USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 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 76 SER OG : rot 161:sc= -2.37! USER MOD Set 1.2: A 79 GLN : amide:sc= -4.6! C(o=-7!,f=-10!) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.375 K(o=-0.68,f=-2.6) USER MOD Set 2.2: A 22 LYS NZ :NH3+ -143:sc= -0.307 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 32:sc= 0.269 USER MOD Single : A 13 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.69) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 67:sc= 0.00299 USER MOD Single : A 27 THR OG1 : rot 69:sc= 0.138 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0947 F(o=-8.5!,f=-0.095) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -4.7 K(o=-4.7,f=-8!) USER MOD Single : A 34 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.88! C(o=-5.9!,f=-5.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 46 GLN : amide:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 164:sc= 0 (180deg=-0.366) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -2.57! C(o=-2.6!,f=-9.4!) USER MOD Single : A 85 SER OG : rot -42:sc= 0.459 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.936 K(o=-0.94,f=-5.3!) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.0188 (180deg=-0.283) USER MOD Single : A 100 LYS NZ :NH3+ 145:sc= -2.18! (180deg=-3.38!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot -32:sc= -0.853 USER MOD Single : A 112 LYS NZ :NH3+ -132:sc= -0.519 (180deg=-1.39!) USER MOD Single : A 113 SER OG : rot -170:sc= -3.09! USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.25) USER MOD Single : A 123 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 124 LYS NZ :NH3+ -172:sc= -8.14! (180deg=-8.99!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc=-0.00354 F(o=-0.93,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 19.395 -6.326 1.322 1.00 1.61 N ATOM 138 CA THR A 9 20.189 -5.339 2.115 1.00 1.66 C ATOM 139 C THR A 9 19.293 -4.506 3.027 1.00 1.62 C ATOM 140 O THR A 9 19.755 -3.910 3.979 1.00 1.65 O ATOM 141 CB THR A 9 20.939 -4.415 1.152 1.00 1.71 C ATOM 142 OG1 THR A 9 21.630 -5.200 0.191 1.00 1.71 O ATOM 143 CG2 THR A 9 21.939 -3.561 1.929 1.00 1.78 C ATOM 0 HA THR A 9 20.892 -5.886 2.743 1.00 1.66 H new ATOM 0 HB THR A 9 20.227 -3.762 0.648 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.123 -6.020 0.013 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.470 -2.905 1.239 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.408 -2.959 2.666 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.654 -4.209 2.437 1.00 1.78 H new ATOM 151 N LEU A 10 18.028 -4.450 2.757 1.00 1.55 N ATOM 152 CA LEU A 10 17.134 -3.637 3.628 1.00 1.52 C ATOM 153 C LEU A 10 16.912 -4.376 4.950 1.00 1.51 C ATOM 154 O LEU A 10 17.008 -3.804 6.017 1.00 1.54 O ATOM 155 CB LEU A 10 15.792 -3.413 2.910 1.00 1.44 C ATOM 156 CG LEU A 10 15.861 -2.164 2.012 1.00 1.43 C ATOM 157 CD1 LEU A 10 14.585 -2.088 1.168 1.00 1.48 C ATOM 158 CD2 LEU A 10 15.996 -0.882 2.869 1.00 1.36 C ATOM 0 H LEU A 10 17.571 -4.926 1.979 1.00 1.55 H new ATOM 0 HA LEU A 10 17.591 -2.669 3.834 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.545 -4.287 2.308 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.995 -3.296 3.645 1.00 1.44 H new ATOM 0 HG LEU A 10 16.735 -2.238 1.365 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.624 -1.206 0.528 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.504 -2.982 0.550 1.00 1.48 H new ATOM 0 HD13 LEU A 10 13.718 -2.022 1.825 1.00 1.48 H new ATOM 0 HD21 LEU A 10 16.043 -0.011 2.216 1.00 1.36 H new ATOM 0 HD22 LEU A 10 15.134 -0.794 3.530 1.00 1.36 H new ATOM 0 HD23 LEU A 10 16.906 -0.938 3.466 1.00 1.36 H new ATOM 170 N PHE A 11 16.611 -5.641 4.885 1.00 1.48 N ATOM 171 CA PHE A 11 16.371 -6.427 6.126 1.00 1.48 C ATOM 172 C PHE A 11 17.690 -6.982 6.655 1.00 1.55 C ATOM 173 O PHE A 11 17.763 -7.469 7.765 1.00 1.57 O ATOM 174 CB PHE A 11 15.431 -7.583 5.779 1.00 1.42 C ATOM 175 CG PHE A 11 14.027 -7.070 5.724 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.218 -7.037 6.863 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.562 -6.610 4.522 1.00 1.31 C ATOM 178 CE1 PHE A 11 11.916 -6.533 6.768 1.00 1.27 C ATOM 179 CE2 PHE A 11 12.272 -6.101 4.410 1.00 1.25 C ATOM 180 CZ PHE A 11 11.442 -6.062 5.537 1.00 1.23 C ATOM 0 H PHE A 11 16.520 -6.169 4.017 1.00 1.48 H new ATOM 0 HA PHE A 11 15.929 -5.791 6.893 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.710 -8.020 4.820 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.514 -8.373 6.526 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.595 -7.398 7.809 1.00 1.34 H new ATOM 0 HD2 PHE A 11 14.202 -6.642 3.653 1.00 1.31 H new ATOM 0 HE1 PHE A 11 11.279 -6.507 7.640 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.913 -5.738 3.459 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.439 -5.670 5.457 1.00 1.23 H new ATOM 190 N ASP A 12 18.727 -6.925 5.863 1.00 1.58 N ATOM 191 CA ASP A 12 20.054 -7.468 6.314 1.00 1.65 C ATOM 192 C ASP A 12 21.028 -6.333 6.639 1.00 1.70 C ATOM 193 O ASP A 12 22.111 -6.574 7.134 1.00 1.75 O ATOM 194 CB ASP A 12 20.656 -8.337 5.209 1.00 1.68 C ATOM 195 CG ASP A 12 19.647 -9.409 4.792 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.737 -9.670 5.561 1.00 1.65 O ATOM 197 OD2 ASP A 12 19.803 -9.952 3.710 1.00 1.58 O ATOM 0 H ASP A 12 18.719 -6.528 4.924 1.00 1.58 H new ATOM 0 HA ASP A 12 19.891 -8.061 7.214 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.921 -7.720 4.351 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.575 -8.806 5.561 1.00 1.68 H new ATOM 202 N HIS A 13 20.683 -5.100 6.366 1.00 1.70 N ATOM 203 CA HIS A 13 21.647 -3.997 6.677 1.00 1.76 C ATOM 204 C HIS A 13 20.925 -2.664 6.910 1.00 1.73 C ATOM 205 O HIS A 13 21.512 -1.611 6.757 1.00 1.77 O ATOM 206 CB HIS A 13 22.622 -3.842 5.506 1.00 1.80 C ATOM 207 CG HIS A 13 23.823 -3.049 5.943 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.103 -1.792 5.432 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.828 -3.322 6.838 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.234 -1.359 6.017 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.718 -2.254 6.883 1.00 1.95 N ATOM 0 H HIS A 13 19.797 -4.812 5.951 1.00 1.70 H new ATOM 0 HA HIS A 13 22.180 -4.258 7.592 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.934 -4.823 5.148 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.128 -3.341 4.673 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.914 -4.228 7.419 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.695 -0.404 5.812 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.559 -2.172 7.454 1.00 1.95 H new ATOM 219 N ALA A 14 19.675 -2.678 7.292 1.00 1.66 N ATOM 220 CA ALA A 14 18.979 -1.377 7.538 1.00 1.63 C ATOM 221 C ALA A 14 17.577 -1.595 8.125 1.00 1.56 C ATOM 222 O ALA A 14 16.594 -1.297 7.477 1.00 1.51 O ATOM 223 CB ALA A 14 18.858 -0.612 6.217 1.00 1.62 C ATOM 0 H ALA A 14 19.113 -3.516 7.443 1.00 1.66 H new ATOM 0 HA ALA A 14 19.566 -0.806 8.257 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.351 0.337 6.391 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.853 -0.423 5.813 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.284 -1.204 5.505 1.00 1.62 H new ATOM 229 N PRO A 15 17.517 -2.079 9.346 1.00 1.57 N ATOM 230 CA PRO A 15 16.230 -2.296 10.026 1.00 1.51 C ATOM 231 C PRO A 15 15.617 -0.931 10.380 1.00 1.50 C ATOM 232 O PRO A 15 14.462 -0.831 10.743 1.00 1.44 O ATOM 233 CB PRO A 15 16.593 -3.081 11.310 1.00 1.54 C ATOM 234 CG PRO A 15 18.141 -3.224 11.352 1.00 1.62 C ATOM 235 CD PRO A 15 18.704 -2.457 10.139 1.00 1.64 C ATOM 0 HA PRO A 15 15.505 -2.835 9.416 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.233 -2.556 12.195 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.118 -4.062 11.306 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.539 -2.819 12.282 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.431 -4.274 11.312 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.266 -1.577 10.453 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.385 -3.080 9.559 1.00 1.64 H new ATOM 243 N ASP A 16 16.400 0.114 10.298 1.00 1.55 N ATOM 244 CA ASP A 16 15.883 1.474 10.655 1.00 1.55 C ATOM 245 C ASP A 16 15.203 2.127 9.448 1.00 1.52 C ATOM 246 O ASP A 16 14.102 2.643 9.545 1.00 1.48 O ATOM 247 CB ASP A 16 17.049 2.352 11.114 1.00 1.63 C ATOM 248 CG ASP A 16 17.857 1.612 12.182 1.00 1.65 C ATOM 249 OD1 ASP A 16 17.345 1.451 13.278 1.00 1.64 O ATOM 250 OD2 ASP A 16 18.973 1.220 11.886 1.00 1.68 O ATOM 0 H ASP A 16 17.375 0.087 10.000 1.00 1.55 H new ATOM 0 HA ASP A 16 15.151 1.372 11.456 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.688 2.599 10.266 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.673 3.293 11.515 1.00 1.63 H new ATOM 255 N LYS A 17 15.839 2.116 8.312 1.00 1.55 N ATOM 256 CA LYS A 17 15.209 2.741 7.121 1.00 1.54 C ATOM 257 C LYS A 17 13.962 1.944 6.766 1.00 1.46 C ATOM 258 O LYS A 17 12.987 2.480 6.290 1.00 1.42 O ATOM 259 CB LYS A 17 16.182 2.739 5.938 1.00 1.59 C ATOM 260 CG LYS A 17 17.386 3.629 6.262 1.00 1.67 C ATOM 261 CD LYS A 17 18.146 3.959 4.973 1.00 1.72 C ATOM 262 CE LYS A 17 19.459 4.671 5.316 1.00 1.80 C ATOM 263 NZ LYS A 17 19.954 5.404 4.116 1.00 1.80 N ATOM 0 H LYS A 17 16.760 1.705 8.158 1.00 1.55 H new ATOM 0 HA LYS A 17 14.947 3.775 7.344 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.514 1.722 5.729 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.680 3.101 5.041 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.052 4.548 6.744 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.046 3.122 6.965 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.351 3.045 4.416 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.534 4.593 4.331 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.304 5.366 6.141 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.203 3.946 5.645 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 20.845 5.888 4.348 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 20.117 4.730 3.341 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.246 6.106 3.821 1.00 1.80 H new ATOM 277 N LEU A 18 13.972 0.664 7.013 1.00 1.43 N ATOM 278 CA LEU A 18 12.767 -0.145 6.702 1.00 1.36 C ATOM 279 C LEU A 18 11.575 0.490 7.425 1.00 1.31 C ATOM 280 O LEU A 18 10.472 0.529 6.916 1.00 1.26 O ATOM 281 CB LEU A 18 12.981 -1.602 7.183 1.00 1.35 C ATOM 282 CG LEU A 18 13.347 -2.511 5.994 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.047 -3.776 6.503 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.075 -2.914 5.239 1.00 1.41 C ATOM 0 H LEU A 18 14.756 0.149 7.413 1.00 1.43 H new ATOM 0 HA LEU A 18 12.581 -0.166 5.628 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.774 -1.632 7.930 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.075 -1.970 7.665 1.00 1.35 H new ATOM 0 HG LEU A 18 14.014 -1.966 5.326 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.303 -4.415 5.658 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.956 -3.499 7.037 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.380 -4.315 7.176 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.339 -3.557 4.399 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.407 -3.452 5.912 1.00 1.41 H new ATOM 0 HD23 LEU A 18 11.573 -2.020 4.868 1.00 1.41 H new ATOM 296 N ASN A 19 11.798 1.001 8.604 1.00 1.33 N ATOM 297 CA ASN A 19 10.685 1.646 9.356 1.00 1.29 C ATOM 298 C ASN A 19 10.279 2.932 8.638 1.00 1.30 C ATOM 299 O ASN A 19 9.118 3.166 8.367 1.00 1.25 O ATOM 300 CB ASN A 19 11.148 1.976 10.777 1.00 1.32 C ATOM 301 CG ASN A 19 9.941 2.387 11.623 1.00 1.27 C ATOM 302 OD1 ASN A 19 8.995 1.637 11.757 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.935 3.555 12.204 1.00 1.22 N ATOM 0 H ASN A 19 12.701 1.000 9.079 1.00 1.33 H new ATOM 0 HA ASN A 19 9.833 0.967 9.406 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.639 1.110 11.221 1.00 1.32 H new ATOM 0 HB3 ASN A 19 11.881 2.782 10.754 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.136 3.839 12.771 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.729 4.185 12.091 1.00 1.22 H new ATOM 310 N VAL A 20 11.230 3.767 8.321 1.00 1.36 N ATOM 311 CA VAL A 20 10.898 5.038 7.614 1.00 1.38 C ATOM 312 C VAL A 20 10.418 4.727 6.190 1.00 1.34 C ATOM 313 O VAL A 20 9.562 5.405 5.647 1.00 1.32 O ATOM 314 CB VAL A 20 12.144 5.923 7.547 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.747 7.331 7.101 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.794 5.989 8.931 1.00 1.50 C ATOM 0 H VAL A 20 12.220 3.626 8.520 1.00 1.36 H new ATOM 0 HA VAL A 20 10.108 5.557 8.157 1.00 1.38 H new ATOM 0 HB VAL A 20 12.851 5.503 6.832 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.635 7.961 7.053 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.283 7.283 6.116 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.040 7.753 7.815 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.682 6.619 8.886 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.086 6.410 9.646 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.077 4.985 9.248 1.00 1.50 H new ATOM 326 N VAL A 21 10.958 3.709 5.575 1.00 1.33 N ATOM 327 CA VAL A 21 10.525 3.374 4.192 1.00 1.30 C ATOM 328 C VAL A 21 9.044 2.985 4.212 1.00 1.22 C ATOM 329 O VAL A 21 8.313 3.266 3.282 1.00 1.19 O ATOM 330 CB VAL A 21 11.382 2.230 3.638 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.780 1.722 2.324 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.810 2.740 3.374 1.00 1.38 C ATOM 0 H VAL A 21 11.675 3.100 5.969 1.00 1.33 H new ATOM 0 HA VAL A 21 10.656 4.240 3.543 1.00 1.30 H new ATOM 0 HB VAL A 21 11.408 1.418 4.365 1.00 1.30 H new ATOM 0 HG11 VAL A 21 11.392 0.909 1.934 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.768 1.360 2.504 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.751 2.535 1.599 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.420 1.927 2.980 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.778 3.553 2.649 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.245 3.101 4.306 1.00 1.38 H new ATOM 342 N LYS A 22 8.571 2.383 5.276 1.00 1.19 N ATOM 343 CA LYS A 22 7.134 2.050 5.329 1.00 1.12 C ATOM 344 C LYS A 22 6.413 3.384 5.413 1.00 1.12 C ATOM 345 O LYS A 22 5.462 3.616 4.727 1.00 1.09 O ATOM 346 CB LYS A 22 6.851 1.168 6.564 1.00 1.09 C ATOM 347 CG LYS A 22 5.357 1.239 6.998 1.00 1.03 C ATOM 348 CD LYS A 22 5.255 1.147 8.528 1.00 1.03 C ATOM 349 CE LYS A 22 5.752 2.460 9.173 1.00 1.09 C ATOM 350 NZ LYS A 22 6.734 2.137 10.247 1.00 1.14 N ATOM 0 H LYS A 22 9.118 2.115 6.094 1.00 1.19 H new ATOM 0 HA LYS A 22 6.799 1.485 4.459 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.115 0.134 6.340 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.485 1.487 7.391 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.912 2.171 6.650 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.796 0.426 6.537 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.222 0.957 8.821 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.848 0.307 8.890 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.215 3.097 8.419 1.00 1.09 H new ATOM 0 HE3 LYS A 22 4.911 3.017 9.588 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.611 2.798 11.040 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.577 1.164 10.580 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.700 2.223 9.871 1.00 1.14 H new ATOM 364 N LYS A 23 6.872 4.255 6.260 1.00 1.17 N ATOM 365 CA LYS A 23 6.221 5.591 6.394 1.00 1.18 C ATOM 366 C LYS A 23 6.179 6.292 5.030 1.00 1.20 C ATOM 367 O LYS A 23 5.386 7.188 4.805 1.00 1.20 O ATOM 368 CB LYS A 23 7.015 6.453 7.379 1.00 1.25 C ATOM 369 CG LYS A 23 6.977 5.814 8.768 1.00 1.23 C ATOM 370 CD LYS A 23 7.479 6.817 9.820 1.00 1.29 C ATOM 371 CE LYS A 23 6.490 7.988 9.975 1.00 1.36 C ATOM 372 NZ LYS A 23 6.547 8.495 11.375 1.00 1.39 N ATOM 0 H LYS A 23 7.674 4.102 6.871 1.00 1.17 H new ATOM 0 HA LYS A 23 5.204 5.454 6.762 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.047 6.552 7.041 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.595 7.458 7.419 1.00 1.25 H new ATOM 0 HG2 LYS A 23 5.960 5.502 9.007 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.597 4.918 8.783 1.00 1.23 H new ATOM 0 HD2 LYS A 23 7.606 6.313 10.778 1.00 1.29 H new ATOM 0 HD3 LYS A 23 8.458 7.198 9.528 1.00 1.29 H new ATOM 0 HE2 LYS A 23 6.740 8.786 9.276 1.00 1.36 H new ATOM 0 HE3 LYS A 23 5.479 7.660 9.735 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 5.881 9.286 11.485 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 6.289 7.731 12.032 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 7.511 8.822 11.587 1.00 1.39 H new ATOM 386 N THR A 24 7.014 5.893 4.109 1.00 1.22 N ATOM 387 CA THR A 24 6.996 6.548 2.765 1.00 1.24 C ATOM 388 C THR A 24 5.853 5.950 1.965 1.00 1.18 C ATOM 389 O THR A 24 5.103 6.639 1.300 1.00 1.18 O ATOM 390 CB THR A 24 8.329 6.308 2.049 1.00 1.30 C ATOM 391 OG1 THR A 24 9.359 7.017 2.723 1.00 1.36 O ATOM 392 CG2 THR A 24 8.237 6.795 0.602 1.00 1.31 C ATOM 0 H THR A 24 7.702 5.149 4.225 1.00 1.22 H new ATOM 0 HA THR A 24 6.855 7.624 2.869 1.00 1.24 H new ATOM 0 HB THR A 24 8.554 5.241 2.054 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.503 6.622 3.608 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.188 6.621 0.099 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.448 6.250 0.084 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.010 7.861 0.591 1.00 1.31 H new ATOM 400 N LEU A 25 5.681 4.675 2.070 1.00 1.13 N ATOM 401 CA LEU A 25 4.557 4.028 1.374 1.00 1.07 C ATOM 402 C LEU A 25 3.282 4.632 1.961 1.00 1.03 C ATOM 403 O LEU A 25 2.294 4.841 1.279 1.00 0.99 O ATOM 404 CB LEU A 25 4.635 2.528 1.654 1.00 1.03 C ATOM 405 CG LEU A 25 5.957 1.978 1.102 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.069 0.481 1.442 1.00 1.06 C ATOM 407 CD2 LEU A 25 6.030 2.197 -0.428 1.00 1.09 C ATOM 0 H LEU A 25 6.276 4.049 2.613 1.00 1.13 H new ATOM 0 HA LEU A 25 4.577 4.180 0.295 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.570 2.343 2.726 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.792 2.015 1.190 1.00 1.03 H new ATOM 0 HG LEU A 25 6.791 2.509 1.561 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.007 0.088 1.051 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.044 0.351 2.524 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.235 -0.058 0.992 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.973 1.803 -0.807 1.00 1.09 H new ATOM 0 HD22 LEU A 25 5.200 1.680 -0.910 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.969 3.263 -0.646 1.00 1.09 H new ATOM 419 N ILE A 26 3.324 4.955 3.232 1.00 1.04 N ATOM 420 CA ILE A 26 2.158 5.581 3.887 1.00 1.01 C ATOM 421 C ILE A 26 1.935 6.947 3.263 1.00 1.05 C ATOM 422 O ILE A 26 0.830 7.390 3.144 1.00 1.02 O ATOM 423 CB ILE A 26 2.433 5.754 5.385 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.597 4.373 6.028 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.257 6.486 6.037 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.931 4.488 7.526 1.00 1.01 C ATOM 0 H ILE A 26 4.129 4.806 3.840 1.00 1.04 H new ATOM 0 HA ILE A 26 1.278 4.951 3.756 1.00 1.01 H new ATOM 0 HB ILE A 26 3.344 6.335 5.528 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.679 3.799 5.901 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.389 3.824 5.518 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.451 6.610 7.102 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.136 7.465 5.574 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.345 5.905 5.899 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.041 3.491 7.952 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.863 5.040 7.650 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.126 5.015 8.039 1.00 1.01 H new ATOM 438 N THR A 27 2.981 7.625 2.880 1.00 1.11 N ATOM 439 CA THR A 27 2.809 8.979 2.276 1.00 1.15 C ATOM 440 C THR A 27 2.075 8.878 0.925 1.00 1.12 C ATOM 441 O THR A 27 1.248 9.706 0.600 1.00 1.12 O ATOM 442 CB THR A 27 4.188 9.625 2.077 1.00 1.23 C ATOM 443 OG1 THR A 27 4.745 9.935 3.346 1.00 1.27 O ATOM 444 CG2 THR A 27 4.050 10.909 1.256 1.00 1.27 C ATOM 0 H THR A 27 3.946 7.303 2.958 1.00 1.11 H new ATOM 0 HA THR A 27 2.210 9.595 2.947 1.00 1.15 H new ATOM 0 HB THR A 27 4.838 8.930 1.546 1.00 1.23 H new ATOM 0 HG1 THR A 27 4.968 9.105 3.817 1.00 1.27 H new ATOM 0 HG21 THR A 27 5.032 11.361 1.119 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.620 10.674 0.282 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.399 11.608 1.781 1.00 1.27 H new ATOM 452 N PHE A 28 2.362 7.876 0.139 1.00 1.10 N ATOM 453 CA PHE A 28 1.672 7.744 -1.185 1.00 1.07 C ATOM 454 C PHE A 28 0.170 7.548 -0.935 1.00 1.01 C ATOM 455 O PHE A 28 -0.675 8.214 -1.526 1.00 1.02 O ATOM 456 CB PHE A 28 2.290 6.554 -1.969 1.00 1.05 C ATOM 457 CG PHE A 28 1.275 5.909 -2.894 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.755 6.631 -3.974 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.840 4.597 -2.656 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.200 6.045 -4.810 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.110 4.010 -3.498 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.633 4.735 -4.574 1.00 1.00 C ATOM 0 H PHE A 28 3.040 7.144 0.351 1.00 1.10 H new ATOM 0 HA PHE A 28 1.806 8.642 -1.788 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.143 6.904 -2.551 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.667 5.811 -1.266 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.091 7.640 -4.162 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.239 4.039 -1.822 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.605 6.605 -5.640 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.440 2.997 -3.318 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.370 4.284 -5.222 1.00 1.00 H new ATOM 472 N VAL A 29 -0.179 6.659 -0.050 1.00 0.97 N ATOM 473 CA VAL A 29 -1.621 6.458 0.237 1.00 0.92 C ATOM 474 C VAL A 29 -2.180 7.753 0.833 1.00 0.95 C ATOM 475 O VAL A 29 -3.205 8.242 0.414 1.00 0.94 O ATOM 476 CB VAL A 29 -1.802 5.309 1.233 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.286 4.928 1.324 1.00 0.81 C ATOM 478 CG2 VAL A 29 -0.991 4.097 0.765 1.00 0.85 C ATOM 0 H VAL A 29 0.464 6.070 0.480 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.151 6.207 -0.682 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.452 5.626 2.216 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.409 4.110 2.034 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.863 5.790 1.660 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.642 4.613 0.343 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.119 3.278 1.473 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.340 3.784 -0.219 1.00 0.85 H new ATOM 0 HG23 VAL A 29 0.064 4.365 0.707 1.00 0.85 H new ATOM 488 N ASN A 30 -1.493 8.315 1.799 1.00 0.99 N ATOM 489 CA ASN A 30 -1.954 9.584 2.437 1.00 1.03 C ATOM 490 C ASN A 30 -2.169 10.636 1.359 1.00 1.06 C ATOM 491 O ASN A 30 -2.838 11.611 1.559 1.00 1.09 O ATOM 492 CB ASN A 30 -0.881 10.089 3.417 1.00 1.08 C ATOM 493 CG ASN A 30 -1.531 10.835 4.579 1.00 1.08 C ATOM 494 OD1 ASN A 30 -2.154 10.145 5.487 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.471 12.045 4.659 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.622 7.942 2.175 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.885 9.401 2.974 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.300 9.248 3.796 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.186 10.748 2.897 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -0.980 12.580 3.942 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.911 12.527 5.443 1.00 1.06 H new ATOM 502 N LYS A 31 -1.586 10.444 0.225 1.00 1.07 N ATOM 503 CA LYS A 31 -1.730 11.437 -0.860 1.00 1.11 C ATOM 504 C LYS A 31 -3.101 11.278 -1.475 1.00 1.06 C ATOM 505 O LYS A 31 -3.883 12.214 -1.532 1.00 1.08 O ATOM 506 CB LYS A 31 -0.653 11.208 -1.925 1.00 1.13 C ATOM 507 CG LYS A 31 -0.573 12.434 -2.839 1.00 1.18 C ATOM 508 CD LYS A 31 0.501 12.214 -3.913 1.00 1.19 C ATOM 509 CE LYS A 31 1.894 12.145 -3.271 1.00 1.23 C ATOM 510 NZ LYS A 31 2.920 12.537 -4.278 1.00 1.29 N ATOM 0 H LYS A 31 -1.009 9.634 -0.002 1.00 1.07 H new ATOM 0 HA LYS A 31 -1.614 12.444 -0.460 1.00 1.11 H new ATOM 0 HB2 LYS A 31 0.312 11.031 -1.450 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -0.888 10.319 -2.510 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -1.540 12.611 -3.310 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.337 13.322 -2.252 1.00 1.18 H new ATOM 0 HD2 LYS A 31 0.298 11.291 -4.456 1.00 1.19 H new ATOM 0 HD3 LYS A 31 0.469 13.025 -4.640 1.00 1.19 H new ATOM 0 HE2 LYS A 31 1.943 12.809 -2.408 1.00 1.23 H new ATOM 0 HE3 LYS A 31 2.090 11.136 -2.908 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 3.865 12.491 -3.846 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 2.878 11.886 -5.088 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 2.734 13.507 -4.603 1.00 1.29 H new ATOM 524 N HIS A 32 -3.432 10.100 -1.921 1.00 1.01 N ATOM 525 CA HIS A 32 -4.733 9.911 -2.498 1.00 0.97 C ATOM 526 C HIS A 32 -5.744 9.946 -1.356 1.00 0.95 C ATOM 527 O HIS A 32 -6.890 10.249 -1.543 1.00 0.95 O ATOM 528 CB HIS A 32 -4.708 8.560 -3.221 1.00 0.91 C ATOM 529 CG HIS A 32 -4.709 8.770 -4.712 1.00 0.93 C ATOM 530 ND1 HIS A 32 -3.859 8.074 -5.557 1.00 0.89 N ATOM 531 CD2 HIS A 32 -5.418 9.626 -5.514 1.00 0.98 C ATOM 532 CE1 HIS A 32 -4.074 8.525 -6.805 1.00 0.93 C ATOM 533 NE2 HIS A 32 -5.014 9.471 -6.834 1.00 0.98 N ATOM 0 H HIS A 32 -2.835 9.273 -1.898 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.009 10.682 -3.218 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -3.822 7.997 -2.926 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.574 7.967 -2.929 1.00 0.91 H new ATOM 0 HD1 HIS A 32 -3.193 7.352 -5.282 1.00 0.89 H new ATOM 0 HD2 HIS A 32 -6.175 10.316 -5.172 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -3.550 8.165 -7.678 1.00 0.93 H new ATOM 541 N LEU A 33 -5.311 9.679 -0.158 1.00 0.95 N ATOM 542 CA LEU A 33 -6.253 9.737 0.989 1.00 0.94 C ATOM 543 C LEU A 33 -6.351 11.199 1.431 1.00 1.01 C ATOM 544 O LEU A 33 -7.425 11.702 1.696 1.00 1.02 O ATOM 545 CB LEU A 33 -5.724 8.854 2.133 1.00 0.92 C ATOM 546 CG LEU A 33 -6.298 7.423 2.056 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.663 6.564 3.163 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.836 7.441 2.231 1.00 0.84 C ATOM 0 H LEU A 33 -4.351 9.425 0.075 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.239 9.367 0.708 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.636 8.813 2.089 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -5.988 9.302 3.091 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.066 7.002 1.078 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.065 5.552 3.114 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.582 6.533 3.024 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.892 6.998 4.136 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.221 6.423 2.174 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.087 7.869 3.201 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.285 8.044 1.441 1.00 0.84 H new ATOM 560 N ASN A 34 -5.243 11.897 1.504 1.00 1.05 N ATOM 561 CA ASN A 34 -5.319 13.327 1.919 1.00 1.12 C ATOM 562 C ASN A 34 -6.217 14.100 0.944 1.00 1.14 C ATOM 563 O ASN A 34 -6.747 15.138 1.285 1.00 1.18 O ATOM 564 CB ASN A 34 -3.922 13.962 1.936 1.00 1.18 C ATOM 565 CG ASN A 34 -4.042 15.469 2.175 1.00 1.25 C ATOM 566 OD1 ASN A 34 -5.009 15.929 2.750 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.095 16.262 1.755 1.00 1.29 N ATOM 0 H ASN A 34 -4.308 11.545 1.298 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.738 13.373 2.924 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.315 13.507 2.719 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.415 13.774 0.990 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.166 17.268 1.909 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -2.283 15.876 1.272 1.00 1.29 H new ATOM 574 N LYS A 35 -6.404 13.626 -0.268 1.00 1.11 N ATOM 575 CA LYS A 35 -7.281 14.396 -1.205 1.00 1.13 C ATOM 576 C LYS A 35 -8.623 14.645 -0.505 1.00 1.11 C ATOM 577 O LYS A 35 -8.994 15.771 -0.239 1.00 1.16 O ATOM 578 CB LYS A 35 -7.483 13.586 -2.509 1.00 1.10 C ATOM 579 CG LYS A 35 -7.114 14.439 -3.739 1.00 0.97 C ATOM 580 CD LYS A 35 -5.582 14.551 -3.860 1.00 1.01 C ATOM 581 CE LYS A 35 -5.010 13.311 -4.568 1.00 1.10 C ATOM 582 NZ LYS A 35 -4.894 13.585 -6.028 1.00 1.15 N ATOM 0 H LYS A 35 -6.000 12.766 -0.639 1.00 1.11 H new ATOM 0 HA LYS A 35 -6.824 15.350 -1.467 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -6.867 12.687 -2.485 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -8.520 13.259 -2.584 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -7.527 13.989 -4.642 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -7.554 15.432 -3.649 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -5.319 15.450 -4.418 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -5.138 14.649 -2.869 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.033 13.061 -4.155 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -5.657 12.451 -4.398 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.507 12.748 -6.509 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -5.834 13.804 -6.416 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -4.260 14.395 -6.180 1.00 1.15 H new ATOM 596 N LEU A 36 -9.332 13.603 -0.168 1.00 1.04 N ATOM 597 CA LEU A 36 -10.621 13.798 0.557 1.00 1.02 C ATOM 598 C LEU A 36 -10.272 14.222 1.988 1.00 1.05 C ATOM 599 O LEU A 36 -11.118 14.461 2.819 1.00 1.03 O ATOM 600 CB LEU A 36 -11.411 12.483 0.547 1.00 0.95 C ATOM 601 CG LEU A 36 -12.670 12.580 1.423 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.478 13.832 1.054 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.530 11.334 1.191 1.00 0.89 C ATOM 0 H LEU A 36 -9.079 12.634 -0.360 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.240 14.561 0.084 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.695 12.235 -0.476 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.777 11.673 0.907 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.377 12.646 2.471 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.367 13.889 1.682 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -12.865 14.720 1.211 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.776 13.777 0.007 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.427 11.391 1.808 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.815 11.279 0.140 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.961 10.444 1.460 1.00 0.89 H new ATOM 615 N ASN A 37 -9.001 14.339 2.251 1.00 1.11 N ATOM 616 CA ASN A 37 -8.511 14.765 3.583 1.00 1.16 C ATOM 617 C ASN A 37 -8.775 13.687 4.643 1.00 1.11 C ATOM 618 O ASN A 37 -9.732 13.702 5.387 1.00 1.12 O ATOM 619 CB ASN A 37 -9.111 16.143 3.923 1.00 1.22 C ATOM 620 CG ASN A 37 -10.359 16.059 4.815 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.473 16.155 4.339 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.216 15.912 6.104 1.00 1.21 N ATOM 0 H ASN A 37 -8.262 14.150 1.574 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.427 14.881 3.568 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.355 16.747 4.424 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.368 16.658 2.997 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.037 15.878 6.708 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -9.283 15.831 6.508 1.00 1.21 H new ATOM 629 N LEU A 38 -7.877 12.746 4.711 1.00 1.06 N ATOM 630 CA LEU A 38 -7.980 11.643 5.722 1.00 1.02 C ATOM 631 C LEU A 38 -6.604 11.483 6.376 1.00 1.02 C ATOM 632 O LEU A 38 -5.822 12.412 6.410 1.00 1.06 O ATOM 633 CB LEU A 38 -8.403 10.322 5.048 1.00 0.98 C ATOM 634 CG LEU A 38 -9.919 10.335 4.699 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.131 10.799 3.256 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.505 8.922 4.846 1.00 1.02 C ATOM 0 H LEU A 38 -7.061 12.688 4.102 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.735 11.889 6.468 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.819 10.169 4.141 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.186 9.485 5.712 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.418 11.021 5.383 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.197 10.802 3.028 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.731 11.806 3.135 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.617 10.120 2.576 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.567 8.941 4.600 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -9.988 8.241 4.170 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.377 8.580 5.873 1.00 1.02 H new ATOM 648 N GLU A 39 -6.295 10.333 6.902 1.00 1.02 N ATOM 649 CA GLU A 39 -4.964 10.162 7.551 1.00 1.03 C ATOM 650 C GLU A 39 -4.679 8.680 7.812 1.00 0.98 C ATOM 651 O GLU A 39 -5.360 8.035 8.585 1.00 0.95 O ATOM 652 CB GLU A 39 -4.953 10.920 8.880 1.00 1.08 C ATOM 653 CG GLU A 39 -3.598 10.732 9.566 1.00 1.11 C ATOM 654 CD GLU A 39 -3.479 11.715 10.732 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.528 12.908 10.483 1.00 1.13 O ATOM 656 OE2 GLU A 39 -3.340 11.258 11.855 1.00 1.24 O ATOM 0 H GLU A 39 -6.898 9.510 6.912 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.194 10.555 6.887 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.141 11.980 8.708 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.752 10.555 9.525 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -3.500 9.708 9.927 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.791 10.897 8.853 1.00 1.11 H new ATOM 663 N VAL A 40 -3.664 8.141 7.179 1.00 0.98 N ATOM 664 CA VAL A 40 -3.302 6.701 7.388 1.00 0.94 C ATOM 665 C VAL A 40 -2.002 6.633 8.203 1.00 0.95 C ATOM 666 O VAL A 40 -1.245 7.582 8.248 1.00 0.99 O ATOM 667 CB VAL A 40 -3.099 6.038 6.020 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.172 6.909 5.149 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.491 4.641 6.213 1.00 0.89 C ATOM 0 H VAL A 40 -3.066 8.641 6.521 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.095 6.181 7.926 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.061 5.941 5.517 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.031 6.433 4.179 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.622 7.892 5.009 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.206 7.019 5.643 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.347 4.170 5.241 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.530 4.729 6.720 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.164 4.031 6.816 1.00 0.89 H new ATOM 679 N THR A 41 -1.736 5.527 8.860 1.00 0.93 N ATOM 680 CA THR A 41 -0.481 5.428 9.681 1.00 0.95 C ATOM 681 C THR A 41 0.076 3.997 9.684 1.00 0.91 C ATOM 682 O THR A 41 1.145 3.759 10.210 1.00 0.96 O ATOM 683 CB THR A 41 -0.799 5.816 11.135 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.910 6.701 11.154 1.00 1.12 O ATOM 685 CG2 THR A 41 0.411 6.501 11.783 1.00 1.20 C ATOM 0 H THR A 41 -2.326 4.695 8.865 1.00 0.93 H new ATOM 0 HA THR A 41 0.260 6.097 9.244 1.00 0.95 H new ATOM 0 HB THR A 41 -1.035 4.913 11.698 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.115 6.948 12.080 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.170 6.769 12.812 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.262 5.820 11.776 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.663 7.401 11.223 1.00 1.20 H new ATOM 693 N GLU A 42 -0.638 3.042 9.148 1.00 0.86 N ATOM 694 CA GLU A 42 -0.138 1.631 9.172 1.00 0.83 C ATOM 695 C GLU A 42 -0.291 0.996 7.792 1.00 0.81 C ATOM 696 O GLU A 42 -1.225 0.268 7.533 1.00 0.88 O ATOM 697 CB GLU A 42 -0.954 0.850 10.201 1.00 0.78 C ATOM 698 CG GLU A 42 -0.323 -0.527 10.430 1.00 0.77 C ATOM 699 CD GLU A 42 0.924 -0.378 11.305 1.00 0.78 C ATOM 700 OE1 GLU A 42 1.985 -0.137 10.753 1.00 0.83 O ATOM 701 OE2 GLU A 42 0.796 -0.508 12.511 1.00 0.84 O ATOM 0 H GLU A 42 -1.543 3.175 8.696 1.00 0.86 H new ATOM 0 HA GLU A 42 0.918 1.614 9.441 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -0.995 1.402 11.140 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -1.981 0.736 9.853 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -1.040 -1.192 10.911 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.058 -0.981 9.475 1.00 0.77 H new ATOM 708 N LEU A 43 0.636 1.247 6.910 1.00 0.80 N ATOM 709 CA LEU A 43 0.555 0.644 5.553 1.00 0.78 C ATOM 710 C LEU A 43 0.376 -0.866 5.701 1.00 0.74 C ATOM 711 O LEU A 43 -0.424 -1.489 5.029 1.00 0.70 O ATOM 712 CB LEU A 43 1.861 0.962 4.799 1.00 0.86 C ATOM 713 CG LEU A 43 1.940 0.230 3.445 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.243 -1.279 3.619 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.623 0.429 2.683 1.00 0.90 C ATOM 0 H LEU A 43 1.447 1.845 7.072 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.289 1.049 4.994 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.932 2.037 4.634 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.714 0.677 5.415 1.00 0.86 H new ATOM 0 HG LEU A 43 2.765 0.657 2.874 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.290 -1.756 2.640 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.199 -1.402 4.129 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.454 -1.743 4.211 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.676 -0.088 1.725 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.201 0.023 3.269 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.458 1.493 2.513 1.00 0.90 H new ATOM 727 N GLU A 44 1.140 -1.466 6.561 1.00 0.79 N ATOM 728 CA GLU A 44 1.044 -2.945 6.736 1.00 0.77 C ATOM 729 C GLU A 44 -0.421 -3.410 6.914 1.00 0.69 C ATOM 730 O GLU A 44 -0.959 -4.178 6.128 1.00 0.70 O ATOM 731 CB GLU A 44 1.862 -3.359 7.983 1.00 0.83 C ATOM 732 CG GLU A 44 2.762 -2.210 8.428 1.00 0.84 C ATOM 733 CD GLU A 44 3.658 -2.670 9.579 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.290 -3.622 10.247 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.698 -2.063 9.773 1.00 1.11 O ATOM 0 H GLU A 44 1.829 -1.001 7.153 1.00 0.79 H new ATOM 0 HA GLU A 44 1.440 -3.418 5.837 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.188 -3.637 8.793 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.467 -4.237 7.755 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.374 -1.870 7.592 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.155 -1.362 8.744 1.00 0.84 H new ATOM 742 N THR A 45 -1.059 -2.981 7.960 1.00 0.65 N ATOM 743 CA THR A 45 -2.459 -3.441 8.212 1.00 0.60 C ATOM 744 C THR A 45 -3.461 -2.677 7.339 1.00 0.58 C ATOM 745 O THR A 45 -4.652 -2.902 7.420 1.00 0.58 O ATOM 746 CB THR A 45 -2.790 -3.290 9.716 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.619 -4.371 10.116 1.00 0.84 O ATOM 748 CG2 THR A 45 -3.514 -1.968 10.012 1.00 0.64 C ATOM 0 H THR A 45 -0.680 -2.335 8.652 1.00 0.65 H new ATOM 0 HA THR A 45 -2.539 -4.493 7.940 1.00 0.60 H new ATOM 0 HB THR A 45 -1.852 -3.292 10.271 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.833 -4.284 11.068 1.00 0.84 H new ATOM 0 HG21 THR A 45 -3.728 -1.901 11.079 1.00 0.64 H new ATOM 0 HG22 THR A 45 -2.880 -1.132 9.716 1.00 0.64 H new ATOM 0 HG23 THR A 45 -4.448 -1.931 9.451 1.00 0.64 H new ATOM 756 N GLN A 46 -3.007 -1.792 6.498 1.00 0.59 N ATOM 757 CA GLN A 46 -3.963 -1.060 5.644 1.00 0.59 C ATOM 758 C GLN A 46 -4.477 -2.028 4.599 1.00 0.54 C ATOM 759 O GLN A 46 -5.540 -1.849 4.038 1.00 0.58 O ATOM 760 CB GLN A 46 -3.276 0.137 4.979 1.00 0.65 C ATOM 761 CG GLN A 46 -3.245 1.330 5.964 1.00 0.66 C ATOM 762 CD GLN A 46 -4.393 2.301 5.664 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.599 2.686 4.530 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.150 2.716 6.641 1.00 1.04 N ATOM 0 H GLN A 46 -2.025 -1.550 6.370 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.790 -0.673 6.240 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.261 -0.131 4.684 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.809 0.416 4.070 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.326 0.966 6.988 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.290 1.850 5.885 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -4.977 2.393 7.593 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -5.915 3.364 6.453 1.00 1.04 H new ATOM 773 N PHE A 47 -3.740 -3.084 4.354 1.00 0.50 N ATOM 774 CA PHE A 47 -4.192 -4.089 3.380 1.00 0.49 C ATOM 775 C PHE A 47 -4.881 -5.176 4.169 1.00 0.46 C ATOM 776 O PHE A 47 -5.637 -5.967 3.646 1.00 0.49 O ATOM 777 CB PHE A 47 -2.997 -4.656 2.632 1.00 0.54 C ATOM 778 CG PHE A 47 -2.587 -3.703 1.530 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.078 -2.441 1.855 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.709 -4.081 0.187 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.693 -1.559 0.838 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.320 -3.202 -0.827 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.813 -1.940 -0.502 1.00 0.89 C ATOM 0 H PHE A 47 -2.842 -3.282 4.796 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.869 -3.654 2.645 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.166 -4.812 3.320 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.248 -5.629 2.210 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.982 -2.147 2.890 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.105 -5.054 -0.065 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.303 -0.584 1.089 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.411 -3.497 -1.862 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.514 -1.260 -1.286 1.00 0.89 H new ATOM 793 N ALA A 48 -4.657 -5.175 5.449 1.00 0.42 N ATOM 794 CA ALA A 48 -5.332 -6.172 6.325 1.00 0.40 C ATOM 795 C ALA A 48 -6.794 -5.793 6.399 1.00 0.36 C ATOM 796 O ALA A 48 -7.473 -6.023 7.380 1.00 0.36 O ATOM 797 CB ALA A 48 -4.718 -6.155 7.725 1.00 0.42 C ATOM 0 H ALA A 48 -4.034 -4.526 5.930 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.211 -7.176 5.919 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.223 -6.889 8.353 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.658 -6.400 7.660 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.835 -5.163 8.162 1.00 0.42 H new ATOM 803 N ASP A 49 -7.269 -5.195 5.351 1.00 0.34 N ATOM 804 CA ASP A 49 -8.684 -4.758 5.312 1.00 0.32 C ATOM 805 C ASP A 49 -9.044 -4.296 3.896 1.00 0.31 C ATOM 806 O ASP A 49 -10.198 -4.242 3.526 1.00 0.31 O ATOM 807 CB ASP A 49 -8.849 -3.608 6.299 1.00 0.32 C ATOM 808 CG ASP A 49 -8.030 -2.404 5.830 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.409 -1.800 4.845 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.033 -2.108 6.468 1.00 0.36 O ATOM 0 H ASP A 49 -6.731 -4.988 4.510 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.346 -5.581 5.583 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.901 -3.335 6.381 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.522 -3.918 7.291 1.00 0.32 H new ATOM 815 N GLY A 50 -8.063 -3.977 3.098 1.00 0.32 N ATOM 816 CA GLY A 50 -8.350 -3.529 1.695 1.00 0.33 C ATOM 817 C GLY A 50 -9.369 -2.373 1.685 1.00 0.33 C ATOM 818 O GLY A 50 -9.877 -1.976 0.646 1.00 0.34 O ATOM 0 H GLY A 50 -7.075 -4.005 3.351 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.425 -3.208 1.215 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.737 -4.366 1.114 1.00 0.33 H new ATOM 822 N VAL A 51 -9.666 -1.815 2.819 1.00 0.33 N ATOM 823 CA VAL A 51 -10.630 -0.682 2.847 1.00 0.36 C ATOM 824 C VAL A 51 -9.950 0.542 2.254 1.00 0.40 C ATOM 825 O VAL A 51 -10.377 1.093 1.258 1.00 0.42 O ATOM 826 CB VAL A 51 -10.992 -0.364 4.289 1.00 0.37 C ATOM 827 CG1 VAL A 51 -11.909 0.861 4.332 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.704 -1.560 4.929 1.00 0.36 C ATOM 0 H VAL A 51 -9.287 -2.090 3.725 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.525 -0.946 2.283 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.078 -0.154 4.845 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.167 1.086 5.367 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.395 1.716 3.892 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.819 0.654 3.768 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -11.959 -1.322 5.962 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.615 -1.782 4.372 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.046 -2.429 4.909 1.00 0.36 H new ATOM 838 N TYR A 52 -8.880 0.963 2.864 1.00 0.41 N ATOM 839 CA TYR A 52 -8.153 2.143 2.349 1.00 0.47 C ATOM 840 C TYR A 52 -7.814 1.904 0.884 1.00 0.47 C ATOM 841 O TYR A 52 -7.473 2.816 0.158 1.00 0.51 O ATOM 842 CB TYR A 52 -6.868 2.342 3.153 1.00 0.49 C ATOM 843 CG TYR A 52 -7.219 2.567 4.603 1.00 0.51 C ATOM 844 CD1 TYR A 52 -7.504 3.859 5.061 1.00 0.57 C ATOM 845 CD2 TYR A 52 -7.266 1.484 5.489 1.00 0.48 C ATOM 846 CE1 TYR A 52 -7.834 4.068 6.405 1.00 0.60 C ATOM 847 CE2 TYR A 52 -7.596 1.693 6.834 1.00 0.51 C ATOM 848 CZ TYR A 52 -7.880 2.985 7.292 1.00 0.57 C ATOM 849 OH TYR A 52 -8.204 3.191 8.617 1.00 0.60 O ATOM 0 H TYR A 52 -8.480 0.536 3.700 1.00 0.41 H new ATOM 0 HA TYR A 52 -8.771 3.036 2.444 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.224 1.468 3.054 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.311 3.195 2.765 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.469 4.694 4.377 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -7.048 0.487 5.135 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -8.053 5.065 6.758 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -7.631 0.858 7.518 1.00 0.51 H new ATOM 0 HH TYR A 52 -8.191 2.335 9.094 1.00 0.60 H new ATOM 859 N LEU A 53 -7.917 0.681 0.433 1.00 0.43 N ATOM 860 CA LEU A 53 -7.597 0.413 -1.003 1.00 0.44 C ATOM 861 C LEU A 53 -8.728 0.953 -1.868 1.00 0.45 C ATOM 862 O LEU A 53 -8.515 1.818 -2.694 1.00 0.50 O ATOM 863 CB LEU A 53 -7.415 -1.091 -1.279 1.00 0.41 C ATOM 864 CG LEU A 53 -6.043 -1.581 -0.776 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.919 -3.107 -1.002 1.00 0.44 C ATOM 866 CD2 LEU A 53 -4.905 -0.843 -1.526 1.00 0.46 C ATOM 0 H LEU A 53 -8.203 -0.130 0.982 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.657 0.910 -1.242 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -8.209 -1.654 -0.788 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.504 -1.282 -2.348 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.959 -1.367 0.289 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.948 -3.450 -0.645 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -6.709 -3.621 -0.455 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -6.013 -3.326 -2.066 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -3.940 -1.197 -1.163 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -4.985 -1.041 -2.595 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -4.988 0.229 -1.349 1.00 0.46 H new ATOM 878 N VAL A 54 -9.934 0.469 -1.706 1.00 0.43 N ATOM 879 CA VAL A 54 -11.026 1.013 -2.562 1.00 0.46 C ATOM 880 C VAL A 54 -11.028 2.544 -2.467 1.00 0.51 C ATOM 881 O VAL A 54 -11.336 3.236 -3.422 1.00 0.55 O ATOM 882 CB VAL A 54 -12.375 0.462 -2.104 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.453 0.829 -3.133 1.00 0.49 C ATOM 884 CG2 VAL A 54 -12.279 -1.064 -1.982 1.00 0.41 C ATOM 0 H VAL A 54 -10.203 -0.256 -1.040 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.858 0.712 -3.596 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.639 0.891 -1.137 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.416 0.436 -2.807 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.515 1.913 -3.224 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -13.194 0.398 -4.100 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -13.239 -1.464 -1.655 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -12.019 -1.491 -2.951 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.511 -1.323 -1.253 1.00 0.41 H new ATOM 894 N LEU A 55 -10.671 3.085 -1.333 1.00 0.52 N ATOM 895 CA LEU A 55 -10.648 4.570 -1.207 1.00 0.58 C ATOM 896 C LEU A 55 -9.614 5.124 -2.195 1.00 0.62 C ATOM 897 O LEU A 55 -9.924 5.944 -3.022 1.00 0.66 O ATOM 898 CB LEU A 55 -10.262 4.963 0.231 1.00 0.59 C ATOM 899 CG LEU A 55 -11.510 5.042 1.138 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.330 6.310 0.831 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.389 3.796 0.940 1.00 0.67 C ATOM 0 H LEU A 55 -10.397 2.569 -0.497 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.633 4.981 -1.429 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.560 4.233 0.635 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.752 5.926 0.224 1.00 0.59 H new ATOM 0 HG LEU A 55 -11.175 5.086 2.174 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -13.204 6.345 1.482 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.714 7.192 1.004 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -12.653 6.291 -0.210 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.266 3.863 1.584 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.707 3.737 -0.101 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -11.818 2.903 1.196 1.00 0.67 H new ATOM 913 N LEU A 56 -8.393 4.653 -2.122 1.00 0.62 N ATOM 914 CA LEU A 56 -7.317 5.119 -3.058 1.00 0.66 C ATOM 915 C LEU A 56 -7.910 5.238 -4.461 1.00 0.67 C ATOM 916 O LEU A 56 -7.870 6.277 -5.092 1.00 0.72 O ATOM 917 CB LEU A 56 -6.212 4.038 -3.052 1.00 0.65 C ATOM 918 CG LEU A 56 -4.863 4.533 -3.627 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.062 5.431 -4.853 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.074 5.286 -2.550 1.00 0.66 C ATOM 0 H LEU A 56 -8.090 3.954 -1.443 1.00 0.62 H new ATOM 0 HA LEU A 56 -6.912 6.085 -2.757 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -6.058 3.693 -2.030 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.552 3.179 -3.631 1.00 0.65 H new ATOM 0 HG LEU A 56 -4.299 3.656 -3.945 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.091 5.757 -5.226 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.582 4.873 -5.632 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -5.655 6.302 -4.574 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.127 5.629 -2.966 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -4.653 6.144 -2.208 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -3.881 4.621 -1.709 1.00 0.66 H new ATOM 932 N MET A 57 -8.467 4.168 -4.933 1.00 0.62 N ATOM 933 CA MET A 57 -9.078 4.167 -6.294 1.00 0.63 C ATOM 934 C MET A 57 -10.099 5.301 -6.410 1.00 0.68 C ATOM 935 O MET A 57 -10.315 5.847 -7.472 1.00 0.72 O ATOM 936 CB MET A 57 -9.777 2.826 -6.534 1.00 0.58 C ATOM 937 CG MET A 57 -8.778 1.687 -6.328 1.00 0.55 C ATOM 938 SD MET A 57 -9.632 0.098 -6.476 1.00 0.60 S ATOM 939 CE MET A 57 -8.192 -0.889 -6.950 1.00 0.57 C ATOM 0 H MET A 57 -8.529 3.281 -4.434 1.00 0.62 H new ATOM 0 HA MET A 57 -8.296 4.314 -7.039 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.618 2.715 -5.850 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.182 2.791 -7.545 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.979 1.752 -7.067 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.312 1.771 -5.346 1.00 0.55 H new ATOM 0 HE1 MET A 57 -8.418 -1.947 -6.821 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.946 -0.695 -7.994 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.343 -0.620 -6.321 1.00 0.57 H new ATOM 949 N GLY A 58 -10.742 5.647 -5.331 1.00 0.67 N ATOM 950 CA GLY A 58 -11.762 6.734 -5.389 1.00 0.73 C ATOM 951 C GLY A 58 -11.103 8.110 -5.462 1.00 0.79 C ATOM 952 O GLY A 58 -11.331 8.868 -6.383 1.00 0.84 O ATOM 0 H GLY A 58 -10.607 5.226 -4.412 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.402 6.589 -6.259 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.403 6.682 -4.509 1.00 0.73 H new ATOM 956 N LEU A 59 -10.300 8.447 -4.499 1.00 0.79 N ATOM 957 CA LEU A 59 -9.647 9.778 -4.517 1.00 0.86 C ATOM 958 C LEU A 59 -8.887 9.906 -5.836 1.00 0.88 C ATOM 959 O LEU A 59 -8.539 10.987 -6.268 1.00 0.94 O ATOM 960 CB LEU A 59 -8.711 9.942 -3.292 1.00 0.86 C ATOM 961 CG LEU A 59 -9.493 9.916 -1.917 1.00 0.82 C ATOM 962 CD1 LEU A 59 -11.010 10.139 -2.062 1.00 0.82 C ATOM 963 CD2 LEU A 59 -9.277 8.582 -1.195 1.00 0.87 C ATOM 0 H LEU A 59 -10.067 7.858 -3.699 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.389 10.573 -4.448 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -7.969 9.144 -3.298 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.168 10.883 -3.378 1.00 0.86 H new ATOM 0 HG LEU A 59 -9.084 10.746 -1.341 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.478 10.108 -1.078 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -11.193 11.111 -2.520 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -11.434 9.356 -2.691 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -9.824 8.586 -0.252 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -9.639 7.767 -1.821 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -8.214 8.443 -0.998 1.00 0.87 H new ATOM 975 N LEU A 60 -8.669 8.803 -6.499 1.00 0.84 N ATOM 976 CA LEU A 60 -7.979 8.842 -7.819 1.00 0.87 C ATOM 977 C LEU A 60 -9.014 9.257 -8.864 1.00 0.91 C ATOM 978 O LEU A 60 -8.810 10.177 -9.631 1.00 0.96 O ATOM 979 CB LEU A 60 -7.415 7.444 -8.135 1.00 0.82 C ATOM 980 CG LEU A 60 -6.885 7.350 -9.587 1.00 0.87 C ATOM 981 CD1 LEU A 60 -8.040 7.238 -10.615 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.014 8.575 -9.905 1.00 0.91 C ATOM 0 H LEU A 60 -8.941 7.873 -6.181 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.151 9.551 -7.816 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.609 7.212 -7.439 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.193 6.696 -7.983 1.00 0.82 H new ATOM 0 HG LEU A 60 -6.285 6.444 -9.665 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -7.626 7.174 -11.621 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -8.627 6.344 -10.407 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -8.680 8.117 -10.541 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -5.644 8.503 -10.928 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -6.609 9.482 -9.797 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -5.170 8.610 -9.216 1.00 0.91 H new ATOM 994 N GLU A 61 -10.137 8.595 -8.884 1.00 0.87 N ATOM 995 CA GLU A 61 -11.196 8.958 -9.863 1.00 0.91 C ATOM 996 C GLU A 61 -11.755 10.335 -9.502 1.00 0.96 C ATOM 997 O GLU A 61 -12.330 11.017 -10.328 1.00 1.00 O ATOM 998 CB GLU A 61 -12.319 7.919 -9.812 1.00 0.86 C ATOM 999 CG GLU A 61 -11.811 6.586 -10.366 1.00 0.82 C ATOM 1000 CD GLU A 61 -12.993 5.639 -10.579 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -14.087 6.131 -10.799 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -12.783 4.439 -10.519 1.00 0.74 O ATOM 0 H GLU A 61 -10.366 7.818 -8.264 1.00 0.87 H new ATOM 0 HA GLU A 61 -10.776 8.982 -10.869 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.663 7.790 -8.786 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -13.174 8.264 -10.394 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -11.286 6.748 -11.308 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.095 6.142 -9.674 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.583 10.751 -8.269 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.092 12.090 -7.831 1.00 1.01 C ATOM 1011 C GLY A 62 -13.263 11.911 -6.866 1.00 1.00 C ATOM 1012 O GLY A 62 -14.412 12.064 -7.230 1.00 1.03 O ATOM 0 H GLY A 62 -11.108 10.216 -7.542 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.293 12.652 -7.347 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.409 12.670 -8.698 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.259 -6.659 6.908 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.448 -7.865 7.169 1.00 0.35 C ATOM 1209 C PRO A 74 -13.677 -8.325 8.612 1.00 0.35 C ATOM 1210 O PRO A 74 -13.564 -7.552 9.542 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.983 -7.429 6.930 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.012 -5.957 6.426 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.484 -5.486 6.442 1.00 0.47 C ATOM 0 HA PRO A 74 -13.709 -8.705 6.526 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.404 -7.508 7.850 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.505 -8.077 6.195 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.400 -5.321 7.066 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.599 -5.889 5.420 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.618 -4.634 7.109 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.807 -5.168 5.451 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.003 -9.580 8.797 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.252 -10.112 10.175 1.00 0.38 C ATOM 1223 C ASP A 75 -13.164 -11.118 10.520 1.00 0.36 C ATOM 1224 O ASP A 75 -12.609 -11.107 11.601 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.627 -10.810 10.199 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.292 -10.630 11.570 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.825 -9.561 11.814 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -16.253 -11.567 12.352 1.00 0.82 O ATOM 0 H ASP A 75 -14.108 -10.264 8.048 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.241 -9.299 10.901 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.267 -10.395 9.420 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.507 -11.871 9.982 1.00 0.46 H new ATOM 1233 N SER A 76 -12.870 -11.995 9.599 1.00 0.38 N ATOM 1234 CA SER A 76 -11.826 -13.034 9.837 1.00 0.41 C ATOM 1235 C SER A 76 -10.702 -12.868 8.818 1.00 0.39 C ATOM 1236 O SER A 76 -10.638 -11.898 8.088 1.00 0.37 O ATOM 1237 CB SER A 76 -12.458 -14.423 9.702 1.00 0.51 C ATOM 1238 OG SER A 76 -13.411 -14.408 8.650 1.00 0.54 O ATOM 0 H SER A 76 -13.313 -12.037 8.681 1.00 0.38 H new ATOM 0 HA SER A 76 -11.414 -12.923 10.840 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.688 -15.167 9.499 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.938 -14.709 10.638 1.00 0.51 H new ATOM 0 HG SER A 76 -13.591 -15.326 8.358 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.806 -13.803 8.790 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.656 -13.728 7.855 1.00 0.44 C ATOM 1246 C PHE A 77 -9.122 -13.849 6.429 1.00 0.48 C ATOM 1247 O PHE A 77 -8.894 -12.992 5.628 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.710 -14.885 8.173 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.561 -14.952 7.180 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.786 -13.814 6.904 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.257 -16.168 6.549 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.714 -13.897 6.000 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -5.191 -16.246 5.647 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.420 -15.112 5.374 1.00 0.90 C ATOM 0 H PHE A 77 -9.820 -14.631 9.385 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.153 -12.768 7.973 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.314 -14.767 9.182 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.263 -15.824 8.156 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -6.014 -12.875 7.387 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.848 -17.047 6.761 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.117 -13.022 5.789 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.963 -17.183 5.161 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.596 -15.175 4.679 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.763 -14.909 6.112 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.240 -15.104 4.715 1.00 0.56 C ATOM 1266 C GLU A 78 -10.944 -13.837 4.225 1.00 0.53 C ATOM 1267 O GLU A 78 -10.795 -13.438 3.091 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.207 -16.313 4.688 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.724 -17.367 3.685 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.678 -18.563 3.700 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.456 -19.464 4.493 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -12.615 -18.559 2.918 1.00 1.45 O ATOM 0 H GLU A 78 -9.988 -15.667 6.756 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.397 -15.301 4.053 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.275 -16.754 5.683 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.209 -15.979 4.418 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.678 -16.938 2.684 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.715 -17.691 3.939 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.707 -13.210 5.062 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.419 -11.997 4.649 1.00 0.45 C ATOM 1281 C GLN A 79 -11.418 -10.893 4.308 1.00 0.40 C ATOM 1282 O GLN A 79 -11.601 -10.149 3.364 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.312 -11.612 5.815 1.00 0.49 C ATOM 1284 CG GLN A 79 -14.200 -12.813 6.154 1.00 0.49 C ATOM 1285 CD GLN A 79 -15.166 -12.447 7.281 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.584 -11.312 7.393 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.544 -13.369 8.123 1.00 0.45 N ATOM 0 H GLN A 79 -11.866 -13.496 6.028 1.00 0.46 H new ATOM 0 HA GLN A 79 -13.018 -12.158 3.753 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.709 -11.329 6.678 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.924 -10.748 5.556 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.759 -13.123 5.271 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.582 -13.659 6.454 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.192 -14.322 8.028 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.191 -13.137 8.876 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.348 -10.794 5.041 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.335 -9.755 4.719 1.00 0.38 C ATOM 1298 C LYS A 80 -8.594 -10.191 3.452 1.00 0.39 C ATOM 1299 O LYS A 80 -8.418 -9.428 2.522 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.346 -9.629 5.879 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.008 -8.883 7.039 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.074 -8.892 8.252 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.813 -8.337 9.472 1.00 0.51 C ATOM 1304 NZ LYS A 80 -7.874 -8.262 10.627 1.00 1.03 N ATOM 0 H LYS A 80 -10.131 -11.384 5.845 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.816 -8.790 4.561 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -8.025 -10.618 6.205 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.453 -9.096 5.553 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.230 -7.857 6.746 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.957 -9.355 7.294 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.731 -9.907 8.452 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.188 -8.291 8.046 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.213 -7.348 9.250 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.661 -8.976 9.719 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.374 -7.885 11.457 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.513 -9.213 10.843 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.079 -7.636 10.388 1.00 1.03 H new ATOM 1318 N VAL A 81 -8.169 -11.426 3.416 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.447 -11.957 2.228 1.00 0.47 C ATOM 1320 C VAL A 81 -8.277 -11.708 0.977 1.00 0.45 C ATOM 1321 O VAL A 81 -7.758 -11.638 -0.111 1.00 0.46 O ATOM 1322 CB VAL A 81 -7.247 -13.465 2.393 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.482 -14.017 1.189 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.457 -13.745 3.673 1.00 0.56 C ATOM 0 H VAL A 81 -8.295 -12.098 4.173 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.482 -11.458 2.138 1.00 0.47 H new ATOM 0 HB VAL A 81 -8.221 -13.951 2.457 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -6.341 -15.091 1.309 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -7.049 -13.825 0.278 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.510 -13.529 1.121 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.317 -14.820 3.786 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.484 -13.257 3.614 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -7.006 -13.358 4.531 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.568 -11.597 1.121 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.434 -11.371 -0.074 1.00 0.44 C ATOM 1336 C LEU A 82 -10.465 -9.893 -0.418 1.00 0.38 C ATOM 1337 O LEU A 82 -10.438 -9.519 -1.569 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.857 -11.870 0.220 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.642 -12.048 -1.096 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -12.321 -13.408 -1.734 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -14.147 -11.980 -0.810 1.00 0.54 C ATOM 0 H LEU A 82 -10.062 -11.653 2.012 1.00 0.44 H new ATOM 0 HA LEU A 82 -10.028 -11.922 -0.922 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.814 -12.817 0.757 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.373 -11.160 0.866 1.00 0.47 H new ATOM 0 HG LEU A 82 -12.353 -11.251 -1.781 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.883 -13.517 -2.661 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -11.254 -13.467 -1.948 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.598 -14.207 -1.046 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.700 -12.106 -1.741 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -14.421 -12.773 -0.115 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.391 -11.012 -0.371 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.512 -9.047 0.555 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.528 -7.603 0.245 1.00 0.32 C ATOM 1355 C ASN A 83 -9.234 -7.266 -0.507 1.00 0.31 C ATOM 1356 O ASN A 83 -9.195 -6.381 -1.344 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.622 -6.803 1.566 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.633 -5.661 1.423 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.271 -4.502 1.438 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.896 -5.951 1.281 1.00 0.36 N ATOM 0 H ASN A 83 -10.540 -9.288 1.546 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.386 -7.343 -0.375 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.922 -7.464 2.379 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.643 -6.401 1.827 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.583 -5.203 1.182 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.197 -6.925 1.269 1.00 0.36 H new ATOM 1367 N VAL A 84 -8.171 -7.982 -0.224 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.882 -7.703 -0.934 1.00 0.37 C ATOM 1369 C VAL A 84 -6.818 -8.509 -2.217 1.00 0.39 C ATOM 1370 O VAL A 84 -6.254 -8.078 -3.185 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.677 -8.034 -0.051 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.398 -7.570 -0.755 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.820 -7.299 1.287 1.00 0.40 C ATOM 0 H VAL A 84 -8.139 -8.739 0.459 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.847 -6.639 -1.168 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.628 -9.108 0.125 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.535 -7.803 -0.132 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.303 -8.083 -1.712 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.445 -6.494 -0.923 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.965 -7.530 1.922 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.860 -6.224 1.109 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.737 -7.620 1.782 1.00 0.40 H new ATOM 1383 N SER A 85 -7.397 -9.669 -2.244 1.00 0.41 N ATOM 1384 CA SER A 85 -7.367 -10.461 -3.498 1.00 0.46 C ATOM 1385 C SER A 85 -8.122 -9.654 -4.542 1.00 0.42 C ATOM 1386 O SER A 85 -7.895 -9.742 -5.731 1.00 0.45 O ATOM 1387 CB SER A 85 -8.063 -11.806 -3.283 1.00 0.50 C ATOM 1388 OG SER A 85 -9.466 -11.598 -3.181 1.00 0.53 O ATOM 0 H SER A 85 -7.886 -10.102 -1.460 1.00 0.41 H new ATOM 0 HA SER A 85 -6.342 -10.657 -3.813 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.843 -12.479 -4.112 1.00 0.50 H new ATOM 0 HB3 SER A 85 -7.688 -12.282 -2.377 1.00 0.50 H new ATOM 0 HG SER A 85 -9.640 -10.803 -2.636 1.00 0.53 H new ATOM 1394 N PHE A 86 -9.026 -8.856 -4.071 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.847 -8.013 -4.969 1.00 0.36 C ATOM 1396 C PHE A 86 -9.017 -6.833 -5.470 1.00 0.34 C ATOM 1397 O PHE A 86 -8.852 -6.623 -6.650 1.00 0.35 O ATOM 1398 CB PHE A 86 -11.046 -7.499 -4.174 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.762 -6.382 -4.907 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.842 -6.376 -6.307 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.362 -5.356 -4.170 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.523 -5.344 -6.963 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -13.039 -4.323 -4.827 1.00 0.32 C ATOM 1404 CZ PHE A 86 -13.121 -4.317 -6.223 1.00 0.32 C ATOM 0 H PHE A 86 -9.236 -8.750 -3.078 1.00 0.38 H new ATOM 0 HA PHE A 86 -10.184 -8.593 -5.828 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.741 -8.319 -3.991 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.712 -7.141 -3.200 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.379 -7.167 -6.878 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.303 -5.361 -3.092 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.587 -5.340 -8.041 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.498 -3.530 -4.256 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.645 -3.521 -6.730 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.485 -6.059 -4.583 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.659 -4.908 -5.037 1.00 0.33 C ATOM 1416 C ALA A 87 -6.556 -5.465 -5.932 1.00 0.38 C ATOM 1417 O ALA A 87 -6.110 -4.842 -6.873 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.039 -4.205 -3.828 1.00 0.35 C ATOM 0 H ALA A 87 -8.580 -6.165 -3.573 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.269 -4.185 -5.579 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.435 -3.363 -4.167 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.831 -3.843 -3.172 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.409 -4.907 -3.283 1.00 0.35 H new ATOM 1424 N PHE A 88 -6.151 -6.667 -5.642 1.00 0.41 N ATOM 1425 CA PHE A 88 -5.109 -7.346 -6.431 1.00 0.48 C ATOM 1426 C PHE A 88 -5.721 -7.748 -7.753 1.00 0.48 C ATOM 1427 O PHE A 88 -5.035 -7.979 -8.719 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.664 -8.590 -5.660 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.819 -9.493 -6.529 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -4.428 -10.291 -7.503 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.432 -9.544 -6.351 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -3.652 -11.139 -8.301 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.655 -10.392 -7.149 1.00 0.73 C ATOM 1434 CZ PHE A 88 -2.265 -11.190 -8.124 1.00 0.74 C ATOM 0 H PHE A 88 -6.516 -7.218 -4.865 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.249 -6.699 -6.604 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -4.096 -8.292 -4.779 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.539 -9.135 -5.306 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -5.499 -10.253 -7.639 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.961 -8.929 -5.598 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -4.124 -11.754 -9.053 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.584 -10.431 -7.012 1.00 0.73 H new ATOM 0 HZ PHE A 88 -1.665 -11.845 -8.739 1.00 0.74 H new ATOM 1444 N GLU A 89 -7.016 -7.867 -7.795 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.668 -8.279 -9.068 1.00 0.46 C ATOM 1446 C GLU A 89 -7.761 -7.059 -9.989 1.00 0.43 C ATOM 1447 O GLU A 89 -7.400 -7.118 -11.152 1.00 0.47 O ATOM 1448 CB GLU A 89 -9.063 -8.855 -8.753 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.956 -10.365 -8.513 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.881 -11.099 -9.854 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -9.723 -10.838 -10.698 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -7.984 -11.910 -10.013 1.00 0.63 O ATOM 0 H GLU A 89 -7.647 -7.699 -7.012 1.00 0.44 H new ATOM 0 HA GLU A 89 -7.087 -9.050 -9.573 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.479 -8.366 -7.872 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.745 -8.656 -9.580 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -8.070 -10.586 -7.917 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.818 -10.714 -7.945 1.00 0.51 H new ATOM 1459 N LEU A 90 -8.200 -5.943 -9.478 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.272 -4.731 -10.334 1.00 0.37 C ATOM 1461 C LEU A 90 -6.853 -4.274 -10.627 1.00 0.41 C ATOM 1462 O LEU A 90 -6.609 -3.515 -11.544 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.022 -3.606 -9.614 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.427 -4.069 -9.208 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.176 -2.894 -8.560 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -11.201 -4.555 -10.446 1.00 0.36 C ATOM 0 H LEU A 90 -8.509 -5.820 -8.514 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.804 -4.968 -11.255 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.465 -3.298 -8.729 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.094 -2.735 -10.265 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.345 -4.892 -8.498 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.176 -3.216 -8.269 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.632 -2.558 -7.677 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.253 -2.073 -9.273 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -12.197 -4.882 -10.147 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -11.287 -3.740 -11.165 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.668 -5.388 -10.904 1.00 0.36 H new ATOM 1478 N MET A 91 -5.904 -4.738 -9.859 1.00 0.43 N ATOM 1479 CA MET A 91 -4.493 -4.325 -10.112 1.00 0.49 C ATOM 1480 C MET A 91 -3.912 -5.235 -11.182 1.00 0.54 C ATOM 1481 O MET A 91 -3.353 -4.783 -12.161 1.00 0.58 O ATOM 1482 CB MET A 91 -3.676 -4.443 -8.827 1.00 0.52 C ATOM 1483 CG MET A 91 -3.980 -3.257 -7.905 1.00 0.48 C ATOM 1484 SD MET A 91 -3.056 -1.806 -8.468 1.00 0.55 S ATOM 1485 CE MET A 91 -4.216 -0.552 -7.872 1.00 0.60 C ATOM 0 H MET A 91 -6.041 -5.378 -9.076 1.00 0.43 H new ATOM 0 HA MET A 91 -4.462 -3.288 -10.446 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.912 -5.379 -8.320 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.612 -4.468 -9.063 1.00 0.52 H new ATOM 0 HG2 MET A 91 -5.049 -3.045 -7.908 1.00 0.48 H new ATOM 0 HG3 MET A 91 -3.706 -3.501 -6.878 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.837 0.440 -8.117 1.00 0.60 H new ATOM 0 HE2 MET A 91 -5.186 -0.698 -8.348 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.325 -0.642 -6.791 1.00 0.60 H new ATOM 1495 N GLN A 92 -4.062 -6.518 -11.018 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.542 -7.457 -12.048 1.00 0.62 C ATOM 1497 C GLN A 92 -4.089 -6.994 -13.399 1.00 0.61 C ATOM 1498 O GLN A 92 -3.474 -7.177 -14.431 1.00 0.69 O ATOM 1499 CB GLN A 92 -4.016 -8.898 -11.726 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.820 -9.782 -11.343 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.989 -10.082 -12.592 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -1.788 -9.218 -13.424 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -1.494 -11.278 -12.762 1.00 0.67 N ATOM 0 H GLN A 92 -4.520 -6.956 -10.219 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.452 -7.462 -12.066 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -4.737 -8.876 -10.909 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.527 -9.321 -12.591 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.206 -9.278 -10.596 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.170 -10.711 -10.894 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -1.662 -12.003 -12.065 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -0.939 -11.487 -13.592 1.00 0.67 H new ATOM 1512 N ASP A 93 -5.239 -6.368 -13.389 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.822 -5.863 -14.660 1.00 0.54 C ATOM 1514 C ASP A 93 -5.224 -4.488 -14.936 1.00 0.55 C ATOM 1515 O ASP A 93 -4.661 -4.233 -15.983 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.351 -5.759 -14.502 1.00 0.50 C ATOM 1517 CG ASP A 93 -8.050 -6.098 -15.825 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -8.040 -7.260 -16.196 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -8.580 -5.189 -16.441 1.00 0.80 O ATOM 0 H ASP A 93 -5.796 -6.187 -12.554 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.600 -6.535 -15.489 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.689 -6.439 -13.720 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.623 -4.751 -14.188 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.333 -3.608 -13.987 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.764 -2.247 -14.163 1.00 0.61 C ATOM 1526 C GLY A 94 -3.244 -2.351 -14.315 1.00 0.73 C ATOM 1527 O GLY A 94 -2.554 -1.354 -14.407 1.00 0.82 O ATOM 0 H GLY A 94 -5.794 -3.773 -13.092 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.197 -1.770 -15.042 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.014 -1.622 -13.306 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.715 -3.556 -14.345 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.230 -3.738 -14.496 1.00 0.94 C ATOM 1533 C GLY A 95 -0.644 -4.338 -13.214 1.00 0.92 C ATOM 1534 O GLY A 95 -1.100 -5.356 -12.733 1.00 0.91 O ATOM 0 H GLY A 95 -3.248 -4.422 -14.271 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -1.019 -4.391 -15.343 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.757 -2.779 -14.708 1.00 0.94 H new ATOM 1538 N LEU A 96 0.366 -3.716 -12.656 1.00 0.92 N ATOM 1539 CA LEU A 96 0.984 -4.245 -11.405 1.00 0.91 C ATOM 1540 C LEU A 96 1.789 -5.513 -11.723 1.00 0.94 C ATOM 1541 O LEU A 96 2.748 -5.837 -11.056 1.00 0.95 O ATOM 1542 CB LEU A 96 -0.136 -4.553 -10.398 1.00 0.89 C ATOM 1543 CG LEU A 96 0.326 -4.290 -8.948 1.00 0.87 C ATOM 1544 CD1 LEU A 96 1.609 -5.077 -8.659 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.572 -2.781 -8.719 1.00 0.86 C ATOM 0 H LEU A 96 0.789 -2.861 -13.017 1.00 0.92 H new ATOM 0 HA LEU A 96 1.663 -3.508 -10.976 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -1.008 -3.938 -10.621 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.445 -5.593 -10.501 1.00 0.89 H new ATOM 0 HG LEU A 96 -0.460 -4.620 -8.269 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.929 -4.887 -7.635 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.419 -6.143 -8.788 1.00 0.93 H new ATOM 0 HD13 LEU A 96 2.392 -4.762 -9.348 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.897 -2.617 -7.691 1.00 0.86 H new ATOM 0 HD22 LEU A 96 1.344 -2.430 -9.404 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.351 -2.230 -8.900 1.00 0.86 H new ATOM 1557 N GLU A 97 1.387 -6.218 -12.741 1.00 0.96 N ATOM 1558 CA GLU A 97 2.088 -7.475 -13.152 1.00 1.00 C ATOM 1559 C GLU A 97 1.891 -8.558 -12.088 1.00 0.99 C ATOM 1560 O GLU A 97 0.856 -8.634 -11.456 1.00 0.99 O ATOM 1561 CB GLU A 97 3.588 -7.223 -13.370 1.00 1.05 C ATOM 1562 CG GLU A 97 3.784 -5.982 -14.248 1.00 1.13 C ATOM 1563 CD GLU A 97 5.277 -5.666 -14.355 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.068 -6.580 -14.193 1.00 1.27 O ATOM 1565 OE2 GLU A 97 5.603 -4.516 -14.597 1.00 1.37 O ATOM 0 H GLU A 97 0.584 -5.974 -13.321 1.00 0.96 H new ATOM 0 HA GLU A 97 1.656 -7.812 -14.094 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.086 -7.083 -12.410 1.00 1.05 H new ATOM 0 HB3 GLU A 97 4.047 -8.091 -13.844 1.00 1.05 H new ATOM 0 HG2 GLU A 97 3.366 -6.155 -15.240 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.251 -5.133 -13.821 1.00 1.13 H new ATOM 1572 N LYS A 98 2.869 -9.412 -11.907 1.00 1.02 N ATOM 1573 CA LYS A 98 2.748 -10.522 -10.907 1.00 1.01 C ATOM 1574 C LYS A 98 3.733 -10.308 -9.735 1.00 1.00 C ATOM 1575 O LYS A 98 4.880 -10.693 -9.846 1.00 1.04 O ATOM 1576 CB LYS A 98 3.109 -11.837 -11.603 1.00 1.08 C ATOM 1577 CG LYS A 98 2.117 -12.104 -12.736 1.00 1.09 C ATOM 1578 CD LYS A 98 2.624 -13.263 -13.596 1.00 1.13 C ATOM 1579 CE LYS A 98 1.585 -13.599 -14.667 1.00 1.16 C ATOM 1580 NZ LYS A 98 0.404 -14.246 -14.030 1.00 1.18 N ATOM 0 H LYS A 98 3.754 -9.388 -12.413 1.00 1.02 H new ATOM 0 HA LYS A 98 1.730 -10.543 -10.519 1.00 1.01 H new ATOM 0 HB2 LYS A 98 4.123 -11.785 -11.998 1.00 1.08 H new ATOM 0 HB3 LYS A 98 3.088 -12.658 -10.886 1.00 1.08 H new ATOM 0 HG2 LYS A 98 1.136 -12.344 -12.326 1.00 1.09 H new ATOM 0 HG3 LYS A 98 1.997 -11.209 -13.347 1.00 1.09 H new ATOM 0 HD2 LYS A 98 3.571 -12.994 -14.065 1.00 1.13 H new ATOM 0 HD3 LYS A 98 2.814 -14.136 -12.972 1.00 1.13 H new ATOM 0 HE2 LYS A 98 1.279 -12.692 -15.188 1.00 1.16 H new ATOM 0 HE3 LYS A 98 2.019 -14.265 -15.413 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 -0.162 -14.728 -14.757 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 0.726 -14.940 -13.326 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 -0.178 -13.522 -13.562 1.00 1.18 H new ATOM 1594 N PRO A 99 3.282 -9.719 -8.636 1.00 0.93 N ATOM 1595 CA PRO A 99 4.168 -9.499 -7.475 1.00 0.91 C ATOM 1596 C PRO A 99 4.680 -10.854 -6.965 1.00 0.98 C ATOM 1597 O PRO A 99 4.150 -11.893 -7.307 1.00 1.02 O ATOM 1598 CB PRO A 99 3.287 -8.783 -6.424 1.00 0.84 C ATOM 1599 CG PRO A 99 1.901 -8.522 -7.082 1.00 0.82 C ATOM 1600 CD PRO A 99 1.898 -9.230 -8.455 1.00 0.88 C ATOM 0 HA PRO A 99 5.048 -8.901 -7.712 1.00 0.91 H new ATOM 0 HB2 PRO A 99 3.178 -9.398 -5.531 1.00 0.84 H new ATOM 0 HB3 PRO A 99 3.747 -7.845 -6.112 1.00 0.84 H new ATOM 0 HG2 PRO A 99 1.099 -8.905 -6.451 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.729 -7.452 -7.202 1.00 0.82 H new ATOM 0 HD2 PRO A 99 1.183 -10.053 -8.473 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.614 -8.543 -9.253 1.00 0.88 H new ATOM 1608 N LYS A 100 5.714 -10.857 -6.165 1.00 0.98 N ATOM 1609 CA LYS A 100 6.257 -12.153 -5.663 1.00 1.05 C ATOM 1610 C LYS A 100 5.358 -12.710 -4.532 1.00 1.02 C ATOM 1611 O LYS A 100 4.976 -13.861 -4.591 1.00 1.04 O ATOM 1612 CB LYS A 100 7.724 -11.946 -5.183 1.00 1.11 C ATOM 1613 CG LYS A 100 8.718 -12.770 -6.029 1.00 1.18 C ATOM 1614 CD LYS A 100 10.139 -12.197 -5.884 1.00 1.25 C ATOM 1615 CE LYS A 100 10.466 -11.930 -4.408 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.001 -13.074 -3.574 1.00 1.30 N ATOM 0 H LYS A 100 6.203 -10.023 -5.839 1.00 0.98 H new ATOM 0 HA LYS A 100 6.260 -12.888 -6.468 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.982 -10.889 -5.244 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.809 -12.235 -4.135 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.703 -13.812 -5.709 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.416 -12.754 -7.076 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.863 -12.896 -6.302 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.224 -11.272 -6.454 1.00 1.25 H new ATOM 0 HE2 LYS A 100 11.540 -11.790 -4.283 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.984 -11.009 -4.080 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.664 -13.221 -2.786 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 9.055 -12.866 -3.196 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 9.960 -13.934 -4.157 1.00 1.30 H new ATOM 1630 N PRO A 101 5.037 -11.906 -3.533 1.00 0.97 N ATOM 1631 CA PRO A 101 4.182 -12.377 -2.422 1.00 0.95 C ATOM 1632 C PRO A 101 2.750 -12.585 -2.904 1.00 0.89 C ATOM 1633 O PRO A 101 2.510 -12.898 -4.053 1.00 0.89 O ATOM 1634 CB PRO A 101 4.280 -11.270 -1.356 1.00 0.92 C ATOM 1635 CG PRO A 101 5.117 -10.110 -1.956 1.00 0.92 C ATOM 1636 CD PRO A 101 5.482 -10.500 -3.407 1.00 0.95 C ATOM 0 HA PRO A 101 4.499 -13.340 -2.021 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.287 -10.920 -1.076 1.00 0.92 H new ATOM 0 HB3 PRO A 101 4.750 -11.652 -0.450 1.00 0.92 H new ATOM 0 HG2 PRO A 101 4.549 -9.180 -1.941 1.00 0.92 H new ATOM 0 HG3 PRO A 101 6.018 -9.943 -1.366 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.979 -9.858 -4.130 1.00 0.95 H new ATOM 0 HD3 PRO A 101 6.553 -10.404 -3.587 1.00 0.95 H new ATOM 1644 N ARG A 102 1.797 -12.428 -2.033 1.00 0.84 N ATOM 1645 CA ARG A 102 0.380 -12.638 -2.453 1.00 0.79 C ATOM 1646 C ARG A 102 -0.561 -11.984 -1.417 1.00 0.71 C ATOM 1647 O ARG A 102 -0.173 -11.818 -0.280 1.00 0.71 O ATOM 1648 CB ARG A 102 0.142 -14.166 -2.604 1.00 0.83 C ATOM 1649 CG ARG A 102 -0.829 -14.711 -1.546 1.00 0.92 C ATOM 1650 CD ARG A 102 -1.031 -16.235 -1.737 1.00 0.96 C ATOM 1651 NE ARG A 102 -0.855 -16.954 -0.429 1.00 1.05 N ATOM 1652 CZ ARG A 102 0.233 -16.824 0.285 1.00 1.11 C ATOM 1653 NH1 ARG A 102 1.243 -16.136 -0.172 1.00 1.09 N ATOM 1654 NH2 ARG A 102 0.318 -17.408 1.448 1.00 1.18 N ATOM 0 H ARG A 102 1.931 -12.166 -1.056 1.00 0.84 H new ATOM 0 HA ARG A 102 0.170 -12.167 -3.413 1.00 0.79 H new ATOM 0 HB2 ARG A 102 -0.253 -14.374 -3.598 1.00 0.83 H new ATOM 0 HB3 ARG A 102 1.095 -14.690 -2.524 1.00 0.83 H new ATOM 0 HG2 ARG A 102 -0.440 -14.511 -0.548 1.00 0.92 H new ATOM 0 HG3 ARG A 102 -1.787 -14.198 -1.623 1.00 0.92 H new ATOM 0 HD2 ARG A 102 -2.027 -16.429 -2.135 1.00 0.96 H new ATOM 0 HD3 ARG A 102 -0.316 -16.615 -2.467 1.00 0.96 H new ATOM 0 HE ARG A 102 -1.603 -17.559 -0.090 1.00 1.05 H new ATOM 0 HH11 ARG A 102 1.187 -15.696 -1.091 1.00 1.09 H new ATOM 0 HH12 ARG A 102 2.089 -16.038 0.389 1.00 1.09 H new ATOM 0 HH21 ARG A 102 -0.462 -17.964 1.798 1.00 1.18 H new ATOM 0 HH22 ARG A 102 1.165 -17.309 2.008 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.773 -11.643 -1.840 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.776 -10.996 -0.964 1.00 0.59 C ATOM 1670 C PRO A 103 -2.700 -11.517 0.471 1.00 0.59 C ATOM 1671 O PRO A 103 -3.025 -10.814 1.406 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.116 -11.331 -1.639 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.788 -11.647 -3.125 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.264 -11.889 -3.215 1.00 0.67 C ATOM 0 HA PRO A 103 -2.620 -9.922 -0.865 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.592 -12.184 -1.156 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.810 -10.494 -1.563 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.338 -12.526 -3.462 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -4.085 -10.819 -3.769 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -2.041 -12.905 -3.541 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.796 -11.214 -3.931 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.245 -12.715 0.671 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.141 -13.219 2.064 1.00 0.65 C ATOM 1684 C GLU A 104 -0.972 -12.514 2.729 1.00 0.67 C ATOM 1685 O GLU A 104 -1.131 -11.804 3.695 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.880 -14.728 2.069 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.947 -15.444 1.241 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.897 -16.944 1.533 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -2.696 -17.297 2.683 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -3.059 -17.716 0.601 1.00 0.81 O ATOM 0 H GLU A 104 -1.943 -13.362 -0.058 1.00 0.64 H new ATOM 0 HA GLU A 104 -3.072 -13.025 2.596 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.891 -14.936 1.661 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.888 -15.104 3.092 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.934 -15.049 1.480 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.780 -15.264 0.179 1.00 0.71 H new ATOM 1697 N ASP A 105 0.194 -12.696 2.180 1.00 0.73 N ATOM 1698 CA ASP A 105 1.424 -12.053 2.717 1.00 0.78 C ATOM 1699 C ASP A 105 1.129 -10.587 3.045 1.00 0.73 C ATOM 1700 O ASP A 105 1.592 -10.047 4.027 1.00 0.77 O ATOM 1701 CB ASP A 105 2.521 -12.136 1.636 1.00 0.83 C ATOM 1702 CG ASP A 105 2.390 -13.457 0.874 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.759 -14.361 1.397 1.00 0.94 O ATOM 1704 OD2 ASP A 105 2.927 -13.544 -0.217 1.00 0.86 O ATOM 0 H ASP A 105 0.350 -13.280 1.358 1.00 0.73 H new ATOM 0 HA ASP A 105 1.754 -12.558 3.625 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.431 -11.296 0.947 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.506 -12.066 2.097 1.00 0.83 H new ATOM 1709 N ILE A 106 0.357 -9.952 2.216 1.00 0.67 N ATOM 1710 CA ILE A 106 0.022 -8.515 2.446 1.00 0.64 C ATOM 1711 C ILE A 106 -0.862 -8.411 3.690 1.00 0.59 C ATOM 1712 O ILE A 106 -0.441 -7.910 4.714 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.708 -7.932 1.212 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.254 -8.634 -0.077 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.415 -6.436 1.079 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.267 -8.532 -0.259 1.00 0.72 C ATOM 0 H ILE A 106 -0.062 -10.364 1.382 1.00 0.67 H new ATOM 0 HA ILE A 106 0.936 -7.942 2.599 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.777 -8.093 1.355 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.550 -9.683 -0.046 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.756 -8.186 -0.934 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.935 -6.040 0.207 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.759 -5.917 1.974 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.658 -6.284 0.962 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.558 -9.038 -1.180 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.557 -7.483 -0.314 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.767 -9.003 0.587 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.080 -8.897 3.620 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.981 -8.845 4.816 1.00 0.51 C ATOM 1730 C VAL A 107 -2.181 -9.281 6.051 1.00 0.53 C ATOM 1731 O VAL A 107 -2.409 -8.825 7.154 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.131 -9.852 4.610 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.825 -10.185 5.946 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.154 -9.287 3.627 1.00 0.46 C ATOM 0 H VAL A 107 -2.488 -9.326 2.789 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.372 -7.836 4.948 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.705 -10.770 4.205 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.631 -10.897 5.770 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.100 -10.621 6.634 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.235 -9.273 6.380 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.961 -10.006 3.489 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.561 -8.356 4.021 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.671 -9.096 2.669 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.264 -10.187 5.859 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.450 -10.706 6.983 1.00 0.63 C ATOM 1746 C ASN A 108 0.346 -9.562 7.643 1.00 0.63 C ATOM 1747 O ASN A 108 1.263 -9.803 8.402 1.00 0.66 O ATOM 1748 CB ASN A 108 0.517 -11.780 6.413 1.00 0.69 C ATOM 1749 CG ASN A 108 0.322 -13.124 7.131 1.00 1.07 C ATOM 1750 OD1 ASN A 108 0.679 -13.267 8.284 1.00 1.33 O ATOM 1751 ND2 ASN A 108 -0.231 -14.119 6.492 1.00 1.35 N ATOM 0 H ASN A 108 -1.043 -10.595 4.951 1.00 0.59 H new ATOM 0 HA ASN A 108 -1.094 -11.144 7.745 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.341 -11.904 5.345 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.548 -11.446 6.529 1.00 0.69 H new ATOM 0 HD21 ASN A 108 -0.363 -15.015 6.960 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.531 -14.000 5.524 1.00 1.35 H new ATOM 1758 N CYS A 109 0.012 -8.326 7.368 1.00 0.61 N ATOM 1759 CA CYS A 109 0.765 -7.203 7.996 1.00 0.63 C ATOM 1760 C CYS A 109 2.267 -7.425 7.790 1.00 0.70 C ATOM 1761 O CYS A 109 3.089 -6.741 8.366 1.00 0.85 O ATOM 1762 CB CYS A 109 0.453 -7.165 9.495 1.00 0.62 C ATOM 1763 SG CYS A 109 1.411 -5.848 10.283 1.00 0.66 S ATOM 0 H CYS A 109 -0.743 -8.050 6.741 1.00 0.61 H new ATOM 0 HA CYS A 109 0.471 -6.258 7.538 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.613 -6.996 9.650 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.693 -8.126 9.951 1.00 0.62 H new ATOM 0 HG CYS A 109 2.543 -5.704 9.661 1.00 0.66 H new ATOM 1769 N ASP A 110 2.632 -8.380 6.972 1.00 0.72 N ATOM 1770 CA ASP A 110 4.068 -8.643 6.736 1.00 0.79 C ATOM 1771 C ASP A 110 4.727 -7.357 6.270 1.00 0.81 C ATOM 1772 O ASP A 110 4.108 -6.508 5.663 1.00 0.80 O ATOM 1773 CB ASP A 110 4.239 -9.758 5.669 1.00 0.84 C ATOM 1774 CG ASP A 110 4.522 -9.168 4.275 1.00 0.85 C ATOM 1775 OD1 ASP A 110 5.571 -8.566 4.113 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.695 -9.333 3.397 1.00 0.98 O ATOM 0 H ASP A 110 1.990 -8.985 6.460 1.00 0.72 H new ATOM 0 HA ASP A 110 4.540 -8.982 7.658 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.057 -10.418 5.959 1.00 0.84 H new ATOM 0 HB3 ASP A 110 3.336 -10.368 5.631 1.00 0.84 H new ATOM 1781 N LEU A 111 5.984 -7.234 6.515 1.00 0.89 N ATOM 1782 CA LEU A 111 6.725 -6.044 6.058 1.00 0.93 C ATOM 1783 C LEU A 111 7.421 -6.434 4.764 1.00 0.97 C ATOM 1784 O LEU A 111 7.059 -6.025 3.698 1.00 0.96 O ATOM 1785 CB LEU A 111 7.760 -5.660 7.120 1.00 1.02 C ATOM 1786 CG LEU A 111 7.097 -4.841 8.243 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.713 -3.434 7.743 1.00 1.09 C ATOM 1788 CD2 LEU A 111 5.844 -5.575 8.737 1.00 1.12 C ATOM 0 H LEU A 111 6.543 -7.920 7.022 1.00 0.89 H new ATOM 0 HA LEU A 111 6.064 -5.192 5.899 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.214 -6.559 7.536 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.562 -5.080 6.663 1.00 1.02 H new ATOM 0 HG LEU A 111 7.808 -4.732 9.062 1.00 1.06 H new ATOM 0 HD11 LEU A 111 6.246 -2.874 8.554 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.608 -2.910 7.409 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.012 -3.522 6.913 1.00 1.09 H new ATOM 0 HD21 LEU A 111 5.373 -4.997 9.532 1.00 1.12 H new ATOM 0 HD22 LEU A 111 5.143 -5.694 7.911 1.00 1.12 H new ATOM 0 HD23 LEU A 111 6.124 -6.556 9.119 1.00 1.12 H new ATOM 1800 N LYS A 112 8.411 -7.252 4.891 1.00 1.00 N ATOM 1801 CA LYS A 112 9.211 -7.732 3.730 1.00 1.04 C ATOM 1802 C LYS A 112 8.426 -7.801 2.416 1.00 1.02 C ATOM 1803 O LYS A 112 8.623 -7.020 1.504 1.00 1.04 O ATOM 1804 CB LYS A 112 9.671 -9.145 4.087 1.00 1.06 C ATOM 1805 CG LYS A 112 10.629 -9.681 3.006 1.00 1.12 C ATOM 1806 CD LYS A 112 11.687 -10.593 3.639 1.00 1.15 C ATOM 1807 CE LYS A 112 12.417 -11.371 2.542 1.00 1.20 C ATOM 1808 NZ LYS A 112 11.432 -12.171 1.761 1.00 1.17 N ATOM 0 H LYS A 112 8.717 -7.628 5.788 1.00 1.00 H new ATOM 0 HA LYS A 112 10.025 -7.028 3.561 1.00 1.04 H new ATOM 0 HB2 LYS A 112 10.171 -9.139 5.056 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.808 -9.804 4.178 1.00 1.06 H new ATOM 0 HG2 LYS A 112 10.067 -10.233 2.253 1.00 1.12 H new ATOM 0 HG3 LYS A 112 11.114 -8.849 2.495 1.00 1.12 H new ATOM 0 HD2 LYS A 112 12.398 -9.998 4.212 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.215 -11.285 4.337 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.946 -10.682 1.883 1.00 1.20 H new ATOM 0 HE3 LYS A 112 13.166 -12.028 2.984 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 11.779 -13.146 1.660 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 10.519 -12.179 2.258 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 11.310 -11.747 0.819 1.00 1.17 H new ATOM 1822 N SER A 113 7.591 -8.764 2.294 1.00 0.98 N ATOM 1823 CA SER A 113 6.830 -8.946 1.029 1.00 0.96 C ATOM 1824 C SER A 113 5.935 -7.725 0.726 1.00 0.92 C ATOM 1825 O SER A 113 6.066 -7.079 -0.292 1.00 0.94 O ATOM 1826 CB SER A 113 5.987 -10.205 1.216 1.00 0.92 C ATOM 1827 OG SER A 113 5.942 -10.525 2.598 1.00 0.90 O ATOM 0 H SER A 113 7.390 -9.451 3.020 1.00 0.98 H new ATOM 0 HA SER A 113 7.508 -9.043 0.181 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.979 -10.045 0.833 1.00 0.92 H new ATOM 0 HB3 SER A 113 6.415 -11.033 0.651 1.00 0.92 H new ATOM 0 HG SER A 113 5.541 -11.411 2.716 1.00 0.90 H new ATOM 1833 N THR A 114 5.032 -7.413 1.601 1.00 0.88 N ATOM 1834 CA THR A 114 4.126 -6.240 1.386 1.00 0.85 C ATOM 1835 C THR A 114 4.949 -5.062 0.840 1.00 0.89 C ATOM 1836 O THR A 114 4.479 -4.262 0.063 1.00 0.89 O ATOM 1837 CB THR A 114 3.449 -5.893 2.738 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.065 -5.671 2.529 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.059 -4.641 3.384 1.00 0.84 C ATOM 0 H THR A 114 4.873 -7.922 2.471 1.00 0.88 H new ATOM 0 HA THR A 114 3.348 -6.468 0.657 1.00 0.85 H new ATOM 0 HB THR A 114 3.610 -6.735 3.411 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.636 -5.453 3.383 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.554 -4.436 4.328 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.120 -4.807 3.569 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.936 -3.790 2.715 1.00 0.84 H new ATOM 1847 N LEU A 115 6.183 -4.983 1.244 1.00 0.95 N ATOM 1848 CA LEU A 115 7.079 -3.899 0.773 1.00 1.00 C ATOM 1849 C LEU A 115 7.312 -4.105 -0.718 1.00 1.02 C ATOM 1850 O LEU A 115 7.183 -3.200 -1.504 1.00 1.02 O ATOM 1851 CB LEU A 115 8.429 -3.991 1.540 1.00 1.06 C ATOM 1852 CG LEU A 115 8.691 -2.748 2.414 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.928 -1.507 1.529 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.513 -2.515 3.386 1.00 1.06 C ATOM 0 H LEU A 115 6.616 -5.639 1.895 1.00 0.95 H new ATOM 0 HA LEU A 115 6.637 -2.919 0.951 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.427 -4.881 2.169 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.243 -4.108 0.825 1.00 1.06 H new ATOM 0 HG LEU A 115 9.591 -2.920 3.005 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.111 -0.639 2.162 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.792 -1.677 0.887 1.00 1.09 H new ATOM 0 HD13 LEU A 115 8.048 -1.327 0.912 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.713 -1.634 3.996 1.00 1.06 H new ATOM 0 HD22 LEU A 115 6.596 -2.361 2.817 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.397 -3.385 4.032 1.00 1.06 H new ATOM 1866 N ARG A 116 7.652 -5.299 -1.110 1.00 1.03 N ATOM 1867 CA ARG A 116 7.889 -5.556 -2.555 1.00 1.05 C ATOM 1868 C ARG A 116 6.708 -4.999 -3.376 1.00 1.01 C ATOM 1869 O ARG A 116 6.885 -4.259 -4.325 1.00 1.04 O ATOM 1870 CB ARG A 116 8.010 -7.082 -2.749 1.00 1.04 C ATOM 1871 CG ARG A 116 9.490 -7.557 -2.624 1.00 1.10 C ATOM 1872 CD ARG A 116 9.604 -8.779 -1.696 1.00 1.10 C ATOM 1873 NE ARG A 116 8.479 -9.726 -1.936 1.00 1.16 N ATOM 1874 CZ ARG A 116 8.561 -10.951 -1.488 1.00 1.17 C ATOM 1875 NH1 ARG A 116 9.638 -11.344 -0.865 1.00 1.13 N ATOM 1876 NH2 ARG A 116 7.572 -11.785 -1.662 1.00 1.23 N ATOM 0 H ARG A 116 7.776 -6.104 -0.496 1.00 1.03 H new ATOM 0 HA ARG A 116 8.802 -5.066 -2.893 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.398 -7.594 -2.006 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.620 -7.358 -3.729 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.879 -7.809 -3.611 1.00 1.10 H new ATOM 0 HG3 ARG A 116 10.104 -6.744 -2.237 1.00 1.10 H new ATOM 0 HD2 ARG A 116 10.555 -9.284 -1.866 1.00 1.10 H new ATOM 0 HD3 ARG A 116 9.598 -8.454 -0.656 1.00 1.10 H new ATOM 0 HE ARG A 116 7.651 -9.420 -2.446 1.00 1.16 H new ATOM 0 HH11 ARG A 116 10.414 -10.696 -0.729 1.00 1.13 H new ATOM 0 HH12 ARG A 116 9.704 -12.300 -0.514 1.00 1.13 H new ATOM 0 HH21 ARG A 116 6.729 -11.482 -2.150 1.00 1.23 H new ATOM 0 HH22 ARG A 116 7.642 -12.740 -1.310 1.00 1.23 H new ATOM 1890 N VAL A 117 5.517 -5.370 -3.016 1.00 0.95 N ATOM 1891 CA VAL A 117 4.306 -4.906 -3.757 1.00 0.91 C ATOM 1892 C VAL A 117 4.151 -3.384 -3.680 1.00 0.92 C ATOM 1893 O VAL A 117 4.055 -2.706 -4.687 1.00 0.94 O ATOM 1894 CB VAL A 117 3.063 -5.572 -3.147 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.919 -5.576 -4.168 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.404 -7.012 -2.747 1.00 0.85 C ATOM 0 H VAL A 117 5.322 -5.986 -2.227 1.00 0.95 H new ATOM 0 HA VAL A 117 4.416 -5.183 -4.805 1.00 0.91 H new ATOM 0 HB VAL A 117 2.749 -5.013 -2.265 1.00 0.85 H new ATOM 0 HG11 VAL A 117 1.041 -6.050 -3.729 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.677 -4.551 -4.447 1.00 0.82 H new ATOM 0 HG13 VAL A 117 2.225 -6.131 -5.055 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.524 -7.487 -2.314 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.720 -7.569 -3.629 1.00 0.85 H new ATOM 0 HG23 VAL A 117 4.210 -7.005 -2.014 1.00 0.85 H new ATOM 1906 N LEU A 118 4.102 -2.840 -2.498 1.00 0.91 N ATOM 1907 CA LEU A 118 3.925 -1.365 -2.375 1.00 0.92 C ATOM 1908 C LEU A 118 4.947 -0.673 -3.271 1.00 0.98 C ATOM 1909 O LEU A 118 4.613 0.223 -4.005 1.00 1.00 O ATOM 1910 CB LEU A 118 4.092 -0.915 -0.902 1.00 0.92 C ATOM 1911 CG LEU A 118 2.722 -0.582 -0.272 1.00 0.86 C ATOM 1912 CD1 LEU A 118 2.073 0.620 -0.999 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.798 -1.817 -0.344 1.00 0.81 C ATOM 0 H LEU A 118 4.176 -3.347 -1.616 1.00 0.91 H new ATOM 0 HA LEU A 118 2.919 -1.090 -2.690 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.579 -1.704 -0.329 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.741 -0.041 -0.855 1.00 0.92 H new ATOM 0 HG LEU A 118 2.870 -0.312 0.774 1.00 0.86 H new ATOM 0 HD11 LEU A 118 1.108 0.843 -0.544 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.724 1.491 -0.915 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.930 0.375 -2.051 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.833 -1.576 0.102 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.655 -2.104 -1.386 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.253 -2.644 0.201 1.00 0.81 H new ATOM 1925 N TYR A 119 6.180 -1.100 -3.245 1.00 1.03 N ATOM 1926 CA TYR A 119 7.202 -0.478 -4.133 1.00 1.09 C ATOM 1927 C TYR A 119 6.614 -0.415 -5.532 1.00 1.08 C ATOM 1928 O TYR A 119 6.577 0.611 -6.177 1.00 1.11 O ATOM 1929 CB TYR A 119 8.440 -1.369 -4.160 1.00 1.13 C ATOM 1930 CG TYR A 119 9.559 -0.655 -4.863 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.355 0.263 -4.173 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.792 -0.914 -6.208 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.393 0.925 -4.840 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.828 -0.257 -6.881 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.630 0.664 -6.196 1.00 1.34 C ATOM 1936 OH TYR A 119 12.651 1.316 -6.857 1.00 1.41 O ATOM 0 H TYR A 119 6.523 -1.852 -2.648 1.00 1.03 H new ATOM 0 HA TYR A 119 7.473 0.516 -3.778 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.739 -1.624 -3.143 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.215 -2.306 -4.670 1.00 1.13 H new ATOM 0 HD1 TYR A 119 10.170 0.461 -3.128 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.172 -1.624 -6.735 1.00 1.24 H new ATOM 0 HE1 TYR A 119 12.010 1.636 -4.310 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.009 -0.460 -7.926 1.00 1.31 H new ATOM 0 HH TYR A 119 12.679 1.018 -7.790 1.00 1.41 H new ATOM 1946 N ASN A 120 6.133 -1.530 -5.974 1.00 1.06 N ATOM 1947 CA ASN A 120 5.500 -1.621 -7.311 1.00 1.05 C ATOM 1948 C ASN A 120 4.528 -0.432 -7.506 1.00 1.03 C ATOM 1949 O ASN A 120 4.473 0.183 -8.560 1.00 1.05 O ATOM 1950 CB ASN A 120 4.738 -2.969 -7.371 1.00 1.01 C ATOM 1951 CG ASN A 120 4.942 -3.638 -8.737 1.00 1.04 C ATOM 1952 OD1 ASN A 120 4.917 -4.849 -8.844 1.00 1.06 O ATOM 1953 ND2 ASN A 120 5.143 -2.894 -9.790 1.00 1.06 N ATOM 0 H ASN A 120 6.151 -2.407 -5.453 1.00 1.06 H new ATOM 0 HA ASN A 120 6.246 -1.577 -8.105 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.091 -3.629 -6.579 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.675 -2.801 -7.196 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.279 -3.328 -10.703 1.00 1.06 H new ATOM 0 HD22 ASN A 120 5.164 -1.878 -9.700 1.00 1.06 H new ATOM 1960 N LEU A 121 3.760 -0.105 -6.498 1.00 0.99 N ATOM 1961 CA LEU A 121 2.798 1.026 -6.629 1.00 0.97 C ATOM 1962 C LEU A 121 3.552 2.352 -6.627 1.00 1.03 C ATOM 1963 O LEU A 121 3.461 3.114 -7.559 1.00 1.05 O ATOM 1964 CB LEU A 121 1.827 1.012 -5.451 1.00 0.92 C ATOM 1965 CG LEU A 121 0.720 -0.039 -5.677 1.00 0.87 C ATOM 1966 CD1 LEU A 121 0.114 -0.447 -4.331 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.393 0.535 -6.567 1.00 0.87 C ATOM 0 H LEU A 121 3.759 -0.573 -5.592 1.00 0.99 H new ATOM 0 HA LEU A 121 2.250 0.916 -7.565 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.366 0.789 -4.530 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.381 1.999 -5.328 1.00 0.92 H new ATOM 0 HG LEU A 121 1.163 -0.906 -6.167 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.667 -1.189 -4.494 1.00 0.86 H new ATOM 0 HD12 LEU A 121 0.891 -0.872 -3.696 1.00 0.86 H new ATOM 0 HD13 LEU A 121 -0.314 0.429 -3.844 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.165 -0.220 -6.716 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.829 1.410 -6.085 1.00 0.87 H new ATOM 0 HD23 LEU A 121 0.025 0.822 -7.532 1.00 0.87 H new ATOM 1979 N PHE A 122 4.286 2.632 -5.579 1.00 1.05 N ATOM 1980 CA PHE A 122 5.051 3.910 -5.495 1.00 1.11 C ATOM 1981 C PHE A 122 5.678 4.184 -6.837 1.00 1.16 C ATOM 1982 O PHE A 122 5.919 5.294 -7.217 1.00 1.20 O ATOM 1983 CB PHE A 122 6.164 3.741 -4.436 1.00 1.14 C ATOM 1984 CG PHE A 122 6.332 4.998 -3.631 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.417 5.269 -2.630 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.401 5.869 -3.871 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.555 6.423 -1.845 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.543 7.026 -3.096 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.619 7.303 -2.081 1.00 1.27 C ATOM 0 H PHE A 122 4.388 2.020 -4.769 1.00 1.05 H new ATOM 0 HA PHE A 122 4.395 4.735 -5.219 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.919 2.910 -3.774 1.00 1.14 H new ATOM 0 HB3 PHE A 122 7.104 3.490 -4.927 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.595 4.591 -2.453 1.00 1.16 H new ATOM 0 HD2 PHE A 122 8.114 5.649 -4.652 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.843 6.633 -1.061 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.363 7.704 -3.281 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.727 8.194 -1.481 1.00 1.27 H new ATOM 1999 N THR A 123 5.912 3.156 -7.548 1.00 1.15 N ATOM 2000 CA THR A 123 6.519 3.312 -8.895 1.00 1.20 C ATOM 2001 C THR A 123 5.461 3.840 -9.859 1.00 1.18 C ATOM 2002 O THR A 123 5.679 4.787 -10.587 1.00 1.22 O ATOM 2003 CB THR A 123 7.038 1.958 -9.387 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.799 1.343 -8.357 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.919 2.166 -10.620 1.00 1.27 C ATOM 0 H THR A 123 5.714 2.195 -7.268 1.00 1.15 H new ATOM 0 HA THR A 123 7.352 4.014 -8.844 1.00 1.20 H new ATOM 0 HB THR A 123 6.196 1.318 -9.649 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.195 0.913 -7.717 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.288 1.202 -10.970 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.335 2.639 -11.409 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.763 2.805 -10.361 1.00 1.27 H new ATOM 2013 N LYS A 124 4.324 3.217 -9.875 1.00 1.12 N ATOM 2014 CA LYS A 124 3.240 3.635 -10.795 1.00 1.10 C ATOM 2015 C LYS A 124 2.646 5.007 -10.444 1.00 1.10 C ATOM 2016 O LYS A 124 2.104 5.672 -11.306 1.00 1.11 O ATOM 2017 CB LYS A 124 2.131 2.601 -10.691 1.00 1.04 C ATOM 2018 CG LYS A 124 2.555 1.308 -11.379 1.00 1.04 C ATOM 2019 CD LYS A 124 1.450 0.247 -11.187 1.00 0.99 C ATOM 2020 CE LYS A 124 1.136 -0.398 -12.524 1.00 0.98 C ATOM 2021 NZ LYS A 124 -0.026 -1.317 -12.380 1.00 0.92 N ATOM 0 H LYS A 124 4.095 2.421 -9.279 1.00 1.12 H new ATOM 0 HA LYS A 124 3.661 3.710 -11.798 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.901 2.406 -9.643 1.00 1.04 H new ATOM 0 HB3 LYS A 124 1.220 2.985 -11.151 1.00 1.04 H new ATOM 0 HG2 LYS A 124 2.725 1.486 -12.441 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.496 0.951 -10.961 1.00 1.04 H new ATOM 0 HD2 LYS A 124 1.776 -0.509 -10.473 1.00 0.99 H new ATOM 0 HD3 LYS A 124 0.554 0.710 -10.774 1.00 0.99 H new ATOM 0 HE2 LYS A 124 0.914 0.370 -13.265 1.00 0.98 H new ATOM 0 HE3 LYS A 124 2.004 -0.949 -12.885 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 -0.153 -1.857 -13.260 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 0.146 -1.974 -11.592 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 -0.885 -0.763 -12.187 1.00 0.92 H new ATOM 2035 N TYR A 125 2.684 5.423 -9.202 1.00 1.10 N ATOM 2036 CA TYR A 125 2.048 6.738 -8.834 1.00 1.11 C ATOM 2037 C TYR A 125 3.103 7.813 -8.580 1.00 1.17 C ATOM 2038 O TYR A 125 2.821 8.993 -8.597 1.00 1.20 O ATOM 2039 CB TYR A 125 1.188 6.524 -7.592 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.024 5.697 -7.978 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.098 4.313 -8.184 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.269 6.317 -8.139 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.023 3.558 -8.547 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.389 5.559 -8.502 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.266 4.180 -8.706 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.370 3.435 -9.064 1.00 0.86 O ATOM 0 H TYR A 125 3.122 4.919 -8.431 1.00 1.10 H new ATOM 0 HA TYR A 125 1.430 7.086 -9.662 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.762 6.015 -6.818 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.875 7.483 -7.179 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.057 3.831 -8.062 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.366 7.381 -7.983 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.928 2.494 -8.705 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.349 6.039 -8.625 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.153 4.021 -9.130 1.00 0.86 H new ATOM 2056 N ARG A 126 4.308 7.409 -8.353 1.00 1.20 N ATOM 2057 CA ARG A 126 5.414 8.368 -8.103 1.00 1.27 C ATOM 2058 C ARG A 126 5.309 9.571 -9.055 1.00 1.31 C ATOM 2059 O ARG A 126 5.684 10.676 -8.716 1.00 1.35 O ATOM 2060 CB ARG A 126 6.738 7.591 -8.300 1.00 1.31 C ATOM 2061 CG ARG A 126 7.779 8.433 -9.015 1.00 1.38 C ATOM 2062 CD ARG A 126 9.121 7.696 -9.035 1.00 1.42 C ATOM 2063 NE ARG A 126 9.459 7.169 -7.669 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.524 7.953 -6.626 1.00 1.52 C ATOM 2065 NH1 ARG A 126 9.473 9.249 -6.766 1.00 1.50 N ATOM 2066 NH2 ARG A 126 9.696 7.438 -5.439 1.00 1.59 N ATOM 0 H ARG A 126 4.586 6.428 -8.328 1.00 1.20 H new ATOM 0 HA ARG A 126 5.367 8.772 -7.092 1.00 1.27 H new ATOM 0 HB2 ARG A 126 7.125 7.279 -7.330 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.546 6.684 -8.873 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.453 8.641 -10.034 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.889 9.394 -8.513 1.00 1.38 H new ATOM 0 HD2 ARG A 126 9.078 6.872 -9.748 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.907 8.371 -9.374 1.00 1.42 H new ATOM 0 HE ARG A 126 9.643 6.172 -7.553 1.00 1.49 H new ATOM 0 HH11 ARG A 126 9.382 9.658 -7.696 1.00 1.50 H new ATOM 0 HH12 ARG A 126 9.524 9.853 -5.946 1.00 1.50 H new ATOM 0 HH21 ARG A 126 9.779 6.427 -5.329 1.00 1.59 H new ATOM 0 HH22 ARG A 126 9.747 8.046 -4.622 1.00 1.59 H new ATOM 2080 N ASN A 127 4.824 9.355 -10.242 1.00 1.30 N ATOM 2081 CA ASN A 127 4.709 10.461 -11.237 1.00 1.33 C ATOM 2082 C ASN A 127 3.259 10.924 -11.304 1.00 1.29 C ATOM 2083 O ASN A 127 2.962 12.051 -11.646 1.00 1.31 O ATOM 2084 CB ASN A 127 5.159 9.914 -12.609 1.00 1.35 C ATOM 2085 CG ASN A 127 6.569 10.411 -12.953 1.00 1.43 C ATOM 2086 OD1 ASN A 127 7.478 10.457 -12.018 1.00 1.46 O flip ATOM 2087 ND2 ASN A 127 6.843 10.760 -14.084 1.00 1.46 N flip ATOM 0 H ASN A 127 4.497 8.447 -10.573 1.00 1.30 H new ATOM 0 HA ASN A 127 5.333 11.308 -10.953 1.00 1.33 H new ATOM 0 HB2 ASN A 127 5.145 8.824 -12.594 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.458 10.231 -13.381 1.00 1.35 H new ATOM 0 HD21 ASN A 127 6.133 10.724 -14.815 1.00 1.46 H new ATOM 0 HD22 ASN A 127 7.783 11.089 -14.303 1.00 1.46 H new ATOM 2094 N VAL A 128 2.367 10.047 -10.984 1.00 1.23 N ATOM 2095 CA VAL A 128 0.911 10.380 -11.020 1.00 1.18 C ATOM 2096 C VAL A 128 0.404 10.577 -9.594 1.00 1.15 C ATOM 2097 O VAL A 128 0.605 9.759 -8.718 1.00 1.11 O ATOM 2098 CB VAL A 128 0.164 9.233 -11.718 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.334 9.287 -11.393 1.00 1.09 C ATOM 2100 CG2 VAL A 128 0.352 9.354 -13.234 1.00 1.17 C ATOM 0 H VAL A 128 2.579 9.093 -10.692 1.00 1.23 H new ATOM 0 HA VAL A 128 0.739 11.303 -11.574 1.00 1.18 H new ATOM 0 HB VAL A 128 0.569 8.286 -11.362 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -1.845 8.467 -11.897 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.476 9.197 -10.316 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -1.747 10.236 -11.735 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.177 8.541 -13.732 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.047 10.309 -13.575 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.414 9.297 -13.475 1.00 1.17 H new