY A 28 -5.008 -12.568 10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.430 -14.687 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.716 -14.053 8.522 1.00 0.00 H new ATOM 397 N GLY A 29 -3.167 -13.746 7.910 1.00 0.00 N ATOM 398 CA GLY A 29 -1.823 -14.031 7.443 1.00 0.00 C ATOM 399 C GLY A 29 -1.421 -13.162 6.268 1.00 0.00 C ATOM 400 O GLY A 29 -0.651 -13.588 5.408 1.00 0.00 O ATOM 0 H GLY A 29 -3.683 -13.071 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.118 -13.880 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.757 -15.080 7.155 1.00 0.00 H new ATOM 404 N GLU A 30 -1.945 -11.940 6.230 1.00 0.00 N ATOM 405 CA GLU A 30 -1.638 -11.011 5.150 1.00 0.00 C ATOM 406 C GLU A 30 -1.650 -9.570 5.652 1.00 0.00 C ATOM 407 O GLU A 30 -2.458 -9.205 6.508 1.00 0.00 O ATOM 408 CB GLU A 30 -2.641 -11.173 4.006 1.00 0.00 C ATOM 409 CG GLU A 30 -4.084 -10.942 4.425 1.00 0.00 C ATOM 410 CD GLU A 30 -4.452 -9.472 4.461 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.369 -8.813 3.404 1.00 0.00 O ATOM 412 OE2 GLU A 30 -4.824 -8.980 5.547 1.00 0.00 O ATOM 0 H GLU A 30 -2.584 -11.571 6.935 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.638 -11.241 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.386 -10.474 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.548 -12.177 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.747 -11.462 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.246 -11.378 5.411 1.00 0.00 H new ATOM 419 N LEU A 31 -0.750 -8.754 5.114 1.00 0.00 N ATOM 420 CA LEU A 31 -0.656 -7.352 5.506 1.00 0.00 C ATOM 421 C LEU A 31 -1.644 -6.499 4.718 1.00 0.00 C ATOM 422 O LEU A 31 -1.559 -6.403 3.493 1.00 0.00 O ATOM 423 CB LEU A 31 0.767 -6.836 5.290 1.00 0.00 C ATOM 424 CG LEU A 31 1.733 -7.020 6.462 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.115 -6.499 6.101 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.204 -6.318 7.704 1.00 0.00 C ATOM 0 H LEU A 31 -0.075 -9.039 4.405 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.905 -7.279 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.186 -7.338 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.715 -5.774 5.052 1.00 0.00 H new ATOM 0 HG LEU A 31 1.814 -8.085 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.789 -6.638 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.497 -7.046 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.052 -5.438 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.904 -6.459 8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.093 -5.253 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.235 -6.738 7.975 1.00 0.00 H new ATOM 438 N VAL A 32 -2.581 -5.878 5.428 1.00 0.00 N ATOM 439 CA VAL A 32 -3.583 -5.029 4.796 1.00 0.00 C ATOM 440 C VAL A 32 -3.545 -3.616 5.366 1.00 0.00 C ATOM 441 O VAL A 32 -3.405 -3.427 6.574 1.00 0.00 O ATOM 442 CB VAL A 32 -5.000 -5.605 4.974 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.434 -5.515 6.430 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.987 -4.883 4.070 1.00 0.00 C ATOM 0 H VAL A 32 -2.667 -5.947 6.442 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.344 -4.995 3.733 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.984 -6.657 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.438 -5.927 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.741 -6.082 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.434 -4.472 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.983 -5.304 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.002 -3.823 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.684 -5.005 3.030 1.00 0.00 H new ATOM 454 N ILE A 33 -3.672 -2.626 4.488 1.00 0.00 N ATOM 455 CA ILE A 33 -3.654 -1.229 4.905 1.00 0.00 C ATOM 456 C ILE A 33 -4.917 -0.870 5.680 1.00 0.00 C ATOM 457 O ILE A 33 -6.000 -0.761 5.105 1.00 0.00 O ATOM 458 CB ILE A 33 -3.520 -0.283 3.697 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.238 -0.592 2.919 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.531 1.167 4.156 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.302 -0.186 1.464 1.00 0.00 C ATOM 0 H ILE A 33 -3.788 -2.765 3.484 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.786 -1.104 5.552 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.371 -0.440 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.402 -0.080 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.034 -1.661 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.435 1.823 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.468 1.379 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.697 1.340 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.360 -0.435 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.117 -0.718 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.475 0.888 1.393 1.00 0.00 H new ATOM 473 N ALA A 34 -4.770 -0.686 6.987 1.00 0.00 N ATOM 474 CA ALA A 34 -5.898 -0.335 7.841 1.00 0.00 C ATOM 475 C ALA A 34 -6.214 1.154 7.750 1.00 0.00 C ATOM 476 O ALA A 34 -7.379 1.551 7.728 1.00 0.00 O ATOM 477 CB ALA A 34 -5.612 -0.729 9.283 1.00 0.00 C ATOM 0 H ALA A 34 -3.880 -0.774 7.478 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.771 -0.887 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.463 -0.461 9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.444 -1.805 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.724 -0.204 9.634 1.00 0.00 H new ATOM 483 N ARG A 35 -5.168 1.973 7.698 1.00 0.00 N ATOM 484 CA ARG A 35 -5.335 3.419 7.611 1.00 0.00 C ATOM 485 C ARG A 35 -4.128 4.065 6.936 1.00 0.00 C ATOM 486 O ARG A 35 -3.015 3.541 6.998 1.00 0.00 O ATOM 487 CB ARG A 35 -5.533 4.015 9.005 1.00 0.00 C ATOM 488 CG ARG A 35 -5.091 5.466 9.116 1.00 0.00 C ATOM 489 CD ARG A 35 -5.420 6.045 10.483 1.00 0.00 C ATOM 490 NE ARG A 35 -6.859 6.204 10.678 1.00 0.00 N ATOM 491 CZ ARG A 35 -7.397 6.748 11.764 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.621 7.184 12.746 1.00 0.00 N ATOM 493 NH2 ARG A 35 -8.716 6.857 11.868 1.00 0.00 N ATOM 0 H ARG A 35 -4.197 1.660 7.715 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.220 3.623 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.587 3.943 9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.977 3.418 9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.018 5.535 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.580 6.057 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.019 5.393 11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.930 7.012 10.595 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.485 5.880 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.607 7.102 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.038 7.601 13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.316 6.523 11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.129 7.275 12.702 1.00 0.00 H new ATOM 507 N ILE A 36 -4.357 5.205 6.293 1.00 0.00 N ATOM 508 CA ILE A 36 -3.289 5.922 5.607 1.00 0.00 C ATOM 509 C ILE A 36 -3.006 7.261 6.280 1.00 0.00 C ATOM 510 O ILE A 36 -3.710 8.245 6.050 1.00 0.00 O ATOM 511 CB ILE A 36 -3.635 6.168 4.127 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.594 4.852 3.346 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.676 7.181 3.520 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.243 4.939 1.982 1.00 0.00 C ATOM 0 H ILE A 36 -5.272 5.652 6.233 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.400 5.293 5.664 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.645 6.573 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.556 4.542 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.093 4.077 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.934 7.344 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.750 8.123 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.656 6.802 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.177 3.971 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.290 5.219 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.729 5.690 1.382 1.00 0.00 H new ATOM 526 N LEU A 37 -1.971 7.292 7.112 1.00 0.00 N ATOM 527 CA LEU A 37 -1.592 8.511 7.818 1.00 0.00 C ATOM 528 C LEU A 37 -1.382 9.663 6.841 1.00 0.00 C ATOM 529 O LEU A 37 -1.053 9.449 5.674 1.00 0.00 O ATOM 530 CB LEU A 37 -0.318 8.278 8.631 1.00 0.00 C ATOM 531 CG LEU A 37 -0.517 7.779 10.063 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.664 6.266 10.085 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.642 8.217 10.946 1.00 0.00 C ATOM 0 H LEU A 37 -1.379 6.487 7.314 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.404 8.777 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.302 7.556 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.242 9.213 8.668 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.434 8.218 10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.805 5.929 11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.527 5.976 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.235 5.807 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.484 7.853 11.961 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.573 7.807 10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.701 9.305 10.956 1.00 0.00 H new ATOM 545 N HIS A 38 -1.573 10.886 7.326 1.00 0.00 N ATOM 546 CA HIS A 38 -1.402 12.073 6.496 1.00 0.00 C ATOM 547 C HIS A 38 0.035 12.182 5.993 1.00 0.00 C ATOM 548 O HIS A 38 0.820 12.984 6.498 1.00 0.00 O ATOM 549 CB HIS A 38 -1.776 13.330 7.282 1.00 0.00 C ATOM 550 CG HIS A 38 -0.901 13.573 8.473 1.00 0.00 C ATOM 551 ND1 HIS A 38 -0.938 12.789 9.607 1.00 0.00 N ATOM 552 CD2 HIS A 38 0.039 14.519 8.702 1.00 0.00 C ATOM 553 CE1 HIS A 38 -0.059 13.244 10.483 1.00 0.00 C ATOM 554 NE2 HIS A 38 0.547 14.293 9.958 1.00 0.00 N ATOM 0 H HIS A 38 -1.846 11.081 8.289 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.064 11.982 5.635 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.721 14.193 6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.811 13.247 7.613 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.335 15.305 8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.131 12.828 11.462 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.274 14.846 10.412 1.00 0.00 H new ATOM 563 N GLY A 39 0.372 11.369 4.997 1.00 0.00 N ATOM 564 CA GLY A 39 1.713 11.389 4.444 1.00 0.00 C ATOM 565 C GLY A 39 1.810 12.234 3.189 1.00 0.00 C ATOM 566 O GLY A 39 2.427 13.299 3.196 1.00 0.00 O ATOM 0 H GLY A 39 -0.260 10.696 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.406 11.774 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.024 10.369 4.217 1.00 0.00 H new ATOM 570 N GLY A 40 1.201 11.758 2.107 1.00 0.00 N ATOM 571 CA GLY A 40 1.235 12.489 0.854 1.00 0.00 C ATOM 572 C GLY A 40 1.486 11.586 -0.337 1.00 0.00 C ATOM 573 O GLY A 40 0.782 11.665 -1.343 1.00 0.00 O ATOM 0 H GLY A 40 0.685 10.879 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.289 13.012 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.015 13.249 0.901 1.00 0.00 H new ATOM 577 N MET A 41 2.493 10.726 -0.224 1.00 0.00 N ATOM 578 CA MET A 41 2.834 9.804 -1.301 1.00 0.00 C ATOM 579 C MET A 41 1.637 8.936 -1.675 1.00 0.00 C ATOM 580 O MET A 41 1.081 9.064 -2.765 1.00 0.00 O ATOM 581 CB MET A 41 4.012 8.919 -0.889 1.00 0.00 C ATOM 582 CG MET A 41 4.542 8.048 -2.018 1.00 0.00 C ATOM 583 SD MET A 41 5.832 8.864 -2.978 1.00 0.00 S ATOM 584 CE MET A 41 7.102 9.070 -1.732 1.00 0.00 C ATOM 0 H MET A 41 3.087 10.648 0.602 1.00 0.00 H new ATOM 0 HA MET A 41 3.118 10.393 -2.173 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.819 9.551 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.704 8.280 -0.062 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.936 7.121 -1.602 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.719 7.777 -2.679 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.069 9.204 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.876 9.946 -1.124 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.135 8.185 -1.096 1.00 0.00 H new ATOM 594 N VAL A 42 1.245 8.052 -0.762 1.00 0.00 N ATOM 595 CA VAL A 42 0.113 7.163 -0.996 1.00 0.00 C ATOM 596 C VAL A 42 -1.210 7.905 -0.838 1.00 0.00 C ATOM 597 O VAL A 42 -2.228 7.507 -1.403 1.00 0.00 O ATOM 598 CB VAL A 42 0.134 5.963 -0.031 1.00 0.00 C ATOM 599 CG1 VAL A 42 0.297 6.434 1.405 1.00 0.00 C ATOM 600 CG2 VAL A 42 -1.131 5.132 -0.188 1.00 0.00 C ATOM 0 H VAL A 42 1.695 7.933 0.146 1.00 0.00 H new ATOM 0 HA VAL A 42 0.202 6.799 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 42 0.989 5.334 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.310 5.572 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.234 6.983 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.535 7.086 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.100 4.288 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.002 5.749 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.199 4.762 -1.211 1.00 0.00 H new ATOM 610 N ALA A 43 -1.187 8.987 -0.066 1.00 0.00 N ATOM 611 CA ALA A 43 -2.383 9.786 0.165 1.00 0.00 C ATOM 612 C ALA A 43 -2.785 10.548 -1.094 1.00 0.00 C ATOM 613 O ALA A 43 -3.971 10.737 -1.363 1.00 0.00 O ATOM 614 CB ALA A 43 -2.159 10.751 1.319 1.00 0.00 C ATOM 0 H ALA A 43 -0.352 9.330 0.410 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.197 9.110 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.061 11.341 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.927 10.189 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.328 11.415 1.082 1.00 0.00 H new ATOM 620 N GLN A 44 -1.790 10.985 -1.859 1.00 0.00 N ATOM 621 CA GLN A 44 -2.041 11.728 -3.088 1.00 0.00 C ATOM 622 C GLN A 44 -2.181 10.783 -4.277 1.00 0.00 C ATOM 623 O GLN A 44 -2.890 11.080 -5.237 1.00 0.00 O ATOM 624 CB GLN A 44 -0.911 12.726 -3.345 1.00 0.00 C ATOM 625 CG GLN A 44 -0.779 13.788 -2.266 1.00 0.00 C ATOM 626 CD GLN A 44 -1.815 14.887 -2.399 1.00 0.00 C ATOM 627 OE1 GLN A 44 -2.685 14.834 -3.269 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.728 15.891 -1.534 1.00 0.00 N ATOM 0 H GLN A 44 -0.803 10.837 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.977 12.273 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.031 12.183 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.080 13.214 -4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.876 13.319 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.218 14.226 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.991 15.894 -0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.398 16.659 -1.575 1.00 0.00 H new ATOM 637 N GLN A 45 -1.501 9.643 -4.204 1.00 0.00 N ATOM 638 CA GLN A 45 -1.549 8.655 -5.275 1.00 0.00 C ATOM 639 C GLN A 45 -2.827 7.826 -5.194 1.00 0.00 C ATOM 640 O GLN A 45 -3.069 7.136 -4.205 1.00 0.00 O ATOM 641 CB GLN A 45 -0.327 7.738 -5.207 1.00 0.00 C ATOM 642 CG GLN A 45 0.882 8.279 -5.953 1.00 0.00 C ATOM 643 CD GLN A 45 2.181 7.640 -5.502 1.00 0.00 C ATOM 644 OE1 GLN A 45 2.363 6.428 -5.619 1.00 0.00 O ATOM 645 NE2 GLN A 45 3.092 8.454 -4.983 1.00 0.00 N ATOM 0 H GLN A 45 -0.911 9.381 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.542 9.187 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.059 7.581 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.591 6.764 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.750 8.110 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.942 9.357 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.899 9.452 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.985 8.081 -4.662 1.00 0.00 H new ATOM 654 N GLY A 46 -3.642 7.900 -6.241 1.00 0.00 N ATOM 655 CA GLY A 46 -4.886 7.152 -6.268 1.00 0.00 C ATOM 656 C GLY A 46 -4.689 5.716 -6.710 1.00 0.00 C ATOM 657 O GLY A 46 -5.510 5.167 -7.446 1.00 0.00 O ATOM 0 H GLY A 46 -3.464 8.465 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.336 7.165 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.587 7.644 -6.942 1.00 0.00 H new ATOM 661 N LEU A 47 -3.597 5.105 -6.263 1.00 0.00 N ATOM 662 CA LEU A 47 -3.294 3.723 -6.619 1.00 0.00 C ATOM 663 C LEU A 47 -3.535 2.791 -5.436 1.00 0.00 C ATOM 664 O LEU A 47 -4.175 1.748 -5.574 1.00 0.00 O ATOM 665 CB LEU A 47 -1.843 3.604 -7.089 1.00 0.00 C ATOM 666 CG LEU A 47 -1.399 4.605 -8.157 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.090 4.888 -8.037 1.00 0.00 C ATOM 668 CD2 LEU A 47 -1.735 4.086 -9.547 1.00 0.00 C ATOM 0 H LEU A 47 -2.907 5.545 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.958 3.428 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.191 3.715 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.689 2.597 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.939 5.539 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.388 5.602 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.303 5.304 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.648 3.961 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.412 4.811 -10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.223 3.139 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.811 3.936 -9.629 1.00 0.00 H new ATOM 680 N LEU A 48 -3.020 3.174 -4.273 1.00 0.00 N ATOM 681 CA LEU A 48 -3.181 2.374 -3.064 1.00 0.00 C ATOM 682 C LEU A 48 -4.262 2.961 -2.162 1.00 0.00 C ATOM 683 O LEU A 48 -4.370 4.179 -2.016 1.00 0.00 O ATOM 684 CB LEU A 48 -1.856 2.290 -2.303 1.00 0.00 C ATOM 685 CG LEU A 48 -0.609 2.047 -3.153 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.626 2.602 -2.460 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.440 0.563 -3.440 1.00 0.00 C ATOM 0 H LEU A 48 -2.487 4.034 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.487 1.371 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.719 3.219 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.932 1.489 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.733 2.568 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.504 2.420 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.506 3.675 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.754 2.110 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.453 0.409 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.339 0.020 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.313 0.195 -3.979 1.00 0.00 H new ATOM 699 N HIS A 49 -5.060 2.086 -1.557 1.00 0.00 N ATOM 700 CA HIS A 49 -6.132 2.518 -0.667 1.00 0.00 C ATOM 701 C HIS A 49 -6.420 1.457 0.391 1.00 0.00 C ATOM 702 O HIS A 49 -6.253 0.262 0.147 1.00 0.00 O ATOM 703 CB HIS A 49 -7.400 2.815 -1.467 1.00 0.00 C ATOM 704 CG HIS A 49 -7.494 4.234 -1.937 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.514 5.311 -1.076 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.572 4.750 -3.186 1.00 0.00 C ATOM 707 CE1 HIS A 49 -7.602 6.429 -1.776 1.00 0.00 C ATOM 708 NE2 HIS A 49 -7.639 6.116 -3.058 1.00 0.00 N ATOM 0 H HIS A 49 -4.984 1.075 -1.667 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.808 3.429 -0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.438 2.152 -2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.270 2.587 -0.851 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.580 4.192 -4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.638 7.428 -1.368 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.706 6.781 -3.829 1.00 0.00 H new ATOM 717 N VAL A 50 -6.853 1.902 1.566 1.00 0.00 N ATOM 718 CA VAL A 50 -7.164 0.991 2.661 1.00 0.00 C ATOM 719 C VAL A 50 -7.739 -0.321 2.138 1.00 0.00 C ATOM 720 O VAL A 50 -8.627 -0.326 1.286 1.00 0.00 O ATOM 721 CB VAL A 50 -8.166 1.620 3.647 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.672 0.578 4.633 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.529 2.792 4.378 1.00 0.00 C ATOM 0 H VAL A 50 -6.996 2.888 1.784 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.228 0.792 3.183 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.019 1.994 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.379 1.041 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.169 -0.226 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.832 0.171 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.251 3.225 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.657 2.445 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.222 3.548 3.655 1.00 0.00 H new ATOM 733 N GLY A 51 -7.226 -1.433 2.655 1.00 0.00 N ATOM 734 CA GLY A 51 -7.701 -2.737 2.228 1.00 0.00 C ATOM 735 C GLY A 51 -6.711 -3.448 1.326 1.00 0.00 C ATOM 736 O GLY A 51 -6.678 -4.677 1.277 1.00 0.00 O ATOM 0 H GLY A 51 -6.491 -1.455 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.897 -3.354 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.649 -2.621 1.702 1.00 0.00 H new ATOM 740 N ASP A 52 -5.904 -2.673 0.610 1.00 0.00 N ATOM 741 CA ASP A 52 -4.909 -3.236 -0.295 1.00 0.00 C ATOM 742 C ASP A 52 -4.064 -4.290 0.413 1.00 0.00 C ATOM 743 O ASP A 52 -3.556 -4.057 1.510 1.00 0.00 O ATOM 744 CB ASP A 52 -4.008 -2.130 -0.849 1.00 0.00 C ATOM 745 CG ASP A 52 -4.550 -1.530 -2.131 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.760 -1.688 -2.395 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.763 -0.904 -2.872 1.00 0.00 O ATOM 0 H ASP A 52 -5.919 -1.654 0.639 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.435 -3.714 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.900 -1.345 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.013 -2.534 -1.033 1.00 0.00 H new ATOM 752 N ILE A 53 -3.920 -5.449 -0.220 1.00 0.00 N ATOM 753 CA ILE A 53 -3.137 -6.538 0.350 1.00 0.00 C ATOM 754 C ILE A 53 -1.741 -6.591 -0.262 1.00 0.00 C ATOM 755 O ILE A 53 -1.590 -6.664 -1.482 1.00 0.00 O ATOM 756 CB ILE A 53 -3.829 -7.898 0.140 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.218 -7.893 0.782 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.978 -9.020 0.717 1.00 0.00 C ATOM 759 CD1 ILE A 53 -6.294 -7.315 -0.110 1.00 0.00 C ATOM 0 H ILE A 53 -4.335 -5.658 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.055 -6.342 1.419 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.944 -8.069 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.489 -8.914 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.179 -7.320 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.480 -9.975 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.009 -9.034 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.835 -8.856 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.252 -7.343 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.046 -6.283 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.361 -7.902 -1.026 1.00 0.00 H new ATOM 771 N ILE A 54 -0.725 -6.556 0.593 1.00 0.00 N ATOM 772 CA ILE A 54 0.659 -6.603 0.136 1.00 0.00 C ATOM 773 C ILE A 54 1.227 -8.013 0.249 1.00 0.00 C ATOM 774 O ILE A 54 1.135 -8.650 1.298 1.00 0.00 O ATOM 775 CB ILE A 54 1.550 -5.637 0.940 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.038 -4.202 0.801 1.00 0.00 C ATOM 777 CG2 ILE A 54 2.994 -5.738 0.474 1.00 0.00 C ATOM 778 CD1 ILE A 54 0.001 -3.827 1.836 1.00 0.00 C ATOM 0 H ILE A 54 -0.833 -6.495 1.605 1.00 0.00 H new ATOM 0 HA ILE A 54 0.657 -6.297 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 54 1.508 -5.917 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.881 -3.515 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.611 -4.072 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.612 -5.050 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.353 -6.757 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.054 -5.480 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.316 -2.796 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.860 -4.490 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.430 -3.924 2.833 1.00 0.00 H new ATOM 790 N LYS A 55 1.817 -8.496 -0.840 1.00 0.00 N ATOM 791 CA LYS A 55 2.404 -9.830 -0.865 1.00 0.00 C ATOM 792 C LYS A 55 3.928 -9.754 -0.851 1.00 0.00 C ATOM 793 O LYS A 55 4.579 -10.342 0.012 1.00 0.00 O ATOM 794 CB LYS A 55 1.932 -10.595 -2.103 1.00 0.00 C ATOM 795 CG LYS A 55 0.561 -11.228 -1.941 1.00 0.00 C ATOM 796 CD LYS A 55 0.613 -12.449 -1.038 1.00 0.00 C ATOM 797 CE LYS A 55 -0.455 -13.465 -1.412 1.00 0.00 C ATOM 798 NZ LYS A 55 -0.661 -14.474 -0.337 1.00 0.00 N ATOM 0 H LYS A 55 1.901 -7.982 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 55 2.076 -10.361 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.910 -9.914 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.657 -11.374 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.132 -10.496 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.174 -11.514 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.597 -12.912 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.477 -12.142 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.394 -12.948 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.168 -13.970 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.396 -15.148 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.228 -14.985 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.959 -13.995 0.536 1.00 0.00 H new ATOM 812 N GLU A 56 4.488 -9.026 -1.812 1.00 0.00 N ATOM 813 CA GLU A 56 5.935 -8.874 -1.908 1.00 0.00 C ATOM 814 C GLU A 56 6.303 -7.483 -2.416 1.00 0.00 C ATOM 815 O GLU A 56 5.580 -6.891 -3.218 1.00 0.00 O ATOM 816 CB GLU A 56 6.521 -9.939 -2.836 1.00 0.00 C ATOM 817 CG GLU A 56 8.016 -9.791 -3.066 1.00 0.00 C ATOM 818 CD GLU A 56 8.629 -11.010 -3.727 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.392 -11.213 -4.936 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.346 -11.762 -3.034 1.00 0.00 O ATOM 0 H GLU A 56 3.963 -8.533 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 56 6.355 -9.001 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.323 -10.925 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.008 -9.894 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.199 -8.915 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.511 -9.613 -2.111 1.00 0.00 H new ATOM 827 N VAL A 57 7.433 -6.966 -1.944 1.00 0.00 N ATOM 828 CA VAL A 57 7.898 -5.646 -2.350 1.00 0.00 C ATOM 829 C VAL A 57 9.373 -5.677 -2.737 1.00 0.00 C ATOM 830 O VAL A 57 10.236 -5.959 -1.907 1.00 0.00 O ATOM 831 CB VAL A 57 7.695 -4.610 -1.228 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.306 -3.272 -1.619 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.217 -4.456 -0.907 1.00 0.00 C ATOM 0 H VAL A 57 8.043 -7.442 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 57 7.304 -5.354 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 57 8.203 -4.966 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.153 -2.553 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.374 -3.397 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.829 -2.906 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.092 -3.720 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.684 -4.122 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.814 -5.415 -0.581 1.00 0.00 H new ATOM 843 N ASN A 58 9.653 -5.385 -4.003 1.00 0.00 N ATOM 844 CA ASN A 58 11.024 -5.380 -4.500 1.00 0.00 C ATOM 845 C ASN A 58 11.649 -6.768 -4.388 1.00 0.00 C ATOM 846 O ASN A 58 12.852 -6.903 -4.168 1.00 0.00 O ATOM 847 CB ASN A 58 11.866 -4.365 -3.725 1.00 0.00 C ATOM 848 CG ASN A 58 11.715 -2.956 -4.264 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.203 -2.752 -5.365 1.00 0.00 O ATOM 850 ND2 ASN A 58 12.160 -1.975 -3.488 1.00 0.00 N ATOM 0 H ASN A 58 8.949 -5.149 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 58 11.001 -5.095 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.575 -4.382 -2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.915 -4.658 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.084 -1.006 -3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.577 -2.190 -2.583 1.00 0.00 H new ATOM 857 N GLY A 59 10.821 -7.797 -4.541 1.00 0.00 N ATOM 858 CA GLY A 59 11.310 -9.161 -4.454 1.00 0.00 C ATOM 859 C GLY A 59 11.738 -9.535 -3.049 1.00 0.00 C ATOM 860 O GLY A 59 12.699 -10.282 -2.864 1.00 0.00 O ATOM 0 H GLY A 59 9.821 -7.711 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.530 -9.845 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.154 -9.285 -5.133 1.00 0.00 H new ATOM 864 N GLN A 60 11.025 -9.013 -2.056 1.00 0.00 N ATOM 865 CA GLN A 60 11.339 -9.295 -0.660 1.00 0.00 C ATOM 866 C GLN A 60 10.074 -9.625 0.126 1.00 0.00 C ATOM 867 O GLN A 60 9.036 -8.981 -0.023 1.00 0.00 O ATOM 868 CB GLN A 60 12.053 -8.101 -0.024 1.00 0.00 C ATOM 869 CG GLN A 60 11.799 -7.964 1.468 1.00 0.00 C ATOM 870 CD GLN A 60 12.760 -7.003 2.138 1.00 0.00 C ATOM 871 OE1 GLN A 60 13.675 -6.478 1.503 1.00 0.00 O ATOM 872 NE2 GLN A 60 12.557 -6.765 3.429 1.00 0.00 N ATOM 0 H GLN A 60 10.227 -8.393 -2.192 1.00 0.00 H new ATOM 0 HA GLN A 60 12.000 -10.161 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.125 -8.197 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.731 -7.188 -0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.777 -7.621 1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.884 -8.944 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.786 -7.222 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.172 -6.126 3.933 1.00 0.00 H new ATOM 881 N PRO A 61 10.162 -10.652 0.985 1.00 0.00 N ATOM 882 CA PRO A 61 9.033 -11.090 1.812 1.00 0.00 C ATOM 883 C PRO A 61 8.687 -10.081 2.902 1.00 0.00 C ATOM 884 O PRO A 61 9.522 -9.750 3.744 1.00 0.00 O ATOM 885 CB PRO A 61 9.535 -12.396 2.433 1.00 0.00 C ATOM 886 CG PRO A 61 11.019 -12.269 2.436 1.00 0.00 C ATOM 887 CD PRO A 61 11.368 -11.464 1.214 1.00 0.00 C ATOM 0 HA PRO A 61 8.119 -11.202 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.147 -12.529 3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.213 -13.260 1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.366 -11.773 3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.495 -13.249 2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.246 -10.841 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.589 -12.105 0.360 1.00 0.00 H new ATOM 895 N VAL A 62 7.451 -9.594 2.880 1.00 0.00 N ATOM 896 CA VAL A 62 6.994 -8.623 3.868 1.00 0.00 C ATOM 897 C VAL A 62 6.630 -9.306 5.181 1.00 0.00 C ATOM 898 O VAL A 62 6.519 -8.656 6.221 1.00 0.00 O ATOM 899 CB VAL A 62 5.774 -7.834 3.356 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.107 -7.119 2.056 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.580 -8.759 3.174 1.00 0.00 C ATOM 0 H VAL A 62 6.748 -9.856 2.189 1.00 0.00 H new ATOM 0 HA VAL A 62 7.819 -7.931 4.038 1.00 0.00 H new ATOM 0 HB VAL A 62 5.512 -7.081 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.233 -6.567 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.931 -6.426 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.396 -7.851 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.727 -8.185 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.828 -9.536 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.328 -9.220 4.129 1.00 0.00 H new ATOM 911 N GLY A 63 6.444 -10.621 5.127 1.00 0.00 N ATOM 912 CA GLY A 63 6.095 -11.371 6.320 1.00 0.00 C ATOM 913 C GLY A 63 4.849 -10.834 6.998 1.00 0.00 C ATOM 914 O GLY A 63 4.128 -10.016 6.428 1.00 0.00 O ATOM 0 H GLY A 63 6.529 -11.181 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.939 -12.417 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.929 -11.341 7.022 1.00 0.00 H new ATOM 918 N SER A 64 4.595 -11.298 8.217 1.00 0.00 N ATOM 919 CA SER A 64 3.425 -10.864 8.971 1.00 0.00 C ATOM 920 C SER A 64 3.795 -9.767 9.965 1.00 0.00 C ATOM 921 O SER A 64 3.245 -9.699 11.065 1.00 0.00 O ATOM 922 CB SER A 64 2.800 -12.048 9.711 1.00 0.00 C ATOM 923 OG SER A 64 2.159 -12.932 8.808 1.00 0.00 O ATOM 0 H SER A 64 5.183 -11.974 8.704 1.00 0.00 H new ATOM 0 HA SER A 64 2.698 -10.461 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.572 -12.584 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.079 -11.684 10.443 1.00 0.00 H new ATOM 0 HG SER A 64 1.769 -13.681 9.305 1.00 0.00 H new ATOM 929 N ASP A 65 4.731 -8.911 9.570 1.00 0.00 N ATOM 930 CA ASP A 65 5.176 -7.816 10.425 1.00 0.00 C ATOM 931 C ASP A 65 4.985 -6.472 9.729 1.00 0.00 C ATOM 932 O ASP A 65 5.756 -6.085 8.851 1.00 0.00 O ATOM 933 CB ASP A 65 6.645 -8.003 10.806 1.00 0.00 C ATOM 934 CG ASP A 65 7.484 -8.510 9.649 1.00 0.00 C ATOM 935 OD1 ASP A 65 7.539 -7.820 8.610 1.00 0.00 O ATOM 936 OD2 ASP A 65 8.084 -9.597 9.782 1.00 0.00 O ATOM 0 H ASP A 65 5.196 -8.954 8.663 1.00 0.00 H new ATOM 0 HA ASP A 65 4.570 -7.825 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.050 -7.054 11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.715 -8.705 11.637 1.00 0.00 H new ATOM 941 N PRO A 66 3.933 -5.743 10.129 1.00 0.00 N ATOM 942 CA PRO A 66 3.615 -4.431 9.557 1.00 0.00 C ATOM 943 C PRO A 66 4.630 -3.364 9.954 1.00 0.00 C ATOM 944 O PRO A 66 5.027 -2.536 9.134 1.00 0.00 O ATOM 945 CB PRO A 66 2.241 -4.109 10.150 1.00 0.00 C ATOM 946 CG PRO A 66 2.185 -4.886 11.420 1.00 0.00 C ATOM 947 CD PRO A 66 2.972 -6.142 11.172 1.00 0.00 C ATOM 0 HA PRO A 66 3.631 -4.447 8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.130 -3.040 10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.439 -4.400 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.611 -4.315 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.155 -5.118 11.690 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.478 -6.484 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.331 -6.958 10.837 1.00 0.00 H new ATOM 955 N ARG A 67 5.046 -3.390 11.216 1.00 0.00 N ATOM 956 CA ARG A 67 6.014 -2.425 11.722 1.00 0.00 C ATOM 957 C ARG A 67 7.336 -2.533 10.966 1.00 0.00 C ATOM 958 O ARG A 67 8.000 -1.529 10.710 1.00 0.00 O ATOM 959 CB ARG A 67 6.251 -2.643 13.217 1.00 0.00 C ATOM 960 CG ARG A 67 4.969 -2.750 14.027 1.00 0.00 C ATOM 961 CD ARG A 67 5.163 -2.241 15.447 1.00 0.00 C ATOM 962 NE ARG A 67 6.163 -3.018 16.175 1.00 0.00 N ATOM 963 CZ ARG A 67 6.549 -2.741 17.415 1.00 0.00 C ATOM 964 NH1 ARG A 67 6.020 -1.712 18.063 1.00 0.00 N ATOM 965 NH2 ARG A 67 7.464 -3.495 18.011 1.00 0.00 N ATOM 0 H ARG A 67 4.727 -4.069 11.907 1.00 0.00 H new ATOM 0 HA ARG A 67 5.607 -1.426 11.568 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.835 -3.553 13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.849 -1.819 13.606 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.180 -2.178 13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.640 -3.789 14.053 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.467 -1.195 15.419 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.213 -2.283 15.980 1.00 0.00 H new ATOM 0 HE ARG A 67 6.588 -3.817 15.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.315 -1.131 17.609 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.318 -1.501 19.015 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.872 -4.289 17.517 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.760 -3.281 18.964 1.00 0.00 H new ATOM 979 N ALA A 68 7.710 -3.758 10.613 1.00 0.00 N ATOM 980 CA ALA A 68 8.951 -3.998 9.886 1.00 0.00 C ATOM 981 C ALA A 68 8.816 -3.593 8.422 1.00 0.00 C ATOM 982 O ALA A 68 9.795 -3.210 7.780 1.00 0.00 O ATOM 983 CB ALA A 68 9.353 -5.461 9.996 1.00 0.00 C ATOM 0 H ALA A 68 7.172 -4.600 10.818 1.00 0.00 H new ATOM 0 HA ALA A 68 9.731 -3.384 10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.281 -5.625 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.499 -5.720 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.567 -6.087 9.574 1.00 0.00 H new ATOM 989 N LEU A 69 7.598 -3.681 7.898 1.00 0.00 N ATOM 990 CA LEU A 69 7.335 -3.324 6.509 1.00 0.00 C ATOM 991 C LEU A 69 7.445 -1.816 6.303 1.00 0.00 C ATOM 992 O LEU A 69 8.176 -1.352 5.429 1.00 0.00 O ATOM 993 CB LEU A 69 5.944 -3.806 6.092 1.00 0.00 C ATOM 994 CG LEU A 69 5.262 -3.008 4.981 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.062 -3.098 3.691 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.839 -3.503 4.764 1.00 0.00 C ATOM 0 H LEU A 69 6.777 -3.997 8.415 1.00 0.00 H new ATOM 0 HA LEU A 69 8.085 -3.813 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.023 -4.844 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.298 -3.793 6.970 1.00 0.00 H new ATOM 0 HG LEU A 69 5.219 -1.962 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.561 -2.524 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.061 -2.694 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.138 -4.140 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.369 -2.923 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.859 -4.556 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.268 -3.385 5.685 1.00 0.00 H new ATOM 1008 N GLN A 70 6.716 -1.058 7.116 1.00 0.00 N ATOM 1009 CA GLN A 70 6.734 0.397 7.024 1.00 0.00 C ATOM 1010 C GLN A 70 8.165 0.926 7.046 1.00 0.00 C ATOM 1011 O GLN A 70 8.420 2.067 6.663 1.00 0.00 O ATOM 1012 CB GLN A 70 5.933 1.012 8.172 1.00 0.00 C ATOM 1013 CG GLN A 70 4.432 0.811 8.042 1.00 0.00 C ATOM 1014 CD GLN A 70 3.667 1.331 9.243 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.494 0.760 9.492 1.00 0.00 O flip ATOM 1016 NE2 GLN A 70 4.125 2.237 9.940 1.00 0.00 N flip ATOM 0 H GLN A 70 6.106 -1.427 7.845 1.00 0.00 H new ATOM 0 HA GLN A 70 6.275 0.682 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.269 0.577 9.113 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.145 2.080 8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.078 1.317 7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.221 -0.251 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.031 2.647 9.712 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.599 2.577 10.745 1.00 0.00 H new ATOM 1025 N GLU A 71 9.094 0.088 7.497 1.00 0.00 N ATOM 1026 CA GLU A 71 10.498 0.474 7.569 1.00 0.00 C ATOM 1027 C GLU A 71 11.231 0.104 6.283 1.00 0.00 C ATOM 1028 O GLU A 71 12.158 0.797 5.862 1.00 0.00 O ATOM 1029 CB GLU A 71 11.174 -0.201 8.765 1.00 0.00 C ATOM 1030 CG GLU A 71 12.675 0.028 8.825 1.00 0.00 C ATOM 1031 CD GLU A 71 13.241 -0.174 10.217 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.788 -1.109 10.911 1.00 0.00 O ATOM 1033 OE2 GLU A 71 14.135 0.601 10.613 1.00 0.00 O ATOM 0 H GLU A 71 8.900 -0.861 7.817 1.00 0.00 H new ATOM 0 HA GLU A 71 10.545 1.556 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.721 0.170 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.980 -1.273 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.171 -0.653 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.898 1.041 8.490 1.00 0.00 H new ATOM 1040 N LEU A 72 10.808 -0.992 5.662 1.00 0.00 N ATOM 1041 CA LEU A 72 11.424 -1.455 4.423 1.00 0.00 C ATOM 1042 C LEU A 72 11.286 -0.408 3.322 1.00 0.00 C ATOM 1043 O LEU A 72 12.236 -0.136 2.586 1.00 0.00 O ATOM 1044 CB LEU A 72 10.785 -2.770 3.974 1.00 0.00 C ATOM 1045 CG LEU A 72 9.579 -2.648 3.042 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.021 -2.223 1.650 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.815 -3.962 2.983 1.00 0.00 C ATOM 0 H LEU A 72 10.041 -1.576 5.996 1.00 0.00 H new ATOM 0 HA LEU A 72 12.485 -1.619 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.546 -3.368 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.478 -3.323 4.862 1.00 0.00 H new ATOM 0 HG LEU A 72 8.913 -1.882 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.149 -2.141 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.523 -1.257 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.708 -2.966 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.960 -3.856 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.472 -4.748 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.465 -4.225 3.981 1.00 0.00 H new ATOM 1059 N LEU A 73 10.099 0.179 3.216 1.00 0.00 N ATOM 1060 CA LEU A 73 9.837 1.199 2.206 1.00 0.00 C ATOM 1061 C LEU A 73 10.657 2.456 2.477 1.00 0.00 C ATOM 1062 O LEU A 73 10.952 3.225 1.562 1.00 0.00 O ATOM 1063 CB LEU A 73 8.347 1.544 2.177 1.00 0.00 C ATOM 1064 CG LEU A 73 7.419 0.467 1.614 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.012 0.633 2.167 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.405 0.516 0.093 1.00 0.00 C ATOM 0 H LEU A 73 9.303 -0.034 3.817 1.00 0.00 H new ATOM 0 HA LEU A 73 10.130 0.799 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.028 1.775 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.216 2.452 1.588 1.00 0.00 H new ATOM 0 HG LEU A 73 7.796 -0.508 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.365 -0.142 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.036 0.547 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.625 1.613 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.739 -0.258 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.053 1.494 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.413 0.347 -0.286 1.00 0.00 H new ATOM 1078 N ARG A 74 11.024 2.657 3.738 1.00 0.00 N ATOM 1079 CA ARG A 74 11.811 3.821 4.129 1.00 0.00 C ATOM 1080 C ARG A 74 13.172 3.812 3.439 1.00 0.00 C ATOM 1081 O ARG A 74 13.731 4.865 3.135 1.00 0.00 O ATOM 1082 CB ARG A 74 11.996 3.851 5.647 1.00 0.00 C ATOM 1083 CG ARG A 74 12.467 5.196 6.176 1.00 0.00 C ATOM 1084 CD ARG A 74 12.674 5.161 7.682 1.00 0.00 C ATOM 1085 NE ARG A 74 13.558 6.230 8.138 1.00 0.00 N ATOM 1086 CZ ARG A 74 13.610 6.654 9.396 1.00 0.00 C ATOM 1087 NH1 ARG A 74 12.832 6.103 10.318 1.00 0.00 N ATOM 1088 NH2 ARG A 74 14.441 7.632 9.734 1.00 0.00 N ATOM 0 H ARG A 74 10.789 2.029 4.507 1.00 0.00 H new ATOM 0 HA ARG A 74 11.271 4.716 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.051 3.593 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.717 3.085 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.400 5.474 5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.734 5.963 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.710 5.250 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.094 4.197 7.968 1.00 0.00 H new ATOM 0 HE ARG A 74 14.169 6.676 7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.192 5.352 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.874 6.431 11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.040 8.059 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.480 7.957 10.700 1.00 0.00 H new ATOM 1102 N ASN A 75 13.699 2.617 3.196 1.00 0.00 N ATOM 1103 CA ASN A 75 14.995 2.471 2.543 1.00 0.00 C ATOM 1104 C ASN A 75 14.837 2.410 1.027 1.00 0.00 C ATOM 1105 O ASN A 75 15.648 2.963 0.285 1.00 0.00 O ATOM 1106 CB ASN A 75 15.703 1.211 3.045 1.00 0.00 C ATOM 1107 CG ASN A 75 16.202 1.357 4.470 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.406 1.442 4.713 1.00 0.00 O ATOM 1109 ND2 ASN A 75 15.275 1.385 5.420 1.00 0.00 N ATOM 0 H ASN A 75 13.249 1.735 3.441 1.00 0.00 H new ATOM 0 HA ASN A 75 15.600 3.343 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.018 0.365 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.544 0.985 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.549 1.480 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.288 1.311 5.172 1.00 0.00 H new ATOM 1116 N ALA A 76 13.787 1.733 0.574 1.00 0.00 N ATOM 1117 CA ALA A 76 13.520 1.601 -0.853 1.00 0.00 C ATOM 1118 C ALA A 76 13.725 2.929 -1.575 1.00 0.00 C ATOM 1119 O ALA A 76 12.983 3.886 -1.356 1.00 0.00 O ATOM 1120 CB ALA A 76 12.106 1.087 -1.080 1.00 0.00 C ATOM 0 H ALA A 76 13.107 1.267 1.175 1.00 0.00 H new ATOM 0 HA ALA A 76 14.227 0.881 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.920 0.993 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.993 0.112 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.391 1.787 -0.648 1.00 0.00 H new ATOM 1126 N SER A 77 14.737 2.979 -2.435 1.00 0.00 N ATOM 1127 CA SER A 77 15.042 4.191 -3.186 1.00 0.00 C ATOM 1128 C SER A 77 15.105 3.902 -4.682 1.00 0.00 C ATOM 1129 O SER A 77 15.552 2.836 -5.102 1.00 0.00 O ATOM 1130 CB SER A 77 16.369 4.788 -2.714 1.00 0.00 C ATOM 1131 OG SER A 77 16.501 6.135 -3.134 1.00 0.00 O ATOM 0 H SER A 77 15.359 2.195 -2.629 1.00 0.00 H new ATOM 0 HA SER A 77 14.243 4.911 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.429 4.735 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.197 4.198 -3.108 1.00 0.00 H new ATOM 0 HG SER A 77 17.415 6.444 -2.960 1.00 0.00 H new ATOM 1137 N GLY A 78 14.652 4.862 -5.484 1.00 0.00 N ATOM 1138 CA GLY A 78 14.664 4.692 -6.925 1.00 0.00 C ATOM 1139 C GLY A 78 13.442 3.953 -7.432 1.00 0.00 C ATOM 1140 O GLY A 78 12.315 4.271 -7.055 1.00 0.00 O ATOM 0 H GLY A 78 14.277 5.754 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.717 5.670 -7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.561 4.146 -7.216 1.00 0.00 H new ATOM 1144 N SER A 79 13.665 2.964 -8.292 1.00 0.00 N ATOM 1145 CA SER A 79 12.572 2.181 -8.857 1.00 0.00 C ATOM 1146 C SER A 79 12.083 1.134 -7.861 1.00 0.00 C ATOM 1147 O SER A 79 12.677 0.064 -7.725 1.00 0.00 O ATOM 1148 CB SER A 79 13.021 1.500 -10.151 1.00 0.00 C ATOM 1149 OG SER A 79 14.014 0.522 -9.895 1.00 0.00 O ATOM 0 H SER A 79 14.593 2.686 -8.613 1.00 0.00 H new ATOM 0 HA SER A 79 11.748 2.859 -9.079 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.164 1.034 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.412 2.247 -10.842 1.00 0.00 H new ATOM 0 HG SER A 79 13.719 -0.060 -9.163 1.00 0.00 H new ATOM 1155 N VAL A 80 10.995 1.451 -7.166 1.00 0.00 N ATOM 1156 CA VAL A 80 10.424 0.539 -6.182 1.00 0.00 C ATOM 1157 C VAL A 80 9.140 -0.097 -6.703 1.00 0.00 C ATOM 1158 O VAL A 80 8.291 0.581 -7.282 1.00 0.00 O ATOM 1159 CB VAL A 80 10.125 1.260 -4.855 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.661 0.267 -3.800 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.350 2.024 -4.376 1.00 0.00 C ATOM 0 H VAL A 80 10.491 2.332 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 80 11.166 -0.240 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 80 9.321 1.976 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.455 0.795 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.754 -0.231 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.441 -0.475 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.121 2.528 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.175 1.329 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.633 2.764 -5.125 1.00 0.00 H new ATOM 1171 N ILE A 81 9.005 -1.402 -6.493 1.00 0.00 N ATOM 1172 CA ILE A 81 7.824 -2.129 -6.941 1.00 0.00 C ATOM 1173 C ILE A 81 6.994 -2.612 -5.756 1.00 0.00 C ATOM 1174 O ILE A 81 7.536 -2.979 -4.712 1.00 0.00 O ATOM 1175 CB ILE A 81 8.204 -3.340 -7.813 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.785 -2.871 -9.149 1.00 0.00 C ATOM 1177 CG2 ILE A 81 6.992 -4.231 -8.040 1.00 0.00 C ATOM 1178 CD1 ILE A 81 7.797 -2.108 -10.003 1.00 0.00 C ATOM 0 H ILE A 81 9.699 -1.977 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 81 7.234 -1.433 -7.537 1.00 0.00 H new ATOM 0 HB ILE A 81 8.964 -3.921 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.652 -2.238 -8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.141 -3.738 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.277 -5.082 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.618 -4.588 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.211 -3.662 -8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.277 -1.807 -10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.941 -2.745 -10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.460 -1.222 -9.465 1.00 0.00 H new ATOM 1190 N LEU A 82 5.676 -2.610 -5.924 1.00 0.00 N ATOM 1191 CA LEU A 82 4.770 -3.050 -4.868 1.00 0.00 C ATOM 1192 C LEU A 82 3.748 -4.046 -5.408 1.00 0.00 C ATOM 1193 O LEU A 82 2.873 -3.689 -6.197 1.00 0.00 O ATOM 1194 CB LEU A 82 4.051 -1.848 -4.253 1.00 0.00 C ATOM 1195 CG LEU A 82 4.926 -0.637 -3.928 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.064 0.574 -3.608 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.861 -0.950 -2.768 1.00 0.00 C ATOM 0 H LEU A 82 5.211 -2.309 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 82 5.362 -3.545 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.266 -1.530 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.561 -2.174 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 82 5.531 -0.405 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.704 1.426 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.437 0.812 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.432 0.354 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.476 -0.077 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.274 -1.209 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.504 -1.789 -3.035 1.00 0.00 H new ATOM 1209 N LYS A 83 3.864 -5.297 -4.976 1.00 0.00 N ATOM 1210 CA LYS A 83 2.950 -6.346 -5.411 1.00 0.00 C ATOM 1211 C LYS A 83 1.700 -6.376 -4.537 1.00 0.00 C ATOM 1212 O LYS A 83 1.726 -6.895 -3.420 1.00 0.00 O ATOM 1213 CB LYS A 83 3.646 -7.708 -5.372 1.00 0.00 C ATOM 1214 CG LYS A 83 2.846 -8.820 -6.027 1.00 0.00 C ATOM 1215 CD LYS A 83 3.717 -10.025 -6.339 1.00 0.00 C ATOM 1216 CE LYS A 83 4.470 -9.844 -7.649 1.00 0.00 C ATOM 1217 NZ LYS A 83 5.227 -11.069 -8.027 1.00 0.00 N ATOM 0 H LYS A 83 4.583 -5.609 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 83 2.650 -6.129 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.613 -7.627 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.842 -7.976 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.031 -9.120 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.392 -8.450 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.428 -10.181 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.096 -10.919 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.765 -9.594 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.159 -9.004 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.726 -10.905 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.918 -11.294 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.567 -11.865 -8.138 1.00 0.00 H new ATOM 1231 N ILE A 84 0.610 -5.819 -5.052 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.649 -5.785 -4.318 1.00 0.00 C ATOM 1233 C ILE A 84 -1.646 -6.789 -4.889 1.00 0.00 C ATOM 1234 O ILE A 84 -1.534 -7.203 -6.044 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.280 -4.381 -4.345 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.218 -3.316 -4.061 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.414 -4.289 -3.335 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.162 -3.217 -2.600 1.00 0.00 C ATOM 0 H ILE A 84 0.573 -5.385 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.419 -6.051 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.691 -4.203 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.674 -3.539 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.587 -2.347 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.849 -3.290 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.179 -5.026 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.027 -4.485 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.919 -2.443 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.720 -2.963 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.561 -4.173 -2.262 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.621 -7.174 -4.074 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.640 -8.128 -4.499 1.00 0.00 C ATOM 1252 C LEU A 85 -4.994 -7.789 -3.884 1.00 0.00 C ATOM 1253 O LEU A 85 -5.067 -7.180 -2.816 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.232 -9.549 -4.107 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.440 -10.333 -5.154 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.966 -9.963 -5.096 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.624 -11.830 -4.952 1.00 0.00 C ATOM 0 H LEU A 85 -2.728 -6.841 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.728 -8.068 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.637 -9.496 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.134 -10.111 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.821 -10.070 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.418 -10.531 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.851 -8.897 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.571 -10.196 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.053 -12.372 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.271 -12.109 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.680 -12.083 -5.046 1.00 0.00 H new ATOM 1269 N SER A 86 -6.064 -8.187 -4.564 1.00 0.00 N ATOM 1270 CA SER A 86 -7.416 -7.924 -4.085 1.00 0.00 C ATOM 1271 C SER A 86 -7.825 -8.941 -3.024 1.00 0.00 C ATOM 1272 O SER A 86 -8.391 -8.584 -1.991 1.00 0.00 O ATOM 1273 CB SER A 86 -8.408 -7.958 -5.250 1.00 0.00 C ATOM 1274 OG SER A 86 -8.340 -9.194 -5.940 1.00 0.00 O ATOM 0 H SER A 86 -6.021 -8.693 -5.449 1.00 0.00 H new ATOM 0 HA SER A 86 -7.428 -6.931 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.420 -7.802 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.194 -7.141 -5.939 1.00 0.00 H new ATOM 0 HG SER A 86 -8.984 -9.192 -6.679 1.00 0.00 H new ATOM 1280 N GLY A 87 -7.533 -10.211 -3.287 1.00 0.00 N ATOM 1281 CA GLY A 87 -7.876 -11.261 -2.346 1.00 0.00 C ATOM 1282 C GLY A 87 -9.219 -11.896 -2.651 1.00 0.00 C ATOM 1283 O GLY A 87 -9.715 -11.839 -3.776 1.00 0.00 O ATOM 0 H GLY A 87 -7.065 -10.531 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.102 -12.028 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.893 -10.849 -1.337 1.00 0.00 H new ATOM 1287 N PRO A 88 -9.827 -12.520 -1.631 1.00 0.00 N ATOM 1288 CA PRO A 88 -11.128 -13.182 -1.772 1.00 0.00 C ATOM 1289 C PRO A 88 -12.266 -12.187 -1.971 1.00 0.00 C ATOM 1290 O PRO A 88 -13.419 -12.577 -2.156 1.00 0.00 O ATOM 1291 CB PRO A 88 -11.293 -13.925 -0.444 1.00 0.00 C ATOM 1292 CG PRO A 88 -10.458 -13.160 0.524 1.00 0.00 C ATOM 1293 CD PRO A 88 -9.293 -12.628 -0.263 1.00 0.00 C ATOM 0 HA PRO A 88 -11.163 -13.831 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.337 -13.951 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.958 -14.959 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.028 -12.347 0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.119 -13.801 1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.960 -11.662 0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.437 -13.301 -0.218 1.00 0.00 H new ATOM 1301 N SER A 89 -11.935 -10.900 -1.931 1.00 0.00 N ATOM 1302 CA SER A 89 -12.931 -9.849 -2.104 1.00 0.00 C ATOM 1303 C SER A 89 -14.167 -10.126 -1.253 1.00 0.00 C ATOM 1304 O SER A 89 -15.298 -9.972 -1.714 1.00 0.00 O ATOM 1305 CB SER A 89 -13.327 -9.730 -3.576 1.00 0.00 C ATOM 1306 OG SER A 89 -13.868 -10.947 -4.059 1.00 0.00 O ATOM 0 H SER A 89 -10.985 -10.560 -1.780 1.00 0.00 H new ATOM 0 HA SER A 89 -12.490 -8.907 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.058 -8.931 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.455 -9.455 -4.169 1.00 0.00 H new ATOM 0 HG SER A 89 -14.095 -11.527 -3.302 1.00 0.00 H new ATOM 1312 N SER A 90 -13.942 -10.537 -0.009 1.00 0.00 N ATOM 1313 CA SER A 90 -15.036 -10.840 0.905 1.00 0.00 C ATOM 1314 C SER A 90 -15.696 -9.559 1.406 1.00 0.00 C ATOM 1315 O SER A 90 -15.075 -8.498 1.437 1.00 0.00 O ATOM 1316 CB SER A 90 -14.525 -11.661 2.091 1.00 0.00 C ATOM 1317 OG SER A 90 -13.449 -11.005 2.739 1.00 0.00 O ATOM 0 H SER A 90 -13.012 -10.668 0.389 1.00 0.00 H new ATOM 0 HA SER A 90 -15.780 -11.423 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.336 -11.824 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.201 -12.643 1.745 1.00 0.00 H new ATOM 0 HG SER A 90 -13.141 -11.549 3.494 1.00 0.00 H new ATOM 1323 N GLY A 91 -16.962 -9.667 1.798 1.00 0.00 N ATOM 1324 CA GLY A 91 -17.687 -8.511 2.292 1.00 0.00 C ATOM 1325 C GLY A 91 -18.724 -8.012 1.305 1.00 0.00 C ATOM 1326 O GLY A 91 -18.962 -6.809 1.200 1.00 0.00 O ATOM 0 H GLY A 91 -17.498 -10.534 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -18.177 -8.768 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.981 -7.709 2.510 1.00 0.00 H new TER 1330 GLY A 91