USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 758 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -1.14 USER MOD Set 2.1: A 58 SER OG : rot -116:sc= 0.623 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.375 X(o=0.25,f=-0.22) USER MOD Set 3.1: A 38 GLN : amide:sc= -1.85 K(o=-4.3,f=-1.2) USER MOD Set 3.2: A 42 MET CE :methyl -135:sc= -2.44 (180deg=-0.839) USER MOD Set 4.1: A 22 TYR OH : rot 180:sc= -0.0262 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 12:sc= 0.936 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -39:sc= 0.131 USER MOD Single : A 23 MET CE :methyl 168:sc= -0.417 (180deg=-0.738) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.305 X(o=-0.31,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.0891 X(o=-0.089,f=-0.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -155:sc= 0.516 USER MOD Single : A 62 ASN : amide:sc= -0.0455 K(o=-0.046,f=-0.55) USER MOD Single : A 63 SER OG : rot -54:sc= 0.436 USER MOD Single : A 71 ASN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.17 K(o=-2.2,f=-13!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 87 HIS : no HD1:sc= -9.08! C(o=-9.1!,f=-12!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-1.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -41:sc= 0.369 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0921 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.330 12.841 -4.181 1.00 0.00 N ATOM 106 CA ALA A 11 -4.221 11.407 -4.412 1.00 0.00 C ATOM 107 C ALA A 11 -4.931 11.002 -5.700 1.00 0.00 C ATOM 108 O ALA A 11 -6.152 10.847 -5.724 1.00 0.00 O ATOM 109 CB ALA A 11 -4.790 10.637 -3.230 1.00 0.00 C ATOM 0 HA ALA A 11 -3.164 11.161 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.702 9.567 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.236 10.895 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.840 10.897 -3.098 1.00 0.00 H new ATOM 115 N ARG A 12 -4.159 10.835 -6.769 1.00 0.00 N ATOM 116 CA ARG A 12 -4.715 10.451 -8.060 1.00 0.00 C ATOM 117 C ARG A 12 -3.926 9.296 -8.670 1.00 0.00 C ATOM 118 O ARG A 12 -2.914 9.506 -9.339 1.00 0.00 O ATOM 119 CB ARG A 12 -4.713 11.645 -9.016 1.00 0.00 C ATOM 120 CG ARG A 12 -5.839 12.633 -8.760 1.00 0.00 C ATOM 121 CD ARG A 12 -7.176 12.089 -9.237 1.00 0.00 C ATOM 122 NE ARG A 12 -7.402 12.358 -10.655 1.00 0.00 N ATOM 123 CZ ARG A 12 -7.906 13.497 -11.116 1.00 0.00 C ATOM 124 NH1 ARG A 12 -8.236 14.468 -10.276 1.00 0.00 N ATOM 125 NH2 ARG A 12 -8.082 13.666 -12.420 1.00 0.00 N ATOM 0 H ARG A 12 -3.147 10.960 -6.766 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.742 10.123 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.759 12.165 -8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.788 11.280 -10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.895 12.855 -7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.624 13.572 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.213 11.014 -9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.979 12.536 -8.651 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.159 11.631 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.103 14.341 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.623 15.342 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.830 12.921 -13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.469 14.541 -12.773 1.00 0.00 H new ATOM 139 N PHE A 13 -4.396 8.075 -8.434 1.00 0.00 N ATOM 140 CA PHE A 13 -3.734 6.887 -8.958 1.00 0.00 C ATOM 141 C PHE A 13 -4.709 5.717 -9.052 1.00 0.00 C ATOM 142 O PHE A 13 -5.899 5.863 -8.771 1.00 0.00 O ATOM 143 CB PHE A 13 -2.547 6.505 -8.071 1.00 0.00 C ATOM 144 CG PHE A 13 -2.938 6.154 -6.664 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.361 7.136 -5.783 1.00 0.00 C ATOM 146 CD2 PHE A 13 -2.883 4.842 -6.223 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.721 6.816 -4.488 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.243 4.515 -4.929 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.663 5.504 -4.060 1.00 0.00 C ATOM 0 H PHE A 13 -5.233 7.883 -7.883 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.372 7.117 -9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.028 5.657 -8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.840 7.334 -8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.410 8.163 -6.112 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.555 4.065 -6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.048 7.591 -3.811 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.196 3.488 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.945 5.252 -3.049 1.00 0.00 H new ATOM 159 N ASP A 14 -4.197 4.558 -9.450 1.00 0.00 N ATOM 160 CA ASP A 14 -5.022 3.362 -9.581 1.00 0.00 C ATOM 161 C ASP A 14 -4.617 2.307 -8.557 1.00 0.00 C ATOM 162 O ASP A 14 -3.765 1.461 -8.827 1.00 0.00 O ATOM 163 CB ASP A 14 -4.907 2.789 -10.995 1.00 0.00 C ATOM 164 CG ASP A 14 -5.439 3.740 -12.050 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.669 3.762 -12.261 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.624 4.460 -12.665 1.00 0.00 O ATOM 0 H ASP A 14 -3.215 4.421 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.058 3.644 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.862 2.562 -11.208 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.455 1.848 -11.048 1.00 0.00 H new ATOM 171 N SER A 15 -5.232 2.366 -7.380 1.00 0.00 N ATOM 172 CA SER A 15 -4.931 1.418 -6.312 1.00 0.00 C ATOM 173 C SER A 15 -5.140 -0.017 -6.786 1.00 0.00 C ATOM 174 O SER A 15 -4.542 -0.951 -6.252 1.00 0.00 O ATOM 175 CB SER A 15 -5.809 1.698 -5.091 1.00 0.00 C ATOM 176 OG SER A 15 -5.445 2.918 -4.469 1.00 0.00 O ATOM 0 H SER A 15 -5.941 3.059 -7.141 1.00 0.00 H new ATOM 0 HA SER A 15 -3.884 1.541 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.855 1.739 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.715 0.880 -4.377 1.00 0.00 H new ATOM 0 HG SER A 15 -4.835 3.414 -5.054 1.00 0.00 H new ATOM 182 N SER A 16 -5.993 -0.184 -7.791 1.00 0.00 N ATOM 183 CA SER A 16 -6.285 -1.505 -8.335 1.00 0.00 C ATOM 184 C SER A 16 -5.126 -2.008 -9.191 1.00 0.00 C ATOM 185 O SER A 16 -4.789 -3.192 -9.164 1.00 0.00 O ATOM 186 CB SER A 16 -7.568 -1.466 -9.166 1.00 0.00 C ATOM 187 OG SER A 16 -8.705 -1.725 -8.361 1.00 0.00 O ATOM 0 H SER A 16 -6.494 0.579 -8.245 1.00 0.00 H new ATOM 0 HA SER A 16 -6.423 -2.192 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.669 -0.489 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.509 -2.204 -9.966 1.00 0.00 H new ATOM 0 HG SER A 16 -9.513 -1.693 -8.915 1.00 0.00 H new ATOM 193 N ASP A 17 -4.521 -1.100 -9.949 1.00 0.00 N ATOM 194 CA ASP A 17 -3.400 -1.450 -10.813 1.00 0.00 C ATOM 195 C ASP A 17 -2.142 -1.711 -9.991 1.00 0.00 C ATOM 196 O ASP A 17 -1.565 -0.791 -9.411 1.00 0.00 O ATOM 197 CB ASP A 17 -3.140 -0.333 -11.825 1.00 0.00 C ATOM 198 CG ASP A 17 -2.154 -0.744 -12.900 1.00 0.00 C ATOM 199 OD1 ASP A 17 -0.938 -0.539 -12.700 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.597 -1.271 -13.942 1.00 0.00 O ATOM 0 H ASP A 17 -4.788 -0.116 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.658 -2.363 -11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.081 -0.043 -12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.759 0.545 -11.303 1.00 0.00 H new ATOM 205 N ARG A 18 -1.722 -2.971 -9.945 1.00 0.00 N ATOM 206 CA ARG A 18 -0.534 -3.354 -9.192 1.00 0.00 C ATOM 207 C ARG A 18 0.730 -2.823 -9.863 1.00 0.00 C ATOM 208 O ARG A 18 1.685 -2.435 -9.192 1.00 0.00 O ATOM 209 CB ARG A 18 -0.454 -4.876 -9.062 1.00 0.00 C ATOM 210 CG ARG A 18 -1.188 -5.423 -7.849 1.00 0.00 C ATOM 211 CD ARG A 18 -1.740 -6.815 -8.113 1.00 0.00 C ATOM 212 NE ARG A 18 -3.078 -6.772 -8.697 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.190 -6.655 -7.979 1.00 0.00 C ATOM 214 NH1 ARG A 18 -4.123 -6.569 -6.657 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.371 -6.623 -8.583 1.00 0.00 N ATOM 0 H ARG A 18 -2.187 -3.744 -10.421 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.609 -2.915 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.867 -5.331 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.593 -5.173 -9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.510 -5.455 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.004 -4.751 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.068 -7.350 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.770 -7.376 -7.179 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.164 -6.835 -9.711 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.217 -6.593 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.978 -6.479 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.426 -6.688 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.224 -6.533 -8.031 1.00 0.00 H new ATOM 229 N SER A 19 0.726 -2.810 -11.192 1.00 0.00 N ATOM 230 CA SER A 19 1.873 -2.331 -11.955 1.00 0.00 C ATOM 231 C SER A 19 2.084 -0.836 -11.738 1.00 0.00 C ATOM 232 O SER A 19 3.042 -0.253 -12.245 1.00 0.00 O ATOM 233 CB SER A 19 1.678 -2.620 -13.445 1.00 0.00 C ATOM 234 OG SER A 19 2.904 -2.518 -14.149 1.00 0.00 O ATOM 0 H SER A 19 -0.058 -3.126 -11.763 1.00 0.00 H new ATOM 0 HA SER A 19 2.759 -2.860 -11.603 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.263 -3.620 -13.574 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.956 -1.919 -13.863 1.00 0.00 H new ATOM 0 HG SER A 19 3.421 -1.763 -13.798 1.00 0.00 H new ATOM 240 N ALA A 20 1.181 -0.221 -10.981 1.00 0.00 N ATOM 241 CA ALA A 20 1.268 1.205 -10.694 1.00 0.00 C ATOM 242 C ALA A 20 1.823 1.451 -9.296 1.00 0.00 C ATOM 243 O ALA A 20 2.450 2.479 -9.039 1.00 0.00 O ATOM 244 CB ALA A 20 -0.098 1.858 -10.845 1.00 0.00 C ATOM 0 H ALA A 20 0.381 -0.689 -10.555 1.00 0.00 H new ATOM 0 HA ALA A 20 1.954 1.654 -11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.018 2.923 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.456 1.722 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.800 1.398 -10.150 1.00 0.00 H new ATOM 250 N TRP A 21 1.587 0.504 -8.396 1.00 0.00 N ATOM 251 CA TRP A 21 2.064 0.619 -7.022 1.00 0.00 C ATOM 252 C TRP A 21 2.818 -0.637 -6.600 1.00 0.00 C ATOM 253 O TRP A 21 3.889 -0.556 -5.999 1.00 0.00 O ATOM 254 CB TRP A 21 0.890 0.866 -6.073 1.00 0.00 C ATOM 255 CG TRP A 21 -0.263 -0.065 -6.298 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.374 0.174 -7.055 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.418 -1.382 -5.759 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.210 -0.915 -7.020 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.646 -1.884 -6.232 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.362 -2.188 -4.925 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.111 -3.153 -5.897 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.101 -3.447 -4.593 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.327 -3.920 -5.079 1.00 0.00 C ATOM 0 H TRP A 21 1.068 -0.352 -8.592 1.00 0.00 H new ATOM 0 HA TRP A 21 2.749 1.465 -6.971 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.236 0.762 -5.044 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.546 1.894 -6.192 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.567 1.086 -7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.106 -0.990 -7.502 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.309 -1.833 -4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.056 -3.519 -6.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.493 -4.077 -3.948 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.660 -4.910 -4.802 1.00 0.00 H new ATOM 274 N TYR A 22 2.254 -1.796 -6.920 1.00 0.00 N ATOM 275 CA TYR A 22 2.874 -3.070 -6.572 1.00 0.00 C ATOM 276 C TYR A 22 4.307 -3.137 -7.090 1.00 0.00 C ATOM 277 O TYR A 22 4.553 -3.005 -8.288 1.00 0.00 O ATOM 278 CB TYR A 22 2.058 -4.231 -7.143 1.00 0.00 C ATOM 279 CG TYR A 22 2.382 -5.566 -6.512 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.439 -5.710 -5.132 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.631 -6.685 -7.298 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.736 -6.928 -4.552 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.927 -7.908 -6.727 1.00 0.00 C ATOM 284 CZ TYR A 22 2.979 -8.024 -5.353 1.00 0.00 C ATOM 285 OH TYR A 22 3.273 -9.239 -4.779 1.00 0.00 O ATOM 0 H TYR A 22 1.369 -1.880 -7.420 1.00 0.00 H new ATOM 0 HA TYR A 22 2.896 -3.150 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.997 -4.021 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.233 -4.294 -8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.248 -4.855 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.592 -6.597 -8.374 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.778 -7.021 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.117 -8.768 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 22 3.416 -9.907 -5.482 1.00 0.00 H new ATOM 295 N MET A 23 5.250 -3.345 -6.177 1.00 0.00 N ATOM 296 CA MET A 23 6.660 -3.433 -6.540 1.00 0.00 C ATOM 297 C MET A 23 7.132 -4.883 -6.539 1.00 0.00 C ATOM 298 O MET A 23 8.274 -5.174 -6.893 1.00 0.00 O ATOM 299 CB MET A 23 7.510 -2.606 -5.573 1.00 0.00 C ATOM 300 CG MET A 23 7.061 -1.159 -5.453 1.00 0.00 C ATOM 301 SD MET A 23 7.742 -0.110 -6.752 1.00 0.00 S ATOM 302 CE MET A 23 6.369 1.002 -7.045 1.00 0.00 C ATOM 0 H MET A 23 5.063 -3.456 -5.180 1.00 0.00 H new ATOM 0 HA MET A 23 6.776 -3.033 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.479 -3.070 -4.587 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.548 -2.629 -5.904 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.972 -1.116 -5.490 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.362 -0.769 -4.481 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.702 1.837 -7.662 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.570 0.467 -7.559 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.998 1.381 -6.093 1.00 0.00 H new ATOM 312 N GLY A 24 6.246 -5.789 -6.140 1.00 0.00 N ATOM 313 CA GLY A 24 6.592 -7.198 -6.100 1.00 0.00 C ATOM 314 C GLY A 24 8.069 -7.426 -5.852 1.00 0.00 C ATOM 315 O GLY A 24 8.523 -7.508 -4.710 1.00 0.00 O ATOM 0 H GLY A 24 5.294 -5.573 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.015 -7.688 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.309 -7.665 -7.043 1.00 0.00 H new ATOM 319 N PRO A 25 8.847 -7.532 -6.940 1.00 0.00 N ATOM 320 CA PRO A 25 10.294 -7.754 -6.860 1.00 0.00 C ATOM 321 C PRO A 25 11.039 -6.535 -6.327 1.00 0.00 C ATOM 322 O PRO A 25 11.631 -5.773 -7.091 1.00 0.00 O ATOM 323 CB PRO A 25 10.690 -8.030 -8.313 1.00 0.00 C ATOM 324 CG PRO A 25 9.646 -7.349 -9.127 1.00 0.00 C ATOM 325 CD PRO A 25 8.373 -7.443 -8.331 1.00 0.00 C ATOM 0 HA PRO A 25 10.546 -8.563 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.683 -7.637 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.717 -9.100 -8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.914 -6.309 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.535 -7.829 -10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.738 -6.571 -8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.787 -8.318 -8.613 1.00 0.00 H new ATOM 333 N VAL A 26 11.006 -6.357 -5.010 1.00 0.00 N ATOM 334 CA VAL A 26 11.680 -5.231 -4.374 1.00 0.00 C ATOM 335 C VAL A 26 11.986 -5.529 -2.911 1.00 0.00 C ATOM 336 O VAL A 26 11.145 -6.058 -2.185 1.00 0.00 O ATOM 337 CB VAL A 26 10.831 -3.948 -4.458 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.373 -2.886 -3.515 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.787 -3.432 -5.888 1.00 0.00 C ATOM 0 H VAL A 26 10.520 -6.978 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 26 12.614 -5.076 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 26 9.813 -4.186 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.760 -1.987 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.347 -3.260 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.401 -2.648 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.183 -2.525 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.799 -3.210 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.347 -4.191 -6.535 1.00 0.00 H new ATOM 349 N SER A 27 13.197 -5.185 -2.484 1.00 0.00 N ATOM 350 CA SER A 27 13.617 -5.419 -1.107 1.00 0.00 C ATOM 351 C SER A 27 13.449 -4.157 -0.266 1.00 0.00 C ATOM 352 O SER A 27 13.101 -3.096 -0.783 1.00 0.00 O ATOM 353 CB SER A 27 15.074 -5.882 -1.067 1.00 0.00 C ATOM 354 OG SER A 27 15.167 -7.288 -1.225 1.00 0.00 O ATOM 0 H SER A 27 13.904 -4.743 -3.071 1.00 0.00 H new ATOM 0 HA SER A 27 12.984 -6.201 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.638 -5.386 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.526 -5.589 -0.120 1.00 0.00 H new ATOM 0 HG SER A 27 16.108 -7.559 -1.198 1.00 0.00 H new ATOM 360 N ARG A 28 13.700 -4.282 1.033 1.00 0.00 N ATOM 361 CA ARG A 28 13.577 -3.153 1.947 1.00 0.00 C ATOM 362 C ARG A 28 14.570 -2.051 1.588 1.00 0.00 C ATOM 363 O ARG A 28 14.210 -0.877 1.519 1.00 0.00 O ATOM 364 CB ARG A 28 13.804 -3.609 3.389 1.00 0.00 C ATOM 365 CG ARG A 28 13.484 -2.542 4.423 1.00 0.00 C ATOM 366 CD ARG A 28 14.316 -2.721 5.684 1.00 0.00 C ATOM 367 NE ARG A 28 13.755 -1.991 6.818 1.00 0.00 N ATOM 368 CZ ARG A 28 14.322 -1.951 8.019 1.00 0.00 C ATOM 369 NH1 ARG A 28 15.458 -2.596 8.241 1.00 0.00 N ATOM 370 NH2 ARG A 28 13.751 -1.264 9.000 1.00 0.00 N ATOM 0 H ARG A 28 13.990 -5.154 1.476 1.00 0.00 H new ATOM 0 HA ARG A 28 12.567 -2.752 1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.189 -4.488 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.844 -3.915 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.671 -1.555 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.425 -2.585 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.378 -3.781 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.334 -2.377 5.499 1.00 0.00 H new ATOM 0 HE ARG A 28 12.880 -1.484 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.900 -3.125 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.891 -2.563 9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.877 -0.766 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.186 -1.233 9.922 1.00 0.00 H new ATOM 384 N GLN A 29 15.821 -2.441 1.362 1.00 0.00 N ATOM 385 CA GLN A 29 16.865 -1.486 1.012 1.00 0.00 C ATOM 386 C GLN A 29 16.470 -0.672 -0.216 1.00 0.00 C ATOM 387 O GLN A 29 16.784 0.513 -0.314 1.00 0.00 O ATOM 388 CB GLN A 29 18.185 -2.214 0.752 1.00 0.00 C ATOM 389 CG GLN A 29 18.116 -3.208 -0.396 1.00 0.00 C ATOM 390 CD GLN A 29 19.445 -3.889 -0.659 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.067 -4.434 0.253 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.887 -3.862 -1.911 1.00 0.00 N ATOM 0 H GLN A 29 16.135 -3.410 1.415 1.00 0.00 H new ATOM 0 HA GLN A 29 16.993 -0.803 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.960 -1.478 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.485 -2.739 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.363 -3.964 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.791 -2.692 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.339 -3.399 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.775 -4.304 -2.148 1.00 0.00 H new ATOM 401 N GLU A 30 15.780 -1.318 -1.151 1.00 0.00 N ATOM 402 CA GLU A 30 15.344 -0.654 -2.374 1.00 0.00 C ATOM 403 C GLU A 30 14.157 0.265 -2.099 1.00 0.00 C ATOM 404 O GLU A 30 14.257 1.484 -2.236 1.00 0.00 O ATOM 405 CB GLU A 30 14.967 -1.688 -3.436 1.00 0.00 C ATOM 406 CG GLU A 30 14.743 -1.091 -4.815 1.00 0.00 C ATOM 407 CD GLU A 30 15.043 -2.072 -5.932 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.719 -3.268 -5.774 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.601 -1.644 -6.964 1.00 0.00 O ATOM 0 H GLU A 30 15.511 -2.300 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 30 16.172 -0.050 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.756 -2.437 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.060 -2.205 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.709 -0.757 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.373 -0.209 -4.932 1.00 0.00 H new ATOM 416 N ALA A 31 13.033 -0.329 -1.711 1.00 0.00 N ATOM 417 CA ALA A 31 11.827 0.435 -1.416 1.00 0.00 C ATOM 418 C ALA A 31 12.162 1.722 -0.670 1.00 0.00 C ATOM 419 O ALA A 31 11.455 2.722 -0.792 1.00 0.00 O ATOM 420 CB ALA A 31 10.853 -0.408 -0.607 1.00 0.00 C ATOM 0 H ALA A 31 12.933 -1.337 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 31 11.357 0.706 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.957 0.175 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.581 -1.297 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.322 -0.708 0.330 1.00 0.00 H new ATOM 426 N GLN A 32 13.243 1.689 0.103 1.00 0.00 N ATOM 427 CA GLN A 32 13.669 2.853 0.870 1.00 0.00 C ATOM 428 C GLN A 32 14.227 3.935 -0.048 1.00 0.00 C ATOM 429 O GLN A 32 13.840 5.101 0.040 1.00 0.00 O ATOM 430 CB GLN A 32 14.723 2.451 1.904 1.00 0.00 C ATOM 431 CG GLN A 32 14.132 1.986 3.225 1.00 0.00 C ATOM 432 CD GLN A 32 15.068 2.217 4.396 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.800 1.317 4.807 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.048 3.428 4.940 1.00 0.00 N ATOM 0 H GLN A 32 13.839 0.869 0.214 1.00 0.00 H new ATOM 0 HA GLN A 32 12.798 3.255 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.340 1.653 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.381 3.300 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.194 2.512 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.894 0.924 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.425 4.144 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.656 3.642 5.731 1.00 0.00 H new ATOM 443 N THR A 33 15.140 3.542 -0.931 1.00 0.00 N ATOM 444 CA THR A 33 15.753 4.478 -1.865 1.00 0.00 C ATOM 445 C THR A 33 14.702 5.143 -2.747 1.00 0.00 C ATOM 446 O THR A 33 14.912 6.243 -3.257 1.00 0.00 O ATOM 447 CB THR A 33 16.792 3.779 -2.762 1.00 0.00 C ATOM 448 OG1 THR A 33 17.561 4.754 -3.474 1.00 0.00 O ATOM 449 CG2 THR A 33 16.111 2.843 -3.749 1.00 0.00 C ATOM 0 H THR A 33 15.471 2.581 -1.019 1.00 0.00 H new ATOM 0 HA THR A 33 16.255 5.238 -1.266 1.00 0.00 H new ATOM 0 HB THR A 33 17.453 3.192 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.220 4.301 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.864 2.361 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.551 2.084 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.429 3.413 -4.380 1.00 0.00 H new ATOM 457 N ARG A 34 13.571 4.468 -2.922 1.00 0.00 N ATOM 458 CA ARG A 34 12.487 4.993 -3.743 1.00 0.00 C ATOM 459 C ARG A 34 11.650 6.000 -2.959 1.00 0.00 C ATOM 460 O ARG A 34 11.134 6.966 -3.522 1.00 0.00 O ATOM 461 CB ARG A 34 11.598 3.853 -4.242 1.00 0.00 C ATOM 462 CG ARG A 34 12.348 2.552 -4.474 1.00 0.00 C ATOM 463 CD ARG A 34 11.584 1.627 -5.408 1.00 0.00 C ATOM 464 NE ARG A 34 11.872 1.907 -6.812 1.00 0.00 N ATOM 465 CZ ARG A 34 11.138 2.719 -7.565 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.078 3.327 -7.050 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.463 2.924 -8.835 1.00 0.00 N ATOM 0 H ARG A 34 13.381 3.556 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 34 12.928 5.502 -4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.803 3.680 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.120 4.158 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.330 2.767 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.514 2.051 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.842 0.592 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.514 1.734 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 34 12.681 1.454 -7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.825 3.172 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.516 3.950 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.277 2.458 -9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.898 3.548 -9.412 1.00 0.00 H new ATOM 481 N LEU A 35 11.519 5.767 -1.658 1.00 0.00 N ATOM 482 CA LEU A 35 10.745 6.653 -0.796 1.00 0.00 C ATOM 483 C LEU A 35 11.660 7.457 0.121 1.00 0.00 C ATOM 484 O LEU A 35 11.195 8.134 1.038 1.00 0.00 O ATOM 485 CB LEU A 35 9.750 5.844 0.038 1.00 0.00 C ATOM 486 CG LEU A 35 8.879 4.851 -0.732 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.139 3.933 0.228 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.896 5.590 -1.630 1.00 0.00 C ATOM 0 H LEU A 35 11.939 4.972 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 35 10.196 7.349 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.306 5.295 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.095 6.540 0.562 1.00 0.00 H new ATOM 0 HG LEU A 35 9.527 4.239 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.524 3.233 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.859 3.379 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.502 4.528 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.284 4.868 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.254 6.226 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.446 6.205 -2.342 1.00 0.00 H new ATOM 500 N GLN A 36 12.962 7.379 -0.134 1.00 0.00 N ATOM 501 CA GLN A 36 13.942 8.102 0.669 1.00 0.00 C ATOM 502 C GLN A 36 14.177 9.501 0.110 1.00 0.00 C ATOM 503 O GLN A 36 14.825 9.668 -0.922 1.00 0.00 O ATOM 504 CB GLN A 36 15.261 7.330 0.717 1.00 0.00 C ATOM 505 CG GLN A 36 16.423 8.145 1.263 1.00 0.00 C ATOM 506 CD GLN A 36 16.393 8.261 2.775 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.184 7.626 3.473 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.479 9.076 3.288 1.00 0.00 N ATOM 0 H GLN A 36 13.363 6.823 -0.889 1.00 0.00 H new ATOM 0 HA GLN A 36 13.548 8.197 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.130 6.441 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.509 6.987 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.362 7.684 0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.400 9.143 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.844 9.583 2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.412 9.196 4.299 1.00 0.00 H new ATOM 517 N GLY A 37 13.646 10.506 0.801 1.00 0.00 N ATOM 518 CA GLY A 37 13.809 11.878 0.358 1.00 0.00 C ATOM 519 C GLY A 37 12.683 12.332 -0.550 1.00 0.00 C ATOM 520 O GLY A 37 12.572 13.516 -0.867 1.00 0.00 O ATOM 0 H GLY A 37 13.106 10.394 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.857 12.534 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.758 11.976 -0.169 1.00 0.00 H new ATOM 524 N GLN A 38 11.847 11.389 -0.971 1.00 0.00 N ATOM 525 CA GLN A 38 10.725 11.699 -1.850 1.00 0.00 C ATOM 526 C GLN A 38 9.671 12.522 -1.117 1.00 0.00 C ATOM 527 O GLN A 38 9.656 12.576 0.113 1.00 0.00 O ATOM 528 CB GLN A 38 10.101 10.410 -2.388 1.00 0.00 C ATOM 529 CG GLN A 38 10.915 9.754 -3.492 1.00 0.00 C ATOM 530 CD GLN A 38 11.325 10.733 -4.574 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.486 11.135 -4.656 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.373 11.121 -5.414 1.00 0.00 N ATOM 0 H GLN A 38 11.925 10.404 -0.718 1.00 0.00 H new ATOM 0 HA GLN A 38 11.102 12.288 -2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.982 9.703 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.103 10.630 -2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.807 9.301 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.332 8.948 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.424 10.763 -5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.591 11.777 -6.164 1.00 0.00 H new ATOM 541 N ARG A 39 8.791 13.161 -1.881 1.00 0.00 N ATOM 542 CA ARG A 39 7.734 13.983 -1.304 1.00 0.00 C ATOM 543 C ARG A 39 6.815 13.145 -0.419 1.00 0.00 C ATOM 544 O ARG A 39 6.561 11.974 -0.703 1.00 0.00 O ATOM 545 CB ARG A 39 6.919 14.654 -2.411 1.00 0.00 C ATOM 546 CG ARG A 39 6.245 13.670 -3.354 1.00 0.00 C ATOM 547 CD ARG A 39 5.273 14.371 -4.290 1.00 0.00 C ATOM 548 NE ARG A 39 5.962 15.059 -5.379 1.00 0.00 N ATOM 549 CZ ARG A 39 6.578 14.429 -6.373 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.591 13.104 -6.416 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.183 15.124 -7.327 1.00 0.00 N ATOM 0 H ARG A 39 8.789 13.125 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 39 8.201 14.752 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.158 15.288 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.574 15.306 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.002 13.148 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.713 12.915 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.578 13.641 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.680 15.090 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 39 5.971 16.079 -5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.127 12.565 -5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.065 12.623 -7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.176 16.144 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.656 14.639 -8.090 1.00 0.00 H new ATOM 565 N HIS A 40 6.322 13.752 0.655 1.00 0.00 N ATOM 566 CA HIS A 40 5.432 13.062 1.582 1.00 0.00 C ATOM 567 C HIS A 40 4.190 12.547 0.862 1.00 0.00 C ATOM 568 O HIS A 40 3.627 13.231 0.007 1.00 0.00 O ATOM 569 CB HIS A 40 5.024 13.997 2.722 1.00 0.00 C ATOM 570 CG HIS A 40 6.071 14.140 3.783 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.009 15.093 4.778 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.211 13.443 4.002 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.066 14.977 5.562 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.811 13.983 5.113 1.00 0.00 N ATOM 0 H HIS A 40 6.523 14.720 0.905 1.00 0.00 H new ATOM 0 HA HIS A 40 5.970 12.209 1.996 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.798 14.981 2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.106 13.623 3.177 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.264 15.780 4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.580 12.616 3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.284 15.591 6.424 1.00 0.00 H new ATOM 583 N GLY A 41 3.767 11.336 1.212 1.00 0.00 N ATOM 584 CA GLY A 41 2.595 10.750 0.588 1.00 0.00 C ATOM 585 C GLY A 41 2.924 9.499 -0.202 1.00 0.00 C ATOM 586 O GLY A 41 2.248 8.479 -0.070 1.00 0.00 O ATOM 0 H GLY A 41 4.215 10.750 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.861 10.508 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.134 11.483 -0.074 1.00 0.00 H new ATOM 590 N MET A 42 3.963 9.578 -1.027 1.00 0.00 N ATOM 591 CA MET A 42 4.378 8.442 -1.842 1.00 0.00 C ATOM 592 C MET A 42 4.209 7.133 -1.078 1.00 0.00 C ATOM 593 O MET A 42 4.264 7.109 0.152 1.00 0.00 O ATOM 594 CB MET A 42 5.836 8.606 -2.278 1.00 0.00 C ATOM 595 CG MET A 42 6.207 7.762 -3.487 1.00 0.00 C ATOM 596 SD MET A 42 7.761 8.278 -4.243 1.00 0.00 S ATOM 597 CE MET A 42 7.316 9.901 -4.857 1.00 0.00 C ATOM 0 H MET A 42 4.532 10.416 -1.149 1.00 0.00 H new ATOM 0 HA MET A 42 3.742 8.410 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.023 9.655 -2.507 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.488 8.340 -1.446 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.283 6.717 -3.186 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.409 7.824 -4.227 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.689 10.020 -5.874 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.231 10.006 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.756 10.665 -4.217 1.00 0.00 H new ATOM 607 N PHE A 43 4.002 6.046 -1.813 1.00 0.00 N ATOM 608 CA PHE A 43 3.823 4.733 -1.204 1.00 0.00 C ATOM 609 C PHE A 43 4.159 3.623 -2.195 1.00 0.00 C ATOM 610 O PHE A 43 4.322 3.871 -3.391 1.00 0.00 O ATOM 611 CB PHE A 43 2.385 4.570 -0.707 1.00 0.00 C ATOM 612 CG PHE A 43 1.414 4.196 -1.790 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.229 2.870 -2.145 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.687 5.171 -2.454 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.337 2.523 -3.142 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.207 4.830 -3.452 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.382 3.504 -3.796 1.00 0.00 C ATOM 0 H PHE A 43 3.954 6.048 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 43 4.504 4.657 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.362 3.806 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.061 5.503 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.788 2.098 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.820 6.209 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.202 1.485 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.768 5.599 -3.962 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.080 3.235 -4.575 1.00 0.00 H new ATOM 627 N LEU A 44 4.261 2.398 -1.690 1.00 0.00 N ATOM 628 CA LEU A 44 4.578 1.249 -2.530 1.00 0.00 C ATOM 629 C LEU A 44 4.392 -0.055 -1.761 1.00 0.00 C ATOM 630 O LEU A 44 4.688 -0.134 -0.569 1.00 0.00 O ATOM 631 CB LEU A 44 6.015 1.349 -3.045 1.00 0.00 C ATOM 632 CG LEU A 44 7.116 1.068 -2.021 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.368 -0.427 -1.905 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.396 1.798 -2.401 1.00 0.00 C ATOM 0 H LEU A 44 4.129 2.176 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 44 3.894 1.251 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.132 0.652 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.167 2.351 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 44 6.785 1.436 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.154 -0.608 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.453 -0.927 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.677 -0.820 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.169 1.587 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.730 1.460 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.207 2.871 -2.432 1.00 0.00 H new ATOM 646 N VAL A 45 3.899 -1.079 -2.453 1.00 0.00 N ATOM 647 CA VAL A 45 3.676 -2.381 -1.836 1.00 0.00 C ATOM 648 C VAL A 45 4.539 -3.454 -2.490 1.00 0.00 C ATOM 649 O VAL A 45 4.294 -3.852 -3.629 1.00 0.00 O ATOM 650 CB VAL A 45 2.197 -2.800 -1.929 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.970 -4.124 -1.216 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.299 -1.715 -1.354 1.00 0.00 C ATOM 0 H VAL A 45 3.647 -1.031 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 45 3.954 -2.286 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 45 1.941 -2.933 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.919 -4.403 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.585 -4.896 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.243 -4.023 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.257 -2.028 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.554 -1.548 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.441 -0.791 -1.914 1.00 0.00 H new ATOM 662 N ARG A 46 5.549 -3.918 -1.762 1.00 0.00 N ATOM 663 CA ARG A 46 6.449 -4.945 -2.272 1.00 0.00 C ATOM 664 C ARG A 46 6.252 -6.261 -1.525 1.00 0.00 C ATOM 665 O ARG A 46 5.653 -6.292 -0.450 1.00 0.00 O ATOM 666 CB ARG A 46 7.903 -4.487 -2.145 1.00 0.00 C ATOM 667 CG ARG A 46 8.301 -4.106 -0.729 1.00 0.00 C ATOM 668 CD ARG A 46 9.758 -3.676 -0.656 1.00 0.00 C ATOM 669 NE ARG A 46 10.361 -4.003 0.634 1.00 0.00 N ATOM 670 CZ ARG A 46 10.606 -5.245 1.037 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.301 -6.271 0.255 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.157 -5.462 2.224 1.00 0.00 N ATOM 0 H ARG A 46 5.765 -3.599 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 46 6.216 -5.107 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.558 -5.285 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.064 -3.632 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.663 -3.295 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.137 -4.953 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.320 -4.163 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.828 -2.602 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 46 10.607 -3.236 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.877 -6.108 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.490 -7.224 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.393 -4.675 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.345 -6.416 2.532 1.00 0.00 H new ATOM 686 N ASP A 47 6.760 -7.345 -2.101 1.00 0.00 N ATOM 687 CA ASP A 47 6.640 -8.663 -1.490 1.00 0.00 C ATOM 688 C ASP A 47 7.453 -8.740 -0.201 1.00 0.00 C ATOM 689 O ASP A 47 8.674 -8.590 -0.215 1.00 0.00 O ATOM 690 CB ASP A 47 7.105 -9.745 -2.465 1.00 0.00 C ATOM 691 CG ASP A 47 7.179 -11.115 -1.819 1.00 0.00 C ATOM 692 OD1 ASP A 47 8.166 -11.379 -1.099 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.251 -11.922 -2.032 1.00 0.00 O ATOM 0 H ASP A 47 7.259 -7.337 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 47 5.590 -8.830 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.422 -9.783 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.086 -9.478 -2.858 1.00 0.00 H new ATOM 698 N SER A 48 6.766 -8.974 0.913 1.00 0.00 N ATOM 699 CA SER A 48 7.423 -9.066 2.211 1.00 0.00 C ATOM 700 C SER A 48 8.597 -10.038 2.158 1.00 0.00 C ATOM 701 O SER A 48 8.669 -10.895 1.277 1.00 0.00 O ATOM 702 CB SER A 48 6.425 -9.513 3.281 1.00 0.00 C ATOM 703 OG SER A 48 6.958 -9.335 4.582 1.00 0.00 O ATOM 0 H SER A 48 5.755 -9.103 0.942 1.00 0.00 H new ATOM 0 HA SER A 48 7.803 -8.077 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.501 -8.943 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.170 -10.562 3.129 1.00 0.00 H new ATOM 0 HG SER A 48 6.300 -9.626 5.248 1.00 0.00 H new ATOM 766 N ASP A 54 2.981 -12.580 3.126 1.00 0.00 N ATOM 767 CA ASP A 54 2.686 -11.287 3.732 1.00 0.00 C ATOM 768 C ASP A 54 3.209 -10.148 2.864 1.00 0.00 C ATOM 769 O ASP A 54 4.123 -10.335 2.060 1.00 0.00 O ATOM 770 CB ASP A 54 3.301 -11.204 5.130 1.00 0.00 C ATOM 771 CG ASP A 54 2.539 -12.028 6.149 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.292 -11.965 6.150 1.00 0.00 O ATOM 773 OD2 ASP A 54 3.190 -12.738 6.944 1.00 0.00 O ATOM 0 HA ASP A 54 1.603 -11.189 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.335 -11.547 5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.323 -10.163 5.453 1.00 0.00 H new ATOM 778 N TYR A 55 2.624 -8.967 3.031 1.00 0.00 N ATOM 779 CA TYR A 55 3.028 -7.798 2.259 1.00 0.00 C ATOM 780 C TYR A 55 3.538 -6.690 3.176 1.00 0.00 C ATOM 781 O TYR A 55 3.426 -6.779 4.399 1.00 0.00 O ATOM 782 CB TYR A 55 1.857 -7.283 1.421 1.00 0.00 C ATOM 783 CG TYR A 55 1.490 -8.193 0.271 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.424 -8.526 -0.702 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.209 -8.718 0.156 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.093 -9.356 -1.756 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.131 -9.550 -0.893 1.00 0.00 C ATOM 788 CZ TYR A 55 0.815 -9.866 -1.847 1.00 0.00 C ATOM 789 OH TYR A 55 0.480 -10.693 -2.894 1.00 0.00 O ATOM 0 H TYR A 55 1.869 -8.794 3.694 1.00 0.00 H new ATOM 0 HA TYR A 55 3.838 -8.096 1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.987 -7.157 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.108 -6.298 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.426 -8.129 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.534 -8.471 0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.831 -9.604 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.131 -9.951 -0.966 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.457 -10.965 -2.809 1.00 0.00 H new ATOM 799 N VAL A 56 4.097 -5.644 2.576 1.00 0.00 N ATOM 800 CA VAL A 56 4.622 -4.517 3.337 1.00 0.00 C ATOM 801 C VAL A 56 4.420 -3.205 2.586 1.00 0.00 C ATOM 802 O VAL A 56 5.046 -2.965 1.553 1.00 0.00 O ATOM 803 CB VAL A 56 6.122 -4.695 3.641 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.665 -3.480 4.377 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.354 -5.964 4.446 1.00 0.00 C ATOM 0 H VAL A 56 4.198 -5.554 1.565 1.00 0.00 H new ATOM 0 HA VAL A 56 4.069 -4.484 4.276 1.00 0.00 H new ATOM 0 HB VAL A 56 6.659 -4.787 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.726 -3.624 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.532 -2.591 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.127 -3.353 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.419 -6.075 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.807 -5.903 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.003 -6.825 3.877 1.00 0.00 H new ATOM 815 N LEU A 57 3.541 -2.358 3.112 1.00 0.00 N ATOM 816 CA LEU A 57 3.256 -1.069 2.493 1.00 0.00 C ATOM 817 C LEU A 57 4.147 0.024 3.074 1.00 0.00 C ATOM 818 O LEU A 57 4.023 0.383 4.245 1.00 0.00 O ATOM 819 CB LEU A 57 1.784 -0.701 2.690 1.00 0.00 C ATOM 820 CG LEU A 57 1.392 0.727 2.309 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.955 1.721 3.313 1.00 0.00 C ATOM 822 CD2 LEU A 57 1.874 1.055 0.903 1.00 0.00 C ATOM 0 H LEU A 57 3.014 -2.541 3.966 1.00 0.00 H new ATOM 0 HA LEU A 57 3.464 -1.152 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.176 -1.391 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.528 -0.859 3.738 1.00 0.00 H new ATOM 0 HG LEU A 57 0.305 0.802 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.666 2.732 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.561 1.499 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.042 1.645 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.586 2.075 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.959 0.962 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.422 0.363 0.193 1.00 0.00 H new ATOM 834 N SER A 58 5.045 0.550 2.247 1.00 0.00 N ATOM 835 CA SER A 58 5.958 1.602 2.679 1.00 0.00 C ATOM 836 C SER A 58 5.566 2.945 2.072 1.00 0.00 C ATOM 837 O SER A 58 5.162 3.021 0.911 1.00 0.00 O ATOM 838 CB SER A 58 7.395 1.251 2.287 1.00 0.00 C ATOM 839 OG SER A 58 7.750 -0.039 2.751 1.00 0.00 O ATOM 0 H SER A 58 5.160 0.265 1.274 1.00 0.00 H new ATOM 0 HA SER A 58 5.894 1.682 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.500 1.292 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.079 1.991 2.702 1.00 0.00 H new ATOM 0 HG SER A 58 8.474 0.037 3.407 1.00 0.00 H new ATOM 845 N VAL A 59 5.689 4.005 2.866 1.00 0.00 N ATOM 846 CA VAL A 59 5.349 5.346 2.408 1.00 0.00 C ATOM 847 C VAL A 59 6.393 6.362 2.859 1.00 0.00 C ATOM 848 O VAL A 59 7.195 6.088 3.751 1.00 0.00 O ATOM 849 CB VAL A 59 3.966 5.783 2.926 1.00 0.00 C ATOM 850 CG1 VAL A 59 2.913 4.740 2.583 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.014 6.030 4.426 1.00 0.00 C ATOM 0 H VAL A 59 6.022 3.960 3.829 1.00 0.00 H new ATOM 0 HA VAL A 59 5.326 5.312 1.319 1.00 0.00 H new ATOM 0 HB VAL A 59 3.691 6.717 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.942 5.066 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.862 4.616 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.179 3.789 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.029 6.338 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.310 5.113 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.738 6.816 4.642 1.00 0.00 H new ATOM 861 N SER A 60 6.376 7.536 2.237 1.00 0.00 N ATOM 862 CA SER A 60 7.323 8.593 2.572 1.00 0.00 C ATOM 863 C SER A 60 6.738 9.534 3.621 1.00 0.00 C ATOM 864 O SER A 60 5.970 10.440 3.297 1.00 0.00 O ATOM 865 CB SER A 60 7.704 9.382 1.318 1.00 0.00 C ATOM 866 OG SER A 60 8.878 10.146 1.534 1.00 0.00 O ATOM 0 H SER A 60 5.717 7.780 1.498 1.00 0.00 H new ATOM 0 HA SER A 60 8.218 8.128 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.861 8.695 0.486 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.883 10.042 1.036 1.00 0.00 H new ATOM 0 HG SER A 60 8.889 10.909 0.919 1.00 0.00 H new ATOM 872 N GLU A 61 7.107 9.312 4.878 1.00 0.00 N ATOM 873 CA GLU A 61 6.619 10.140 5.975 1.00 0.00 C ATOM 874 C GLU A 61 7.661 10.244 7.084 1.00 0.00 C ATOM 875 O GLU A 61 8.488 9.350 7.259 1.00 0.00 O ATOM 876 CB GLU A 61 5.316 9.565 6.536 1.00 0.00 C ATOM 877 CG GLU A 61 4.591 10.509 7.480 1.00 0.00 C ATOM 878 CD GLU A 61 3.586 9.794 8.362 1.00 0.00 C ATOM 879 OE1 GLU A 61 2.501 9.437 7.857 1.00 0.00 O ATOM 880 OE2 GLU A 61 3.885 9.592 9.557 1.00 0.00 O ATOM 0 H GLU A 61 7.742 8.566 5.162 1.00 0.00 H new ATOM 0 HA GLU A 61 6.429 11.140 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.654 9.313 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.536 8.636 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.321 11.020 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.078 11.275 6.899 1.00 0.00 H new ATOM 887 N ASN A 62 7.615 11.342 7.831 1.00 0.00 N ATOM 888 CA ASN A 62 8.556 11.565 8.923 1.00 0.00 C ATOM 889 C ASN A 62 9.995 11.516 8.420 1.00 0.00 C ATOM 890 O ASN A 62 10.823 10.774 8.947 1.00 0.00 O ATOM 891 CB ASN A 62 8.352 10.518 10.020 1.00 0.00 C ATOM 892 CG ASN A 62 7.232 10.890 10.973 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.125 12.038 11.405 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.392 9.917 11.307 1.00 0.00 N ATOM 0 H ASN A 62 6.936 12.092 7.700 1.00 0.00 H new ATOM 0 HA ASN A 62 8.368 12.556 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.130 9.554 9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.279 10.399 10.581 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.620 10.107 11.946 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.519 8.980 10.925 1.00 0.00 H new ATOM 901 N SER A 63 10.285 12.313 7.396 1.00 0.00 N ATOM 902 CA SER A 63 11.623 12.359 6.819 1.00 0.00 C ATOM 903 C SER A 63 12.213 10.957 6.701 1.00 0.00 C ATOM 904 O SER A 63 13.427 10.773 6.785 1.00 0.00 O ATOM 905 CB SER A 63 12.539 13.240 7.671 1.00 0.00 C ATOM 906 OG SER A 63 13.757 13.510 6.998 1.00 0.00 O ATOM 0 H SER A 63 9.611 12.935 6.949 1.00 0.00 H new ATOM 0 HA SER A 63 11.546 12.787 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.033 14.177 7.904 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.746 12.745 8.620 1.00 0.00 H new ATOM 0 HG SER A 63 14.174 12.666 6.725 1.00 0.00 H new ATOM 912 N ARG A 64 11.343 9.971 6.506 1.00 0.00 N ATOM 913 CA ARG A 64 11.776 8.585 6.378 1.00 0.00 C ATOM 914 C ARG A 64 10.711 7.745 5.678 1.00 0.00 C ATOM 915 O ARG A 64 9.689 8.266 5.233 1.00 0.00 O ATOM 916 CB ARG A 64 12.083 7.994 7.755 1.00 0.00 C ATOM 917 CG ARG A 64 10.841 7.685 8.576 1.00 0.00 C ATOM 918 CD ARG A 64 11.196 7.003 9.888 1.00 0.00 C ATOM 919 NE ARG A 64 10.067 6.975 10.813 1.00 0.00 N ATOM 920 CZ ARG A 64 9.944 6.091 11.797 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.877 5.167 11.982 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.887 6.129 12.597 1.00 0.00 N ATOM 0 H ARG A 64 10.335 10.107 6.433 1.00 0.00 H new ATOM 0 HA ARG A 64 12.683 8.569 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.661 7.079 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.710 8.692 8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.299 8.609 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.173 7.044 8.000 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.527 5.984 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.033 7.525 10.353 1.00 0.00 H new ATOM 0 HE ARG A 64 9.332 7.673 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.691 5.134 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.781 4.489 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.167 6.838 12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.794 5.449 13.352 1.00 0.00 H new ATOM 936 N VAL A 65 10.959 6.442 5.585 1.00 0.00 N ATOM 937 CA VAL A 65 10.022 5.530 4.941 1.00 0.00 C ATOM 938 C VAL A 65 9.279 4.687 5.972 1.00 0.00 C ATOM 939 O VAL A 65 9.841 3.756 6.549 1.00 0.00 O ATOM 940 CB VAL A 65 10.740 4.594 3.951 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.739 3.693 3.245 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.545 5.402 2.943 1.00 0.00 C ATOM 0 H VAL A 65 11.801 5.995 5.948 1.00 0.00 H new ATOM 0 HA VAL A 65 9.307 6.145 4.395 1.00 0.00 H new ATOM 0 HB VAL A 65 11.429 3.962 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.265 3.039 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.210 3.089 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.023 4.305 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.046 4.725 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.877 6.060 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.290 6.001 3.468 1.00 0.00 H new ATOM 952 N SER A 66 8.012 5.019 6.197 1.00 0.00 N ATOM 953 CA SER A 66 7.192 4.295 7.161 1.00 0.00 C ATOM 954 C SER A 66 6.801 2.923 6.619 1.00 0.00 C ATOM 955 O SER A 66 5.874 2.799 5.819 1.00 0.00 O ATOM 956 CB SER A 66 5.935 5.098 7.499 1.00 0.00 C ATOM 957 OG SER A 66 6.232 6.158 8.392 1.00 0.00 O ATOM 0 H SER A 66 7.531 5.785 5.725 1.00 0.00 H new ATOM 0 HA SER A 66 7.780 4.155 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.500 5.500 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.189 4.441 7.945 1.00 0.00 H new ATOM 0 HG SER A 66 5.413 6.657 8.591 1.00 0.00 H new ATOM 963 N HIS A 67 7.517 1.893 7.062 1.00 0.00 N ATOM 964 CA HIS A 67 7.246 0.529 6.623 1.00 0.00 C ATOM 965 C HIS A 67 6.069 -0.065 7.391 1.00 0.00 C ATOM 966 O HIS A 67 6.202 -0.442 8.556 1.00 0.00 O ATOM 967 CB HIS A 67 8.486 -0.345 6.811 1.00 0.00 C ATOM 968 CG HIS A 67 9.689 0.156 6.073 1.00 0.00 C ATOM 969 ND1 HIS A 67 10.035 -0.282 4.812 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.629 1.064 6.425 1.00 0.00 C ATOM 971 CE1 HIS A 67 11.136 0.334 4.421 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.517 1.157 5.382 1.00 0.00 N ATOM 0 H HIS A 67 8.288 1.978 7.724 1.00 0.00 H new ATOM 0 HA HIS A 67 6.988 0.558 5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.721 -0.405 7.874 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.261 -1.358 6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.672 1.613 7.354 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.639 0.190 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.337 1.763 5.354 1.00 0.00 H new ATOM 981 N TYR A 68 4.919 -0.146 6.732 1.00 0.00 N ATOM 982 CA TYR A 68 3.718 -0.691 7.354 1.00 0.00 C ATOM 983 C TYR A 68 3.456 -2.116 6.876 1.00 0.00 C ATOM 984 O TYR A 68 3.077 -2.336 5.725 1.00 0.00 O ATOM 985 CB TYR A 68 2.510 0.194 7.042 1.00 0.00 C ATOM 986 CG TYR A 68 2.624 1.594 7.601 1.00 0.00 C ATOM 987 CD1 TYR A 68 3.002 1.807 8.921 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.355 2.703 6.809 1.00 0.00 C ATOM 989 CE1 TYR A 68 3.107 3.085 9.436 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.459 3.985 7.315 1.00 0.00 C ATOM 991 CZ TYR A 68 2.835 4.170 8.629 1.00 0.00 C ATOM 992 OH TYR A 68 2.939 5.444 9.138 1.00 0.00 O ATOM 0 H TYR A 68 4.793 0.159 5.767 1.00 0.00 H new ATOM 0 HA TYR A 68 3.875 -0.712 8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.383 0.253 5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.612 -0.276 7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.217 0.960 9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.059 2.561 5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.400 3.233 10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.247 4.837 6.685 1.00 0.00 H new ATOM 0 HH TYR A 68 2.715 6.094 8.440 1.00 0.00 H new ATOM 1002 N ILE A 69 3.660 -3.079 7.768 1.00 0.00 N ATOM 1003 CA ILE A 69 3.445 -4.483 7.438 1.00 0.00 C ATOM 1004 C ILE A 69 1.957 -4.809 7.367 1.00 0.00 C ATOM 1005 O ILE A 69 1.154 -4.260 8.124 1.00 0.00 O ATOM 1006 CB ILE A 69 4.114 -5.412 8.468 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.634 -5.248 8.424 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.724 -6.859 8.208 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.359 -6.034 9.494 1.00 0.00 C ATOM 0 H ILE A 69 3.974 -2.913 8.724 1.00 0.00 H new ATOM 0 HA ILE A 69 3.898 -4.651 6.461 1.00 0.00 H new ATOM 0 HB ILE A 69 3.767 -5.136 9.464 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.997 -5.562 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.880 -4.192 8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.205 -7.503 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.642 -6.964 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.046 -7.148 7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.433 -5.870 9.402 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.025 -5.704 10.477 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.143 -7.096 9.375 1.00 0.00 H new ATOM 1021 N ILE A 70 1.596 -5.705 6.456 1.00 0.00 N ATOM 1022 CA ILE A 70 0.205 -6.107 6.289 1.00 0.00 C ATOM 1023 C ILE A 70 0.015 -7.583 6.619 1.00 0.00 C ATOM 1024 O ILE A 70 0.518 -8.457 5.913 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.288 -5.845 4.853 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.456 -4.344 4.614 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.597 -6.578 4.601 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.802 -3.666 4.119 1.00 0.00 C ATOM 0 H ILE A 70 2.248 -6.167 5.822 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.383 -5.505 6.982 1.00 0.00 H new ATOM 0 HB ILE A 70 0.458 -6.223 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.253 -4.187 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.773 -3.870 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.933 -6.383 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.446 -7.649 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.352 -6.227 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.609 -2.603 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.597 -3.792 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.109 -4.114 3.174 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.716 -7.854 7.695 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.974 -9.226 8.118 1.00 0.00 C ATOM 1042 C ASN A 71 -2.012 -9.887 7.216 1.00 0.00 C ATOM 1043 O ASN A 71 -3.058 -9.307 6.927 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.454 -9.252 9.571 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.417 -8.704 10.532 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.735 -7.919 11.425 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.832 -9.118 10.353 1.00 0.00 N ATOM 0 H ASN A 71 -1.140 -7.142 8.290 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.042 -9.785 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.371 -8.669 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.700 -10.276 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.573 -8.784 10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.050 -9.770 9.599 1.00 0.00 H new ATOM 1054 N SER A 72 -1.714 -11.106 6.775 1.00 0.00 N ATOM 1055 CA SER A 72 -2.619 -11.846 5.904 1.00 0.00 C ATOM 1056 C SER A 72 -3.576 -12.709 6.721 1.00 0.00 C ATOM 1057 O SER A 72 -3.150 -13.583 7.477 1.00 0.00 O ATOM 1058 CB SER A 72 -1.824 -12.723 4.934 1.00 0.00 C ATOM 1059 OG SER A 72 -2.681 -13.588 4.210 1.00 0.00 O ATOM 0 H SER A 72 -0.853 -11.601 7.007 1.00 0.00 H new ATOM 0 HA SER A 72 -3.205 -11.125 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.268 -12.092 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.091 -13.311 5.487 1.00 0.00 H new ATOM 0 HG SER A 72 -2.149 -14.137 3.596 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.871 -12.457 6.563 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.890 -13.210 7.286 1.00 0.00 C ATOM 1067 C LEU A 73 -6.345 -14.423 6.480 1.00 0.00 C ATOM 1068 O LEU A 73 -6.309 -14.430 5.249 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.088 -12.313 7.599 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.762 -10.921 8.141 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.012 -10.056 8.180 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.136 -11.020 9.524 1.00 0.00 C ATOM 0 H LEU A 73 -5.240 -11.738 5.941 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.453 -13.561 8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.677 -12.198 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.719 -12.825 8.325 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.042 -10.451 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.760 -9.069 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.417 -9.957 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.756 -10.521 8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.911 -10.020 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.832 -11.510 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.216 -11.601 9.466 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.785 -15.473 7.188 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.258 -16.710 6.558 1.00 0.00 C ATOM 1086 C PRO A 74 -8.585 -16.519 5.831 1.00 0.00 C ATOM 1087 O PRO A 74 -8.936 -17.299 4.946 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.429 -17.667 7.741 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.658 -16.780 8.916 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.855 -15.535 8.657 1.00 0.00 C ATOM 0 HA PRO A 74 -6.566 -17.071 5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.270 -18.343 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.543 -18.287 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.717 -16.546 9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.340 -17.265 9.839 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.338 -14.651 9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.863 -15.597 9.104 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.318 -15.478 6.211 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.607 -15.185 5.594 1.00 0.00 C ATOM 1100 C ASN A 75 -10.427 -14.366 4.320 1.00 0.00 C ATOM 1101 O ASN A 75 -11.149 -13.398 4.085 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.506 -14.431 6.576 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.848 -13.174 7.114 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.643 -13.150 7.364 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.639 -12.123 7.294 1.00 0.00 N ATOM 0 H ASN A 75 -9.042 -14.823 6.943 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.080 -16.132 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.439 -14.165 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.763 -15.088 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.253 -11.250 7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.633 -12.189 7.073 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.459 -14.763 3.500 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.183 -14.066 2.250 1.00 0.00 C ATOM 1114 C ARG A 76 -9.247 -12.554 2.445 1.00 0.00 C ATOM 1115 O ARG A 76 -9.847 -11.839 1.642 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.180 -14.494 1.171 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.982 -15.922 0.691 1.00 0.00 C ATOM 1118 CD ARG A 76 -10.546 -16.123 -0.707 1.00 0.00 C ATOM 1119 NE ARG A 76 -10.615 -17.536 -1.071 1.00 0.00 N ATOM 1120 CZ ARG A 76 -9.550 -18.270 -1.374 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -8.340 -17.728 -1.356 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -9.694 -19.549 -1.696 1.00 0.00 N ATOM 0 H ARG A 76 -8.853 -15.564 3.679 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.175 -14.332 1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.192 -14.388 1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.094 -13.818 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.919 -16.164 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.468 -16.610 1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.543 -15.685 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.924 -15.593 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.531 -17.984 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.225 -16.745 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.524 -18.294 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.623 -19.970 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.876 -20.112 -1.928 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.625 -12.074 3.516 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.613 -10.647 3.818 1.00 0.00 C ATOM 1138 C ARG A 77 -7.287 -10.237 4.452 1.00 0.00 C ATOM 1139 O ARG A 77 -6.630 -11.039 5.116 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.769 -10.292 4.754 1.00 0.00 C ATOM 1141 CG ARG A 77 -11.091 -10.078 4.034 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.979 -9.095 4.782 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.229 -8.837 4.072 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.204 -9.732 3.952 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.074 -10.935 4.493 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.312 -9.423 3.291 1.00 0.00 N ATOM 0 H ARG A 77 -8.122 -12.652 4.190 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.733 -10.102 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.889 -11.089 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.514 -9.387 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.902 -9.706 3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.609 -11.032 3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.200 -9.489 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.442 -8.157 4.924 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.361 -7.920 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.224 -11.176 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.824 -11.620 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.416 -8.498 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.060 -10.111 3.199 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.899 -8.984 4.242 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.651 -8.467 4.792 1.00 0.00 C ATOM 1162 C PHE A 78 -5.914 -7.607 6.025 1.00 0.00 C ATOM 1163 O PHE A 78 -7.050 -7.213 6.290 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.904 -7.649 3.736 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.616 -8.416 2.477 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.628 -8.692 1.572 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.334 -8.861 2.199 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.367 -9.398 0.412 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -3.067 -9.566 1.040 1.00 0.00 C ATOM 1170 CZ PHE A 78 -4.085 -9.836 0.147 1.00 0.00 C ATOM 0 H PHE A 78 -7.431 -8.307 3.695 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.035 -9.316 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.494 -6.766 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.964 -7.295 4.160 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.633 -8.352 1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.534 -8.655 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.165 -9.606 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.063 -9.905 0.833 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.879 -10.389 -0.757 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.856 -7.321 6.776 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.970 -6.507 7.980 1.00 0.00 C ATOM 1182 C LYS A 79 -3.726 -5.647 8.176 1.00 0.00 C ATOM 1183 O LYS A 79 -2.653 -6.157 8.500 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.184 -7.400 9.205 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.352 -6.626 10.501 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.946 -7.459 11.705 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.642 -6.985 12.971 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.945 -7.675 13.179 1.00 0.00 N ATOM 0 H LYS A 79 -3.909 -7.641 6.572 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.830 -5.848 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.067 -8.018 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.335 -8.077 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.749 -5.719 10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.391 -6.314 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.191 -8.506 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.866 -7.403 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.995 -7.164 13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.806 -5.909 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.388 -7.324 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.572 -7.484 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.786 -8.700 13.259 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.877 -4.342 7.978 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.766 -3.412 8.136 1.00 0.00 C ATOM 1204 C ILE A 80 -2.799 -2.743 9.506 1.00 0.00 C ATOM 1205 O ILE A 80 -3.537 -1.783 9.721 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.783 -2.325 7.045 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.682 -1.294 7.305 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.145 -1.651 6.990 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.286 -0.510 6.074 1.00 0.00 C ATOM 0 H ILE A 80 -4.758 -3.905 7.708 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.850 -3.995 8.042 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.594 -2.796 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.020 -0.600 8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.803 -1.804 7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.141 -0.885 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.910 -2.394 6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.362 -1.190 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.502 0.202 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.918 -1.194 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.153 0.029 5.691 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.992 -3.256 10.429 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.942 -2.695 11.766 1.00 0.00 C ATOM 1223 C GLY A 81 -3.099 -3.156 12.631 1.00 0.00 C ATOM 1224 O GLY A 81 -3.108 -4.288 13.115 1.00 0.00 O ATOM 0 H GLY A 81 -1.372 -4.051 10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.002 -2.978 12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.952 -1.607 11.701 1.00 0.00 H new ATOM 1228 N ASP A 82 -4.075 -2.276 12.828 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.241 -2.599 13.642 1.00 0.00 C ATOM 1230 C ASP A 82 -6.523 -2.493 12.821 1.00 0.00 C ATOM 1231 O ASP A 82 -7.612 -2.334 13.371 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.318 -1.667 14.853 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.446 -2.136 16.000 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -3.206 -2.086 15.863 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -5.004 -2.553 17.037 1.00 0.00 O ATOM 0 H ASP A 82 -4.082 -1.335 12.436 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.137 -3.627 13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.013 -0.664 14.556 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.352 -1.599 15.191 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.383 -2.581 11.502 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.530 -2.493 10.606 1.00 0.00 C ATOM 1242 C GLN A 83 -7.505 -3.620 9.578 1.00 0.00 C ATOM 1243 O GLN A 83 -6.496 -4.307 9.421 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.545 -1.139 9.894 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.894 0.024 10.808 1.00 0.00 C ATOM 1246 CD GLN A 83 -9.360 0.043 11.195 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -10.235 0.226 10.349 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.636 -0.147 12.480 1.00 0.00 N ATOM 0 H GLN A 83 -5.488 -2.713 11.031 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.435 -2.591 11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.566 -0.960 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.264 -1.176 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.285 -0.032 11.710 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.641 0.960 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.879 -0.295 13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.605 -0.145 12.799 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.623 -3.804 8.882 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.728 -4.849 7.870 1.00 0.00 C ATOM 1259 C GLU A 84 -9.462 -4.338 6.634 1.00 0.00 C ATOM 1260 O GLU A 84 -10.206 -3.359 6.700 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.455 -6.070 8.440 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.842 -6.597 9.726 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.780 -7.517 10.484 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.566 -7.013 11.312 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.726 -8.743 10.248 1.00 0.00 O ATOM 0 H GLU A 84 -9.467 -3.244 9.000 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.719 -5.139 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.497 -5.809 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.453 -6.865 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.922 -7.134 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.568 -5.757 10.364 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.246 -5.007 5.506 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.885 -4.620 4.254 1.00 0.00 C ATOM 1274 C PHE A 85 -10.188 -5.846 3.396 1.00 0.00 C ATOM 1275 O PHE A 85 -9.740 -6.952 3.697 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.991 -3.650 3.479 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.710 -2.373 4.219 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.570 -1.292 4.115 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.585 -2.254 5.019 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.313 -0.116 4.794 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.323 -1.081 5.701 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.189 -0.011 5.589 1.00 0.00 C ATOM 0 H PHE A 85 -8.634 -5.819 5.434 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.826 -4.124 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.046 -4.143 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.466 -3.412 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.452 -1.369 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.905 -3.088 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.991 0.720 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.442 -1.001 6.321 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.987 0.906 6.122 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.950 -5.639 2.329 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.313 -6.726 1.426 1.00 0.00 C ATOM 1294 C ASP A 86 -10.086 -7.255 0.692 1.00 0.00 C ATOM 1295 O ASP A 86 -9.973 -8.454 0.432 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.362 -6.252 0.418 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.576 -5.642 1.090 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.424 -4.591 1.748 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.678 -6.214 0.958 1.00 0.00 O ATOM 0 H ASP A 86 -11.329 -4.729 2.067 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.734 -7.536 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.913 -5.518 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.676 -7.094 -0.198 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.167 -6.353 0.358 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.948 -6.729 -0.347 1.00 0.00 C ATOM 1306 C HIS A 87 -6.942 -5.582 -0.344 1.00 0.00 C ATOM 1307 O HIS A 87 -7.175 -4.540 0.271 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.270 -7.136 -1.786 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.354 -6.314 -2.412 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.153 -5.032 -2.879 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.656 -6.599 -2.648 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.284 -4.564 -3.374 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.212 -5.495 -3.246 1.00 0.00 N ATOM 0 H HIS A 87 -9.244 -5.357 0.565 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.505 -7.579 0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.366 -7.051 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.566 -8.185 -1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.163 -7.522 -2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.426 -3.586 -3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.184 -5.408 -3.543 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.824 -5.779 -1.034 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.782 -4.761 -1.110 1.00 0.00 C ATOM 1324 C LEU A 88 -5.330 -3.464 -1.698 1.00 0.00 C ATOM 1325 O LEU A 88 -5.303 -2.408 -1.067 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.611 -5.263 -1.956 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.455 -5.906 -1.188 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.435 -6.491 -2.151 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.799 -4.890 -0.264 1.00 0.00 C ATOM 0 H LEU A 88 -5.616 -6.635 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.431 -4.560 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.992 -5.989 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.217 -4.424 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.854 -6.717 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.620 -6.944 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.913 -7.250 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.040 -5.699 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.979 -5.364 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.413 -4.058 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.535 -4.519 0.449 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.841 -3.545 -2.936 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.407 -2.388 -3.635 1.00 0.00 C ATOM 1343 C PRO A 89 -7.721 -1.923 -3.017 1.00 0.00 C ATOM 1344 O PRO A 89 -8.446 -1.122 -3.606 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.639 -2.911 -5.055 1.00 0.00 C ATOM 1346 CG PRO A 89 -6.795 -4.384 -4.896 1.00 0.00 C ATOM 1347 CD PRO A 89 -5.905 -4.772 -3.747 1.00 0.00 C ATOM 0 HA PRO A 89 -5.749 -1.521 -3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.528 -2.465 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.800 -2.670 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.833 -4.647 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.507 -4.908 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.320 -5.606 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.917 -5.079 -4.090 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.023 -2.432 -1.827 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.249 -2.067 -1.128 1.00 0.00 C ATOM 1357 C ALA A 90 -8.947 -1.221 0.105 1.00 0.00 C ATOM 1358 O ALA A 90 -9.796 -0.460 0.571 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.026 -3.315 -0.737 1.00 0.00 C ATOM 0 H ALA A 90 -7.435 -3.099 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.860 -1.470 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.939 -3.027 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.283 -3.880 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.414 -3.934 -0.081 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.734 -1.360 0.628 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.320 -0.609 1.809 1.00 0.00 C ATOM 1367 C LEU A 91 -6.714 0.734 1.414 1.00 0.00 C ATOM 1368 O LEU A 91 -6.979 1.757 2.048 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.310 -1.418 2.624 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.917 -1.566 2.010 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -4.018 -0.419 2.444 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.304 -2.904 2.397 1.00 0.00 C ATOM 0 H LEU A 91 -7.020 -1.985 0.254 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.203 -0.423 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.206 -0.951 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.721 -2.414 2.788 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.013 -1.534 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.031 -0.541 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.450 0.526 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.927 -0.419 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.313 -2.993 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.221 -2.966 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.938 -3.713 2.035 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.901 0.725 0.364 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.259 1.943 -0.117 1.00 0.00 C ATOM 1386 C LEU A 92 -6.295 3.015 -0.439 1.00 0.00 C ATOM 1387 O LEU A 92 -6.096 4.193 -0.142 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.417 1.643 -1.358 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.358 0.551 -1.203 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -3.111 -0.146 -2.532 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.063 1.137 -0.658 1.00 0.00 C ATOM 0 H LEU A 92 -5.671 -0.112 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.609 2.318 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.089 1.358 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.919 2.563 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.727 -0.188 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.354 -0.920 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.038 -0.600 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.763 0.582 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.321 0.345 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.690 1.897 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.250 1.589 0.316 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.402 2.598 -1.045 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.470 3.523 -1.406 1.00 0.00 C ATOM 1405 C GLU A 93 -9.125 4.109 -0.158 1.00 0.00 C ATOM 1406 O GLU A 93 -9.660 5.218 -0.188 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.521 2.814 -2.262 1.00 0.00 C ATOM 1408 CG GLU A 93 -8.931 1.847 -3.274 1.00 0.00 C ATOM 1409 CD GLU A 93 -9.825 1.648 -4.482 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -10.751 2.464 -4.677 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -9.600 0.676 -5.233 1.00 0.00 O ATOM 0 H GLU A 93 -7.583 1.626 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.032 4.338 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.203 2.271 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.113 3.562 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.960 2.219 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.758 0.885 -2.793 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.080 3.357 0.936 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.670 3.800 2.193 1.00 0.00 C ATOM 1420 C PHE A 94 -8.734 4.756 2.927 1.00 0.00 C ATOM 1421 O PHE A 94 -9.159 5.508 3.804 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.990 2.597 3.084 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.938 2.916 4.204 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.297 3.042 3.964 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.471 3.088 5.497 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.171 3.336 4.993 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.341 3.381 6.530 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.693 3.504 6.278 1.00 0.00 C ATOM 0 H PHE A 94 -8.641 2.437 0.977 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.595 4.330 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.419 1.804 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.062 2.209 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.677 2.909 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.415 2.992 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.228 3.434 4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.964 3.514 7.533 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.375 3.731 7.084 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.457 4.720 2.561 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.459 5.579 3.186 1.00 0.00 C ATOM 1440 C TYR A 95 -6.303 6.885 2.412 1.00 0.00 C ATOM 1441 O TYR A 95 -5.867 7.897 2.959 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.113 4.858 3.267 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.945 4.027 4.519 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.165 4.578 5.776 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.566 2.693 4.446 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.012 3.824 6.923 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.412 1.930 5.588 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.636 2.500 6.824 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.483 1.744 7.964 1.00 0.00 O ATOM 0 H TYR A 95 -7.089 4.105 1.835 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.799 5.813 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.003 4.213 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.312 5.596 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.461 5.614 5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.388 2.244 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.186 4.268 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.118 0.893 5.513 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.090 2.073 8.659 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.663 6.853 1.133 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.567 8.033 0.281 1.00 0.00 C ATOM 1461 C LYS A 96 -7.186 9.248 0.963 1.00 0.00 C ATOM 1462 O LYS A 96 -6.890 10.389 0.606 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.261 7.777 -1.059 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.489 6.844 -1.975 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.361 6.329 -3.109 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.299 7.247 -4.320 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.564 7.217 -5.104 1.00 0.00 N ATOM 0 H LYS A 96 -7.024 6.023 0.664 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.511 8.238 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.248 7.355 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.413 8.729 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.627 7.368 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.105 6.002 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.037 5.328 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.393 6.245 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.099 8.267 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.468 6.949 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.481 7.856 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.742 6.248 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.353 7.526 -4.501 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.044 8.997 1.945 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.702 10.072 2.678 1.00 0.00 C ATOM 1483 C ILE A 97 -8.257 10.096 4.136 1.00 0.00 C ATOM 1484 O ILE A 97 -8.206 11.154 4.764 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.235 9.934 2.624 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.676 8.629 3.289 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.721 9.991 1.183 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.177 8.493 3.419 1.00 0.00 C ATOM 0 H ILE A 97 -8.300 8.059 2.252 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.412 11.006 2.196 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.679 10.766 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.292 7.788 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.227 8.566 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.806 9.892 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.434 10.945 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.271 9.177 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.416 7.544 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.566 9.313 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.632 8.524 2.429 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.933 8.922 4.670 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.489 8.809 6.055 1.00 0.00 C ATOM 1502 C HIS A 98 -5.977 8.987 6.157 1.00 0.00 C ATOM 1503 O HIS A 98 -5.239 8.658 5.228 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.894 7.452 6.633 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.358 7.341 6.931 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.980 6.142 7.208 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.322 8.288 6.996 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.265 6.357 7.428 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.498 7.651 7.306 1.00 0.00 N ATOM 0 H HIS A 98 -7.970 8.037 4.165 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.970 9.600 6.631 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.614 6.668 5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.331 7.274 7.549 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.520 5.232 7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.191 9.348 6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.000 5.603 7.667 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.524 9.512 7.290 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.100 9.737 7.512 1.00 0.00 C ATOM 1520 C TYR A 99 -3.499 8.624 8.364 1.00 0.00 C ATOM 1521 O TYR A 99 -3.833 8.476 9.540 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.876 11.090 8.189 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.447 12.257 7.414 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.819 12.466 7.346 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.615 13.148 6.749 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.345 13.530 6.639 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.132 14.216 6.041 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.498 14.402 5.989 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.017 15.463 5.283 1.00 0.00 O ATOM 0 H TYR A 99 -6.122 9.790 8.069 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.602 9.736 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.326 11.069 9.182 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.806 11.245 8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.486 11.785 7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.545 13.004 6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.414 13.678 6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.471 14.901 5.531 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.286 15.981 4.886 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.608 7.843 7.762 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.957 6.743 8.464 1.00 0.00 C ATOM 1541 C LEU A 100 -1.293 7.232 9.748 1.00 0.00 C ATOM 1542 O LEU A 100 -1.700 6.861 10.849 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.917 6.079 7.560 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.445 5.479 6.257 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.384 5.544 5.170 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.899 4.043 6.477 1.00 0.00 C ATOM 0 H LEU A 100 -2.320 7.952 6.789 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.721 6.011 8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.155 6.818 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.424 5.289 8.127 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.304 6.065 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.779 5.112 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.107 6.583 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.496 4.983 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.272 3.632 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.057 3.445 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.693 4.023 7.223 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.272 8.068 9.598 1.00 0.00 N ATOM 1559 CA ASP A 101 0.446 8.611 10.745 1.00 0.00 C ATOM 1560 C ASP A 101 0.339 10.132 10.782 1.00 0.00 C ATOM 1561 O ASP A 101 -0.235 10.703 11.711 1.00 0.00 O ATOM 1562 CB ASP A 101 1.917 8.192 10.698 1.00 0.00 C ATOM 1563 CG ASP A 101 2.164 6.869 11.395 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.210 6.072 11.511 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.312 6.630 11.826 1.00 0.00 O ATOM 0 H ASP A 101 0.077 8.385 8.693 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.009 8.210 11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.238 8.117 9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.527 8.965 11.165 1.00 0.00 H new ATOM 1570 N THR A 102 0.896 10.785 9.767 1.00 0.00 N ATOM 1571 CA THR A 102 0.865 12.240 9.685 1.00 0.00 C ATOM 1572 C THR A 102 0.482 12.703 8.284 1.00 0.00 C ATOM 1573 O THR A 102 0.391 13.903 8.018 1.00 0.00 O ATOM 1574 CB THR A 102 2.227 12.853 10.062 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.086 14.261 10.281 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.254 12.605 8.968 1.00 0.00 C ATOM 0 H THR A 102 1.374 10.329 8.990 1.00 0.00 H new ATOM 0 HA THR A 102 0.112 12.581 10.396 1.00 0.00 H new ATOM 0 HB THR A 102 2.574 12.376 10.978 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.491 14.640 9.601 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.207 13.047 9.257 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.380 11.532 8.824 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.911 13.058 8.038 1.00 0.00 H new ATOM 1584 N THR A 103 0.258 11.746 7.389 1.00 0.00 N ATOM 1585 CA THR A 103 -0.115 12.056 6.015 1.00 0.00 C ATOM 1586 C THR A 103 -0.980 10.953 5.418 1.00 0.00 C ATOM 1587 O THR A 103 -1.267 9.950 6.073 1.00 0.00 O ATOM 1588 CB THR A 103 1.128 12.255 5.127 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.748 12.835 3.875 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.838 10.931 4.885 1.00 0.00 C ATOM 0 H THR A 103 0.329 10.749 7.592 1.00 0.00 H new ATOM 0 HA THR A 103 -0.685 12.985 6.044 1.00 0.00 H new ATOM 0 HB THR A 103 1.813 12.927 5.644 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.544 12.960 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.712 11.097 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.152 10.507 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.158 10.239 4.387 1.00 0.00 H new ATOM 1598 N THR A 104 -1.394 11.142 4.169 1.00 0.00 N ATOM 1599 CA THR A 104 -2.228 10.163 3.483 1.00 0.00 C ATOM 1600 C THR A 104 -1.504 9.572 2.279 1.00 0.00 C ATOM 1601 O THR A 104 -0.332 9.867 2.040 1.00 0.00 O ATOM 1602 CB THR A 104 -3.556 10.787 3.013 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.304 11.788 2.022 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.308 11.403 4.184 1.00 0.00 C ATOM 0 H THR A 104 -1.165 11.965 3.612 1.00 0.00 H new ATOM 0 HA THR A 104 -2.441 9.371 4.201 1.00 0.00 H new ATOM 0 HB THR A 104 -4.171 9.997 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.153 12.178 1.728 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.242 11.837 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.525 10.632 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.696 12.181 4.640 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.208 8.736 1.523 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.632 8.103 0.342 1.00 0.00 C ATOM 1614 C LEU A 105 -1.980 8.886 -0.920 1.00 0.00 C ATOM 1615 O LEU A 105 -3.107 8.820 -1.412 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.132 6.663 0.216 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.761 5.721 1.363 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.461 4.381 1.201 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.252 5.532 1.431 1.00 0.00 C ATOM 0 H LEU A 105 -3.178 8.481 1.707 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.548 8.096 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.218 6.683 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.743 6.244 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.093 6.170 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.185 3.724 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.541 4.532 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.160 3.925 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.006 4.859 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.104 5.105 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.228 6.496 1.596 1.00 0.00 H new ATOM 1631 N ILE A 106 -1.005 9.624 -1.440 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.208 10.416 -2.646 1.00 0.00 C ATOM 1633 C ILE A 106 -1.078 9.555 -3.898 1.00 0.00 C ATOM 1634 O ILE A 106 -2.069 9.256 -4.562 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.202 11.580 -2.731 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.205 12.381 -1.427 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.532 12.480 -3.912 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.449 13.221 -1.237 1.00 0.00 C ATOM 0 H ILE A 106 -0.067 9.690 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.218 10.822 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 106 0.796 11.168 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.109 11.693 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.669 13.031 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.187 13.298 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.484 11.902 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.536 12.887 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.383 13.761 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.536 13.934 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.326 12.574 -1.224 1.00 0.00 H new ATOM 1650 N GLU A 107 0.152 9.159 -4.212 1.00 0.00 N ATOM 1651 CA GLU A 107 0.411 8.331 -5.384 1.00 0.00 C ATOM 1652 C GLU A 107 1.625 7.434 -5.159 1.00 0.00 C ATOM 1653 O GLU A 107 2.578 7.798 -4.470 1.00 0.00 O ATOM 1654 CB GLU A 107 0.633 9.208 -6.617 1.00 0.00 C ATOM 1655 CG GLU A 107 1.898 10.048 -6.546 1.00 0.00 C ATOM 1656 CD GLU A 107 1.884 11.207 -7.525 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.099 10.967 -8.731 1.00 0.00 O ATOM 1658 OE2 GLU A 107 1.659 12.353 -7.083 1.00 0.00 O ATOM 0 H GLU A 107 0.983 9.398 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.461 7.698 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.678 8.572 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.225 9.868 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.017 10.434 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.762 9.415 -6.750 1.00 0.00 H new ATOM 1665 N PRO A 108 1.590 6.231 -5.752 1.00 0.00 N ATOM 1666 CA PRO A 108 2.678 5.257 -5.631 1.00 0.00 C ATOM 1667 C PRO A 108 3.935 5.696 -6.375 1.00 0.00 C ATOM 1668 O PRO A 108 3.859 6.432 -7.359 1.00 0.00 O ATOM 1669 CB PRO A 108 2.094 3.993 -6.267 1.00 0.00 C ATOM 1670 CG PRO A 108 1.057 4.489 -7.214 1.00 0.00 C ATOM 1671 CD PRO A 108 0.485 5.731 -6.587 1.00 0.00 C ATOM 0 HA PRO A 108 2.993 5.124 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.862 3.420 -6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.660 3.335 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.492 4.709 -8.189 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.282 3.739 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.188 6.461 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.400 5.509 -5.991 1.00 0.00 H new ATOM 1679 N ALA A 109 5.088 5.239 -5.900 1.00 0.00 N ATOM 1680 CA ALA A 109 6.361 5.584 -6.521 1.00 0.00 C ATOM 1681 C ALA A 109 6.451 5.020 -7.936 1.00 0.00 C ATOM 1682 O ALA A 109 5.881 3.975 -8.251 1.00 0.00 O ATOM 1683 CB ALA A 109 7.517 5.074 -5.674 1.00 0.00 C ATOM 0 H ALA A 109 5.167 4.629 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 109 6.424 6.670 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.461 5.339 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.470 5.527 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.449 3.990 -5.581 1.00 0.00 H new ATOM 1689 N PRO A 110 7.183 5.727 -8.810 1.00 0.00 N ATOM 1690 CA PRO A 110 7.364 5.316 -10.205 1.00 0.00 C ATOM 1691 C PRO A 110 8.234 4.070 -10.334 1.00 0.00 C ATOM 1692 O PRO A 110 9.145 3.852 -9.535 1.00 0.00 O ATOM 1693 CB PRO A 110 8.059 6.522 -10.843 1.00 0.00 C ATOM 1694 CG PRO A 110 8.756 7.198 -9.713 1.00 0.00 C ATOM 1695 CD PRO A 110 7.890 6.981 -8.503 1.00 0.00 C ATOM 0 HA PRO A 110 6.418 5.052 -10.678 1.00 0.00 H new ATOM 0 HB2 PRO A 110 8.764 6.211 -11.614 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.339 7.188 -11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.751 6.779 -9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.886 8.261 -9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.485 6.895 -7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.195 7.807 -8.353 1.00 0.00 H new