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= -0.0347 USER MOD Set 2.1: A 58 SER OG : rot -110:sc= 1.06 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.884 K(o=1.9,f=-2.2) USER MOD Set 3.1: A 38 GLN : amide:sc= -1.27 K(o=-3.5,f=-6.9!) USER MOD Set 3.2: A 42 MET CE :methyl -106:sc= -2.22! (180deg=-1.88) USER MOD Set 4.1: A 22 TYR OH : rot 55:sc= 1.17 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0.0185 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -21:sc= 0.618 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) 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) USER MOD Single : A 32 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.0614 K(o=-0.061,f=-0.65) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 90:sc= 0.746 USER MOD Single : A 62 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.02) USER MOD Single : A 63 SER OG : rot -45:sc= 0.419 USER MOD Single : A 71 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.082) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.05 K(o=-2,f=-12!) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= 0.355 (180deg=0.111) USER MOD Single : A 83 GLN : amide:sc= -0.0653 K(o=-0.065,f=-1.8!) USER MOD Single : A 87 HIS : no HD1:sc= -9.5! C(o=-9.5!,f=-12!) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.266) USER MOD Single : A 98 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.25) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -45:sc= 0.304 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.206 12.674 -4.275 1.00 0.00 N ATOM 106 CA ALA A 11 -4.405 11.234 -4.158 1.00 0.00 C ATOM 107 C ALA A 11 -4.940 10.646 -5.459 1.00 0.00 C ATOM 108 O ALA A 11 -5.822 9.787 -5.447 1.00 0.00 O ATOM 109 CB ALA A 11 -5.352 10.924 -3.008 1.00 0.00 C ATOM 0 HA ALA A 11 -3.438 10.774 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.492 9.846 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.929 11.302 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.314 11.402 -3.190 1.00 0.00 H new ATOM 115 N ARG A 12 -4.403 11.116 -6.581 1.00 0.00 N ATOM 116 CA ARG A 12 -4.829 10.637 -7.890 1.00 0.00 C ATOM 117 C ARG A 12 -3.912 9.522 -8.386 1.00 0.00 C ATOM 118 O ARG A 12 -2.820 9.781 -8.893 1.00 0.00 O ATOM 119 CB ARG A 12 -4.841 11.788 -8.898 1.00 0.00 C ATOM 120 CG ARG A 12 -6.018 12.735 -8.727 1.00 0.00 C ATOM 121 CD ARG A 12 -7.243 12.243 -9.481 1.00 0.00 C ATOM 122 NE ARG A 12 -8.456 12.947 -9.074 1.00 0.00 N ATOM 123 CZ ARG A 12 -9.645 12.744 -9.629 1.00 0.00 C ATOM 124 NH1 ARG A 12 -9.781 11.861 -10.609 1.00 0.00 N ATOM 125 NH2 ARG A 12 -10.702 13.424 -9.203 1.00 0.00 N ATOM 0 H ARG A 12 -3.673 11.828 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.838 10.237 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.914 12.353 -8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.861 11.376 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.256 12.833 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.743 13.727 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.088 12.377 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.369 11.174 -9.309 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.386 13.632 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.971 11.336 -10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.696 11.707 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.601 14.103 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.615 13.267 -9.630 1.00 0.00 H new ATOM 139 N PHE A 13 -4.363 8.281 -8.236 1.00 0.00 N ATOM 140 CA PHE A 13 -3.584 7.127 -8.667 1.00 0.00 C ATOM 141 C PHE A 13 -4.475 5.900 -8.833 1.00 0.00 C ATOM 142 O PHE A 13 -5.671 5.944 -8.544 1.00 0.00 O ATOM 143 CB PHE A 13 -2.472 6.831 -7.659 1.00 0.00 C ATOM 144 CG PHE A 13 -2.979 6.322 -6.340 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.440 7.201 -5.373 1.00 0.00 C ATOM 146 CD2 PHE A 13 -2.995 4.963 -6.066 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.906 6.735 -4.159 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.461 4.491 -4.853 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.918 5.379 -3.899 1.00 0.00 C ATOM 0 H PHE A 13 -5.264 8.049 -7.819 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.137 7.362 -9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.792 6.094 -8.086 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.894 7.739 -7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.435 8.263 -5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.639 4.265 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.261 7.431 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.468 3.430 -4.652 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.284 5.013 -2.951 1.00 0.00 H new ATOM 159 N ASP A 14 -3.885 4.806 -9.301 1.00 0.00 N ATOM 160 CA ASP A 14 -4.624 3.566 -9.506 1.00 0.00 C ATOM 161 C ASP A 14 -4.408 2.605 -8.341 1.00 0.00 C ATOM 162 O ASP A 14 -3.279 2.398 -7.896 1.00 0.00 O ATOM 163 CB ASP A 14 -4.196 2.902 -10.816 1.00 0.00 C ATOM 164 CG ASP A 14 -2.733 3.140 -11.134 1.00 0.00 C ATOM 165 OD1 ASP A 14 -1.954 3.393 -10.192 1.00 0.00 O ATOM 166 OD2 ASP A 14 -2.366 3.071 -12.326 1.00 0.00 O ATOM 0 H ASP A 14 -2.896 4.753 -9.546 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.685 3.810 -9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.382 1.830 -10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.809 3.285 -11.632 1.00 0.00 H new ATOM 171 N SER A 15 -5.497 2.023 -7.851 1.00 0.00 N ATOM 172 CA SER A 15 -5.427 1.089 -6.734 1.00 0.00 C ATOM 173 C SER A 15 -5.383 -0.352 -7.233 1.00 0.00 C ATOM 174 O SER A 15 -4.700 -1.199 -6.658 1.00 0.00 O ATOM 175 CB SER A 15 -6.627 1.282 -5.804 1.00 0.00 C ATOM 176 OG SER A 15 -7.833 0.897 -6.441 1.00 0.00 O ATOM 0 H SER A 15 -6.439 2.182 -8.210 1.00 0.00 H new ATOM 0 HA SER A 15 -4.511 1.292 -6.180 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.487 0.693 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.690 2.327 -5.499 1.00 0.00 H new ATOM 0 HG SER A 15 -8.584 1.028 -5.826 1.00 0.00 H new ATOM 182 N SER A 16 -6.118 -0.622 -8.307 1.00 0.00 N ATOM 183 CA SER A 16 -6.167 -1.961 -8.883 1.00 0.00 C ATOM 184 C SER A 16 -4.897 -2.259 -9.674 1.00 0.00 C ATOM 185 O SER A 16 -4.394 -3.383 -9.662 1.00 0.00 O ATOM 186 CB SER A 16 -7.391 -2.105 -9.789 1.00 0.00 C ATOM 187 OG SER A 16 -7.426 -3.384 -10.399 1.00 0.00 O ATOM 0 H SER A 16 -6.688 0.069 -8.796 1.00 0.00 H new ATOM 0 HA SER A 16 -6.242 -2.679 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.299 -1.952 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.371 -1.332 -10.558 1.00 0.00 H new ATOM 0 HG SER A 16 -8.218 -3.452 -10.972 1.00 0.00 H new ATOM 193 N ASP A 17 -4.383 -1.244 -10.360 1.00 0.00 N ATOM 194 CA ASP A 17 -3.171 -1.395 -11.156 1.00 0.00 C ATOM 195 C ASP A 17 -1.972 -1.712 -10.267 1.00 0.00 C ATOM 196 O ASP A 17 -1.303 -0.809 -9.766 1.00 0.00 O ATOM 197 CB ASP A 17 -2.902 -0.123 -11.961 1.00 0.00 C ATOM 198 CG ASP A 17 -1.933 -0.354 -13.104 1.00 0.00 C ATOM 199 OD1 ASP A 17 -1.115 -1.294 -13.008 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.992 0.404 -14.094 1.00 0.00 O ATOM 0 H ASP A 17 -4.787 -0.308 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.320 -2.227 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.843 0.258 -12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.501 0.645 -11.299 1.00 0.00 H new ATOM 205 N ARG A 18 -1.709 -3.001 -10.075 1.00 0.00 N ATOM 206 CA ARG A 18 -0.593 -3.437 -9.244 1.00 0.00 C ATOM 207 C ARG A 18 0.737 -2.980 -9.837 1.00 0.00 C ATOM 208 O ARG A 18 1.658 -2.611 -9.109 1.00 0.00 O ATOM 209 CB ARG A 18 -0.602 -4.960 -9.099 1.00 0.00 C ATOM 210 CG ARG A 18 -1.381 -5.451 -7.890 1.00 0.00 C ATOM 211 CD ARG A 18 -1.935 -6.850 -8.115 1.00 0.00 C ATOM 212 NE ARG A 18 -3.171 -6.830 -8.893 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.213 -6.998 -10.210 1.00 0.00 C ATOM 214 NH1 ARG A 18 -2.094 -7.198 -10.892 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.377 -6.968 -10.846 1.00 0.00 N ATOM 0 H ARG A 18 -2.253 -3.761 -10.483 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.707 -2.984 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.030 -5.400 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.426 -5.316 -9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.733 -5.452 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.200 -4.763 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.191 -7.456 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.120 -7.326 -7.152 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.050 -6.679 -8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.198 -7.223 -10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.129 -7.327 -11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.240 -6.816 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.409 -7.097 -11.857 1.00 0.00 H new ATOM 229 N SER A 19 0.829 -3.007 -11.163 1.00 0.00 N ATOM 230 CA SER A 19 2.047 -2.600 -11.853 1.00 0.00 C ATOM 231 C SER A 19 2.301 -1.107 -11.672 1.00 0.00 C ATOM 232 O SER A 19 3.313 -0.578 -12.130 1.00 0.00 O ATOM 233 CB SER A 19 1.951 -2.935 -13.342 1.00 0.00 C ATOM 234 OG SER A 19 3.123 -2.538 -14.032 1.00 0.00 O ATOM 0 H SER A 19 0.074 -3.306 -11.781 1.00 0.00 H new ATOM 0 HA SER A 19 2.882 -3.149 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.797 -4.007 -13.467 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.084 -2.436 -13.775 1.00 0.00 H new ATOM 0 HG SER A 19 3.596 -1.858 -13.509 1.00 0.00 H new ATOM 240 N ALA A 20 1.374 -0.433 -10.999 1.00 0.00 N ATOM 241 CA ALA A 20 1.497 0.999 -10.755 1.00 0.00 C ATOM 242 C ALA A 20 1.944 1.275 -9.323 1.00 0.00 C ATOM 243 O ALA A 20 2.592 2.285 -9.050 1.00 0.00 O ATOM 244 CB ALA A 20 0.176 1.699 -11.041 1.00 0.00 C ATOM 0 H ALA A 20 0.530 -0.856 -10.613 1.00 0.00 H new ATOM 0 HA ALA A 20 2.258 1.393 -11.429 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.283 2.768 -10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.103 1.538 -12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.599 1.293 -10.391 1.00 0.00 H new ATOM 250 N TRP A 21 1.594 0.372 -8.415 1.00 0.00 N ATOM 251 CA TRP A 21 1.960 0.520 -7.010 1.00 0.00 C ATOM 252 C TRP A 21 2.656 -0.735 -6.494 1.00 0.00 C ATOM 253 O TRP A 21 3.681 -0.653 -5.817 1.00 0.00 O ATOM 254 CB TRP A 21 0.718 0.812 -6.167 1.00 0.00 C ATOM 255 CG TRP A 21 -0.444 -0.078 -6.491 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.425 0.157 -7.412 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.746 -1.344 -5.894 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.318 -0.887 -7.423 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.924 -1.821 -6.502 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.135 -2.122 -4.908 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.501 -3.039 -6.153 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.709 -3.331 -4.562 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.881 -3.780 -5.184 1.00 0.00 C ATOM 0 H TRP A 21 1.058 -0.470 -8.625 1.00 0.00 H new ATOM 0 HA TRP A 21 2.653 1.357 -6.927 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.969 0.700 -5.112 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.423 1.851 -6.316 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.489 1.034 -8.039 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.142 -0.955 -8.021 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.770 -1.785 -4.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.406 -3.387 -6.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.246 -3.940 -3.799 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.304 -4.730 -4.893 1.00 0.00 H new ATOM 274 N TYR A 22 2.093 -1.894 -6.818 1.00 0.00 N ATOM 275 CA TYR A 22 2.660 -3.166 -6.385 1.00 0.00 C ATOM 276 C TYR A 22 4.065 -3.356 -6.947 1.00 0.00 C ATOM 277 O TYR A 22 4.244 -3.542 -8.151 1.00 0.00 O ATOM 278 CB TYR A 22 1.761 -4.323 -6.823 1.00 0.00 C ATOM 279 CG TYR A 22 2.139 -5.650 -6.204 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.237 -5.794 -4.826 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.397 -6.761 -6.999 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.583 -7.005 -4.257 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.742 -7.976 -6.438 1.00 0.00 C ATOM 284 CZ TYR A 22 2.834 -8.092 -5.067 1.00 0.00 C ATOM 285 OH TYR A 22 3.177 -9.300 -4.504 1.00 0.00 O ATOM 0 H TYR A 22 1.245 -1.979 -7.379 1.00 0.00 H new ATOM 0 HA TYR A 22 2.723 -3.156 -5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.729 -4.090 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.802 -4.413 -7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.039 -4.945 -4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.327 -6.673 -8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.656 -7.099 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.938 -8.830 -7.070 1.00 0.00 H new ATOM 0 HH TYR A 22 2.494 -9.563 -3.852 1.00 0.00 H new ATOM 295 N MET A 23 5.059 -3.309 -6.067 1.00 0.00 N ATOM 296 CA MET A 23 6.449 -3.479 -6.474 1.00 0.00 C ATOM 297 C MET A 23 6.860 -4.946 -6.410 1.00 0.00 C ATOM 298 O MET A 23 7.979 -5.304 -6.775 1.00 0.00 O ATOM 299 CB MET A 23 7.369 -2.640 -5.585 1.00 0.00 C ATOM 300 CG MET A 23 6.946 -1.184 -5.475 1.00 0.00 C ATOM 301 SD MET A 23 7.683 -0.148 -6.753 1.00 0.00 S ATOM 302 CE MET A 23 6.333 0.978 -7.097 1.00 0.00 C ATOM 0 H MET A 23 4.928 -3.155 -5.067 1.00 0.00 H new ATOM 0 HA MET A 23 6.543 -3.139 -7.505 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.395 -3.078 -4.587 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.384 -2.686 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.860 -1.119 -5.542 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.228 -0.801 -4.494 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.636 1.684 -7.871 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.466 0.413 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.074 1.524 -6.190 1.00 0.00 H new ATOM 312 N GLY A 24 5.946 -5.792 -5.943 1.00 0.00 N ATOM 313 CA GLY A 24 6.233 -7.211 -5.839 1.00 0.00 C ATOM 314 C GLY A 24 7.707 -7.490 -5.624 1.00 0.00 C ATOM 315 O GLY A 24 8.193 -7.536 -4.493 1.00 0.00 O ATOM 0 H GLY A 24 5.012 -5.520 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.662 -7.634 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.900 -7.713 -6.747 1.00 0.00 H new ATOM 319 N PRO A 25 8.444 -7.684 -6.727 1.00 0.00 N ATOM 320 CA PRO A 25 9.882 -7.965 -6.679 1.00 0.00 C ATOM 321 C PRO A 25 10.694 -6.755 -6.231 1.00 0.00 C ATOM 322 O PRO A 25 11.295 -6.060 -7.051 1.00 0.00 O ATOM 323 CB PRO A 25 10.221 -8.330 -8.127 1.00 0.00 C ATOM 324 CG PRO A 25 9.180 -7.644 -8.944 1.00 0.00 C ATOM 325 CD PRO A 25 7.931 -7.644 -8.107 1.00 0.00 C ATOM 0 HA PRO A 25 10.120 -8.749 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.222 -7.993 -8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.197 -9.409 -8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.485 -6.627 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.018 -8.165 -9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.328 -6.754 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.300 -8.506 -8.326 1.00 0.00 H new ATOM 333 N VAL A 26 10.709 -6.509 -4.925 1.00 0.00 N ATOM 334 CA VAL A 26 11.449 -5.383 -4.368 1.00 0.00 C ATOM 335 C VAL A 26 11.811 -5.632 -2.908 1.00 0.00 C ATOM 336 O VAL A 26 10.982 -6.091 -2.122 1.00 0.00 O ATOM 337 CB VAL A 26 10.643 -4.075 -4.470 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.248 -3.003 -3.576 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.576 -3.602 -5.914 1.00 0.00 C ATOM 0 H VAL A 26 10.217 -7.074 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 26 12.363 -5.284 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 26 9.626 -4.268 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.665 -2.086 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.238 -3.344 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.275 -2.810 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.003 -2.676 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.585 -3.426 -6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.092 -4.364 -6.524 1.00 0.00 H new ATOM 349 N SER A 27 13.054 -5.325 -2.551 1.00 0.00 N ATOM 350 CA SER A 27 13.527 -5.518 -1.185 1.00 0.00 C ATOM 351 C SER A 27 13.429 -4.221 -0.387 1.00 0.00 C ATOM 352 O SER A 27 13.337 -3.134 -0.958 1.00 0.00 O ATOM 353 CB SER A 27 14.972 -6.020 -1.189 1.00 0.00 C ATOM 354 OG SER A 27 15.818 -5.131 -1.899 1.00 0.00 O ATOM 0 H SER A 27 13.752 -4.942 -3.189 1.00 0.00 H new ATOM 0 HA SER A 27 12.892 -6.265 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.327 -6.124 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.015 -7.010 -1.644 1.00 0.00 H new ATOM 0 HG SER A 27 16.736 -5.473 -1.886 1.00 0.00 H new ATOM 360 N ARG A 28 13.449 -4.345 0.936 1.00 0.00 N ATOM 361 CA ARG A 28 13.361 -3.183 1.813 1.00 0.00 C ATOM 362 C ARG A 28 14.413 -2.142 1.442 1.00 0.00 C ATOM 363 O ARG A 28 14.090 -0.978 1.204 1.00 0.00 O ATOM 364 CB ARG A 28 13.539 -3.606 3.273 1.00 0.00 C ATOM 365 CG ARG A 28 13.137 -2.531 4.270 1.00 0.00 C ATOM 366 CD ARG A 28 13.369 -2.987 5.702 1.00 0.00 C ATOM 367 NE ARG A 28 12.381 -3.975 6.129 1.00 0.00 N ATOM 368 CZ ARG A 28 12.142 -4.273 7.401 1.00 0.00 C ATOM 369 NH1 ARG A 28 12.815 -3.663 8.366 1.00 0.00 N ATOM 370 NH2 ARG A 28 11.227 -5.183 7.710 1.00 0.00 N ATOM 0 H ARG A 28 13.525 -5.237 1.424 1.00 0.00 H new ATOM 0 HA ARG A 28 12.374 -2.738 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.946 -4.502 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.582 -3.874 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.709 -1.623 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.085 -2.280 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.369 -3.413 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.331 -2.125 6.368 1.00 0.00 H new ATOM 0 HE ARG A 28 11.845 -4.463 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.519 -2.962 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.629 -3.894 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.706 -5.654 6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.044 -5.411 8.687 1.00 0.00 H new ATOM 384 N GLN A 29 15.671 -2.568 1.396 1.00 0.00 N ATOM 385 CA GLN A 29 16.769 -1.672 1.055 1.00 0.00 C ATOM 386 C GLN A 29 16.408 -0.799 -0.142 1.00 0.00 C ATOM 387 O GLN A 29 16.662 0.405 -0.143 1.00 0.00 O ATOM 388 CB GLN A 29 18.035 -2.474 0.752 1.00 0.00 C ATOM 389 CG GLN A 29 18.408 -3.459 1.849 1.00 0.00 C ATOM 390 CD GLN A 29 19.903 -3.693 1.940 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.463 -4.501 1.198 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.559 -2.986 2.852 1.00 0.00 N ATOM 0 H GLN A 29 15.955 -3.528 1.591 1.00 0.00 H new ATOM 0 HA GLN A 29 16.954 -1.024 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.895 -3.019 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.864 -1.784 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.044 -3.086 2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.906 -4.409 1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.055 -2.327 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.567 -3.101 2.959 1.00 0.00 H new ATOM 401 N GLU A 30 15.814 -1.414 -1.159 1.00 0.00 N ATOM 402 CA GLU A 30 15.419 -0.692 -2.363 1.00 0.00 C ATOM 403 C GLU A 30 14.235 0.228 -2.082 1.00 0.00 C ATOM 404 O GLU A 30 14.345 1.450 -2.188 1.00 0.00 O ATOM 405 CB GLU A 30 15.061 -1.675 -3.480 1.00 0.00 C ATOM 406 CG GLU A 30 14.842 -1.010 -4.829 1.00 0.00 C ATOM 407 CD GLU A 30 15.166 -1.927 -5.991 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.059 -2.787 -5.836 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.529 -1.786 -7.056 1.00 0.00 O ATOM 0 H GLU A 30 15.596 -2.410 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 30 16.264 -0.082 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.858 -2.412 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.157 -2.216 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.804 -0.686 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.461 -0.115 -4.894 1.00 0.00 H new ATOM 416 N ALA A 31 13.102 -0.367 -1.723 1.00 0.00 N ATOM 417 CA ALA A 31 11.898 0.398 -1.425 1.00 0.00 C ATOM 418 C ALA A 31 12.238 1.702 -0.711 1.00 0.00 C ATOM 419 O ALA A 31 11.642 2.743 -0.985 1.00 0.00 O ATOM 420 CB ALA A 31 10.940 -0.432 -0.584 1.00 0.00 C ATOM 0 H ALA A 31 12.993 -1.377 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 31 11.413 0.647 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.045 0.152 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.663 -1.333 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.425 -0.711 0.352 1.00 0.00 H new ATOM 426 N GLN A 32 13.199 1.636 0.205 1.00 0.00 N ATOM 427 CA GLN A 32 13.617 2.812 0.959 1.00 0.00 C ATOM 428 C GLN A 32 14.164 3.889 0.028 1.00 0.00 C ATOM 429 O GLN A 32 13.734 5.043 0.075 1.00 0.00 O ATOM 430 CB GLN A 32 14.677 2.430 1.994 1.00 0.00 C ATOM 431 CG GLN A 32 14.100 1.801 3.252 1.00 0.00 C ATOM 432 CD GLN A 32 15.035 1.908 4.440 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.447 0.899 5.014 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.376 3.135 4.816 1.00 0.00 N ATOM 0 H GLN A 32 13.702 0.781 0.443 1.00 0.00 H new ATOM 0 HA GLN A 32 12.744 3.212 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.382 1.733 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.242 3.321 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.154 2.285 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.881 0.751 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.011 3.943 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.003 3.270 5.609 1.00 0.00 H new ATOM 443 N THR A 33 15.114 3.507 -0.819 1.00 0.00 N ATOM 444 CA THR A 33 15.721 4.440 -1.759 1.00 0.00 C ATOM 445 C THR A 33 14.676 5.028 -2.701 1.00 0.00 C ATOM 446 O THR A 33 14.870 6.106 -3.262 1.00 0.00 O ATOM 447 CB THR A 33 16.823 3.760 -2.594 1.00 0.00 C ATOM 448 OG1 THR A 33 17.634 4.751 -3.234 1.00 0.00 O ATOM 449 CG2 THR A 33 16.218 2.838 -3.641 1.00 0.00 C ATOM 0 H THR A 33 15.480 2.556 -0.873 1.00 0.00 H new ATOM 0 HA THR A 33 16.166 5.240 -1.167 1.00 0.00 H new ATOM 0 HB THR A 33 17.441 3.164 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.333 4.311 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.016 2.370 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.626 2.067 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.579 3.416 -4.309 1.00 0.00 H new ATOM 457 N ARG A 34 13.569 4.313 -2.870 1.00 0.00 N ATOM 458 CA ARG A 34 12.494 4.764 -3.744 1.00 0.00 C ATOM 459 C ARG A 34 11.621 5.800 -3.043 1.00 0.00 C ATOM 460 O ARG A 34 11.052 6.686 -3.683 1.00 0.00 O ATOM 461 CB ARG A 34 11.637 3.577 -4.190 1.00 0.00 C ATOM 462 CG ARG A 34 12.447 2.343 -4.551 1.00 0.00 C ATOM 463 CD ARG A 34 11.730 1.490 -5.585 1.00 0.00 C ATOM 464 NE ARG A 34 12.071 1.882 -6.950 1.00 0.00 N ATOM 465 CZ ARG A 34 11.610 1.261 -8.030 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.793 0.224 -7.905 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.965 1.678 -9.239 1.00 0.00 N ATOM 0 H ARG A 34 13.393 3.418 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 34 12.945 5.228 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.940 3.323 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.040 3.874 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.420 2.645 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.631 1.752 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.989 0.442 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.653 1.576 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 34 12.697 2.676 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.517 -0.099 -6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.441 -0.251 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.592 2.476 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.610 1.200 -10.068 1.00 0.00 H new ATOM 481 N LEU A 35 11.518 5.684 -1.723 1.00 0.00 N ATOM 482 CA LEU A 35 10.714 6.610 -0.934 1.00 0.00 C ATOM 483 C LEU A 35 11.588 7.405 0.031 1.00 0.00 C ATOM 484 O LEU A 35 11.087 8.045 0.954 1.00 0.00 O ATOM 485 CB LEU A 35 9.640 5.848 -0.156 1.00 0.00 C ATOM 486 CG LEU A 35 8.873 4.782 -0.939 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.083 3.890 0.006 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.949 5.431 -1.959 1.00 0.00 C ATOM 0 H LEU A 35 11.981 4.958 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 35 10.232 7.308 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.112 5.370 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.923 6.569 0.235 1.00 0.00 H new ATOM 0 HG LEU A 35 9.594 4.163 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.544 3.138 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.766 3.397 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.372 4.495 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.411 4.657 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.235 6.075 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.538 6.027 -2.656 1.00 0.00 H new ATOM 500 N GLN A 36 12.898 7.361 -0.193 1.00 0.00 N ATOM 501 CA GLN A 36 13.842 8.079 0.656 1.00 0.00 C ATOM 502 C GLN A 36 14.050 9.504 0.155 1.00 0.00 C ATOM 503 O GLN A 36 14.677 9.723 -0.881 1.00 0.00 O ATOM 504 CB GLN A 36 15.181 7.341 0.702 1.00 0.00 C ATOM 505 CG GLN A 36 16.302 8.154 1.329 1.00 0.00 C ATOM 506 CD GLN A 36 16.272 8.119 2.845 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.028 7.380 3.475 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.394 8.919 3.438 1.00 0.00 N ATOM 0 H GLN A 36 13.329 6.836 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 36 13.425 8.125 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.057 6.415 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.468 7.063 -0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.261 7.773 0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.228 9.188 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.787 9.515 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.327 8.937 4.456 1.00 0.00 H new ATOM 517 N GLY A 37 13.517 10.471 0.896 1.00 0.00 N ATOM 518 CA GLY A 37 13.655 11.863 0.510 1.00 0.00 C ATOM 519 C GLY A 37 12.491 12.350 -0.329 1.00 0.00 C ATOM 520 O GLY A 37 12.163 13.536 -0.318 1.00 0.00 O ATOM 0 H GLY A 37 12.992 10.315 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.736 12.479 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.581 11.991 -0.050 1.00 0.00 H new ATOM 524 N GLN A 38 11.866 11.432 -1.060 1.00 0.00 N ATOM 525 CA GLN A 38 10.733 11.776 -1.911 1.00 0.00 C ATOM 526 C GLN A 38 9.692 12.576 -1.135 1.00 0.00 C ATOM 527 O GLN A 38 9.692 12.583 0.096 1.00 0.00 O ATOM 528 CB GLN A 38 10.095 10.509 -2.484 1.00 0.00 C ATOM 529 CG GLN A 38 10.966 9.801 -3.510 1.00 0.00 C ATOM 530 CD GLN A 38 11.102 10.584 -4.801 1.00 0.00 C ATOM 531 OE1 GLN A 38 11.553 11.730 -4.801 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.712 9.968 -5.910 1.00 0.00 N ATOM 0 H GLN A 38 12.125 10.446 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 38 11.102 12.392 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.877 9.821 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.142 10.768 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.956 9.632 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.541 8.821 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.344 9.018 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.780 10.445 -6.809 1.00 0.00 H new ATOM 541 N ARG A 39 8.806 13.249 -1.862 1.00 0.00 N ATOM 542 CA ARG A 39 7.761 14.054 -1.242 1.00 0.00 C ATOM 543 C ARG A 39 6.915 13.209 -0.294 1.00 0.00 C ATOM 544 O ARG A 39 6.865 11.984 -0.414 1.00 0.00 O ATOM 545 CB ARG A 39 6.870 14.685 -2.313 1.00 0.00 C ATOM 546 CG ARG A 39 5.921 13.699 -2.974 1.00 0.00 C ATOM 547 CD ARG A 39 6.542 13.072 -4.212 1.00 0.00 C ATOM 548 NE ARG A 39 6.888 14.073 -5.218 1.00 0.00 N ATOM 549 CZ ARG A 39 7.023 13.799 -6.511 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.843 12.562 -6.952 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.340 14.764 -7.365 1.00 0.00 N ATOM 0 H ARG A 39 8.791 13.253 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 39 8.240 14.846 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.289 15.489 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.501 15.138 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.655 12.917 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.997 14.209 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.437 12.519 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.846 12.352 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 39 7.034 15.035 -4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.600 11.818 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.947 12.354 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.480 15.717 -7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.444 14.553 -8.358 1.00 0.00 H new ATOM 565 N HIS A 40 6.250 13.871 0.648 1.00 0.00 N ATOM 566 CA HIS A 40 5.406 13.181 1.616 1.00 0.00 C ATOM 567 C HIS A 40 4.133 12.662 0.954 1.00 0.00 C ATOM 568 O HIS A 40 3.408 13.415 0.305 1.00 0.00 O ATOM 569 CB HIS A 40 5.049 14.116 2.772 1.00 0.00 C ATOM 570 CG HIS A 40 6.164 14.308 3.753 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.229 15.380 4.618 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.262 13.557 4.003 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.319 15.280 5.358 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.963 14.183 5.005 1.00 0.00 N ATOM 0 H HIS A 40 6.280 14.884 0.761 1.00 0.00 H new ATOM 0 HA HIS A 40 5.965 12.330 2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.761 15.086 2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.180 13.718 3.296 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.543 16.132 4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.536 12.637 3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.630 15.977 6.122 1.00 0.00 H new ATOM 583 N GLY A 41 3.867 11.370 1.123 1.00 0.00 N ATOM 584 CA GLY A 41 2.682 10.773 0.535 1.00 0.00 C ATOM 585 C GLY A 41 2.998 9.526 -0.266 1.00 0.00 C ATOM 586 O GLY A 41 2.256 8.546 -0.218 1.00 0.00 O ATOM 0 H GLY A 41 4.451 10.726 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.974 10.524 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.194 11.502 -0.111 1.00 0.00 H new ATOM 590 N MET A 42 4.101 9.564 -1.006 1.00 0.00 N ATOM 591 CA MET A 42 4.512 8.428 -1.823 1.00 0.00 C ATOM 592 C MET A 42 4.330 7.118 -1.063 1.00 0.00 C ATOM 593 O MET A 42 4.429 7.082 0.164 1.00 0.00 O ATOM 594 CB MET A 42 5.972 8.583 -2.252 1.00 0.00 C ATOM 595 CG MET A 42 6.309 7.847 -3.539 1.00 0.00 C ATOM 596 SD MET A 42 7.943 8.269 -4.173 1.00 0.00 S ATOM 597 CE MET A 42 7.613 9.858 -4.930 1.00 0.00 C ATOM 0 H MET A 42 4.726 10.368 -1.057 1.00 0.00 H new ATOM 0 HA MET A 42 3.880 8.403 -2.711 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.194 9.642 -2.380 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.618 8.216 -1.454 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.258 6.773 -3.362 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.559 8.082 -4.294 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.603 9.749 -6.015 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.644 10.227 -4.593 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.391 10.566 -4.644 1.00 0.00 H new ATOM 607 N PHE A 43 4.062 6.044 -1.798 1.00 0.00 N ATOM 608 CA PHE A 43 3.864 4.733 -1.193 1.00 0.00 C ATOM 609 C PHE A 43 4.154 3.621 -2.197 1.00 0.00 C ATOM 610 O PHE A 43 4.402 3.882 -3.375 1.00 0.00 O ATOM 611 CB PHE A 43 2.433 4.600 -0.668 1.00 0.00 C ATOM 612 CG PHE A 43 1.427 4.294 -1.740 1.00 0.00 C ATOM 613 CD1 PHE A 43 0.874 5.311 -2.501 1.00 0.00 C ATOM 614 CD2 PHE A 43 1.034 2.988 -1.987 1.00 0.00 C ATOM 615 CE1 PHE A 43 -0.052 5.033 -3.489 1.00 0.00 C ATOM 616 CE2 PHE A 43 0.109 2.704 -2.974 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.436 3.727 -3.725 1.00 0.00 C ATOM 0 H PHE A 43 3.977 6.056 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 43 4.560 4.637 -0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.402 3.811 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.150 5.527 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.170 6.334 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.455 2.184 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.475 5.835 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.188 1.682 -3.158 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.161 3.507 -4.495 1.00 0.00 H new ATOM 627 N LEU A 44 4.122 2.380 -1.723 1.00 0.00 N ATOM 628 CA LEU A 44 4.382 1.227 -2.578 1.00 0.00 C ATOM 629 C LEU A 44 4.155 -0.076 -1.818 1.00 0.00 C ATOM 630 O LEU A 44 4.404 -0.158 -0.616 1.00 0.00 O ATOM 631 CB LEU A 44 5.815 1.276 -3.112 1.00 0.00 C ATOM 632 CG LEU A 44 6.922 1.016 -2.089 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.080 -0.476 -1.842 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.235 1.623 -2.559 1.00 0.00 C ATOM 0 H LEU A 44 3.919 2.147 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 44 3.687 1.263 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.908 0.542 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.982 2.257 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 44 6.641 1.491 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.872 -0.642 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.143 -0.883 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.338 -0.974 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.011 1.428 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.522 1.177 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.114 2.699 -2.684 1.00 0.00 H new ATOM 646 N VAL A 45 3.681 -1.094 -2.530 1.00 0.00 N ATOM 647 CA VAL A 45 3.423 -2.395 -1.924 1.00 0.00 C ATOM 648 C VAL A 45 4.274 -3.481 -2.572 1.00 0.00 C ATOM 649 O VAL A 45 4.019 -3.891 -3.705 1.00 0.00 O ATOM 650 CB VAL A 45 1.937 -2.784 -2.041 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.640 -4.017 -1.202 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.049 -1.621 -1.627 1.00 0.00 C ATOM 0 H VAL A 45 3.468 -1.043 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 45 3.687 -2.311 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 45 1.722 -3.023 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.586 -4.277 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.252 -4.850 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.870 -3.810 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.003 -1.913 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.264 -1.349 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.243 -0.766 -2.275 1.00 0.00 H new ATOM 662 N ARG A 46 5.286 -3.945 -1.846 1.00 0.00 N ATOM 663 CA ARG A 46 6.175 -4.984 -2.350 1.00 0.00 C ATOM 664 C ARG A 46 5.933 -6.306 -1.627 1.00 0.00 C ATOM 665 O ARG A 46 5.180 -6.363 -0.654 1.00 0.00 O ATOM 666 CB ARG A 46 7.636 -4.560 -2.184 1.00 0.00 C ATOM 667 CG ARG A 46 8.044 -4.335 -0.738 1.00 0.00 C ATOM 668 CD ARG A 46 9.472 -3.824 -0.635 1.00 0.00 C ATOM 669 NE ARG A 46 10.110 -4.228 0.615 1.00 0.00 N ATOM 670 CZ ARG A 46 9.959 -3.575 1.762 1.00 0.00 C ATOM 671 NH1 ARG A 46 9.196 -2.493 1.817 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.572 -4.006 2.858 1.00 0.00 N ATOM 0 H ARG A 46 5.510 -3.617 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 46 5.962 -5.125 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.279 -5.325 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.805 -3.642 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.366 -3.618 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.949 -5.268 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.053 -4.201 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.474 -2.736 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 46 10.704 -5.057 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.723 -2.159 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.082 -1.994 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.159 -4.839 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.456 -3.504 3.738 1.00 0.00 H new ATOM 686 N ASP A 47 6.575 -7.364 -2.108 1.00 0.00 N ATOM 687 CA ASP A 47 6.430 -8.685 -1.508 1.00 0.00 C ATOM 688 C ASP A 47 7.265 -8.798 -0.236 1.00 0.00 C ATOM 689 O ASP A 47 8.485 -8.633 -0.266 1.00 0.00 O ATOM 690 CB ASP A 47 6.845 -9.770 -2.503 1.00 0.00 C ATOM 691 CG ASP A 47 6.673 -11.167 -1.941 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.904 -11.351 -0.728 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.308 -12.077 -2.715 1.00 0.00 O ATOM 0 H ASP A 47 7.201 -7.333 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 47 5.381 -8.825 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.251 -9.672 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.887 -9.621 -2.785 1.00 0.00 H new ATOM 698 N SER A 48 6.600 -9.080 0.880 1.00 0.00 N ATOM 699 CA SER A 48 7.280 -9.211 2.163 1.00 0.00 C ATOM 700 C SER A 48 8.334 -10.313 2.110 1.00 0.00 C ATOM 701 O SER A 48 8.014 -11.483 1.905 1.00 0.00 O ATOM 702 CB SER A 48 6.269 -9.509 3.272 1.00 0.00 C ATOM 703 OG SER A 48 6.916 -9.662 4.523 1.00 0.00 O ATOM 0 H SER A 48 5.591 -9.222 0.921 1.00 0.00 H new ATOM 0 HA SER A 48 7.778 -8.266 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.541 -8.700 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.717 -10.417 3.031 1.00 0.00 H new ATOM 0 HG SER A 48 6.249 -9.850 5.216 1.00 0.00 H new ATOM 766 N ASP A 54 2.547 -12.549 3.113 1.00 0.00 N ATOM 767 CA ASP A 54 2.330 -11.222 3.678 1.00 0.00 C ATOM 768 C ASP A 54 2.944 -10.146 2.788 1.00 0.00 C ATOM 769 O ASP A 54 3.817 -10.429 1.967 1.00 0.00 O ATOM 770 CB ASP A 54 2.925 -11.140 5.085 1.00 0.00 C ATOM 771 CG ASP A 54 2.115 -11.919 6.102 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.757 -13.080 5.813 1.00 0.00 O ATOM 773 OD2 ASP A 54 1.840 -11.368 7.188 1.00 0.00 O ATOM 0 HA ASP A 54 1.255 -11.050 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.946 -11.522 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.981 -10.096 5.392 1.00 0.00 H new ATOM 778 N TYR A 55 2.483 -8.912 2.957 1.00 0.00 N ATOM 779 CA TYR A 55 2.984 -7.794 2.167 1.00 0.00 C ATOM 780 C TYR A 55 3.537 -6.694 3.069 1.00 0.00 C ATOM 781 O TYR A 55 3.404 -6.752 4.291 1.00 0.00 O ATOM 782 CB TYR A 55 1.873 -7.230 1.280 1.00 0.00 C ATOM 783 CG TYR A 55 1.526 -8.118 0.106 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.523 -8.705 -0.664 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.203 -8.370 -0.233 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.211 -9.516 -1.738 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.119 -9.181 -1.304 1.00 0.00 C ATOM 788 CZ TYR A 55 0.889 -9.752 -2.053 1.00 0.00 C ATOM 789 OH TYR A 55 0.573 -10.559 -3.122 1.00 0.00 O ATOM 0 H TYR A 55 1.763 -8.661 3.634 1.00 0.00 H new ATOM 0 HA TYR A 55 3.792 -8.162 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.979 -7.076 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.178 -6.252 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.559 -8.524 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.588 -7.924 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.998 -9.963 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.153 -9.367 -1.553 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.401 -10.623 -3.207 1.00 0.00 H new ATOM 799 N VAL A 56 4.159 -5.692 2.456 1.00 0.00 N ATOM 800 CA VAL A 56 4.732 -4.577 3.201 1.00 0.00 C ATOM 801 C VAL A 56 4.511 -3.257 2.472 1.00 0.00 C ATOM 802 O VAL A 56 5.163 -2.975 1.465 1.00 0.00 O ATOM 803 CB VAL A 56 6.241 -4.775 3.436 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.820 -3.600 4.208 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.498 -6.084 4.169 1.00 0.00 C ATOM 0 H VAL A 56 4.279 -5.629 1.445 1.00 0.00 H new ATOM 0 HA VAL A 56 4.223 -4.546 4.164 1.00 0.00 H new ATOM 0 HB VAL A 56 6.739 -4.823 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.887 -3.758 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.668 -2.682 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.320 -3.517 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.569 -6.208 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.989 -6.068 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.120 -6.915 3.573 1.00 0.00 H new ATOM 815 N LEU A 57 3.588 -2.451 2.985 1.00 0.00 N ATOM 816 CA LEU A 57 3.281 -1.158 2.382 1.00 0.00 C ATOM 817 C LEU A 57 4.146 -0.057 2.986 1.00 0.00 C ATOM 818 O LEU A 57 4.014 0.275 4.164 1.00 0.00 O ATOM 819 CB LEU A 57 1.801 -0.823 2.574 1.00 0.00 C ATOM 820 CG LEU A 57 1.380 0.598 2.198 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.945 1.602 3.192 1.00 0.00 C ATOM 822 CD2 LEU A 57 1.833 0.932 0.784 1.00 0.00 C ATOM 0 H LEU A 57 3.039 -2.669 3.817 1.00 0.00 H new ATOM 0 HA LEU A 57 3.498 -1.221 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.211 -1.524 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.544 -0.992 3.620 1.00 0.00 H new ATOM 0 HG LEU A 57 0.292 0.656 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.635 2.608 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.572 1.375 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.033 1.543 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.525 1.947 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.919 0.857 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.380 0.232 0.082 1.00 0.00 H new ATOM 834 N SER A 58 5.031 0.507 2.170 1.00 0.00 N ATOM 835 CA SER A 58 5.919 1.571 2.624 1.00 0.00 C ATOM 836 C SER A 58 5.439 2.930 2.125 1.00 0.00 C ATOM 837 O SER A 58 4.756 3.024 1.105 1.00 0.00 O ATOM 838 CB SER A 58 7.348 1.313 2.140 1.00 0.00 C ATOM 839 OG SER A 58 7.833 0.072 2.623 1.00 0.00 O ATOM 0 H SER A 58 5.152 0.245 1.192 1.00 0.00 H new ATOM 0 HA SER A 58 5.908 1.579 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.373 1.318 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.001 2.118 2.477 1.00 0.00 H new ATOM 0 HG SER A 58 8.528 0.232 3.295 1.00 0.00 H new ATOM 845 N VAL A 59 5.801 3.983 2.851 1.00 0.00 N ATOM 846 CA VAL A 59 5.409 5.338 2.483 1.00 0.00 C ATOM 847 C VAL A 59 6.444 6.355 2.950 1.00 0.00 C ATOM 848 O VAL A 59 7.174 6.117 3.912 1.00 0.00 O ATOM 849 CB VAL A 59 4.038 5.706 3.079 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.102 4.507 3.049 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.197 6.233 4.497 1.00 0.00 C ATOM 0 H VAL A 59 6.366 3.923 3.698 1.00 0.00 H new ATOM 0 HA VAL A 59 5.343 5.365 1.395 1.00 0.00 H new ATOM 0 HB VAL A 59 3.598 6.495 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.138 4.787 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.963 4.180 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.534 3.694 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.218 6.488 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.659 5.467 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.828 7.122 4.486 1.00 0.00 H new ATOM 861 N SER A 60 6.501 7.491 2.262 1.00 0.00 N ATOM 862 CA SER A 60 7.449 8.545 2.604 1.00 0.00 C ATOM 863 C SER A 60 6.834 9.529 3.594 1.00 0.00 C ATOM 864 O SER A 60 6.204 10.510 3.199 1.00 0.00 O ATOM 865 CB SER A 60 7.897 9.286 1.342 1.00 0.00 C ATOM 866 OG SER A 60 9.081 10.028 1.580 1.00 0.00 O ATOM 0 H SER A 60 5.902 7.705 1.465 1.00 0.00 H new ATOM 0 HA SER A 60 8.317 8.081 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.068 8.571 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.105 9.956 1.009 1.00 0.00 H new ATOM 0 HG SER A 60 9.862 9.468 1.388 1.00 0.00 H new ATOM 872 N GLU A 61 7.021 9.258 4.882 1.00 0.00 N ATOM 873 CA GLU A 61 6.483 10.120 5.929 1.00 0.00 C ATOM 874 C GLU A 61 7.494 10.299 7.058 1.00 0.00 C ATOM 875 O GLU A 61 8.322 9.424 7.309 1.00 0.00 O ATOM 876 CB GLU A 61 5.182 9.535 6.482 1.00 0.00 C ATOM 877 CG GLU A 61 4.545 10.388 7.566 1.00 0.00 C ATOM 878 CD GLU A 61 3.520 9.624 8.383 1.00 0.00 C ATOM 879 OE1 GLU A 61 2.342 9.585 7.971 1.00 0.00 O ATOM 880 OE2 GLU A 61 3.898 9.065 9.434 1.00 0.00 O ATOM 0 H GLU A 61 7.540 8.450 5.225 1.00 0.00 H new ATOM 0 HA GLU A 61 6.277 11.097 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.472 9.412 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.382 8.541 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.323 10.767 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.067 11.254 7.108 1.00 0.00 H new ATOM 887 N ASN A 62 7.420 11.441 7.734 1.00 0.00 N ATOM 888 CA ASN A 62 8.328 11.737 8.836 1.00 0.00 C ATOM 889 C ASN A 62 9.779 11.712 8.366 1.00 0.00 C ATOM 890 O ASN A 62 10.663 11.224 9.071 1.00 0.00 O ATOM 891 CB ASN A 62 8.131 10.731 9.972 1.00 0.00 C ATOM 892 CG ASN A 62 7.012 11.133 10.913 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.203 11.963 11.802 1.00 0.00 O ATOM 894 ND2 ASN A 62 5.837 10.545 10.721 1.00 0.00 N ATOM 0 H ASN A 62 6.741 12.176 7.538 1.00 0.00 H new ATOM 0 HA ASN A 62 8.100 12.738 9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.913 9.750 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.059 10.637 10.535 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.047 10.776 11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.725 9.863 9.971 1.00 0.00 H new ATOM 901 N SER A 63 10.018 12.242 7.170 1.00 0.00 N ATOM 902 CA SER A 63 11.361 12.278 6.604 1.00 0.00 C ATOM 903 C SER A 63 11.977 10.882 6.579 1.00 0.00 C ATOM 904 O SER A 63 13.197 10.729 6.647 1.00 0.00 O ATOM 905 CB SER A 63 12.251 13.227 7.408 1.00 0.00 C ATOM 906 OG SER A 63 13.465 13.488 6.726 1.00 0.00 O ATOM 0 H SER A 63 9.299 12.652 6.575 1.00 0.00 H new ATOM 0 HA SER A 63 11.288 12.642 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.722 14.163 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.465 12.791 8.384 1.00 0.00 H new ATOM 0 HG SER A 63 13.828 12.650 6.371 1.00 0.00 H new ATOM 912 N ARG A 64 11.125 9.867 6.481 1.00 0.00 N ATOM 913 CA ARG A 64 11.585 8.484 6.449 1.00 0.00 C ATOM 914 C ARG A 64 10.591 7.598 5.703 1.00 0.00 C ATOM 915 O ARG A 64 9.558 8.070 5.226 1.00 0.00 O ATOM 916 CB ARG A 64 11.786 7.957 7.871 1.00 0.00 C ATOM 917 CG ARG A 64 10.498 7.865 8.674 1.00 0.00 C ATOM 918 CD ARG A 64 10.772 7.507 10.126 1.00 0.00 C ATOM 919 NE ARG A 64 9.593 7.695 10.968 1.00 0.00 N ATOM 920 CZ ARG A 64 9.653 7.925 12.274 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.827 7.996 12.886 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.536 8.086 12.972 1.00 0.00 N ATOM 0 H ARG A 64 10.113 9.976 6.422 1.00 0.00 H new ATOM 0 HA ARG A 64 12.538 8.457 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.245 6.970 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.485 8.608 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.969 8.817 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.844 7.115 8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.100 6.469 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.589 8.122 10.503 1.00 0.00 H new ATOM 0 HE ARG A 64 8.674 7.647 10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.688 7.874 12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.869 8.173 13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.631 8.033 12.505 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.583 8.263 13.975 1.00 0.00 H new ATOM 936 N VAL A 65 10.911 6.312 5.604 1.00 0.00 N ATOM 937 CA VAL A 65 10.046 5.360 4.917 1.00 0.00 C ATOM 938 C VAL A 65 9.317 4.463 5.911 1.00 0.00 C ATOM 939 O VAL A 65 9.874 3.482 6.403 1.00 0.00 O ATOM 940 CB VAL A 65 10.847 4.479 3.939 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.918 3.545 3.179 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.650 5.344 2.980 1.00 0.00 C ATOM 0 H VAL A 65 11.763 5.905 5.991 1.00 0.00 H new ATOM 0 HA VAL A 65 9.316 5.943 4.355 1.00 0.00 H new ATOM 0 HB VAL A 65 11.545 3.869 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.501 2.931 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.392 2.902 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.194 4.132 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.210 4.706 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.973 5.980 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.344 5.967 3.545 1.00 0.00 H new ATOM 952 N SER A 66 8.066 4.806 6.201 1.00 0.00 N ATOM 953 CA SER A 66 7.260 4.034 7.139 1.00 0.00 C ATOM 954 C SER A 66 6.879 2.682 6.544 1.00 0.00 C ATOM 955 O SER A 66 6.006 2.596 5.679 1.00 0.00 O ATOM 956 CB SER A 66 5.998 4.811 7.520 1.00 0.00 C ATOM 957 OG SER A 66 6.263 5.739 8.557 1.00 0.00 O ATOM 0 H SER A 66 7.589 5.613 5.800 1.00 0.00 H new ATOM 0 HA SER A 66 7.856 3.861 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.614 5.337 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.222 4.116 7.840 1.00 0.00 H new ATOM 0 HG SER A 66 5.441 6.223 8.780 1.00 0.00 H new ATOM 963 N HIS A 67 7.540 1.629 7.012 1.00 0.00 N ATOM 964 CA HIS A 67 7.271 0.280 6.527 1.00 0.00 C ATOM 965 C HIS A 67 6.087 -0.338 7.266 1.00 0.00 C ATOM 966 O HIS A 67 6.224 -0.805 8.396 1.00 0.00 O ATOM 967 CB HIS A 67 8.509 -0.602 6.696 1.00 0.00 C ATOM 968 CG HIS A 67 9.732 -0.050 6.032 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.934 -0.096 4.668 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.821 0.563 6.551 1.00 0.00 C ATOM 971 CE1 HIS A 67 11.095 0.464 4.378 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.653 0.873 5.503 1.00 0.00 N ATOM 0 H HIS A 67 8.266 1.683 7.727 1.00 0.00 H new ATOM 0 HA HIS A 67 7.022 0.345 5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.710 -0.732 7.759 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.299 -1.591 6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 67 11.002 0.770 7.595 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.516 0.569 3.389 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.555 1.343 5.581 1.00 0.00 H new ATOM 981 N TYR A 68 4.927 -0.335 6.619 1.00 0.00 N ATOM 982 CA TYR A 68 3.718 -0.892 7.216 1.00 0.00 C ATOM 983 C TYR A 68 3.474 -2.315 6.725 1.00 0.00 C ATOM 984 O TYR A 68 3.095 -2.530 5.573 1.00 0.00 O ATOM 985 CB TYR A 68 2.511 -0.013 6.888 1.00 0.00 C ATOM 986 CG TYR A 68 2.572 1.361 7.517 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.835 1.514 8.873 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.369 2.505 6.756 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.892 2.767 9.452 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.425 3.762 7.326 1.00 0.00 C ATOM 991 CZ TYR A 68 2.686 3.888 8.674 1.00 0.00 C ATOM 992 OH TYR A 68 2.744 5.138 9.247 1.00 0.00 O ATOM 0 H TYR A 68 4.798 0.046 5.682 1.00 0.00 H new ATOM 0 HA TYR A 68 3.856 -0.919 8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.435 0.095 5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.604 -0.516 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.998 0.639 9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.164 2.410 5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.097 2.869 10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.265 4.641 6.719 1.00 0.00 H new ATOM 0 HH TYR A 68 2.578 5.820 8.563 1.00 0.00 H new ATOM 1002 N ILE A 69 3.693 -3.285 7.607 1.00 0.00 N ATOM 1003 CA ILE A 69 3.495 -4.688 7.264 1.00 0.00 C ATOM 1004 C ILE A 69 2.012 -5.037 7.214 1.00 0.00 C ATOM 1005 O ILE A 69 1.241 -4.644 8.090 1.00 0.00 O ATOM 1006 CB ILE A 69 4.196 -5.617 8.273 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.700 -5.341 8.294 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.924 -7.074 7.927 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.436 -6.087 9.385 1.00 0.00 C ATOM 0 H ILE A 69 4.007 -3.125 8.564 1.00 0.00 H new ATOM 0 HA ILE A 69 3.934 -4.838 6.278 1.00 0.00 H new ATOM 0 HB ILE A 69 3.796 -5.418 9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.125 -5.614 7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.863 -4.271 8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.426 -7.719 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.851 -7.261 7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.301 -7.287 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.497 -5.843 9.340 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.038 -5.796 10.357 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.304 -7.160 9.245 1.00 0.00 H new ATOM 1021 N ILE A 70 1.619 -5.779 6.183 1.00 0.00 N ATOM 1022 CA ILE A 70 0.229 -6.184 6.020 1.00 0.00 C ATOM 1023 C ILE A 70 0.029 -7.641 6.424 1.00 0.00 C ATOM 1024 O ILE A 70 0.384 -8.555 5.682 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.246 -5.997 4.567 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.356 -4.508 4.231 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.580 -6.694 4.351 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.925 -3.914 3.688 1.00 0.00 C ATOM 0 H ILE A 70 2.244 -6.111 5.449 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.364 -5.543 6.673 1.00 0.00 H new ATOM 0 HB ILE A 70 0.489 -6.448 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.151 -4.367 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.648 -3.962 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.902 -6.552 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.471 -7.759 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.325 -6.271 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.773 -2.856 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.719 -4.023 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.208 -4.434 2.773 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.542 -7.848 7.606 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.790 -9.195 8.109 1.00 0.00 C ATOM 1042 C ASN A 71 -1.830 -9.912 7.253 1.00 0.00 C ATOM 1043 O ASN A 71 -2.889 -9.361 6.954 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.261 -9.139 9.564 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.189 -8.614 10.499 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.442 -7.728 11.316 1.00 0.00 O ATOM 1047 ND2 ASN A 71 1.016 -9.161 10.383 1.00 0.00 N ATOM 0 H ASN A 71 -0.842 -7.101 8.233 1.00 0.00 H new ATOM 0 HA ASN A 71 0.144 -9.754 8.058 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.143 -8.502 9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.562 -10.137 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.778 -8.849 10.986 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.179 -9.893 9.691 1.00 0.00 H new ATOM 1054 N SER A 72 -1.519 -11.144 6.864 1.00 0.00 N ATOM 1055 CA SER A 72 -2.425 -11.937 6.040 1.00 0.00 C ATOM 1056 C SER A 72 -3.456 -12.656 6.904 1.00 0.00 C ATOM 1057 O SER A 72 -3.111 -13.506 7.725 1.00 0.00 O ATOM 1058 CB SER A 72 -1.637 -12.955 5.213 1.00 0.00 C ATOM 1059 OG SER A 72 -2.502 -13.741 4.413 1.00 0.00 O ATOM 0 H SER A 72 -0.647 -11.615 7.106 1.00 0.00 H new ATOM 0 HA SER A 72 -2.950 -11.260 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.921 -12.435 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.063 -13.601 5.877 1.00 0.00 H new ATOM 0 HG SER A 72 -1.974 -14.382 3.893 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.724 -12.308 6.712 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.808 -12.920 7.473 1.00 0.00 C ATOM 1067 C LEU A 73 -6.247 -14.234 6.836 1.00 0.00 C ATOM 1068 O LEU A 73 -6.135 -14.434 5.627 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.998 -11.962 7.563 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.673 -10.526 7.976 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.920 -9.657 7.911 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.072 -10.495 9.374 1.00 0.00 C ATOM 0 H LEU A 73 -5.026 -11.606 6.037 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.440 -13.130 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.493 -11.937 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.715 -12.370 8.275 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.938 -10.125 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.670 -8.639 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.308 -9.653 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.677 -10.056 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.847 -9.465 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.783 -10.915 10.085 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.154 -11.083 9.389 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.760 -15.153 7.668 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.228 -16.464 7.208 1.00 0.00 C ATOM 1086 C PRO A 74 -8.501 -16.365 6.374 1.00 0.00 C ATOM 1087 O PRO A 74 -8.824 -17.271 5.607 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.500 -17.221 8.510 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.776 -16.157 9.516 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.923 -14.983 9.121 1.00 0.00 C ATOM 0 HA PRO A 74 -6.500 -16.952 6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.349 -17.897 8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.643 -17.829 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.832 -15.888 9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.530 -16.497 10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.406 -14.036 9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.963 -14.992 9.637 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.220 -15.258 6.529 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.459 -15.040 5.790 1.00 0.00 C ATOM 1100 C ASN A 75 -10.185 -14.336 4.465 1.00 0.00 C ATOM 1101 O ASN A 75 -10.918 -13.429 4.069 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.438 -14.215 6.627 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.800 -12.962 7.196 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.624 -12.687 6.955 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.574 -12.196 7.955 1.00 0.00 N ATOM 0 H ASN A 75 -8.966 -14.498 7.160 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.903 -16.013 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.293 -13.936 6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.820 -14.828 7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.200 -11.340 8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.543 -12.463 8.128 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.125 -14.760 3.784 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.754 -14.169 2.504 1.00 0.00 C ATOM 1114 C ARG A 76 -8.843 -12.647 2.561 1.00 0.00 C ATOM 1115 O ARG A 76 -9.474 -12.020 1.710 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.658 -14.702 1.391 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.630 -16.216 1.255 1.00 0.00 C ATOM 1118 CD ARG A 76 -9.986 -16.656 -0.156 1.00 0.00 C ATOM 1119 NE ARG A 76 -10.203 -18.097 -0.242 1.00 0.00 N ATOM 1120 CZ ARG A 76 -10.747 -18.697 -1.295 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -11.127 -17.983 -2.346 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -10.912 -20.014 -1.299 1.00 0.00 N ATOM 0 H ARG A 76 -8.509 -15.510 4.097 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.722 -14.447 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.682 -14.382 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.356 -14.255 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.638 -16.587 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.331 -16.659 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.886 -16.134 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.186 -16.369 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.921 -18.675 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.002 -16.971 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.544 -18.446 -3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.621 -20.567 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.330 -20.473 -2.108 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.207 -12.060 3.569 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.216 -10.612 3.738 1.00 0.00 C ATOM 1138 C ARG A 77 -6.873 -10.118 4.269 1.00 0.00 C ATOM 1139 O ARG A 77 -6.083 -10.895 4.807 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.337 -10.195 4.691 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.687 -10.035 4.010 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.776 -9.679 5.010 1.00 0.00 C ATOM 1143 NE ARG A 77 -12.947 -9.097 4.359 1.00 0.00 N ATOM 1144 CZ ARG A 77 -13.986 -8.602 5.023 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.999 -8.618 6.348 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.015 -8.089 4.360 1.00 0.00 N ATOM 0 H ARG A 77 -7.679 -12.565 4.281 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.391 -10.159 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.425 -10.939 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.066 -9.253 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.622 -9.257 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.950 -10.961 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.073 -10.574 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.380 -8.975 5.742 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.968 -9.069 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.210 -9.011 6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.798 -8.237 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.009 -8.075 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.812 -7.709 4.870 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.621 -8.823 4.114 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.373 -8.226 4.576 1.00 0.00 C ATOM 1162 C PHE A 78 -5.604 -7.387 5.829 1.00 0.00 C ATOM 1163 O PHE A 78 -6.720 -6.942 6.097 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.759 -7.359 3.474 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.181 -8.154 2.339 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.225 -9.128 2.574 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.595 -7.927 1.036 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.691 -9.861 1.530 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.065 -8.657 -0.012 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.112 -9.625 0.236 1.00 0.00 C ATOM 0 H PHE A 78 -7.264 -8.166 3.672 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.682 -9.032 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.523 -6.686 3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.976 -6.736 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.893 -9.317 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.340 -7.171 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.945 -10.617 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.396 -8.470 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.696 -10.197 -0.581 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.539 -7.175 6.596 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.622 -6.390 7.822 1.00 0.00 C ATOM 1182 C LYS A 79 -3.371 -5.537 8.007 1.00 0.00 C ATOM 1183 O LYS A 79 -2.306 -6.048 8.352 1.00 0.00 O ATOM 1184 CB LYS A 79 -4.808 -7.310 9.030 1.00 0.00 C ATOM 1185 CG LYS A 79 -4.876 -6.569 10.354 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.511 -7.475 11.519 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.166 -7.012 12.811 1.00 0.00 C ATOM 1188 NZ LYS A 79 -6.513 -7.618 12.999 1.00 0.00 N ATOM 0 H LYS A 79 -3.608 -7.536 6.390 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.484 -5.728 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.723 -7.887 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.984 -8.022 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.199 -5.715 10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.881 -6.174 10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.821 -8.496 11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.428 -7.491 11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.529 -7.275 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.254 -5.926 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.121 -6.957 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.938 -7.815 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.423 -8.505 13.534 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.509 -4.235 7.777 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.390 -3.312 7.922 1.00 0.00 C ATOM 1204 C ILE A 80 -2.412 -2.631 9.286 1.00 0.00 C ATOM 1205 O ILE A 80 -3.175 -1.693 9.511 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.405 -2.234 6.822 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.289 -1.215 7.062 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.759 -1.543 6.776 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -0.863 -0.478 5.811 1.00 0.00 C ATOM 0 H ILE A 80 -4.384 -3.796 7.490 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.479 -3.903 7.829 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.232 -2.715 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.623 -0.490 7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.425 -1.728 7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.754 -0.784 5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.535 -2.278 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.960 -1.071 7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.069 0.227 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.498 -1.193 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.715 0.063 5.400 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.567 -3.111 10.194 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.504 -2.535 11.525 1.00 0.00 C ATOM 1223 C GLY A 81 -2.649 -2.989 12.408 1.00 0.00 C ATOM 1224 O GLY A 81 -2.690 -4.141 12.841 1.00 0.00 O ATOM 0 H GLY A 81 -0.926 -3.887 10.032 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.558 -2.810 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.518 -1.448 11.448 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.582 -2.082 12.676 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.734 -2.395 13.514 1.00 0.00 C ATOM 1230 C ASP A 82 -6.032 -2.271 12.721 1.00 0.00 C ATOM 1231 O ASP A 82 -7.087 -1.978 13.283 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.774 -1.468 14.730 1.00 0.00 C ATOM 1233 CG ASP A 82 -3.590 -1.673 15.653 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -2.502 -1.140 15.351 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.751 -2.367 16.679 1.00 0.00 O ATOM 0 H ASP A 82 -3.563 -1.124 12.325 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.635 -3.425 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.793 -0.432 14.393 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.697 -1.640 15.284 1.00 0.00 H new ATOM 1240 N GLN A 83 -5.945 -2.496 11.414 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.112 -2.408 10.545 1.00 0.00 C ATOM 1242 C GLN A 83 -7.140 -3.564 9.552 1.00 0.00 C ATOM 1243 O GLN A 83 -6.128 -4.227 9.328 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.116 -1.075 9.794 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.281 0.134 10.701 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.730 0.407 11.052 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.642 0.016 10.322 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.951 1.081 12.175 1.00 0.00 N ATOM 0 H GLN A 83 -5.079 -2.740 10.934 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.003 -2.468 11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.183 -0.978 9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.923 -1.082 9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.713 -0.024 11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.858 1.011 10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.165 1.386 12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.906 1.294 12.463 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.306 -3.801 8.959 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.465 -4.879 7.990 1.00 0.00 C ATOM 1259 C GLU A 84 -9.250 -4.404 6.771 1.00 0.00 C ATOM 1260 O GLU A 84 -10.152 -3.574 6.884 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.175 -6.073 8.633 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.460 -6.617 9.859 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.254 -7.700 10.563 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.501 -7.646 10.520 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -8.627 -8.602 11.158 1.00 0.00 O ATOM 0 H GLU A 84 -9.154 -3.261 9.133 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.472 -5.188 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.186 -5.776 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.270 -6.869 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.490 -7.017 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.268 -5.801 10.556 1.00 0.00 H new ATOM 1272 N PHE A 85 -8.899 -4.936 5.604 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.568 -4.566 4.363 1.00 0.00 C ATOM 1274 C PHE A 85 -9.935 -5.805 3.552 1.00 0.00 C ATOM 1275 O PHE A 85 -9.723 -6.934 3.994 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.674 -3.644 3.531 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.384 -2.329 4.197 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.273 -1.272 4.088 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.223 -2.151 4.933 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.008 -0.061 4.698 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -6.954 -0.942 5.546 1.00 0.00 C ATOM 1282 CZ PHE A 85 -7.848 0.104 5.430 1.00 0.00 C ATOM 0 H PHE A 85 -8.155 -5.625 5.493 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.486 -4.036 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.733 -4.153 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.153 -3.458 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.183 -1.396 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.521 -2.966 5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.707 0.756 4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.045 -0.815 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.641 1.049 5.910 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.485 -5.585 2.363 1.00 0.00 N ATOM 1293 CA ASP A 86 -10.881 -6.683 1.489 1.00 0.00 C ATOM 1294 C ASP A 86 -9.718 -7.120 0.604 1.00 0.00 C ATOM 1295 O ASP A 86 -9.627 -8.283 0.209 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.070 -6.269 0.621 1.00 0.00 C ATOM 1297 CG ASP A 86 -12.870 -7.460 0.128 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.018 -8.433 0.896 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.347 -7.418 -1.025 1.00 0.00 O ATOM 0 H ASP A 86 -10.667 -4.656 1.982 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.174 -7.525 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.722 -5.609 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.710 -5.698 -0.235 1.00 0.00 H new ATOM 1304 N HIS A 87 -8.830 -6.180 0.296 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.671 -6.468 -0.542 1.00 0.00 C ATOM 1306 C HIS A 87 -6.763 -5.248 -0.652 1.00 0.00 C ATOM 1307 O HIS A 87 -6.996 -4.227 -0.003 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.121 -6.911 -1.935 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.356 -6.213 -2.415 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.358 -4.909 -2.864 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.635 -6.646 -2.517 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.584 -4.570 -3.220 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.378 -5.606 -3.019 1.00 0.00 N ATOM 0 H HIS A 87 -8.891 -5.213 0.614 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.108 -7.276 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.313 -6.730 -2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.302 -7.986 -1.925 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.002 -7.627 -2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.886 -3.609 -3.609 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.380 -5.630 -3.206 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.727 -5.359 -1.476 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.782 -4.265 -1.670 1.00 0.00 C ATOM 1324 C LEU A 88 -5.501 -3.001 -2.131 1.00 0.00 C ATOM 1325 O LEU A 88 -5.467 -1.962 -1.471 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.716 -4.660 -2.693 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.419 -5.235 -2.123 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.770 -4.244 -1.170 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -2.686 -6.558 -1.420 1.00 0.00 C ATOM 0 H LEU A 88 -5.520 -6.196 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.300 -4.060 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.148 -5.395 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.469 -3.781 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.731 -5.418 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.848 -4.670 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.543 -3.321 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.453 -4.029 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.752 -6.953 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.392 -6.401 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.106 -7.270 -2.131 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.171 -3.089 -3.290 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.913 -1.962 -3.863 1.00 0.00 C ATOM 1343 C PRO A 89 -8.160 -1.619 -3.056 1.00 0.00 C ATOM 1344 O PRO A 89 -8.992 -0.823 -3.490 1.00 0.00 O ATOM 1345 CB PRO A 89 -7.299 -2.464 -5.256 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.321 -3.949 -5.132 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.255 -4.296 -4.129 1.00 0.00 C ATOM 0 HA PRO A 89 -6.321 -1.047 -3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.272 -2.078 -5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.578 -2.140 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.298 -4.299 -4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.122 -4.424 -6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.525 -5.175 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.304 -4.516 -4.613 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.283 -2.225 -1.879 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.428 -1.981 -1.010 1.00 0.00 C ATOM 1357 C ALA A 90 -9.024 -1.169 0.216 1.00 0.00 C ATOM 1358 O ALA A 90 -9.862 -0.533 0.856 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.060 -3.299 -0.587 1.00 0.00 C ATOM 0 H ALA A 90 -7.604 -2.888 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.161 -1.402 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.914 -3.102 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.394 -3.843 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.326 -3.898 -0.048 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.735 -1.194 0.538 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.219 -0.460 1.688 1.00 0.00 C ATOM 1367 C LEU A 91 -6.605 0.867 1.256 1.00 0.00 C ATOM 1368 O LEU A 91 -6.810 1.897 1.900 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.178 -1.301 2.429 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.832 -1.475 1.725 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.913 -0.302 2.032 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.180 -2.787 2.136 1.00 0.00 C ATOM 0 H LEU A 91 -7.028 -1.715 0.019 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.052 -0.251 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.000 -0.846 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.601 -2.289 2.611 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.008 -1.501 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.960 -0.443 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.375 0.623 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.744 -0.244 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.223 -2.894 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.018 -2.791 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.831 -3.618 1.864 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.852 0.836 0.162 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.209 2.038 -0.358 1.00 0.00 C ATOM 1386 C LEU A 92 -6.241 3.118 -0.666 1.00 0.00 C ATOM 1387 O LEU A 92 -5.987 4.306 -0.469 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.409 1.707 -1.619 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.367 0.596 -1.481 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.903 0.126 -2.850 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.185 1.073 -0.649 1.00 0.00 C ATOM 0 H LEU A 92 -5.672 -0.008 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.531 2.417 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.109 1.425 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.903 2.613 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.829 -0.247 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.162 -0.664 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.755 -0.257 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.459 0.962 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.454 0.269 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.723 1.933 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.531 1.359 0.344 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.406 2.696 -1.147 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.477 3.629 -1.480 1.00 0.00 C ATOM 1405 C GLU A 93 -9.115 4.197 -0.216 1.00 0.00 C ATOM 1406 O GLU A 93 -9.573 5.340 -0.199 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.540 2.935 -2.334 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.274 1.821 -1.606 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.581 1.448 -2.278 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.117 2.283 -3.036 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.067 0.321 -2.046 1.00 0.00 O ATOM 0 H GLU A 93 -7.632 1.716 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.045 4.452 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.264 3.677 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.066 2.524 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.632 0.941 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.473 2.132 -0.580 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.143 3.392 0.840 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.727 3.813 2.108 1.00 0.00 C ATOM 1420 C PHE A 94 -8.803 4.786 2.835 1.00 0.00 C ATOM 1421 O PHE A 94 -9.244 5.559 3.686 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.005 2.597 2.995 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.078 2.836 4.019 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.389 3.059 3.629 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.775 2.836 5.371 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.377 3.279 4.570 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.760 3.055 6.316 1.00 0.00 C ATOM 1428 CZ PHE A 94 -13.063 3.276 5.915 1.00 0.00 C ATOM 0 H PHE A 94 -8.768 2.444 0.843 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.667 4.321 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.296 1.756 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.085 2.311 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.641 3.061 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.758 2.663 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.395 3.453 4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.511 3.053 7.367 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.835 3.446 6.651 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.520 4.741 2.494 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.533 5.616 3.116 1.00 0.00 C ATOM 1440 C TYR A 95 -6.533 6.992 2.457 1.00 0.00 C ATOM 1441 O TYR A 95 -6.207 7.997 3.090 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.139 4.993 3.023 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.787 4.118 4.205 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -4.916 4.588 5.506 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.323 2.821 4.020 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.595 3.793 6.589 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.001 2.018 5.097 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.138 2.508 6.379 1.00 0.00 C ATOM 1449 OH TYR A 95 -3.817 1.712 7.454 1.00 0.00 O ATOM 0 H TYR A 95 -7.139 4.108 1.791 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.801 5.736 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.075 4.400 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.399 5.789 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.274 5.593 5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.212 2.435 3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.701 4.175 7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.644 1.012 4.936 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.373 1.960 8.222 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.901 7.030 1.181 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.946 8.281 0.434 1.00 0.00 C ATOM 1461 C LYS A 96 -7.673 9.362 1.228 1.00 0.00 C ATOM 1462 O LYS A 96 -7.512 10.554 0.962 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.640 8.070 -0.913 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.793 7.313 -1.921 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.645 6.714 -3.028 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.935 7.731 -4.121 1.00 0.00 C ATOM 1467 NZ LYS A 96 -9.172 8.510 -3.841 1.00 0.00 N ATOM 0 H LYS A 96 -7.173 6.208 0.642 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.921 8.609 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.571 7.526 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.907 9.041 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.053 7.986 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.244 6.520 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.133 5.853 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.584 6.350 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.090 8.413 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.038 7.217 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.754 8.558 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.711 8.045 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.916 9.473 -3.542 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.470 8.940 2.203 1.00 0.00 N ATOM 1482 CA ILE A 97 -9.218 9.873 3.036 1.00 0.00 C ATOM 1483 C ILE A 97 -8.717 9.847 4.476 1.00 0.00 C ATOM 1484 O ILE A 97 -8.762 10.858 5.179 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.725 9.556 3.023 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.981 8.165 3.609 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -11.274 9.649 1.608 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.449 7.832 3.755 1.00 0.00 C ATOM 0 H ILE A 97 -8.615 7.957 2.436 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.061 10.867 2.617 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.241 10.291 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.509 7.418 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.502 8.097 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.340 9.422 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.120 10.657 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.756 8.934 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.555 6.832 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.922 8.557 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.929 7.867 2.777 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.238 8.686 4.910 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.725 8.529 6.266 1.00 0.00 C ATOM 1502 C HIS A 98 -6.207 8.680 6.294 1.00 0.00 C ATOM 1503 O HIS A 98 -5.506 8.167 5.422 1.00 0.00 O ATOM 1504 CB HIS A 98 -8.124 7.165 6.830 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.588 7.041 7.121 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.213 5.832 7.336 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.551 7.986 7.233 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.498 6.037 7.566 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.728 7.336 7.510 1.00 0.00 N ATOM 0 H HIS A 98 -8.194 7.840 4.342 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.162 9.312 6.886 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.836 6.389 6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.563 6.982 7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.418 9.052 7.125 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.234 5.273 7.766 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.634 7.784 7.650 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.707 9.387 7.301 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.272 9.609 7.441 1.00 0.00 C ATOM 1520 C TYR A 99 -3.631 8.512 8.286 1.00 0.00 C ATOM 1521 O TYR A 99 -3.943 8.360 9.468 1.00 0.00 O ATOM 1522 CB TYR A 99 -4.005 10.976 8.072 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.557 12.132 7.269 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.928 12.313 7.127 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.709 13.043 6.652 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.437 13.367 6.394 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.209 14.101 5.919 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.574 14.259 5.792 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.076 15.311 5.061 1.00 0.00 O ATOM 0 H TYR A 99 -6.274 9.816 8.032 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.827 9.583 6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.441 10.997 9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.930 11.108 8.191 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.607 11.617 7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.640 12.922 6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.505 13.492 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.535 14.801 5.448 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.335 15.845 4.705 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.734 7.750 7.671 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.047 6.666 8.365 1.00 0.00 C ATOM 1541 C LEU A 100 -1.473 7.148 9.694 1.00 0.00 C ATOM 1542 O LEU A 100 -1.935 6.747 10.762 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.927 6.101 7.488 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.330 5.679 6.075 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.902 6.729 5.062 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -0.726 4.325 5.730 1.00 0.00 C ATOM 0 H LEU A 100 -2.465 7.862 6.693 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.774 5.879 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.140 6.851 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.496 5.237 7.995 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.416 5.590 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.197 6.411 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.382 7.679 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.181 6.851 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.023 4.040 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.361 4.387 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.082 3.577 6.438 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.466 8.011 9.619 1.00 0.00 N ATOM 1559 CA ASP A 101 0.168 8.550 10.817 1.00 0.00 C ATOM 1560 C ASP A 101 0.064 10.072 10.848 1.00 0.00 C ATOM 1561 O ASP A 101 -0.598 10.642 11.717 1.00 0.00 O ATOM 1562 CB ASP A 101 1.637 8.126 10.876 1.00 0.00 C ATOM 1563 CG ASP A 101 1.831 6.817 11.616 1.00 0.00 C ATOM 1564 OD1 ASP A 101 0.981 5.916 11.461 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.834 6.693 12.350 1.00 0.00 O ATOM 0 H ASP A 101 -0.071 8.352 8.743 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.353 8.150 11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.025 8.028 9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.218 8.907 11.366 1.00 0.00 H new ATOM 1570 N THR A 102 0.722 10.725 9.896 1.00 0.00 N ATOM 1571 CA THR A 102 0.705 12.180 9.816 1.00 0.00 C ATOM 1572 C THR A 102 0.344 12.649 8.411 1.00 0.00 C ATOM 1573 O THR A 102 0.164 13.844 8.171 1.00 0.00 O ATOM 1574 CB THR A 102 2.068 12.780 10.211 1.00 0.00 C ATOM 1575 OG1 THR A 102 1.952 14.199 10.369 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.122 12.467 9.159 1.00 0.00 C ATOM 0 H THR A 102 1.274 10.269 9.169 1.00 0.00 H new ATOM 0 HA THR A 102 -0.054 12.527 10.518 1.00 0.00 H new ATOM 0 HB THR A 102 2.376 12.334 11.156 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.432 14.570 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.076 12.901 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.229 11.387 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.817 12.889 8.201 1.00 0.00 H new ATOM 1584 N THR A 103 0.238 11.702 7.485 1.00 0.00 N ATOM 1585 CA THR A 103 -0.102 12.019 6.103 1.00 0.00 C ATOM 1586 C THR A 103 -0.935 10.908 5.473 1.00 0.00 C ATOM 1587 O THR A 103 -1.152 9.859 6.081 1.00 0.00 O ATOM 1588 CB THR A 103 1.162 12.243 5.251 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.809 12.841 3.999 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.888 10.929 5.004 1.00 0.00 C ATOM 0 H THR A 103 0.383 10.709 7.667 1.00 0.00 H new ATOM 0 HA THR A 103 -0.685 12.940 6.124 1.00 0.00 H new ATOM 0 HB THR A 103 1.828 12.911 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.618 12.982 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.777 11.112 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.181 10.490 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.227 10.242 4.476 1.00 0.00 H new ATOM 1598 N THR A 104 -1.400 11.145 4.251 1.00 0.00 N ATOM 1599 CA THR A 104 -2.211 10.165 3.539 1.00 0.00 C ATOM 1600 C THR A 104 -1.490 9.653 2.297 1.00 0.00 C ATOM 1601 O THR A 104 -0.395 10.113 1.968 1.00 0.00 O ATOM 1602 CB THR A 104 -3.570 10.756 3.122 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.374 11.990 2.423 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.454 10.991 4.338 1.00 0.00 C ATOM 0 H THR A 104 -1.229 12.007 3.733 1.00 0.00 H new ATOM 0 HA THR A 104 -2.380 9.336 4.226 1.00 0.00 H new ATOM 0 HB THR A 104 -4.066 10.042 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.243 12.358 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.409 11.409 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.626 10.045 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.962 11.688 5.016 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.109 8.700 1.609 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.526 8.126 0.401 1.00 0.00 C ATOM 1614 C LEU A 105 -1.831 8.994 -0.816 1.00 0.00 C ATOM 1615 O LEU A 105 -2.991 9.171 -1.188 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.058 6.710 0.178 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.722 5.688 1.265 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.289 4.323 0.907 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.216 5.604 1.471 1.00 0.00 C ATOM 0 H LEU A 105 -3.015 8.308 1.867 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.445 8.085 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.142 6.762 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.669 6.342 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.179 6.016 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.040 3.608 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.372 4.393 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.861 3.988 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.005 4.872 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.262 5.300 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.165 6.580 1.773 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.783 9.530 -1.431 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.939 10.376 -2.608 1.00 0.00 C ATOM 1633 C ILE A 106 -0.817 9.561 -3.891 1.00 0.00 C ATOM 1634 O ILE A 106 -1.796 9.373 -4.613 1.00 0.00 O ATOM 1635 CB ILE A 106 0.106 11.507 -2.631 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.053 12.307 -1.327 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.125 12.418 -3.827 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.285 12.968 -1.079 1.00 0.00 C ATOM 0 H ILE A 106 0.183 9.394 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.936 10.814 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 106 1.097 11.063 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.282 11.643 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.829 13.072 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.622 13.212 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.042 11.839 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.121 12.856 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.251 13.517 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.507 13.657 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.063 12.206 -1.026 1.00 0.00 H new ATOM 1650 N GLU A 107 0.391 9.078 -4.167 1.00 0.00 N ATOM 1651 CA GLU A 107 0.639 8.282 -5.363 1.00 0.00 C ATOM 1652 C GLU A 107 1.795 7.312 -5.140 1.00 0.00 C ATOM 1653 O GLU A 107 2.712 7.568 -4.359 1.00 0.00 O ATOM 1654 CB GLU A 107 0.946 9.192 -6.554 1.00 0.00 C ATOM 1655 CG GLU A 107 2.303 9.872 -6.467 1.00 0.00 C ATOM 1656 CD GLU A 107 3.411 9.042 -7.085 1.00 0.00 C ATOM 1657 OE1 GLU A 107 3.491 8.993 -8.331 1.00 0.00 O ATOM 1658 OE2 GLU A 107 4.198 8.441 -6.324 1.00 0.00 O ATOM 0 H GLU A 107 1.212 9.224 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.261 7.706 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.902 8.604 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.171 9.955 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.254 10.838 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.541 10.068 -5.421 1.00 0.00 H new ATOM 1665 N PRO A 108 1.752 6.169 -5.841 1.00 0.00 N ATOM 1666 CA PRO A 108 2.787 5.136 -5.737 1.00 0.00 C ATOM 1667 C PRO A 108 4.111 5.578 -6.352 1.00 0.00 C ATOM 1668 O PRO A 108 4.142 6.121 -7.456 1.00 0.00 O ATOM 1669 CB PRO A 108 2.198 3.962 -6.522 1.00 0.00 C ATOM 1670 CG PRO A 108 1.251 4.589 -7.487 1.00 0.00 C ATOM 1671 CD PRO A 108 0.689 5.797 -6.790 1.00 0.00 C ATOM 0 HA PRO A 108 3.021 4.897 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.977 3.401 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.685 3.262 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.762 4.872 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.458 3.894 -7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.477 6.603 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.245 5.567 -6.277 1.00 0.00 H new ATOM 1679 N ALA A 109 5.202 5.341 -5.631 1.00 0.00 N ATOM 1680 CA ALA A 109 6.528 5.713 -6.108 1.00 0.00 C ATOM 1681 C ALA A 109 6.705 5.349 -7.578 1.00 0.00 C ATOM 1682 O ALA A 109 6.099 4.405 -8.086 1.00 0.00 O ATOM 1683 CB ALA A 109 7.600 5.040 -5.263 1.00 0.00 C ATOM 0 H ALA A 109 5.194 4.893 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 109 6.631 6.794 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.586 5.326 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.494 5.353 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.489 3.958 -5.329 1.00 0.00 H new ATOM 1689 N PRO A 110 7.553 6.115 -8.280 1.00 0.00 N ATOM 1690 CA PRO A 110 7.829 5.892 -9.702 1.00 0.00 C ATOM 1691 C PRO A 110 8.626 4.615 -9.945 1.00 0.00 C ATOM 1692 O PRO A 110 9.366 4.159 -9.074 1.00 0.00 O ATOM 1693 CB PRO A 110 8.651 7.120 -10.101 1.00 0.00 C ATOM 1694 CG PRO A 110 9.289 7.576 -8.834 1.00 0.00 C ATOM 1695 CD PRO A 110 8.309 7.257 -7.739 1.00 0.00 C ATOM 0 HA PRO A 110 6.913 5.769 -10.280 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.399 6.869 -10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.019 7.898 -10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.238 7.066 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.503 8.644 -8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.816 6.999 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.658 8.104 -7.523 1.00 0.00 H new