USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot -130:sc= 0.00912 USER MOD Set 1.2: A 129 HIS :FLIP no HE2:sc= -1.25 F(o=-2.1,f=-1.2) USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 GLN : amide:sc= 0.356 K(o=0.88,f=-1.5) USER MOD Set 2.3: A 88 LYS NZ :NH3+ -171:sc= 0.524 (180deg=0) USER MOD Set 3.1: A 26 TYR OH : rot -19:sc= 1.09 USER MOD Set 3.2: A 123 GLN : amide:sc= 0.924 K(o=2,f=-0.31) USER MOD Single : A 11 TYR OH : rot -16:sc= 1.05 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 15 GLN : amide:sc= -0.159 K(o=-0.16,f=-3.4!) USER MOD Single : A 17 HIS : no HE2:sc= 0.501 K(o=0.5,f=-1.6!) USER MOD Single : A 20 GLN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0364 K(o=-0.036,f=-0.77) USER MOD Single : A 48 ASN : amide:sc= -0.85 K(o=-0.85,f=-1.9) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot -110:sc= -0.542 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.0905 X(o=0.09,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.16) USER MOD Single : A 100 SER OG : rot 81:sc= 0.141 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.263 F(o=-0.96,f=-0.26) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.629 K(o=-0.63,f=-2.5) USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= -0.337 X(o=-0.34,f=-0.52) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.647 17.645 -4.498 1.00 0.00 N ATOM 110 CA TYR A 11 3.155 16.283 -4.314 1.00 0.00 C ATOM 111 C TYR A 11 2.690 16.038 -2.879 1.00 0.00 C ATOM 112 O TYR A 11 1.567 15.581 -2.676 1.00 0.00 O ATOM 113 CB TYR A 11 4.257 15.296 -4.694 1.00 0.00 C ATOM 114 CG TYR A 11 4.683 15.383 -6.149 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.761 15.119 -7.179 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.006 15.732 -6.472 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.155 15.187 -8.525 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.408 15.817 -7.815 1.00 0.00 C ATOM 119 CZ TYR A 11 5.485 15.538 -8.847 1.00 0.00 C ATOM 120 OH TYR A 11 5.881 15.664 -10.143 1.00 0.00 O ATOM 0 HA TYR A 11 2.290 16.138 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.125 15.474 -4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.912 14.283 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.742 14.862 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.716 15.936 -5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.445 14.972 -9.310 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.423 16.096 -8.059 1.00 0.00 H new ATOM 0 HH TYR A 11 5.221 15.239 -10.730 1.00 0.00 H new ATOM 130 N SER A 12 3.499 16.379 -1.868 1.00 0.00 N ATOM 131 CA SER A 12 3.183 16.002 -0.494 1.00 0.00 C ATOM 132 C SER A 12 1.858 16.581 0.009 1.00 0.00 C ATOM 133 O SER A 12 1.261 16.010 0.915 1.00 0.00 O ATOM 134 CB SER A 12 4.358 16.298 0.437 1.00 0.00 C ATOM 135 OG SER A 12 4.700 17.669 0.423 1.00 0.00 O ATOM 0 H SER A 12 4.364 16.908 -1.977 1.00 0.00 H new ATOM 0 HA SER A 12 3.027 14.923 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.103 15.996 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.221 15.704 0.135 1.00 0.00 H new ATOM 0 HG SER A 12 5.454 17.824 1.030 1.00 0.00 H new ATOM 141 N GLN A 13 1.346 17.646 -0.617 1.00 0.00 N ATOM 142 CA GLN A 13 0.020 18.174 -0.339 1.00 0.00 C ATOM 143 C GLN A 13 -1.049 17.101 -0.559 1.00 0.00 C ATOM 144 O GLN A 13 -1.897 16.906 0.309 1.00 0.00 O ATOM 145 CB GLN A 13 -0.266 19.393 -1.228 1.00 0.00 C ATOM 146 CG GLN A 13 0.763 20.521 -1.066 1.00 0.00 C ATOM 147 CD GLN A 13 0.251 21.847 -1.617 1.00 0.00 C ATOM 148 OE1 GLN A 13 -0.757 22.365 -1.154 1.00 0.00 O ATOM 149 NE2 GLN A 13 0.923 22.464 -2.576 1.00 0.00 N ATOM 0 H GLN A 13 1.850 18.165 -1.336 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.011 18.483 0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.286 19.076 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.258 19.780 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.009 20.638 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.685 20.247 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.764 22.037 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.600 23.366 -2.925 1.00 0.00 H new ATOM 158 N ARG A 14 -1.004 16.409 -1.704 1.00 0.00 N ATOM 159 CA ARG A 14 -1.864 15.273 -2.044 1.00 0.00 C ATOM 160 C ARG A 14 -1.550 14.121 -1.111 1.00 0.00 C ATOM 161 O ARG A 14 -2.476 13.509 -0.602 1.00 0.00 O ATOM 162 CB ARG A 14 -1.635 14.853 -3.504 1.00 0.00 C ATOM 163 CG ARG A 14 -2.045 15.940 -4.510 1.00 0.00 C ATOM 164 CD ARG A 14 -0.973 16.187 -5.581 1.00 0.00 C ATOM 165 NE ARG A 14 -1.415 17.235 -6.509 1.00 0.00 N ATOM 166 CZ ARG A 14 -1.469 18.544 -6.255 1.00 0.00 C ATOM 167 NH1 ARG A 14 -0.872 19.060 -5.183 1.00 0.00 N ATOM 168 NH2 ARG A 14 -2.151 19.344 -7.060 1.00 0.00 N ATOM 0 H ARG A 14 -0.342 16.635 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.910 15.559 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.582 14.612 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.201 13.944 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.977 15.649 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.240 16.870 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.037 16.482 -5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.777 15.265 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.709 16.934 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.363 18.453 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.923 20.063 -5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.634 18.959 -7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.194 20.345 -6.868 1.00 0.00 H new ATOM 182 N GLN A 15 -0.275 13.815 -0.860 1.00 0.00 N ATOM 183 CA GLN A 15 0.103 12.689 -0.004 1.00 0.00 C ATOM 184 C GLN A 15 -0.608 12.817 1.344 1.00 0.00 C ATOM 185 O GLN A 15 -1.336 11.910 1.740 1.00 0.00 O ATOM 186 CB GLN A 15 1.628 12.563 0.162 1.00 0.00 C ATOM 187 CG GLN A 15 2.325 12.349 -1.191 1.00 0.00 C ATOM 188 CD GLN A 15 3.834 12.124 -1.071 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.584 13.000 -0.638 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.309 10.955 -1.463 1.00 0.00 N ATOM 0 H GLN A 15 0.516 14.334 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.217 11.766 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.019 13.463 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.855 11.729 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.876 11.490 -1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.144 13.217 -1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.675 10.240 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.310 10.767 -1.409 1.00 0.00 H new ATOM 199 N ASP A 16 -0.449 13.968 1.994 1.00 0.00 N ATOM 200 CA ASP A 16 -1.019 14.318 3.290 1.00 0.00 C ATOM 201 C ASP A 16 -2.549 14.372 3.244 1.00 0.00 C ATOM 202 O ASP A 16 -3.216 13.929 4.173 1.00 0.00 O ATOM 203 CB ASP A 16 -0.430 15.686 3.672 1.00 0.00 C ATOM 204 CG ASP A 16 -0.586 16.105 5.134 1.00 0.00 C ATOM 205 OD1 ASP A 16 -0.895 15.256 6.006 1.00 0.00 O ATOM 206 OD2 ASP A 16 -0.283 17.285 5.421 1.00 0.00 O ATOM 0 H ASP A 16 0.114 14.725 1.606 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.770 13.560 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.632 15.681 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.897 16.447 3.046 1.00 0.00 H new ATOM 211 N HIS A 17 -3.116 14.886 2.149 1.00 0.00 N ATOM 212 CA HIS A 17 -4.555 14.879 1.902 1.00 0.00 C ATOM 213 C HIS A 17 -5.106 13.450 1.855 1.00 0.00 C ATOM 214 O HIS A 17 -6.172 13.196 2.420 1.00 0.00 O ATOM 215 CB HIS A 17 -4.862 15.637 0.598 1.00 0.00 C ATOM 216 CG HIS A 17 -5.267 17.074 0.822 1.00 0.00 C ATOM 217 ND1 HIS A 17 -4.448 18.173 0.709 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.507 17.519 1.200 1.00 0.00 C ATOM 219 CE1 HIS A 17 -5.180 19.261 1.002 1.00 0.00 C ATOM 220 NE2 HIS A 17 -6.440 18.915 1.325 1.00 0.00 N ATOM 0 H HIS A 17 -2.578 15.324 1.401 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.052 15.387 2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.982 15.611 -0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.661 15.121 0.066 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.462 18.164 0.449 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.379 16.905 1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.808 20.275 0.981 1.00 0.00 H new ATOM 228 N GLU A 18 -4.400 12.526 1.196 1.00 0.00 N ATOM 229 CA GLU A 18 -4.830 11.141 1.072 1.00 0.00 C ATOM 230 C GLU A 18 -4.696 10.445 2.413 1.00 0.00 C ATOM 231 O GLU A 18 -5.586 9.694 2.781 1.00 0.00 O ATOM 232 CB GLU A 18 -4.034 10.373 -0.003 1.00 0.00 C ATOM 233 CG GLU A 18 -4.932 10.000 -1.181 1.00 0.00 C ATOM 234 CD GLU A 18 -5.387 11.258 -1.932 1.00 0.00 C ATOM 235 OE1 GLU A 18 -4.526 12.085 -2.307 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.603 11.447 -2.141 1.00 0.00 O ATOM 0 H GLU A 18 -3.512 12.724 0.734 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.873 11.147 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.203 10.985 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.604 9.471 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.394 9.339 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.802 9.449 -0.822 1.00 0.00 H new ATOM 243 N LEU A 19 -3.612 10.697 3.150 1.00 0.00 N ATOM 244 CA LEU A 19 -3.399 10.176 4.499 1.00 0.00 C ATOM 245 C LEU A 19 -4.630 10.538 5.338 1.00 0.00 C ATOM 246 O LEU A 19 -5.335 9.653 5.818 1.00 0.00 O ATOM 247 CB LEU A 19 -2.034 10.683 5.048 1.00 0.00 C ATOM 248 CG LEU A 19 -0.834 10.071 4.281 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.517 10.803 4.338 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.535 8.661 4.717 1.00 0.00 C ATOM 0 H LEU A 19 -2.844 11.280 2.818 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.314 9.090 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.995 11.770 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.953 10.433 6.106 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.210 10.152 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.254 10.252 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.405 11.806 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.851 10.870 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.313 8.277 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.295 8.652 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.407 8.032 4.536 1.00 0.00 H new ATOM 262 N GLN A 20 -4.991 11.815 5.375 1.00 0.00 N ATOM 263 CA GLN A 20 -6.120 12.312 6.156 1.00 0.00 C ATOM 264 C GLN A 20 -7.450 11.675 5.726 1.00 0.00 C ATOM 265 O GLN A 20 -8.306 11.382 6.561 1.00 0.00 O ATOM 266 CB GLN A 20 -6.153 13.837 6.016 1.00 0.00 C ATOM 267 CG GLN A 20 -5.008 14.471 6.816 1.00 0.00 C ATOM 268 CD GLN A 20 -4.739 15.919 6.422 1.00 0.00 C ATOM 269 OE1 GLN A 20 -5.640 16.739 6.251 1.00 0.00 O ATOM 270 NE2 GLN A 20 -3.485 16.295 6.244 1.00 0.00 N ATOM 0 H GLN A 20 -4.502 12.545 4.857 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.988 12.034 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.068 14.114 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.109 14.221 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.246 14.427 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.101 13.885 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.727 15.626 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.274 17.254 5.968 1.00 0.00 H new ATOM 279 N ALA A 21 -7.640 11.445 4.428 1.00 0.00 N ATOM 280 CA ALA A 21 -8.818 10.782 3.883 1.00 0.00 C ATOM 281 C ALA A 21 -8.859 9.293 4.261 1.00 0.00 C ATOM 282 O ALA A 21 -9.910 8.758 4.605 1.00 0.00 O ATOM 283 CB ALA A 21 -8.819 10.970 2.365 1.00 0.00 C ATOM 0 H ALA A 21 -6.965 11.720 3.714 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.714 11.231 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.694 10.480 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.848 12.034 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.915 10.530 1.943 1.00 0.00 H new ATOM 289 N LEU A 22 -7.723 8.598 4.230 1.00 0.00 N ATOM 290 CA LEU A 22 -7.592 7.189 4.610 1.00 0.00 C ATOM 291 C LEU A 22 -7.887 7.008 6.099 1.00 0.00 C ATOM 292 O LEU A 22 -8.329 5.935 6.508 1.00 0.00 O ATOM 293 CB LEU A 22 -6.171 6.707 4.281 1.00 0.00 C ATOM 294 CG LEU A 22 -5.943 6.602 2.760 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.470 6.782 2.392 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.440 5.253 2.255 1.00 0.00 C ATOM 0 H LEU A 22 -6.840 9.011 3.931 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.313 6.595 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.444 7.396 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.000 5.734 4.743 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.505 7.405 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.352 6.701 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.130 7.764 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.876 6.010 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.276 5.184 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.895 4.453 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.505 5.155 2.467 1.00 0.00 H new ATOM 308 N GLU A 23 -7.687 8.052 6.906 1.00 0.00 N ATOM 309 CA GLU A 23 -8.006 8.056 8.326 1.00 0.00 C ATOM 310 C GLU A 23 -9.519 7.947 8.542 1.00 0.00 C ATOM 311 O GLU A 23 -9.967 7.367 9.530 1.00 0.00 O ATOM 312 CB GLU A 23 -7.448 9.340 8.957 1.00 0.00 C ATOM 313 CG GLU A 23 -7.244 9.170 10.465 1.00 0.00 C ATOM 314 CD GLU A 23 -7.081 10.502 11.207 1.00 0.00 C ATOM 315 OE1 GLU A 23 -6.573 11.490 10.632 1.00 0.00 O ATOM 316 OE2 GLU A 23 -7.396 10.555 12.424 1.00 0.00 O ATOM 0 H GLU A 23 -7.291 8.933 6.579 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.547 7.192 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.500 9.598 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.132 10.168 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.095 8.631 10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.361 8.555 10.638 1.00 0.00 H new ATOM 323 N ALA A 24 -10.312 8.478 7.612 1.00 0.00 N ATOM 324 CA ALA A 24 -11.757 8.396 7.638 1.00 0.00 C ATOM 325 C ALA A 24 -12.190 7.045 7.067 1.00 0.00 C ATOM 326 O ALA A 24 -12.981 6.312 7.673 1.00 0.00 O ATOM 327 CB ALA A 24 -12.302 9.570 6.822 1.00 0.00 C ATOM 0 H ALA A 24 -9.951 8.987 6.805 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.151 8.461 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.392 9.538 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.967 10.508 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.936 9.502 5.797 1.00 0.00 H new ATOM 333 N ILE A 25 -11.647 6.697 5.896 1.00 0.00 N ATOM 334 CA ILE A 25 -12.058 5.523 5.139 1.00 0.00 C ATOM 335 C ILE A 25 -11.798 4.256 5.965 1.00 0.00 C ATOM 336 O ILE A 25 -12.683 3.398 6.057 1.00 0.00 O ATOM 337 CB ILE A 25 -11.391 5.506 3.743 1.00 0.00 C ATOM 338 CG1 ILE A 25 -11.774 6.754 2.900 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.674 4.179 3.008 1.00 0.00 C ATOM 340 CD1 ILE A 25 -12.952 6.597 1.939 1.00 0.00 C ATOM 0 H ILE A 25 -10.903 7.231 5.448 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.131 5.560 4.950 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.312 5.563 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.000 7.571 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.901 7.055 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.193 4.195 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.279 3.348 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.750 4.055 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.118 7.536 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.731 5.809 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.848 6.334 2.501 1.00 0.00 H new ATOM 352 N TYR A 26 -10.623 4.158 6.589 1.00 0.00 N ATOM 353 CA TYR A 26 -10.205 3.012 7.385 1.00 0.00 C ATOM 354 C TYR A 26 -10.246 3.379 8.864 1.00 0.00 C ATOM 355 O TYR A 26 -11.072 2.846 9.604 1.00 0.00 O ATOM 356 CB TYR A 26 -8.817 2.542 6.921 1.00 0.00 C ATOM 357 CG TYR A 26 -8.830 1.999 5.503 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.300 0.694 5.238 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.431 2.833 4.440 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.351 0.215 3.913 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.516 2.370 3.115 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.964 1.055 2.847 1.00 0.00 C ATOM 363 OH TYR A 26 -9.059 0.611 1.561 1.00 0.00 O ATOM 0 H TYR A 26 -9.920 4.896 6.551 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.888 2.175 7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.116 3.375 6.981 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.453 1.770 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.621 0.061 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.060 3.827 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.685 -0.792 3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.238 3.021 2.299 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.112 -0.368 1.556 1.00 0.00 H new ATOM 373 N GLY A 27 -9.397 4.306 9.303 1.00 0.00 N ATOM 374 CA GLY A 27 -9.198 4.586 10.718 1.00 0.00 C ATOM 375 C GLY A 27 -8.291 3.515 11.307 1.00 0.00 C ATOM 376 O GLY A 27 -7.089 3.572 11.075 1.00 0.00 O ATOM 0 H GLY A 27 -8.828 4.884 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.752 5.572 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.156 4.598 11.239 1.00 0.00 H new ATOM 380 N SER A 28 -8.836 2.523 12.017 1.00 0.00 N ATOM 381 CA SER A 28 -8.049 1.595 12.838 1.00 0.00 C ATOM 382 C SER A 28 -6.937 0.874 12.067 1.00 0.00 C ATOM 383 O SER A 28 -5.856 0.679 12.621 1.00 0.00 O ATOM 384 CB SER A 28 -8.972 0.565 13.501 1.00 0.00 C ATOM 385 OG SER A 28 -9.874 1.205 14.386 1.00 0.00 O ATOM 0 H SER A 28 -9.839 2.339 12.039 1.00 0.00 H new ATOM 0 HA SER A 28 -7.554 2.206 13.593 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.527 0.021 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.377 -0.168 14.046 1.00 0.00 H new ATOM 0 HG SER A 28 -10.457 0.535 14.800 1.00 0.00 H new ATOM 391 N ASP A 29 -7.186 0.488 10.812 1.00 0.00 N ATOM 392 CA ASP A 29 -6.215 -0.258 10.007 1.00 0.00 C ATOM 393 C ASP A 29 -5.051 0.624 9.556 1.00 0.00 C ATOM 394 O ASP A 29 -3.989 0.100 9.219 1.00 0.00 O ATOM 395 CB ASP A 29 -6.887 -0.877 8.764 1.00 0.00 C ATOM 396 CG ASP A 29 -7.652 -2.172 9.037 1.00 0.00 C ATOM 397 OD1 ASP A 29 -7.483 -2.769 10.129 1.00 0.00 O ATOM 398 OD2 ASP A 29 -8.471 -2.584 8.186 1.00 0.00 O ATOM 0 H ASP A 29 -8.062 0.683 10.328 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.825 -1.051 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.574 -0.147 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.122 -1.073 8.013 1.00 0.00 H new ATOM 403 N PHE A 30 -5.237 1.945 9.512 1.00 0.00 N ATOM 404 CA PHE A 30 -4.218 2.906 9.131 1.00 0.00 C ATOM 405 C PHE A 30 -3.394 3.214 10.374 1.00 0.00 C ATOM 406 O PHE A 30 -3.842 3.943 11.260 1.00 0.00 O ATOM 407 CB PHE A 30 -4.881 4.168 8.550 1.00 0.00 C ATOM 408 CG PHE A 30 -3.943 5.294 8.143 1.00 0.00 C ATOM 409 CD1 PHE A 30 -2.562 5.076 7.949 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.457 6.594 7.974 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.713 6.150 7.654 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.609 7.645 7.590 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.233 7.436 7.441 1.00 0.00 C ATOM 0 H PHE A 30 -6.128 2.381 9.748 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.564 2.508 8.355 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.465 3.877 7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.583 4.557 9.288 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.159 4.077 8.028 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.507 6.783 8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.647 5.987 7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.023 8.626 7.408 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.581 8.252 7.166 1.00 0.00 H new ATOM 423 N GLN A 31 -2.165 2.706 10.423 1.00 0.00 N ATOM 424 CA GLN A 31 -1.167 3.140 11.367 1.00 0.00 C ATOM 425 C GLN A 31 -0.156 3.969 10.585 1.00 0.00 C ATOM 426 O GLN A 31 0.546 3.492 9.690 1.00 0.00 O ATOM 427 CB GLN A 31 -0.566 1.956 12.119 1.00 0.00 C ATOM 428 CG GLN A 31 0.462 2.454 13.145 1.00 0.00 C ATOM 429 CD GLN A 31 0.456 1.733 14.495 1.00 0.00 C ATOM 430 OE1 GLN A 31 -0.193 0.713 14.705 1.00 0.00 O ATOM 431 NE2 GLN A 31 1.148 2.297 15.470 1.00 0.00 N ATOM 0 H GLN A 31 -1.841 1.971 9.794 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.592 3.762 12.155 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.354 1.397 12.623 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.089 1.272 11.417 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.457 2.362 12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.288 3.516 13.320 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.686 3.145 15.289 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.144 1.884 16.403 1.00 0.00 H new ATOM 440 N ASP A 32 -0.146 5.252 10.906 1.00 0.00 N ATOM 441 CA ASP A 32 0.859 6.211 10.467 1.00 0.00 C ATOM 442 C ASP A 32 2.209 5.819 11.078 1.00 0.00 C ATOM 443 O ASP A 32 2.247 5.238 12.170 1.00 0.00 O ATOM 444 CB ASP A 32 0.404 7.631 10.849 1.00 0.00 C ATOM 445 CG ASP A 32 1.302 8.324 11.886 1.00 0.00 C ATOM 446 OD1 ASP A 32 1.113 8.072 13.099 1.00 0.00 O ATOM 447 OD2 ASP A 32 2.174 9.119 11.466 1.00 0.00 O ATOM 0 H ASP A 32 -0.862 5.671 11.500 1.00 0.00 H new ATOM 0 HA ASP A 32 0.979 6.201 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.369 8.244 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.612 7.582 11.240 1.00 0.00 H new ATOM 452 N LEU A 33 3.307 6.079 10.356 1.00 0.00 N ATOM 453 CA LEU A 33 4.650 5.617 10.717 1.00 0.00 C ATOM 454 C LEU A 33 5.641 6.772 10.651 1.00 0.00 C ATOM 455 O LEU A 33 6.370 7.027 11.613 1.00 0.00 O ATOM 456 CB LEU A 33 5.144 4.469 9.810 1.00 0.00 C ATOM 457 CG LEU A 33 4.197 3.260 9.682 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.830 2.291 8.687 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.937 2.488 10.982 1.00 0.00 C ATOM 0 H LEU A 33 3.285 6.623 9.494 1.00 0.00 H new ATOM 0 HA LEU A 33 4.587 5.234 11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.326 4.871 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.103 4.117 10.191 1.00 0.00 H new ATOM 0 HG LEU A 33 3.231 3.657 9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.187 1.419 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.950 2.786 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.805 1.975 9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.259 1.658 10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.879 2.102 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.488 3.155 11.718 1.00 0.00 H new ATOM 641 N PRO A 44 10.417 9.931 3.123 1.00 0.00 N ATOM 642 CA PRO A 44 9.195 9.441 2.484 1.00 0.00 C ATOM 643 C PRO A 44 8.014 9.351 3.475 1.00 0.00 C ATOM 644 O PRO A 44 8.242 9.111 4.666 1.00 0.00 O ATOM 645 CB PRO A 44 9.593 8.061 1.973 1.00 0.00 C ATOM 646 CG PRO A 44 10.630 7.564 2.970 1.00 0.00 C ATOM 647 CD PRO A 44 11.360 8.848 3.341 1.00 0.00 C ATOM 0 HA PRO A 44 8.844 10.107 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.734 7.392 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.006 8.116 0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.168 7.093 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.301 6.828 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.689 8.822 4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.252 8.979 2.728 1.00 0.00 H new ATOM 655 N PRO A 45 6.748 9.514 3.040 1.00 0.00 N ATOM 656 CA PRO A 45 5.596 9.298 3.904 1.00 0.00 C ATOM 657 C PRO A 45 5.245 7.802 4.018 1.00 0.00 C ATOM 658 O PRO A 45 4.323 7.301 3.369 1.00 0.00 O ATOM 659 CB PRO A 45 4.467 10.130 3.306 1.00 0.00 C ATOM 660 CG PRO A 45 4.766 10.064 1.816 1.00 0.00 C ATOM 661 CD PRO A 45 6.301 10.023 1.748 1.00 0.00 C ATOM 0 HA PRO A 45 5.795 9.609 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.487 9.715 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.477 11.155 3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.322 9.180 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.366 10.930 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.638 9.378 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.710 11.015 1.557 1.00 0.00 H new ATOM 669 N GLU A 46 5.966 7.087 4.878 1.00 0.00 N ATOM 670 CA GLU A 46 5.732 5.663 5.106 1.00 0.00 C ATOM 671 C GLU A 46 4.494 5.479 5.975 1.00 0.00 C ATOM 672 O GLU A 46 4.300 6.214 6.952 1.00 0.00 O ATOM 673 CB GLU A 46 6.941 4.936 5.732 1.00 0.00 C ATOM 674 CG GLU A 46 7.046 3.481 5.213 1.00 0.00 C ATOM 675 CD GLU A 46 8.399 2.804 5.472 1.00 0.00 C ATOM 676 OE1 GLU A 46 8.712 2.509 6.649 1.00 0.00 O ATOM 677 OE2 GLU A 46 9.125 2.478 4.500 1.00 0.00 O ATOM 0 H GLU A 46 6.727 7.477 5.435 1.00 0.00 H new ATOM 0 HA GLU A 46 5.576 5.207 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.857 5.477 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.845 4.932 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.262 2.885 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.853 3.477 4.140 1.00 0.00 H new ATOM 684 N ILE A 47 3.699 4.462 5.644 1.00 0.00 N ATOM 685 CA ILE A 47 2.518 4.049 6.388 1.00 0.00 C ATOM 686 C ILE A 47 2.426 2.534 6.451 1.00 0.00 C ATOM 687 O ILE A 47 3.050 1.825 5.651 1.00 0.00 O ATOM 688 CB ILE A 47 1.234 4.601 5.746 1.00 0.00 C ATOM 689 CG1 ILE A 47 1.038 4.133 4.280 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.228 6.126 5.832 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.250 3.328 4.105 1.00 0.00 C ATOM 0 H ILE A 47 3.869 3.885 4.820 1.00 0.00 H new ATOM 0 HA ILE A 47 2.614 4.452 7.396 1.00 0.00 H new ATOM 0 HB ILE A 47 0.392 4.197 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.015 5.002 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.890 3.525 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.317 6.513 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.268 6.432 6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.095 6.524 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.348 3.020 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.217 2.445 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.105 3.944 4.383 1.00 0.00 H new ATOM 703 N ASN A 48 1.560 2.066 7.346 1.00 0.00 N ATOM 704 CA ASN A 48 1.011 0.731 7.356 1.00 0.00 C ATOM 705 C ASN A 48 -0.501 0.858 7.214 1.00 0.00 C ATOM 706 O ASN A 48 -1.122 1.579 7.997 1.00 0.00 O ATOM 707 CB ASN A 48 1.353 0.059 8.688 1.00 0.00 C ATOM 708 CG ASN A 48 0.595 -1.247 8.829 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.089 -2.280 8.405 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.598 -1.229 9.404 1.00 0.00 N ATOM 0 H ASN A 48 1.212 2.640 8.114 1.00 0.00 H new ATOM 0 HA ASN A 48 1.421 0.131 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.425 -0.127 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.101 0.724 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.130 -2.094 9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.985 -0.350 9.749 1.00 0.00 H new ATOM 717 N LEU A 49 -1.092 0.131 6.272 1.00 0.00 N ATOM 718 CA LEU A 49 -2.516 -0.187 6.261 1.00 0.00 C ATOM 719 C LEU A 49 -2.617 -1.690 6.479 1.00 0.00 C ATOM 720 O LEU A 49 -1.738 -2.436 6.048 1.00 0.00 O ATOM 721 CB LEU A 49 -3.147 0.242 4.925 1.00 0.00 C ATOM 722 CG LEU A 49 -3.443 1.754 4.856 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.601 2.239 3.413 1.00 0.00 C ATOM 724 CD2 LEU A 49 -4.723 2.125 5.603 1.00 0.00 C ATOM 0 H LEU A 49 -0.585 -0.262 5.479 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.059 0.346 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.477 -0.029 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.074 -0.311 4.773 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.585 2.236 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.809 3.309 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.681 2.046 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.426 1.708 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.890 3.199 5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.568 1.594 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.626 1.847 6.652 1.00 0.00 H new ATOM 736 N VAL A 50 -3.664 -2.159 7.145 1.00 0.00 N ATOM 737 CA VAL A 50 -3.967 -3.582 7.261 1.00 0.00 C ATOM 738 C VAL A 50 -5.146 -3.847 6.337 1.00 0.00 C ATOM 739 O VAL A 50 -6.030 -3.001 6.213 1.00 0.00 O ATOM 740 CB VAL A 50 -4.283 -3.964 8.716 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.454 -5.491 8.821 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.191 -3.507 9.693 1.00 0.00 C ATOM 0 H VAL A 50 -4.334 -1.558 7.625 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.111 -4.193 6.974 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.206 -3.454 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.678 -5.762 9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.272 -5.811 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.533 -5.983 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.463 -3.802 10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.243 -3.972 9.422 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.090 -2.423 9.645 1.00 0.00 H new ATOM 752 N LEU A 51 -5.156 -4.989 5.651 1.00 0.00 N ATOM 753 CA LEU A 51 -6.141 -5.265 4.618 1.00 0.00 C ATOM 754 C LEU A 51 -6.690 -6.658 4.841 1.00 0.00 C ATOM 755 O LEU A 51 -5.924 -7.611 5.023 1.00 0.00 O ATOM 756 CB LEU A 51 -5.499 -5.114 3.232 1.00 0.00 C ATOM 757 CG LEU A 51 -5.032 -3.670 2.958 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.109 -3.649 1.748 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.210 -2.726 2.710 1.00 0.00 C ATOM 0 H LEU A 51 -4.484 -5.742 5.798 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.966 -4.554 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.648 -5.790 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.216 -5.413 2.467 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.502 -3.323 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.781 -2.627 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.240 -4.278 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.643 -4.027 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.836 -1.720 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.777 -3.071 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.858 -2.714 3.587 1.00 0.00 H new ATOM 771 N TYR A 52 -8.017 -6.756 4.816 1.00 0.00 N ATOM 772 CA TYR A 52 -8.767 -7.959 5.129 1.00 0.00 C ATOM 773 C TYR A 52 -9.648 -8.367 3.954 1.00 0.00 C ATOM 774 O TYR A 52 -9.982 -7.533 3.104 1.00 0.00 O ATOM 775 CB TYR A 52 -9.640 -7.706 6.358 1.00 0.00 C ATOM 776 CG TYR A 52 -8.831 -7.535 7.616 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.292 -8.672 8.228 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.601 -6.267 8.168 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.592 -8.565 9.439 1.00 0.00 C ATOM 780 CE2 TYR A 52 -7.872 -6.147 9.356 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.354 -7.289 10.002 1.00 0.00 C ATOM 782 OH TYR A 52 -6.612 -7.149 11.135 1.00 0.00 O ATOM 0 H TYR A 52 -8.616 -5.969 4.568 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.064 -8.767 5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.243 -6.813 6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.332 -8.538 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.416 -9.640 7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.986 -5.385 7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.236 -9.453 9.940 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.704 -5.169 9.783 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.554 -6.200 11.373 1.00 0.00 H new ATOM 792 N PRO A 53 -10.054 -9.643 3.901 1.00 0.00 N ATOM 793 CA PRO A 53 -11.013 -10.087 2.902 1.00 0.00 C ATOM 794 C PRO A 53 -12.404 -9.531 3.232 1.00 0.00 C ATOM 795 O PRO A 53 -12.803 -9.493 4.398 1.00 0.00 O ATOM 796 CB PRO A 53 -10.941 -11.608 2.930 1.00 0.00 C ATOM 797 CG PRO A 53 -10.337 -11.979 4.279 1.00 0.00 C ATOM 798 CD PRO A 53 -9.647 -10.718 4.806 1.00 0.00 C ATOM 0 HA PRO A 53 -10.795 -9.726 1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.932 -12.047 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.327 -11.984 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.109 -12.317 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.624 -12.797 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.950 -10.504 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.564 -10.837 4.812 1.00 0.00 H new ATOM 896 N VAL A 61 -11.411 -13.888 10.180 1.00 0.00 N ATOM 897 CA VAL A 61 -10.583 -13.937 8.975 1.00 0.00 C ATOM 898 C VAL A 61 -9.602 -15.123 8.973 1.00 0.00 C ATOM 899 O VAL A 61 -9.707 -16.042 9.788 1.00 0.00 O ATOM 900 CB VAL A 61 -10.013 -12.571 8.563 1.00 0.00 C ATOM 901 CG1 VAL A 61 -11.088 -11.620 8.046 1.00 0.00 C ATOM 902 CG2 VAL A 61 -9.425 -11.843 9.726 1.00 0.00 C ATOM 0 HA VAL A 61 -11.248 -14.165 8.142 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.276 -12.811 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.631 -10.670 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.572 -12.058 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.830 -11.452 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.033 -10.882 9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.195 -11.679 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.617 -12.435 10.155 1.00 0.00 H new ATOM 912 N TYR A 62 -8.776 -15.202 7.929 1.00 0.00 N ATOM 913 CA TYR A 62 -8.089 -16.414 7.504 1.00 0.00 C ATOM 914 C TYR A 62 -6.793 -15.987 6.823 1.00 0.00 C ATOM 915 O TYR A 62 -5.693 -16.290 7.288 1.00 0.00 O ATOM 916 CB TYR A 62 -9.000 -17.219 6.553 1.00 0.00 C ATOM 917 CG TYR A 62 -10.197 -17.876 7.223 1.00 0.00 C ATOM 918 CD1 TYR A 62 -11.380 -17.142 7.437 1.00 0.00 C ATOM 919 CD2 TYR A 62 -10.113 -19.202 7.689 1.00 0.00 C ATOM 920 CE1 TYR A 62 -12.434 -17.691 8.182 1.00 0.00 C ATOM 921 CE2 TYR A 62 -11.179 -19.772 8.407 1.00 0.00 C ATOM 922 CZ TYR A 62 -12.336 -19.010 8.675 1.00 0.00 C ATOM 923 OH TYR A 62 -13.348 -19.543 9.410 1.00 0.00 O ATOM 0 H TYR A 62 -8.563 -14.397 7.340 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.856 -17.062 8.349 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.360 -16.554 5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -8.403 -17.991 6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.476 -16.149 7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.225 -19.785 7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.320 -17.105 8.378 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.112 -20.793 8.753 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.117 -20.460 9.668 1.00 0.00 H new ATOM 933 N VAL A 63 -6.927 -15.189 5.766 1.00 0.00 N ATOM 934 CA VAL A 63 -5.856 -14.431 5.143 1.00 0.00 C ATOM 935 C VAL A 63 -6.002 -12.966 5.552 1.00 0.00 C ATOM 936 O VAL A 63 -7.119 -12.487 5.768 1.00 0.00 O ATOM 937 CB VAL A 63 -5.921 -14.573 3.607 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.472 -15.950 3.122 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.328 -14.328 3.058 1.00 0.00 C ATOM 0 H VAL A 63 -7.826 -15.050 5.304 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.889 -14.812 5.473 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.237 -13.811 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.539 -15.992 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.441 -16.126 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.115 -16.716 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.320 -14.440 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.019 -15.051 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.649 -13.319 3.316 1.00 0.00 H new ATOM 949 N GLN A 64 -4.883 -12.248 5.555 1.00 0.00 N ATOM 950 CA GLN A 64 -4.752 -10.794 5.561 1.00 0.00 C ATOM 951 C GLN A 64 -3.317 -10.484 5.116 1.00 0.00 C ATOM 952 O GLN A 64 -2.474 -11.391 5.110 1.00 0.00 O ATOM 953 CB GLN A 64 -5.063 -10.208 6.955 1.00 0.00 C ATOM 954 CG GLN A 64 -4.121 -10.672 8.073 1.00 0.00 C ATOM 955 CD GLN A 64 -4.520 -10.119 9.438 1.00 0.00 C ATOM 956 OE1 GLN A 64 -4.872 -10.862 10.347 1.00 0.00 O ATOM 957 NE2 GLN A 64 -4.406 -8.825 9.658 1.00 0.00 N ATOM 0 H GLN A 64 -3.971 -12.704 5.553 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.470 -10.332 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.023 -9.120 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.085 -10.475 7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.117 -11.761 8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.103 -10.358 7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.113 -8.203 8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.610 -8.445 10.582 1.00 0.00 H new ATOM 966 N VAL A 65 -3.003 -9.224 4.804 1.00 0.00 N ATOM 967 CA VAL A 65 -1.617 -8.769 4.763 1.00 0.00 C ATOM 968 C VAL A 65 -1.568 -7.300 5.198 1.00 0.00 C ATOM 969 O VAL A 65 -2.580 -6.594 5.139 1.00 0.00 O ATOM 970 CB VAL A 65 -0.968 -9.099 3.389 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.355 -8.211 2.200 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.554 -9.080 3.477 1.00 0.00 C ATOM 0 H VAL A 65 -3.690 -8.505 4.577 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.994 -9.310 5.475 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.373 -10.090 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.832 -8.551 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.431 -8.272 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.078 -7.178 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.978 -9.314 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.888 -8.091 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.886 -9.821 4.204 1.00 0.00 H new ATOM 982 N GLU A 66 -0.412 -6.858 5.687 1.00 0.00 N ATOM 983 CA GLU A 66 -0.112 -5.458 5.953 1.00 0.00 C ATOM 984 C GLU A 66 0.440 -4.873 4.652 1.00 0.00 C ATOM 985 O GLU A 66 1.370 -5.434 4.073 1.00 0.00 O ATOM 986 CB GLU A 66 0.906 -5.364 7.107 1.00 0.00 C ATOM 987 CG GLU A 66 0.228 -5.599 8.470 1.00 0.00 C ATOM 988 CD GLU A 66 1.190 -6.020 9.591 1.00 0.00 C ATOM 989 OE1 GLU A 66 2.300 -5.444 9.711 1.00 0.00 O ATOM 990 OE2 GLU A 66 0.839 -6.952 10.346 1.00 0.00 O ATOM 0 H GLU A 66 0.361 -7.483 5.915 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.994 -4.897 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.696 -6.100 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.380 -4.382 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.283 -4.685 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.536 -6.368 8.355 1.00 0.00 H new ATOM 997 N LEU A 67 -0.118 -3.752 4.195 1.00 0.00 N ATOM 998 CA LEU A 67 0.353 -2.968 3.068 1.00 0.00 C ATOM 999 C LEU A 67 1.280 -1.910 3.650 1.00 0.00 C ATOM 1000 O LEU A 67 0.888 -1.088 4.476 1.00 0.00 O ATOM 1001 CB LEU A 67 -0.839 -2.316 2.340 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.435 -1.164 1.385 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -0.740 -1.428 -0.085 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.163 0.138 1.710 1.00 0.00 C ATOM 0 H LEU A 67 -0.951 -3.352 4.626 1.00 0.00 H new ATOM 0 HA LEU A 67 0.874 -3.584 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.366 -3.080 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.540 -1.932 3.082 1.00 0.00 H new ATOM 0 HG LEU A 67 0.641 -1.091 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.425 -0.572 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.202 -2.317 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.811 -1.585 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.847 0.915 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.239 -0.014 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.924 0.444 2.729 1.00 0.00 H new ATOM 1016 N ARG A 68 2.523 -1.931 3.184 1.00 0.00 N ATOM 1017 CA ARG A 68 3.527 -0.925 3.436 1.00 0.00 C ATOM 1018 C ARG A 68 3.614 -0.102 2.167 1.00 0.00 C ATOM 1019 O ARG A 68 3.888 -0.661 1.104 1.00 0.00 O ATOM 1020 CB ARG A 68 4.867 -1.615 3.738 1.00 0.00 C ATOM 1021 CG ARG A 68 5.821 -0.696 4.500 1.00 0.00 C ATOM 1022 CD ARG A 68 5.463 -0.642 5.985 1.00 0.00 C ATOM 1023 NE ARG A 68 6.499 0.073 6.736 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.870 -0.178 7.992 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.241 -1.086 8.734 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.886 0.508 8.493 1.00 0.00 N ATOM 0 H ARG A 68 2.866 -2.689 2.594 1.00 0.00 H new ATOM 0 HA ARG A 68 3.282 -0.294 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.687 -2.517 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.333 -1.928 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.845 -1.051 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.781 0.307 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.502 -0.145 6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.354 -1.654 6.376 1.00 0.00 H new ATOM 0 HE ARG A 68 6.980 0.832 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.456 -1.608 8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.544 -1.260 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.362 1.206 7.921 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.193 0.338 9.451 1.00 0.00 H new ATOM 1040 N VAL A 69 3.384 1.198 2.241 1.00 0.00 N ATOM 1041 CA VAL A 69 3.644 2.110 1.137 1.00 0.00 C ATOM 1042 C VAL A 69 4.635 3.119 1.688 1.00 0.00 C ATOM 1043 O VAL A 69 4.456 3.605 2.807 1.00 0.00 O ATOM 1044 CB VAL A 69 2.326 2.714 0.615 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.547 3.930 -0.285 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.556 1.673 -0.205 1.00 0.00 C ATOM 0 H VAL A 69 3.010 1.654 3.073 1.00 0.00 H new ATOM 0 HA VAL A 69 4.072 1.627 0.258 1.00 0.00 H new ATOM 0 HB VAL A 69 1.767 3.024 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.584 4.313 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.070 4.706 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.145 3.639 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.627 2.111 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.163 1.356 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.330 0.811 0.422 1.00 0.00 H new ATOM 1056 N LYS A 70 5.710 3.372 0.937 1.00 0.00 N ATOM 1057 CA LYS A 70 6.725 4.348 1.311 1.00 0.00 C ATOM 1058 C LYS A 70 6.476 5.675 0.606 1.00 0.00 C ATOM 1059 O LYS A 70 6.431 6.704 1.267 1.00 0.00 O ATOM 1060 CB LYS A 70 8.108 3.742 1.029 1.00 0.00 C ATOM 1061 CG LYS A 70 9.238 4.760 1.156 1.00 0.00 C ATOM 1062 CD LYS A 70 10.624 4.160 0.915 1.00 0.00 C ATOM 1063 CE LYS A 70 11.095 3.339 2.118 1.00 0.00 C ATOM 1064 NZ LYS A 70 12.534 3.029 2.017 1.00 0.00 N ATOM 0 H LYS A 70 5.897 2.902 0.051 1.00 0.00 H new ATOM 0 HA LYS A 70 6.678 4.576 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.287 2.919 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.117 3.320 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.071 5.568 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.209 5.202 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.599 3.527 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.338 4.959 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.902 3.892 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.523 2.413 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.828 2.472 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.711 2.482 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.078 3.915 1.985 1.00 0.00 H new ATOM 1078 N CYS A 71 6.299 5.615 -0.713 1.00 0.00 N ATOM 1079 CA CYS A 71 6.344 6.697 -1.685 1.00 0.00 C ATOM 1080 C CYS A 71 7.655 7.509 -1.659 1.00 0.00 C ATOM 1081 O CYS A 71 8.142 7.895 -0.597 1.00 0.00 O ATOM 1082 CB CYS A 71 5.128 7.606 -1.532 1.00 0.00 C ATOM 1083 SG CYS A 71 3.636 6.630 -1.839 1.00 0.00 S ATOM 0 H CYS A 71 6.102 4.723 -1.166 1.00 0.00 H new ATOM 0 HA CYS A 71 6.316 6.224 -2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.100 8.035 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.187 8.438 -2.234 1.00 0.00 H new ATOM 0 HG CYS A 71 3.093 7.008 -2.958 1.00 0.00 H new ATOM 1089 N PRO A 72 8.223 7.855 -2.823 1.00 0.00 N ATOM 1090 CA PRO A 72 9.131 8.986 -2.936 1.00 0.00 C ATOM 1091 C PRO A 72 8.377 10.295 -2.610 1.00 0.00 C ATOM 1092 O PRO A 72 7.152 10.285 -2.411 1.00 0.00 O ATOM 1093 CB PRO A 72 9.621 8.983 -4.394 1.00 0.00 C ATOM 1094 CG PRO A 72 8.896 7.847 -5.100 1.00 0.00 C ATOM 1095 CD PRO A 72 7.782 7.466 -4.141 1.00 0.00 C ATOM 0 HA PRO A 72 9.968 8.915 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.406 9.937 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.701 8.839 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.500 8.165 -6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.563 7.006 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.854 7.973 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.584 6.395 -4.183 1.00 0.00 H new ATOM 1103 N PRO A 73 9.063 11.453 -2.631 1.00 0.00 N ATOM 1104 CA PRO A 73 8.371 12.733 -2.713 1.00 0.00 C ATOM 1105 C PRO A 73 7.519 12.808 -3.992 1.00 0.00 C ATOM 1106 O PRO A 73 6.420 13.345 -3.969 1.00 0.00 O ATOM 1107 CB PRO A 73 9.467 13.804 -2.657 1.00 0.00 C ATOM 1108 CG PRO A 73 10.745 13.083 -3.086 1.00 0.00 C ATOM 1109 CD PRO A 73 10.508 11.622 -2.711 1.00 0.00 C ATOM 0 HA PRO A 73 7.666 12.878 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.240 14.636 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.565 14.217 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.923 13.194 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.619 13.487 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.937 10.954 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.981 11.383 -1.759 1.00 0.00 H new ATOM 1117 N THR A 74 7.981 12.216 -5.092 1.00 0.00 N ATOM 1118 CA THR A 74 7.481 12.399 -6.448 1.00 0.00 C ATOM 1119 C THR A 74 6.366 11.406 -6.839 1.00 0.00 C ATOM 1120 O THR A 74 6.111 11.182 -8.022 1.00 0.00 O ATOM 1121 CB THR A 74 8.714 12.357 -7.374 1.00 0.00 C ATOM 1122 OG1 THR A 74 9.542 11.253 -7.032 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.558 13.625 -7.216 1.00 0.00 C ATOM 0 H THR A 74 8.760 11.558 -5.055 1.00 0.00 H new ATOM 0 HA THR A 74 6.974 13.360 -6.541 1.00 0.00 H new ATOM 0 HB THR A 74 8.351 12.272 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.322 11.232 -7.626 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.422 13.572 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.956 14.497 -7.473 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.898 13.710 -6.184 1.00 0.00 H new ATOM 1131 N TYR A 75 5.685 10.782 -5.878 1.00 0.00 N ATOM 1132 CA TYR A 75 4.461 10.011 -6.131 1.00 0.00 C ATOM 1133 C TYR A 75 3.307 10.967 -6.495 1.00 0.00 C ATOM 1134 O TYR A 75 3.300 12.090 -5.990 1.00 0.00 O ATOM 1135 CB TYR A 75 4.156 9.213 -4.852 1.00 0.00 C ATOM 1136 CG TYR A 75 2.708 8.831 -4.632 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.816 9.750 -4.052 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.247 7.564 -5.023 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.466 9.410 -3.876 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.907 7.197 -4.807 1.00 0.00 C ATOM 1141 CZ TYR A 75 0.000 8.130 -4.252 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.319 7.815 -4.099 1.00 0.00 O ATOM 0 H TYR A 75 5.965 10.795 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 75 4.585 9.327 -6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.752 8.301 -4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.490 9.798 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.171 10.721 -3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.926 6.867 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.219 10.129 -3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.570 6.204 -5.065 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.862 8.626 -4.190 1.00 0.00 H new ATOM 1152 N PRO A 76 2.276 10.569 -7.272 1.00 0.00 N ATOM 1153 CA PRO A 76 2.160 9.380 -8.122 1.00 0.00 C ATOM 1154 C PRO A 76 2.846 9.569 -9.487 1.00 0.00 C ATOM 1155 O PRO A 76 2.743 8.691 -10.348 1.00 0.00 O ATOM 1156 CB PRO A 76 0.645 9.207 -8.321 1.00 0.00 C ATOM 1157 CG PRO A 76 0.162 10.648 -8.398 1.00 0.00 C ATOM 1158 CD PRO A 76 1.041 11.339 -7.361 1.00 0.00 C ATOM 0 HA PRO A 76 2.644 8.517 -7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.415 8.652 -9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.185 8.667 -7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.298 11.070 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.897 10.736 -8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.248 12.368 -7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.540 11.378 -6.394 1.00 0.00 H new ATOM 1166 N ASP A 77 3.523 10.705 -9.708 1.00 0.00 N ATOM 1167 CA ASP A 77 4.212 11.053 -10.955 1.00 0.00 C ATOM 1168 C ASP A 77 5.134 9.905 -11.380 1.00 0.00 C ATOM 1169 O ASP A 77 5.172 9.537 -12.553 1.00 0.00 O ATOM 1170 CB ASP A 77 4.980 12.368 -10.743 1.00 0.00 C ATOM 1171 CG ASP A 77 5.369 13.123 -12.013 1.00 0.00 C ATOM 1172 OD1 ASP A 77 6.317 12.692 -12.712 1.00 0.00 O ATOM 1173 OD2 ASP A 77 4.847 14.251 -12.196 1.00 0.00 O ATOM 0 H ASP A 77 3.608 11.431 -8.997 1.00 0.00 H new ATOM 0 HA ASP A 77 3.495 11.202 -11.762 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.371 13.027 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.888 12.150 -10.180 1.00 0.00 H new ATOM 1178 N VAL A 78 5.791 9.264 -10.411 1.00 0.00 N ATOM 1179 CA VAL A 78 6.328 7.911 -10.530 1.00 0.00 C ATOM 1180 C VAL A 78 5.509 6.960 -9.651 1.00 0.00 C ATOM 1181 O VAL A 78 4.892 7.387 -8.670 1.00 0.00 O ATOM 1182 CB VAL A 78 7.831 7.897 -10.193 1.00 0.00 C ATOM 1183 CG1 VAL A 78 8.629 8.439 -11.383 1.00 0.00 C ATOM 1184 CG2 VAL A 78 8.203 8.690 -8.930 1.00 0.00 C ATOM 0 H VAL A 78 5.968 9.685 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 78 6.241 7.562 -11.559 1.00 0.00 H new ATOM 0 HB VAL A 78 8.083 6.857 -9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.692 8.429 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.448 7.814 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.315 9.461 -11.596 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.279 8.628 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.915 9.733 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.680 8.271 -8.070 1.00 0.00 H new ATOM 1194 N VAL A 79 5.499 5.667 -9.984 1.00 0.00 N ATOM 1195 CA VAL A 79 4.781 4.645 -9.221 1.00 0.00 C ATOM 1196 C VAL A 79 5.448 4.423 -7.851 1.00 0.00 C ATOM 1197 O VAL A 79 6.675 4.533 -7.747 1.00 0.00 O ATOM 1198 CB VAL A 79 4.683 3.333 -10.019 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.650 3.427 -11.145 1.00 0.00 C ATOM 1200 CG2 VAL A 79 6.008 2.869 -10.632 1.00 0.00 C ATOM 0 H VAL A 79 5.993 5.298 -10.797 1.00 0.00 H new ATOM 0 HA VAL A 79 3.765 4.998 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 79 4.377 2.597 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.612 2.480 -11.684 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.669 3.643 -10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.933 4.224 -11.832 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.851 1.938 -11.177 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.379 3.632 -11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.738 2.706 -9.839 1.00 0.00 H new ATOM 1210 N PRO A 80 4.679 4.179 -6.777 1.00 0.00 N ATOM 1211 CA PRO A 80 5.219 4.041 -5.425 1.00 0.00 C ATOM 1212 C PRO A 80 5.842 2.673 -5.155 1.00 0.00 C ATOM 1213 O PRO A 80 5.561 1.680 -5.834 1.00 0.00 O ATOM 1214 CB PRO A 80 4.039 4.302 -4.494 1.00 0.00 C ATOM 1215 CG PRO A 80 2.808 3.974 -5.334 1.00 0.00 C ATOM 1216 CD PRO A 80 3.229 4.258 -6.762 1.00 0.00 C ATOM 0 HA PRO A 80 6.038 4.744 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.090 3.675 -3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.023 5.338 -4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.509 2.933 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.955 4.588 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.792 3.533 -7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.889 5.244 -7.080 1.00 0.00 H new ATOM 1224 N GLU A 81 6.678 2.620 -4.116 1.00 0.00 N ATOM 1225 CA GLU A 81 7.127 1.391 -3.503 1.00 0.00 C ATOM 1226 C GLU A 81 5.949 0.763 -2.768 1.00 0.00 C ATOM 1227 O GLU A 81 5.207 1.441 -2.047 1.00 0.00 O ATOM 1228 CB GLU A 81 8.262 1.729 -2.516 1.00 0.00 C ATOM 1229 CG GLU A 81 8.670 0.540 -1.635 1.00 0.00 C ATOM 1230 CD GLU A 81 9.857 0.806 -0.697 1.00 0.00 C ATOM 1231 OE1 GLU A 81 11.017 0.872 -1.168 1.00 0.00 O ATOM 1232 OE2 GLU A 81 9.666 0.880 0.541 1.00 0.00 O ATOM 0 H GLU A 81 7.064 3.455 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 81 7.498 0.688 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.131 2.073 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.946 2.554 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.811 0.240 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.917 -0.303 -2.280 1.00 0.00 H new ATOM 1239 N ILE A 82 5.849 -0.550 -2.936 1.00 0.00 N ATOM 1240 CA ILE A 82 4.839 -1.437 -2.401 1.00 0.00 C ATOM 1241 C ILE A 82 5.627 -2.550 -1.711 1.00 0.00 C ATOM 1242 O ILE A 82 6.515 -3.165 -2.312 1.00 0.00 O ATOM 1243 CB ILE A 82 3.985 -1.937 -3.590 1.00 0.00 C ATOM 1244 CG1 ILE A 82 3.111 -0.796 -4.166 1.00 0.00 C ATOM 1245 CG2 ILE A 82 3.092 -3.151 -3.285 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.762 -1.007 -5.641 1.00 0.00 C ATOM 0 H ILE A 82 6.532 -1.058 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 82 4.152 -0.982 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 82 4.718 -2.271 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.191 -0.720 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.637 0.152 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.533 -3.426 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.713 -3.990 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.395 -2.899 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.148 -0.177 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.679 -1.054 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.210 -1.940 -5.754 1.00 0.00 H new ATOM 1258 N ASP A 83 5.302 -2.831 -0.457 1.00 0.00 N ATOM 1259 CA ASP A 83 5.665 -4.081 0.197 1.00 0.00 C ATOM 1260 C ASP A 83 4.425 -4.620 0.895 1.00 0.00 C ATOM 1261 O ASP A 83 3.609 -3.826 1.367 1.00 0.00 O ATOM 1262 CB ASP A 83 6.839 -3.902 1.170 1.00 0.00 C ATOM 1263 CG ASP A 83 7.817 -5.070 1.086 1.00 0.00 C ATOM 1264 OD1 ASP A 83 7.402 -6.222 0.834 1.00 0.00 O ATOM 1265 OD2 ASP A 83 9.039 -4.839 1.252 1.00 0.00 O ATOM 0 H ASP A 83 4.775 -2.193 0.140 1.00 0.00 H new ATOM 0 HA ASP A 83 6.011 -4.798 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.361 -2.972 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.459 -3.816 2.188 1.00 0.00 H new ATOM 1270 N LEU A 84 4.262 -5.940 0.946 1.00 0.00 N ATOM 1271 CA LEU A 84 3.145 -6.636 1.579 1.00 0.00 C ATOM 1272 C LEU A 84 3.795 -7.584 2.564 1.00 0.00 C ATOM 1273 O LEU A 84 4.582 -8.443 2.169 1.00 0.00 O ATOM 1274 CB LEU A 84 2.239 -7.398 0.591 1.00 0.00 C ATOM 1275 CG LEU A 84 1.039 -6.639 0.008 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.333 -5.205 -0.402 1.00 0.00 C ATOM 1277 CD2 LEU A 84 0.493 -7.413 -1.193 1.00 0.00 C ATOM 0 H LEU A 84 4.935 -6.582 0.528 1.00 0.00 H new ATOM 0 HA LEU A 84 2.471 -5.920 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.857 -7.740 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.863 -8.288 1.096 1.00 0.00 H new ATOM 0 HG LEU A 84 0.304 -6.571 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.428 -4.748 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.671 -4.640 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.111 -5.197 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.360 -6.880 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.271 -7.506 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.178 -8.406 -0.873 1.00 0.00 H new ATOM 1289 N LYS A 85 3.544 -7.364 3.849 1.00 0.00 N ATOM 1290 CA LYS A 85 4.314 -7.969 4.935 1.00 0.00 C ATOM 1291 C LYS A 85 3.402 -8.583 5.986 1.00 0.00 C ATOM 1292 O LYS A 85 2.199 -8.315 6.001 1.00 0.00 O ATOM 1293 CB LYS A 85 5.227 -6.919 5.552 1.00 0.00 C ATOM 1294 CG LYS A 85 6.239 -6.378 4.527 1.00 0.00 C ATOM 1295 CD LYS A 85 7.604 -6.229 5.186 1.00 0.00 C ATOM 1296 CE LYS A 85 8.431 -5.160 4.468 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.699 -4.890 5.165 1.00 0.00 N ATOM 0 H LYS A 85 2.793 -6.754 4.172 1.00 0.00 H new ATOM 0 HA LYS A 85 4.921 -8.777 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.626 -6.097 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.761 -7.352 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.307 -7.055 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.903 -5.415 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.481 -5.959 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.132 -7.182 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.639 -5.485 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.852 -4.239 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.231 -4.161 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.501 -4.556 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.263 -5.763 5.210 1.00 0.00 H new ATOM 1311 N ASN A 86 3.989 -9.363 6.900 1.00 0.00 N ATOM 1312 CA ASN A 86 3.296 -10.031 8.011 1.00 0.00 C ATOM 1313 C ASN A 86 2.025 -10.760 7.532 1.00 0.00 C ATOM 1314 O ASN A 86 1.008 -10.771 8.236 1.00 0.00 O ATOM 1315 CB ASN A 86 3.019 -9.030 9.156 1.00 0.00 C ATOM 1316 CG ASN A 86 4.227 -8.779 10.041 1.00 0.00 C ATOM 1317 OD1 ASN A 86 4.437 -9.466 11.040 1.00 0.00 O ATOM 1318 ND2 ASN A 86 5.049 -7.795 9.723 1.00 0.00 N ATOM 0 H ASN A 86 4.991 -9.554 6.888 1.00 0.00 H new ATOM 0 HA ASN A 86 3.951 -10.805 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.687 -8.083 8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.201 -9.408 9.769 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.863 -7.601 10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.870 -7.229 8.894 1.00 0.00 H new ATOM 1325 N ALA A 87 2.059 -11.358 6.334 1.00 0.00 N ATOM 1326 CA ALA A 87 0.887 -11.990 5.734 1.00 0.00 C ATOM 1327 C ALA A 87 0.392 -13.145 6.601 1.00 0.00 C ATOM 1328 O ALA A 87 1.151 -13.715 7.392 1.00 0.00 O ATOM 1329 CB ALA A 87 1.200 -12.477 4.311 1.00 0.00 C ATOM 0 H ALA A 87 2.899 -11.415 5.759 1.00 0.00 H new ATOM 0 HA ALA A 87 0.094 -11.245 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.313 -12.944 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.497 -11.629 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.012 -13.203 4.345 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.872 -13.522 6.419 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.451 -14.732 6.992 1.00 0.00 C ATOM 1337 C LYS A 88 -2.128 -15.508 5.871 1.00 0.00 C ATOM 1338 O LYS A 88 -2.508 -14.916 4.853 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.403 -14.347 8.130 1.00 0.00 C ATOM 1340 CG LYS A 88 -1.625 -13.989 9.413 1.00 0.00 C ATOM 1341 CD LYS A 88 -2.390 -13.099 10.408 1.00 0.00 C ATOM 1342 CE LYS A 88 -1.708 -11.728 10.522 1.00 0.00 C ATOM 1343 NZ LYS A 88 -2.258 -10.900 11.612 1.00 0.00 N ATOM 0 H LYS A 88 -1.533 -12.984 5.859 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.692 -15.380 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.015 -13.498 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.084 -15.174 8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.341 -14.912 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.702 -13.483 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.421 -12.974 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.424 -13.579 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.640 -11.872 10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.817 -11.195 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.870 -9.937 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.294 -10.862 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.998 -11.316 12.529 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.255 -16.822 6.039 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.675 -17.759 5.004 1.00 0.00 C ATOM 1359 C GLY A 89 -1.583 -17.933 3.951 1.00 0.00 C ATOM 1360 O GLY A 89 -0.944 -18.985 3.864 1.00 0.00 O ATOM 0 H GLY A 89 -2.061 -17.278 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.909 -18.724 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.588 -17.399 4.531 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.352 -16.885 3.163 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.450 -16.842 2.022 1.00 0.00 C ATOM 1366 C LEU A 90 0.969 -16.783 2.583 1.00 0.00 C ATOM 1367 O LEU A 90 1.433 -15.689 2.907 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.755 -15.586 1.170 1.00 0.00 C ATOM 1369 CG LEU A 90 -2.236 -15.433 0.766 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -2.596 -13.944 0.732 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.550 -16.110 -0.568 1.00 0.00 C ATOM 0 H LEU A 90 -1.819 -15.991 3.316 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.570 -17.716 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.450 -14.701 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.146 -15.618 0.266 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.848 -15.939 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.642 -13.829 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.439 -13.509 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.964 -13.433 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.605 -15.973 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.940 -15.665 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.330 -17.175 -0.496 1.00 0.00 H new ATOM 1383 N SER A 91 1.639 -17.918 2.792 1.00 0.00 N ATOM 1384 CA SER A 91 2.942 -18.007 3.461 1.00 0.00 C ATOM 1385 C SER A 91 4.077 -17.433 2.599 1.00 0.00 C ATOM 1386 O SER A 91 4.945 -18.157 2.113 1.00 0.00 O ATOM 1387 CB SER A 91 3.197 -19.459 3.871 1.00 0.00 C ATOM 1388 OG SER A 91 2.173 -19.909 4.743 1.00 0.00 O ATOM 0 H SER A 91 1.282 -18.826 2.493 1.00 0.00 H new ATOM 0 HA SER A 91 2.921 -17.390 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.235 -20.093 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.166 -19.541 4.364 1.00 0.00 H new ATOM 0 HG SER A 91 2.345 -20.840 4.997 1.00 0.00 H new ATOM 1394 N ASN A 92 4.069 -16.114 2.410 1.00 0.00 N ATOM 1395 CA ASN A 92 4.820 -15.322 1.435 1.00 0.00 C ATOM 1396 C ASN A 92 4.629 -15.741 -0.032 1.00 0.00 C ATOM 1397 O ASN A 92 5.201 -15.087 -0.903 1.00 0.00 O ATOM 1398 CB ASN A 92 6.282 -15.084 1.864 1.00 0.00 C ATOM 1399 CG ASN A 92 6.407 -13.696 2.486 1.00 0.00 C ATOM 1400 OD1 ASN A 92 6.479 -12.686 1.790 1.00 0.00 O ATOM 1401 ND2 ASN A 92 6.354 -13.594 3.801 1.00 0.00 N ATOM 0 H ASN A 92 3.481 -15.516 2.990 1.00 0.00 H new ATOM 0 HA ASN A 92 4.355 -14.336 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.591 -15.845 2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.944 -15.170 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.373 -12.675 4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.294 -14.435 4.376 1.00 0.00 H new ATOM 1408 N GLU A 93 3.782 -16.742 -0.325 1.00 0.00 N ATOM 1409 CA GLU A 93 3.625 -17.309 -1.665 1.00 0.00 C ATOM 1410 C GLU A 93 2.938 -16.331 -2.617 1.00 0.00 C ATOM 1411 O GLU A 93 3.607 -15.545 -3.284 1.00 0.00 O ATOM 1412 CB GLU A 93 2.859 -18.644 -1.651 1.00 0.00 C ATOM 1413 CG GLU A 93 3.611 -19.840 -1.064 1.00 0.00 C ATOM 1414 CD GLU A 93 2.797 -21.138 -1.177 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.949 -21.300 -2.089 1.00 0.00 O ATOM 1416 OE2 GLU A 93 2.991 -22.043 -0.344 1.00 0.00 O ATOM 0 H GLU A 93 3.183 -17.182 0.373 1.00 0.00 H new ATOM 0 HA GLU A 93 4.635 -17.502 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.937 -18.506 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.572 -18.887 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.562 -19.961 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.842 -19.646 -0.017 1.00 0.00 H new ATOM 1423 N SER A 94 1.602 -16.312 -2.661 1.00 0.00 N ATOM 1424 CA SER A 94 0.851 -15.404 -3.524 1.00 0.00 C ATOM 1425 C SER A 94 0.998 -13.934 -3.108 1.00 0.00 C ATOM 1426 O SER A 94 0.372 -13.047 -3.682 1.00 0.00 O ATOM 1427 CB SER A 94 -0.621 -15.790 -3.563 1.00 0.00 C ATOM 1428 OG SER A 94 -0.831 -17.183 -3.454 1.00 0.00 O ATOM 0 H SER A 94 1.014 -16.927 -2.098 1.00 0.00 H new ATOM 0 HA SER A 94 1.277 -15.503 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.145 -15.285 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.059 -15.434 -4.495 1.00 0.00 H new ATOM 0 HG SER A 94 -1.433 -17.480 -4.168 1.00 0.00 H new ATOM 1434 N VAL A 95 1.809 -13.660 -2.092 1.00 0.00 N ATOM 1435 CA VAL A 95 2.283 -12.331 -1.774 1.00 0.00 C ATOM 1436 C VAL A 95 3.144 -11.863 -2.938 1.00 0.00 C ATOM 1437 O VAL A 95 2.894 -10.764 -3.408 1.00 0.00 O ATOM 1438 CB VAL A 95 3.044 -12.325 -0.440 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.262 -10.886 0.051 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.260 -13.170 0.579 1.00 0.00 C ATOM 0 H VAL A 95 2.159 -14.377 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 95 1.450 -11.641 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 95 4.033 -12.765 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.803 -10.902 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.841 -10.333 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.297 -10.400 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.789 -13.175 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.267 -12.743 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.168 -14.192 0.210 1.00 0.00 H new ATOM 1450 N ASN A 96 4.043 -12.710 -3.470 1.00 0.00 N ATOM 1451 CA ASN A 96 4.800 -12.429 -4.692 1.00 0.00 C ATOM 1452 C ASN A 96 3.840 -11.950 -5.772 1.00 0.00 C ATOM 1453 O ASN A 96 4.046 -10.899 -6.376 1.00 0.00 O ATOM 1454 CB ASN A 96 5.513 -13.688 -5.234 1.00 0.00 C ATOM 1455 CG ASN A 96 6.608 -14.244 -4.343 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.614 -13.592 -4.079 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.476 -15.462 -3.852 1.00 0.00 N ATOM 0 H ASN A 96 4.263 -13.616 -3.056 1.00 0.00 H new ATOM 0 HA ASN A 96 5.548 -11.675 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.768 -14.467 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.943 -13.452 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.207 -15.854 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.643 -16.011 -4.066 1.00 0.00 H new ATOM 1464 N LEU A 97 2.767 -12.726 -5.982 1.00 0.00 N ATOM 1465 CA LEU A 97 1.826 -12.495 -7.058 1.00 0.00 C ATOM 1466 C LEU A 97 1.175 -11.134 -6.877 1.00 0.00 C ATOM 1467 O LEU A 97 1.209 -10.288 -7.766 1.00 0.00 O ATOM 1468 CB LEU A 97 0.806 -13.633 -7.022 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.257 -13.560 -8.121 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.873 -14.961 -8.160 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.346 -12.524 -7.835 1.00 0.00 C ATOM 0 H LEU A 97 2.537 -13.532 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 97 2.316 -12.486 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.335 -14.582 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.310 -13.630 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 97 0.193 -13.253 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.649 -14.996 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.099 -15.692 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.310 -15.193 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.069 -12.521 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.852 -12.776 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.894 -11.536 -7.747 1.00 0.00 H new ATOM 1483 N LEU A 98 0.554 -10.936 -5.716 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.230 -9.749 -5.455 1.00 0.00 C ATOM 1485 C LEU A 98 0.671 -8.526 -5.457 1.00 0.00 C ATOM 1486 O LEU A 98 0.277 -7.484 -5.954 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.950 -9.926 -4.117 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.868 -8.759 -3.714 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.887 -8.390 -4.802 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.563 -9.126 -2.388 1.00 0.00 C ATOM 0 H LEU A 98 0.585 -11.595 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.978 -9.601 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.545 -10.839 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.203 -10.068 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.257 -7.866 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.504 -7.561 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.360 -8.096 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.522 -9.251 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.220 -8.311 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.151 -10.034 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.811 -9.293 -1.617 1.00 0.00 H new ATOM 1502 N LYS A 99 1.894 -8.625 -4.942 1.00 0.00 N ATOM 1503 CA LYS A 99 2.819 -7.505 -4.930 1.00 0.00 C ATOM 1504 C LYS A 99 3.165 -7.098 -6.361 1.00 0.00 C ATOM 1505 O LYS A 99 3.063 -5.913 -6.675 1.00 0.00 O ATOM 1506 CB LYS A 99 4.028 -7.878 -4.069 1.00 0.00 C ATOM 1507 CG LYS A 99 4.583 -6.673 -3.317 1.00 0.00 C ATOM 1508 CD LYS A 99 5.577 -7.134 -2.239 1.00 0.00 C ATOM 1509 CE LYS A 99 7.001 -6.816 -2.669 1.00 0.00 C ATOM 1510 NZ LYS A 99 7.993 -7.234 -1.664 1.00 0.00 N ATOM 0 H LYS A 99 2.266 -9.479 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 99 2.370 -6.621 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.741 -8.651 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.808 -8.302 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.078 -5.997 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.768 -6.115 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.355 -6.639 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.471 -8.206 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.213 -7.314 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.095 -5.744 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.907 -6.781 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.670 -6.949 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.104 -8.268 -1.695 1.00 0.00 H new ATOM 1524 N SER A 100 3.452 -8.062 -7.241 1.00 0.00 N ATOM 1525 CA SER A 100 3.589 -7.813 -8.672 1.00 0.00 C ATOM 1526 C SER A 100 2.329 -7.164 -9.257 1.00 0.00 C ATOM 1527 O SER A 100 2.434 -6.256 -10.080 1.00 0.00 O ATOM 1528 CB SER A 100 3.904 -9.126 -9.406 1.00 0.00 C ATOM 1529 OG SER A 100 5.163 -9.621 -8.996 1.00 0.00 O ATOM 0 H SER A 100 3.595 -9.037 -6.977 1.00 0.00 H new ATOM 0 HA SER A 100 4.414 -7.115 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.129 -9.863 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.903 -8.959 -10.483 1.00 0.00 H new ATOM 0 HG SER A 100 5.067 -10.091 -8.141 1.00 0.00 H new ATOM 1535 N HIS A 101 1.132 -7.603 -8.852 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.123 -7.050 -9.354 1.00 0.00 C ATOM 1537 C HIS A 101 -0.250 -5.585 -8.952 1.00 0.00 C ATOM 1538 O HIS A 101 -0.608 -4.758 -9.781 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.327 -7.865 -8.859 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.555 -9.150 -9.609 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.621 -9.860 -10.313 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.761 -9.803 -9.737 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -1.274 -10.934 -10.923 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -2.562 -10.865 -10.530 1.00 0.00 N flip ATOM 0 H HIS A 101 1.010 -8.350 -8.168 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.114 -7.111 -10.442 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.186 -8.094 -7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.223 -7.250 -8.935 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.696 -9.512 -9.282 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.835 -11.672 -11.578 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.286 -11.531 -10.800 1.00 0.00 H new ATOM 1552 N LEU A 102 0.072 -5.248 -7.706 1.00 0.00 N ATOM 1553 CA LEU A 102 0.045 -3.889 -7.181 1.00 0.00 C ATOM 1554 C LEU A 102 1.051 -3.001 -7.892 1.00 0.00 C ATOM 1555 O LEU A 102 0.714 -1.869 -8.238 1.00 0.00 O ATOM 1556 CB LEU A 102 0.227 -3.919 -5.668 1.00 0.00 C ATOM 1557 CG LEU A 102 -0.917 -4.654 -4.950 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.560 -4.713 -3.469 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.301 -4.035 -5.158 1.00 0.00 C ATOM 0 H LEU A 102 0.368 -5.936 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.929 -3.442 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.173 -4.405 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.290 -2.898 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.004 -5.650 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.351 -5.229 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.379 -5.252 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.453 -3.700 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.046 -4.618 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.301 -3.011 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.544 -4.035 -6.221 1.00 0.00 H new ATOM 1571 N GLU A 103 2.268 -3.490 -8.120 1.00 0.00 N ATOM 1572 CA GLU A 103 3.283 -2.724 -8.831 1.00 0.00 C ATOM 1573 C GLU A 103 2.857 -2.468 -10.276 1.00 0.00 C ATOM 1574 O GLU A 103 3.128 -1.393 -10.807 1.00 0.00 O ATOM 1575 CB GLU A 103 4.631 -3.447 -8.784 1.00 0.00 C ATOM 1576 CG GLU A 103 5.281 -3.385 -7.396 1.00 0.00 C ATOM 1577 CD GLU A 103 6.629 -4.099 -7.404 1.00 0.00 C ATOM 1578 OE1 GLU A 103 6.702 -5.288 -7.779 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.658 -3.467 -7.050 1.00 0.00 O ATOM 0 H GLU A 103 2.573 -4.416 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 103 3.393 -1.759 -8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.491 -4.489 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.304 -3.003 -9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.415 -2.345 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.623 -3.846 -6.659 1.00 0.00 H new ATOM 1586 N GLU A 104 2.168 -3.414 -10.914 1.00 0.00 N ATOM 1587 CA GLU A 104 1.685 -3.260 -12.279 1.00 0.00 C ATOM 1588 C GLU A 104 0.471 -2.340 -12.343 1.00 0.00 C ATOM 1589 O GLU A 104 0.414 -1.452 -13.196 1.00 0.00 O ATOM 1590 CB GLU A 104 1.298 -4.643 -12.831 1.00 0.00 C ATOM 1591 CG GLU A 104 2.496 -5.503 -13.242 1.00 0.00 C ATOM 1592 CD GLU A 104 2.991 -5.118 -14.630 1.00 0.00 C ATOM 1593 OE1 GLU A 104 3.400 -3.962 -14.851 1.00 0.00 O ATOM 1594 OE2 GLU A 104 2.869 -5.960 -15.550 1.00 0.00 O ATOM 0 H GLU A 104 1.930 -4.312 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 104 2.481 -2.814 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.722 -5.177 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.646 -4.510 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.301 -5.382 -12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.214 -6.556 -13.231 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.480 -2.536 -11.431 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.668 -1.718 -11.243 1.00 0.00 C ATOM 1603 C LEU A 105 -1.253 -0.269 -11.043 1.00 0.00 C ATOM 1604 O LEU A 105 -1.878 0.625 -11.600 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.449 -2.251 -10.028 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.687 -1.425 -9.644 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.716 -1.423 -10.775 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.326 -2.016 -8.383 1.00 0.00 C ATOM 0 H LEU A 105 -0.436 -3.312 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.313 -1.767 -12.120 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.762 -3.274 -10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.777 -2.291 -9.171 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.370 -0.399 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.582 -0.832 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.271 -0.990 -11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.029 -2.446 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.204 -1.430 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.623 -3.047 -8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.606 -1.992 -7.565 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.164 -0.021 -10.317 1.00 0.00 N ATOM 1621 CA ALA A 106 0.377 1.304 -10.128 1.00 0.00 C ATOM 1622 C ALA A 106 0.708 1.956 -11.480 1.00 0.00 C ATOM 1623 O ALA A 106 0.360 3.119 -11.672 1.00 0.00 O ATOM 1624 CB ALA A 106 1.582 1.198 -9.193 1.00 0.00 C ATOM 0 H ALA A 106 0.367 -0.751 -9.842 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.357 1.961 -9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.008 2.189 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.265 0.783 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.333 0.547 -9.640 1.00 0.00 H new ATOM 1630 N LYS A 107 1.321 1.243 -12.442 1.00 0.00 N ATOM 1631 CA LYS A 107 1.613 1.840 -13.758 1.00 0.00 C ATOM 1632 C LYS A 107 0.330 2.162 -14.522 1.00 0.00 C ATOM 1633 O LYS A 107 0.346 3.042 -15.379 1.00 0.00 O ATOM 1634 CB LYS A 107 2.445 0.925 -14.672 1.00 0.00 C ATOM 1635 CG LYS A 107 3.927 0.812 -14.304 1.00 0.00 C ATOM 1636 CD LYS A 107 4.285 -0.511 -13.633 1.00 0.00 C ATOM 1637 CE LYS A 107 5.359 -0.263 -12.575 1.00 0.00 C ATOM 1638 NZ LYS A 107 6.154 -1.463 -12.292 1.00 0.00 N ATOM 0 H LYS A 107 1.619 0.273 -12.338 1.00 0.00 H new ATOM 0 HA LYS A 107 2.181 2.741 -13.527 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.006 -0.073 -14.658 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.368 1.293 -15.695 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.528 0.928 -15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.192 1.633 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.400 -0.951 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.646 -1.223 -14.375 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.020 0.536 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.886 0.081 -11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.868 -1.244 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.530 -2.219 -11.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.628 -1.778 -13.162 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.758 1.435 -14.267 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.031 1.660 -14.934 1.00 0.00 C ATOM 1654 C LYS A 108 -2.712 2.861 -14.296 1.00 0.00 C ATOM 1655 O LYS A 108 -3.280 3.692 -14.996 1.00 0.00 O ATOM 1656 CB LYS A 108 -2.901 0.396 -14.840 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.268 -0.756 -15.638 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.115 -2.031 -15.685 1.00 0.00 C ATOM 1659 CE LYS A 108 -4.423 -1.753 -16.429 1.00 0.00 C ATOM 1660 NZ LYS A 108 -5.267 -2.952 -16.552 1.00 0.00 N ATOM 0 H LYS A 108 -0.777 0.673 -13.590 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.875 1.871 -15.992 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.015 0.103 -13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.900 0.606 -15.223 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.085 -0.418 -16.658 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.298 -0.994 -15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.563 -2.828 -16.184 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.327 -2.376 -14.673 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.977 -0.975 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.197 -1.368 -17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.140 -2.711 -17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.751 -3.687 -17.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.507 -3.306 -15.604 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.637 2.955 -12.971 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.239 4.012 -12.187 1.00 0.00 C ATOM 1676 C GLN A 109 -2.507 5.346 -12.352 1.00 0.00 C ATOM 1677 O GLN A 109 -3.109 6.393 -12.120 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.209 3.603 -10.715 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.166 2.479 -10.316 1.00 0.00 C ATOM 1680 CD GLN A 109 -5.550 3.065 -10.152 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -5.873 3.643 -9.127 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.363 2.959 -11.182 1.00 0.00 N ATOM 0 H GLN A 109 -2.138 2.272 -12.402 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.261 4.153 -12.538 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.194 3.296 -10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -3.436 4.480 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.173 1.699 -11.077 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.838 2.014 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.059 2.469 -12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.297 3.367 -11.139 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.224 5.293 -12.736 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.361 6.419 -13.050 1.00 0.00 C ATOM 1693 C CYS A 110 -1.157 7.459 -13.830 1.00 0.00 C ATOM 1694 O CYS A 110 -1.552 7.235 -14.976 1.00 0.00 O ATOM 1695 CB CYS A 110 0.850 5.915 -13.836 1.00 0.00 C ATOM 1696 SG CYS A 110 1.825 7.296 -14.504 1.00 0.00 S ATOM 0 H CYS A 110 -0.739 4.402 -12.839 1.00 0.00 H new ATOM 0 HA CYS A 110 0.004 6.894 -12.139 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.478 5.304 -13.188 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.516 5.275 -14.652 1.00 0.00 H new ATOM 0 HG CYS A 110 2.844 6.829 -15.162 1.00 0.00 H new ATOM 1702 N GLY A 111 -1.417 8.582 -13.173 1.00 0.00 N ATOM 1703 CA GLY A 111 -2.354 9.584 -13.638 1.00 0.00 C ATOM 1704 C GLY A 111 -3.109 10.182 -12.462 1.00 0.00 C ATOM 1705 O GLY A 111 -3.395 11.385 -12.464 1.00 0.00 O ATOM 0 H GLY A 111 -0.972 8.822 -12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.822 10.369 -14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.057 9.137 -14.341 1.00 0.00 H new ATOM 1709 N GLU A 112 -3.363 9.410 -11.406 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.890 9.906 -10.144 1.00 0.00 C ATOM 1711 C GLU A 112 -3.386 9.030 -8.999 1.00 0.00 C ATOM 1712 O GLU A 112 -2.521 8.171 -9.185 1.00 0.00 O ATOM 1713 CB GLU A 112 -5.424 10.045 -10.189 1.00 0.00 C ATOM 1714 CG GLU A 112 -6.202 8.737 -10.351 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.707 8.971 -10.184 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.366 9.473 -11.133 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.235 8.701 -9.085 1.00 0.00 O ATOM 0 H GLU A 112 -3.204 8.403 -11.408 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.519 10.915 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.754 10.532 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.687 10.708 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.003 8.311 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.859 8.011 -9.614 1.00 0.00 H new ATOM 1724 N VAL A 113 -3.890 9.304 -7.800 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.599 8.555 -6.593 1.00 0.00 C ATOM 1726 C VAL A 113 -4.089 7.116 -6.759 1.00 0.00 C ATOM 1727 O VAL A 113 -5.163 6.876 -7.313 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.236 9.272 -5.384 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.611 10.665 -5.237 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.766 9.427 -5.484 1.00 0.00 C ATOM 0 H VAL A 113 -4.533 10.080 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.525 8.509 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.037 8.644 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.058 11.176 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.537 10.567 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.794 11.243 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.138 9.940 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.016 10.009 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.228 8.442 -5.554 1.00 0.00 H new ATOM 1740 N MET A 114 -3.305 6.159 -6.265 1.00 0.00 N ATOM 1741 CA MET A 114 -3.515 4.735 -6.529 1.00 0.00 C ATOM 1742 C MET A 114 -3.586 3.921 -5.248 1.00 0.00 C ATOM 1743 O MET A 114 -4.031 2.782 -5.294 1.00 0.00 O ATOM 1744 CB MET A 114 -2.361 4.224 -7.397 1.00 0.00 C ATOM 1745 CG MET A 114 -0.983 4.518 -6.794 1.00 0.00 C ATOM 1746 SD MET A 114 -0.133 5.923 -7.564 1.00 0.00 S ATOM 1747 CE MET A 114 0.399 5.244 -9.142 1.00 0.00 C ATOM 0 H MET A 114 -2.501 6.350 -5.667 1.00 0.00 H new ATOM 0 HA MET A 114 -4.470 4.619 -7.042 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.468 3.148 -7.538 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.425 4.682 -8.384 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.097 4.714 -5.728 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.358 3.630 -6.889 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.932 6.009 -9.706 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.060 4.395 -8.968 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.472 4.916 -9.709 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.151 4.479 -4.112 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.135 3.808 -2.814 1.00 0.00 C ATOM 1759 C ILE A 115 -4.497 3.157 -2.549 1.00 0.00 C ATOM 1760 O ILE A 115 -4.534 1.981 -2.180 1.00 0.00 O ATOM 1761 CB ILE A 115 -2.712 4.799 -1.687 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.232 5.217 -1.845 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -2.911 4.220 -0.274 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -0.750 6.318 -0.884 1.00 0.00 C ATOM 0 H ILE A 115 -2.792 5.433 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.389 3.013 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.363 5.666 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.606 4.336 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.076 5.558 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.599 4.955 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.963 3.978 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.311 3.316 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.300 6.536 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.343 7.220 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.866 5.979 0.145 1.00 0.00 H new ATOM 1776 N PHE A 116 -5.592 3.888 -2.777 1.00 0.00 N ATOM 1777 CA PHE A 116 -6.932 3.383 -2.529 1.00 0.00 C ATOM 1778 C PHE A 116 -7.194 2.131 -3.364 1.00 0.00 C ATOM 1779 O PHE A 116 -7.619 1.114 -2.820 1.00 0.00 O ATOM 1780 CB PHE A 116 -7.983 4.461 -2.806 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.240 5.429 -1.670 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -8.875 4.954 -0.507 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -7.915 6.798 -1.789 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.155 5.838 0.545 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.204 7.683 -0.731 1.00 0.00 C ATOM 1786 CZ PHE A 116 -8.812 7.197 0.442 1.00 0.00 C ATOM 0 H PHE A 116 -5.568 4.842 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.007 3.111 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.672 5.030 -3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -8.922 3.971 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.146 3.912 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.446 7.166 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -9.637 5.472 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.960 8.731 -0.820 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.015 7.869 1.263 1.00 0.00 H new ATOM 1796 N GLU A 117 -6.893 2.181 -4.662 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.018 1.047 -5.564 1.00 0.00 C ATOM 1798 C GLU A 117 -6.150 -0.115 -5.092 1.00 0.00 C ATOM 1799 O GLU A 117 -6.576 -1.259 -5.192 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.611 1.443 -6.988 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.680 1.133 -8.048 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.141 -0.330 -8.144 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.009 -0.766 -7.354 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -7.739 -1.024 -9.109 1.00 0.00 O ATOM 0 H GLU A 117 -6.550 3.026 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.062 0.734 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.391 2.510 -7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.690 0.922 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.553 1.754 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.294 1.434 -9.022 1.00 0.00 H new ATOM 1811 N LEU A 118 -4.943 0.145 -4.569 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.062 -0.924 -4.123 1.00 0.00 C ATOM 1813 C LEU A 118 -4.771 -1.708 -3.032 1.00 0.00 C ATOM 1814 O LEU A 118 -4.882 -2.935 -3.108 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.692 -0.426 -3.616 1.00 0.00 C ATOM 1816 CG LEU A 118 -1.874 0.456 -4.582 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.392 0.232 -4.307 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.099 0.252 -6.080 1.00 0.00 C ATOM 0 H LEU A 118 -4.563 1.084 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.847 -1.555 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.854 0.136 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.089 -1.296 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.224 1.467 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.201 0.849 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.168 0.505 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.147 -0.818 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.461 0.936 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.853 -0.776 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.143 0.450 -6.321 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.206 -1.002 -1.989 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.004 -1.574 -0.916 1.00 0.00 C ATOM 1832 C ALA A 119 -7.227 -2.317 -1.463 1.00 0.00 C ATOM 1833 O ALA A 119 -7.377 -3.506 -1.182 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.386 -0.484 0.079 1.00 0.00 C ATOM 0 H ALA A 119 -5.010 -0.008 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.407 -2.318 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.984 -0.917 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.483 -0.041 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.965 0.286 -0.430 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.061 -1.661 -2.274 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.259 -2.244 -2.868 1.00 0.00 C ATOM 1842 C HIS A 120 -8.949 -3.568 -3.577 1.00 0.00 C ATOM 1843 O HIS A 120 -9.648 -4.561 -3.369 1.00 0.00 O ATOM 1844 CB HIS A 120 -9.883 -1.248 -3.854 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.039 -0.470 -3.287 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.364 -0.794 -3.445 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -10.982 0.709 -2.598 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.101 0.161 -2.868 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.305 1.125 -2.370 1.00 0.00 N ATOM 0 H HIS A 120 -7.915 -0.687 -2.540 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.967 -2.457 -2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.115 -0.549 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.221 -1.790 -4.737 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.086 1.225 -2.286 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.179 0.159 -2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.603 1.988 -1.916 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.913 -3.587 -4.410 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.473 -4.739 -5.174 1.00 0.00 C ATOM 1859 C HIS A 121 -7.079 -5.881 -4.230 1.00 0.00 C ATOM 1860 O HIS A 121 -7.571 -6.998 -4.378 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.336 -4.289 -6.101 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.847 -5.352 -7.041 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.197 -5.489 -8.363 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.893 -6.287 -6.763 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.455 -6.483 -8.874 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -4.666 -7.025 -7.926 1.00 0.00 N ATOM 0 H HIS A 121 -7.336 -2.762 -4.575 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.276 -5.135 -5.796 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.676 -3.433 -6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.500 -3.947 -5.491 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -6.893 -4.936 -8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.401 -6.431 -5.812 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.486 -6.805 -9.904 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.245 -5.617 -3.217 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.906 -6.609 -2.202 1.00 0.00 C ATOM 1876 C VAL A 122 -7.160 -7.123 -1.497 1.00 0.00 C ATOM 1877 O VAL A 122 -7.253 -8.323 -1.258 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.896 -6.039 -1.193 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.641 -6.935 0.028 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.557 -5.823 -1.889 1.00 0.00 C ATOM 0 H VAL A 122 -5.791 -4.714 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.436 -7.456 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.338 -5.111 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.916 -6.456 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.575 -7.089 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.250 -7.897 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.838 -5.419 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.190 -6.774 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.684 -5.122 -2.714 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.118 -6.262 -1.151 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.323 -6.691 -0.453 1.00 0.00 C ATOM 1892 C GLN A 123 -10.097 -7.716 -1.303 1.00 0.00 C ATOM 1893 O GLN A 123 -10.600 -8.702 -0.758 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.170 -5.460 -0.047 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.523 -4.547 1.025 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.032 -3.090 1.032 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -9.261 -2.137 1.133 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -11.328 -2.847 0.936 1.00 0.00 N ATOM 0 H GLN A 123 -8.079 -5.261 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 123 -9.055 -7.201 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.369 -4.865 -0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.133 -5.807 0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.701 -4.983 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.444 -4.539 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -11.987 -3.621 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.669 -1.886 0.947 1.00 0.00 H new ATOM 1907 N SER A 124 -10.116 -7.538 -2.629 1.00 0.00 N ATOM 1908 CA SER A 124 -10.689 -8.485 -3.580 1.00 0.00 C ATOM 1909 C SER A 124 -9.901 -9.800 -3.577 1.00 0.00 C ATOM 1910 O SER A 124 -10.476 -10.885 -3.445 1.00 0.00 O ATOM 1911 CB SER A 124 -10.677 -7.848 -4.983 1.00 0.00 C ATOM 1912 OG SER A 124 -11.651 -8.434 -5.822 1.00 0.00 O ATOM 0 H SER A 124 -9.723 -6.710 -3.077 1.00 0.00 H new ATOM 0 HA SER A 124 -11.715 -8.714 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.863 -6.777 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.690 -7.967 -5.430 1.00 0.00 H new ATOM 0 HG SER A 124 -11.621 -8.009 -6.704 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.575 -9.702 -3.708 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.679 -10.831 -3.868 1.00 0.00 C ATOM 1920 C PHE A 125 -7.735 -11.700 -2.620 1.00 0.00 C ATOM 1921 O PHE A 125 -7.659 -12.928 -2.702 1.00 0.00 O ATOM 1922 CB PHE A 125 -6.276 -10.233 -4.016 1.00 0.00 C ATOM 1923 CG PHE A 125 -5.137 -11.215 -3.932 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.664 -11.594 -2.667 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.554 -11.740 -5.093 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.608 -12.509 -2.560 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.529 -12.696 -4.989 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.040 -13.049 -3.723 1.00 0.00 C ATOM 0 H PHE A 125 -8.090 -8.805 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.948 -11.446 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -6.219 -9.719 -4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -6.139 -9.478 -3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.113 -11.181 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.891 -11.411 -6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.234 -12.796 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.121 -13.155 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.217 -13.744 -3.643 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.820 -11.054 -1.454 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.807 -11.717 -0.175 1.00 0.00 C ATOM 1940 C LEU A 126 -9.031 -12.613 -0.098 1.00 0.00 C ATOM 1941 O LEU A 126 -8.872 -13.791 0.168 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.769 -10.711 0.988 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.371 -10.141 1.280 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.513 -9.006 2.294 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.414 -11.187 1.868 1.00 0.00 C ATOM 0 H LEU A 126 -7.901 -10.039 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.902 -12.317 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.446 -9.887 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.146 -11.197 1.887 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.953 -9.799 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.530 -8.589 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.154 -8.227 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.957 -9.392 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.443 -10.728 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.821 -11.567 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.297 -12.010 1.163 1.00 0.00 H new ATOM 1957 N SER A 127 -10.235 -12.095 -0.340 1.00 0.00 N ATOM 1958 CA SER A 127 -11.468 -12.877 -0.341 1.00 0.00 C ATOM 1959 C SER A 127 -11.408 -14.075 -1.293 1.00 0.00 C ATOM 1960 O SER A 127 -11.816 -15.177 -0.924 1.00 0.00 O ATOM 1961 CB SER A 127 -12.634 -11.949 -0.672 1.00 0.00 C ATOM 1962 OG SER A 127 -13.135 -11.403 0.523 1.00 0.00 O ATOM 0 H SER A 127 -10.382 -11.106 -0.544 1.00 0.00 H new ATOM 0 HA SER A 127 -11.610 -13.305 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.305 -11.154 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.418 -12.499 -1.193 1.00 0.00 H new ATOM 0 HG SER A 127 -13.884 -10.804 0.320 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.830 -13.909 -2.479 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.655 -14.994 -3.436 1.00 0.00 C ATOM 1970 C GLU A 128 -9.705 -16.078 -2.914 1.00 0.00 C ATOM 1971 O GLU A 128 -9.884 -17.252 -3.220 1.00 0.00 O ATOM 1972 CB GLU A 128 -10.080 -14.367 -4.698 1.00 0.00 C ATOM 1973 CG GLU A 128 -11.168 -13.733 -5.571 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.584 -13.232 -6.886 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -9.781 -12.277 -6.879 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -10.947 -13.749 -7.970 1.00 0.00 O ATOM 0 H GLU A 128 -10.468 -13.012 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.611 -15.484 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.347 -13.608 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -9.552 -15.128 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.952 -14.464 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.633 -12.905 -5.036 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.694 -15.700 -2.129 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.799 -16.630 -1.447 1.00 0.00 C ATOM 1985 C HIS A 129 -8.333 -17.040 -0.063 1.00 0.00 C ATOM 1986 O HIS A 129 -7.720 -17.874 0.606 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.405 -15.988 -1.342 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.460 -16.439 -2.428 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.872 -15.663 -3.389 1.00 0.00 N flip ATOM 1990 CD2 HIS A 129 -4.958 -17.710 -2.562 1.00 0.00 C flip ATOM 1991 CE1 HIS A 129 -3.970 -16.469 -4.101 1.00 0.00 C flip ATOM 1992 NE2 HIS A 129 -4.078 -17.699 -3.571 1.00 0.00 N flip ATOM 0 H HIS A 129 -8.473 -14.721 -1.948 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.736 -17.549 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.507 -14.904 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.973 -16.229 -0.371 1.00 0.00 H new ATOM 0 HD1 HIS A 129 -5.056 -14.674 -3.558 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.225 -18.566 -1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.322 -16.163 -4.909 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.436 -16.443 0.398 1.00 0.00 N ATOM 2001 CA ASN A 130 -9.978 -16.647 1.746 1.00 0.00 C ATOM 2002 C ASN A 130 -10.754 -17.956 1.784 1.00 0.00 C ATOM 2003 O ASN A 130 -10.362 -18.867 2.516 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.837 -15.450 2.200 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.621 -15.706 3.476 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.580 -16.454 3.479 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.290 -15.061 4.579 1.00 0.00 N ATOM 0 H ASN A 130 -9.987 -15.794 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.153 -16.713 2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -10.189 -14.586 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.534 -15.192 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -11.838 -15.191 5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -10.486 -14.433 4.581 1.00 0.00 H new