USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 689 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 23 ASN :FLIP amide:sc= -0.182 F(o=-1.8,f=-0.86) USER MOD Set 1.2: A 91 HIS : no HE2:sc= -0.676 K(o=-0.86,f=-3.9!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -176:sc= 0.0363 (180deg=-0.236) USER MOD Set 2.2: A 19 ASN :FLIP amide:sc= -0.715 F(o=-2.2,f=-0.68) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 24 SER OG : rot -87:sc= 1.26 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= -0.0678 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0317 (180deg=-0.477) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.000193 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -5.11! C(o=-6.1!,f=-5.1!) USER MOD Single : A 43 SER OG : rot 5:sc= 0.937 USER MOD Single : A 45 ASN : amide:sc= -3.71! C(o=-3.7!,f=-4.4!) USER MOD Single : A 47 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 51:sc= 0.744 USER MOD Single : A 63 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.3) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.0255 USER MOD Single : A 68 LYS NZ :NH3+ -124:sc= -0.986 (180deg=-2.97!) USER MOD Single : A 74 ASN :FLIP amide:sc= -1.46! C(o=-2.6!,f=-1.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.228 K(o=-0.23,f=-0.81) USER MOD Single : A 92 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 7 -17.063 1.433 -15.786 1.00 1.00 N ATOM 88 CA ARG A 7 -17.517 2.589 -14.990 1.00 1.00 C ATOM 89 C ARG A 7 -16.540 2.956 -13.863 1.00 1.00 C ATOM 90 O ARG A 7 -15.933 4.026 -13.889 1.00 1.00 O ATOM 91 CB ARG A 7 -18.893 2.295 -14.389 1.00 1.00 C ATOM 92 CG ARG A 7 -19.928 2.131 -15.507 1.00 1.00 C ATOM 93 CD ARG A 7 -21.285 1.781 -14.896 1.00 1.00 C ATOM 94 NE ARG A 7 -21.763 2.889 -14.079 1.00 1.00 N ATOM 95 CZ ARG A 7 -22.867 2.783 -13.345 1.00 1.00 C ATOM 96 NH1 ARG A 7 -23.544 1.665 -13.335 1.00 1.00 N ATOM 97 NH2 ARG A 7 -23.275 3.797 -12.628 1.00 1.00 N ATOM 0 HA ARG A 7 -17.568 3.441 -15.668 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -18.850 1.388 -13.786 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -19.189 3.106 -13.724 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -20.004 3.052 -16.085 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -19.614 1.347 -16.196 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -22.004 1.564 -15.686 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -21.198 0.881 -14.288 1.00 1.00 H new ATOM 0 HE ARG A 7 -21.240 3.764 -14.070 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -23.226 0.871 -13.891 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -24.390 1.586 -12.771 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -22.747 4.670 -12.631 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -24.122 3.716 -12.065 1.00 1.00 H new ATOM 111 N ASP A 8 -16.363 2.073 -12.886 1.00 1.00 N ATOM 112 CA ASP A 8 -15.473 2.336 -11.757 1.00 1.00 C ATOM 113 C ASP A 8 -13.989 2.423 -12.191 1.00 1.00 C ATOM 114 O ASP A 8 -13.449 1.442 -12.703 1.00 1.00 O ATOM 115 CB ASP A 8 -15.625 1.212 -10.735 1.00 1.00 C ATOM 116 CG ASP A 8 -17.096 1.054 -10.369 1.00 1.00 C ATOM 117 OD1 ASP A 8 -17.886 0.815 -11.267 1.00 1.00 O ATOM 118 OD2 ASP A 8 -17.414 1.182 -9.198 1.00 1.00 O ATOM 0 H ASP A 8 -16.826 1.165 -12.852 1.00 1.00 H new ATOM 0 HA ASP A 8 -15.752 3.298 -11.328 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -15.239 0.279 -11.145 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -15.039 1.435 -9.843 1.00 1.00 H new ATOM 123 N PRO A 9 -13.315 3.527 -12.021 1.00 1.00 N ATOM 124 CA PRO A 9 -11.875 3.622 -12.440 1.00 1.00 C ATOM 125 C PRO A 9 -10.916 2.833 -11.522 1.00 1.00 C ATOM 126 O PRO A 9 -11.058 2.798 -10.301 1.00 1.00 O ATOM 127 CB PRO A 9 -11.593 5.145 -12.414 1.00 1.00 C ATOM 128 CG PRO A 9 -12.522 5.683 -11.361 1.00 1.00 C ATOM 129 CD PRO A 9 -13.792 4.812 -11.436 1.00 1.00 C ATOM 0 HA PRO A 9 -11.704 3.172 -13.418 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -10.552 5.351 -12.167 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -11.787 5.601 -13.385 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -12.067 5.626 -10.372 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -12.756 6.732 -11.545 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -14.232 4.663 -10.450 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -14.557 5.275 -12.060 1.00 1.00 H new ATOM 137 N THR A 10 -9.912 2.211 -12.133 1.00 1.00 N ATOM 138 CA THR A 10 -8.894 1.423 -11.401 1.00 1.00 C ATOM 139 C THR A 10 -7.572 2.171 -11.382 1.00 1.00 C ATOM 140 O THR A 10 -7.307 3.033 -12.220 1.00 1.00 O ATOM 141 CB THR A 10 -8.696 0.056 -12.080 1.00 1.00 C ATOM 142 OG1 THR A 10 -9.942 -0.626 -12.129 1.00 1.00 O ATOM 143 CG2 THR A 10 -7.676 -0.791 -11.294 1.00 1.00 C ATOM 0 H THR A 10 -9.771 2.231 -13.143 1.00 1.00 H new ATOM 0 HA THR A 10 -9.239 1.272 -10.378 1.00 1.00 H new ATOM 0 HB THR A 10 -8.317 0.212 -13.090 1.00 1.00 H new ATOM 0 HG1 THR A 10 -9.822 -1.497 -12.562 1.00 1.00 H new ATOM 0 HG21 THR A 10 -7.547 -1.755 -11.787 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.719 -0.270 -11.260 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.039 -0.948 -10.279 1.00 1.00 H new ATOM 151 N LEU A 11 -6.729 1.842 -10.408 1.00 1.00 N ATOM 152 CA LEU A 11 -5.420 2.498 -10.295 1.00 1.00 C ATOM 153 C LEU A 11 -4.359 1.498 -9.808 1.00 1.00 C ATOM 154 O LEU A 11 -4.609 0.674 -8.928 1.00 1.00 O ATOM 155 CB LEU A 11 -5.540 3.727 -9.345 1.00 1.00 C ATOM 156 CG LEU A 11 -4.775 4.962 -9.907 1.00 1.00 C ATOM 157 CD1 LEU A 11 -3.291 4.604 -10.185 1.00 1.00 C ATOM 158 CD2 LEU A 11 -5.455 5.510 -11.206 1.00 1.00 C ATOM 0 H LEU A 11 -6.919 1.138 -9.694 1.00 1.00 H new ATOM 0 HA LEU A 11 -5.099 2.853 -11.274 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -6.591 3.981 -9.208 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -5.144 3.469 -8.363 1.00 1.00 H new ATOM 0 HG LEU A 11 -4.811 5.747 -9.152 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.773 5.479 -10.577 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -2.814 4.285 -9.258 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -3.242 3.796 -10.915 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -4.897 6.371 -11.573 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -5.463 4.731 -11.969 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -6.479 5.809 -10.982 1.00 1.00 H new ATOM 170 N THR A 12 -3.166 1.575 -10.388 1.00 1.00 N ATOM 171 CA THR A 12 -2.051 0.676 -10.024 1.00 1.00 C ATOM 172 C THR A 12 -0.827 1.486 -9.589 1.00 1.00 C ATOM 173 O THR A 12 -0.279 2.284 -10.351 1.00 1.00 O ATOM 174 CB THR A 12 -1.683 -0.204 -11.226 1.00 1.00 C ATOM 175 OG1 THR A 12 -2.840 -0.901 -11.665 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.604 -1.221 -10.825 1.00 1.00 C ATOM 0 H THR A 12 -2.935 2.250 -11.117 1.00 1.00 H new ATOM 0 HA THR A 12 -2.369 0.047 -9.192 1.00 1.00 H new ATOM 0 HB THR A 12 -1.299 0.427 -12.027 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.611 -1.464 -12.434 1.00 1.00 H new ATOM 0 HG21 THR A 12 -0.350 -1.840 -11.685 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.286 -0.692 -10.484 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.981 -1.853 -10.021 1.00 1.00 H new ATOM 184 N LEU A 13 -0.401 1.257 -8.351 1.00 1.00 N ATOM 185 CA LEU A 13 0.766 1.962 -7.783 1.00 1.00 C ATOM 186 C LEU A 13 1.727 0.959 -7.155 1.00 1.00 C ATOM 187 O LEU A 13 1.313 0.069 -6.412 1.00 1.00 O ATOM 188 CB LEU A 13 0.291 2.953 -6.700 1.00 1.00 C ATOM 189 CG LEU A 13 -0.792 3.906 -7.260 1.00 1.00 C ATOM 190 CD1 LEU A 13 -1.444 4.689 -6.105 1.00 1.00 C ATOM 191 CD2 LEU A 13 -0.181 4.903 -8.274 1.00 1.00 C ATOM 0 H LEU A 13 -0.839 0.591 -7.714 1.00 1.00 H new ATOM 0 HA LEU A 13 1.277 2.501 -8.581 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.108 2.403 -5.848 1.00 1.00 H new ATOM 0 HB3 LEU A 13 1.139 3.533 -6.336 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.544 3.305 -7.771 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -2.206 5.359 -6.504 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -1.905 3.991 -5.406 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -0.684 5.273 -5.586 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -0.963 5.562 -8.653 1.00 1.00 H new ATOM 0 HD22 LEU A 13 0.588 5.498 -7.781 1.00 1.00 H new ATOM 0 HD23 LEU A 13 0.263 4.352 -9.103 1.00 1.00 H new ATOM 203 N SER A 14 3.017 1.107 -7.439 1.00 1.00 N ATOM 204 CA SER A 14 4.021 0.210 -6.885 1.00 1.00 C ATOM 205 C SER A 14 3.972 0.255 -5.362 1.00 1.00 C ATOM 206 O SER A 14 3.165 0.977 -4.778 1.00 1.00 O ATOM 207 CB SER A 14 5.414 0.611 -7.380 1.00 1.00 C ATOM 208 OG SER A 14 5.399 0.722 -8.797 1.00 1.00 O ATOM 0 H SER A 14 3.389 1.837 -8.047 1.00 1.00 H new ATOM 0 HA SER A 14 3.811 -0.807 -7.216 1.00 1.00 H new ATOM 0 HB2 SER A 14 5.711 1.560 -6.933 1.00 1.00 H new ATOM 0 HB3 SER A 14 6.149 -0.131 -7.070 1.00 1.00 H new ATOM 0 HG SER A 14 6.290 0.980 -9.114 1.00 1.00 H new ATOM 214 N LEU A 15 4.832 -0.525 -4.714 1.00 1.00 N ATOM 215 CA LEU A 15 4.877 -0.575 -3.232 1.00 1.00 C ATOM 216 C LEU A 15 6.254 -0.161 -2.710 1.00 1.00 C ATOM 217 O LEU A 15 7.255 -0.851 -2.911 1.00 1.00 O ATOM 218 CB LEU A 15 4.543 -2.000 -2.759 1.00 1.00 C ATOM 219 CG LEU A 15 4.453 -2.087 -1.216 1.00 1.00 C ATOM 220 CD1 LEU A 15 3.339 -1.157 -0.660 1.00 1.00 C ATOM 221 CD2 LEU A 15 4.150 -3.544 -0.833 1.00 1.00 C ATOM 0 H LEU A 15 5.509 -1.132 -5.176 1.00 1.00 H new ATOM 0 HA LEU A 15 4.142 0.126 -2.837 1.00 1.00 H new ATOM 0 HB2 LEU A 15 3.596 -2.316 -3.197 1.00 1.00 H new ATOM 0 HB3 LEU A 15 5.306 -2.690 -3.118 1.00 1.00 H new ATOM 0 HG LEU A 15 5.400 -1.762 -0.785 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.302 -1.242 0.426 1.00 1.00 H new ATOM 0 HD12 LEU A 15 3.555 -0.125 -0.936 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.377 -1.451 -1.080 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.082 -3.629 0.252 1.00 1.00 H new ATOM 0 HD22 LEU A 15 3.204 -3.849 -1.281 1.00 1.00 H new ATOM 0 HD23 LEU A 15 4.949 -4.190 -1.198 1.00 1.00 H new ATOM 233 N ILE A 16 6.300 0.978 -2.028 1.00 1.00 N ATOM 234 CA ILE A 16 7.554 1.509 -1.458 1.00 1.00 C ATOM 235 C ILE A 16 7.472 1.572 0.068 1.00 1.00 C ATOM 236 O ILE A 16 6.396 1.672 0.656 1.00 1.00 O ATOM 237 CB ILE A 16 7.842 2.910 -2.031 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.658 3.866 -1.753 1.00 1.00 C ATOM 239 CG2 ILE A 16 8.066 2.792 -3.546 1.00 1.00 C ATOM 240 CD1 ILE A 16 7.054 5.306 -2.109 1.00 1.00 C ATOM 0 H ILE A 16 5.483 1.562 -1.850 1.00 1.00 H new ATOM 0 HA ILE A 16 8.368 0.837 -1.731 1.00 1.00 H new ATOM 0 HB ILE A 16 8.732 3.316 -1.551 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.790 3.563 -2.338 1.00 1.00 H new ATOM 0 HG13 ILE A 16 6.371 3.808 -0.703 1.00 1.00 H new ATOM 0 HG21 ILE A 16 8.271 3.779 -3.961 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.914 2.134 -3.738 1.00 1.00 H new ATOM 0 HG23 ILE A 16 7.173 2.379 -4.015 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.215 5.974 -1.911 1.00 1.00 H new ATOM 0 HD12 ILE A 16 7.909 5.608 -1.505 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.319 5.360 -3.165 1.00 1.00 H new ATOM 252 N ALA A 17 8.627 1.512 0.725 1.00 1.00 N ATOM 253 CA ALA A 17 8.685 1.561 2.196 1.00 1.00 C ATOM 254 C ALA A 17 8.977 2.977 2.672 1.00 1.00 C ATOM 255 O ALA A 17 9.971 3.587 2.277 1.00 1.00 O ATOM 256 CB ALA A 17 9.784 0.623 2.721 1.00 1.00 C ATOM 0 H ALA A 17 9.536 1.430 0.271 1.00 1.00 H new ATOM 0 HA ALA A 17 7.717 1.241 2.581 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.814 0.671 3.810 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.570 -0.399 2.408 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.749 0.931 2.318 1.00 1.00 H new ATOM 262 N LYS A 18 8.121 3.497 3.545 1.00 1.00 N ATOM 263 CA LYS A 18 8.292 4.849 4.099 1.00 1.00 C ATOM 264 C LYS A 18 8.430 4.770 5.607 1.00 1.00 C ATOM 265 O LYS A 18 7.721 4.025 6.281 1.00 1.00 O ATOM 266 CB LYS A 18 7.080 5.725 3.731 1.00 1.00 C ATOM 267 CG LYS A 18 7.384 7.202 4.036 1.00 1.00 C ATOM 268 CD LYS A 18 6.238 8.082 3.530 1.00 1.00 C ATOM 269 CE LYS A 18 6.589 9.559 3.739 1.00 1.00 C ATOM 270 NZ LYS A 18 6.647 9.856 5.197 1.00 1.00 N ATOM 0 H LYS A 18 7.296 3.006 3.890 1.00 1.00 H new ATOM 0 HA LYS A 18 9.193 5.295 3.679 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.842 5.605 2.674 1.00 1.00 H new ATOM 0 HB3 LYS A 18 6.204 5.402 4.293 1.00 1.00 H new ATOM 0 HG2 LYS A 18 7.516 7.342 5.109 1.00 1.00 H new ATOM 0 HG3 LYS A 18 8.319 7.496 3.559 1.00 1.00 H new ATOM 0 HD2 LYS A 18 6.057 7.887 2.473 1.00 1.00 H new ATOM 0 HD3 LYS A 18 5.318 7.838 4.061 1.00 1.00 H new ATOM 0 HE2 LYS A 18 7.548 9.785 3.273 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.844 10.192 3.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.818 10.872 5.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 5.744 9.592 5.641 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 7.419 9.311 5.632 1.00 1.00 H new ATOM 284 N ASN A 19 9.362 5.550 6.149 1.00 1.00 N ATOM 285 CA ASN A 19 9.604 5.568 7.591 1.00 1.00 C ATOM 286 C ASN A 19 9.610 4.147 8.161 1.00 1.00 C ATOM 287 O ASN A 19 8.554 3.555 8.387 1.00 1.00 O ATOM 288 CB ASN A 19 8.525 6.400 8.288 1.00 1.00 C ATOM 289 CG ASN A 19 8.566 7.836 7.768 1.00 1.00 C ATOM 290 OD1 ASN A 19 7.453 8.508 7.647 1.00 1.00 O flip ATOM 291 ND2 ASN A 19 9.640 8.355 7.460 1.00 1.00 N flip ATOM 0 H ASN A 19 9.962 6.177 5.613 1.00 1.00 H new ATOM 0 HA ASN A 19 10.582 6.016 7.770 1.00 1.00 H new ATOM 0 HB2 ASN A 19 7.542 5.965 8.106 1.00 1.00 H new ATOM 0 HB3 ASN A 19 8.684 6.389 9.366 1.00 1.00 H new ATOM 0 HD21 ASN A 19 10.508 7.827 7.556 1.00 1.00 H new ATOM 0 HD22 ASN A 19 9.662 9.313 7.109 1.00 1.00 H new ATOM 298 N THR A 20 10.800 3.604 8.395 1.00 1.00 N ATOM 299 CA THR A 20 10.933 2.234 8.935 1.00 1.00 C ATOM 300 C THR A 20 12.007 2.162 10.044 1.00 1.00 C ATOM 301 O THR A 20 13.121 2.648 9.841 1.00 1.00 O ATOM 302 CB THR A 20 11.322 1.285 7.789 1.00 1.00 C ATOM 303 OG1 THR A 20 10.411 1.465 6.713 1.00 1.00 O ATOM 304 CG2 THR A 20 11.268 -0.179 8.259 1.00 1.00 C ATOM 0 H THR A 20 11.687 4.078 8.224 1.00 1.00 H new ATOM 0 HA THR A 20 9.978 1.941 9.372 1.00 1.00 H new ATOM 0 HB THR A 20 12.338 1.512 7.468 1.00 1.00 H new ATOM 0 HG1 THR A 20 10.652 0.865 5.977 1.00 1.00 H new ATOM 0 HG21 THR A 20 11.546 -0.836 7.435 1.00 1.00 H new ATOM 0 HG22 THR A 20 11.963 -0.321 9.087 1.00 1.00 H new ATOM 0 HG23 THR A 20 10.257 -0.418 8.588 1.00 1.00 H new ATOM 312 N PRO A 21 11.726 1.552 11.162 1.00 1.00 N ATOM 313 CA PRO A 21 12.738 1.421 12.264 1.00 1.00 C ATOM 314 C PRO A 21 14.163 1.197 11.732 1.00 1.00 C ATOM 315 O PRO A 21 14.562 0.073 11.431 1.00 1.00 O ATOM 316 CB PRO A 21 12.244 0.196 13.059 1.00 1.00 C ATOM 317 CG PRO A 21 10.745 0.210 12.908 1.00 1.00 C ATOM 318 CD PRO A 21 10.443 0.914 11.562 1.00 1.00 C ATOM 0 HA PRO A 21 12.810 2.328 12.864 1.00 1.00 H new ATOM 0 HB2 PRO A 21 12.671 -0.727 12.667 1.00 1.00 H new ATOM 0 HB3 PRO A 21 12.535 0.262 14.107 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.345 -0.804 12.913 1.00 1.00 H new ATOM 0 HG3 PRO A 21 10.277 0.741 13.737 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.107 0.200 10.810 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.652 1.656 11.674 1.00 1.00 H new ATOM 326 N ALA A 22 14.935 2.273 11.619 1.00 1.00 N ATOM 327 CA ALA A 22 16.312 2.213 11.116 1.00 1.00 C ATOM 328 C ALA A 22 17.051 0.978 11.627 1.00 1.00 C ATOM 329 O ALA A 22 16.646 0.342 12.602 1.00 1.00 O ATOM 330 CB ALA A 22 17.072 3.473 11.536 1.00 1.00 C ATOM 0 H ALA A 22 14.629 3.212 11.872 1.00 1.00 H new ATOM 0 HA ALA A 22 16.264 2.149 10.029 1.00 1.00 H new ATOM 0 HB1 ALA A 22 18.094 3.424 11.160 1.00 1.00 H new ATOM 0 HB2 ALA A 22 16.576 4.352 11.124 1.00 1.00 H new ATOM 0 HB3 ALA A 22 17.088 3.542 12.624 1.00 1.00 H new ATOM 336 N ASN A 23 18.144 0.624 10.960 1.00 1.00 N ATOM 337 CA ASN A 23 18.945 -0.541 11.332 1.00 1.00 C ATOM 338 C ASN A 23 18.217 -1.838 10.969 1.00 1.00 C ATOM 339 O ASN A 23 18.621 -2.920 11.395 1.00 1.00 O ATOM 340 CB ASN A 23 19.276 -0.517 12.847 1.00 1.00 C ATOM 341 CG ASN A 23 20.509 -1.367 13.150 1.00 1.00 C ATOM 342 OD1 ASN A 23 21.681 -0.961 12.752 1.00 1.00 O flip ATOM 343 ND2 ASN A 23 20.395 -2.427 13.765 1.00 1.00 N flip ATOM 0 H ASN A 23 18.500 1.132 10.150 1.00 1.00 H new ATOM 0 HA ASN A 23 19.879 -0.501 10.772 1.00 1.00 H new ATOM 0 HB2 ASN A 23 19.449 0.510 13.169 1.00 1.00 H new ATOM 0 HB3 ASN A 23 18.424 -0.890 13.415 1.00 1.00 H new ATOM 0 HD21 ASN A 23 19.475 -2.741 14.075 1.00 1.00 H new ATOM 0 HD22 ASN A 23 21.220 -2.992 13.965 1.00 1.00 H new ATOM 350 N SER A 24 17.151 -1.738 10.182 1.00 1.00 N ATOM 351 CA SER A 24 16.362 -2.911 9.762 1.00 1.00 C ATOM 352 C SER A 24 16.079 -2.861 8.263 1.00 1.00 C ATOM 353 O SER A 24 16.035 -1.797 7.648 1.00 1.00 O ATOM 354 CB SER A 24 15.027 -2.943 10.531 1.00 1.00 C ATOM 355 OG SER A 24 14.089 -2.084 9.881 1.00 1.00 O ATOM 0 H SER A 24 16.804 -0.852 9.815 1.00 1.00 H new ATOM 0 HA SER A 24 16.937 -3.810 9.983 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.640 -3.961 10.569 1.00 1.00 H new ATOM 0 HB3 SER A 24 15.179 -2.621 11.561 1.00 1.00 H new ATOM 0 HG SER A 24 14.189 -1.171 10.223 1.00 1.00 H new ATOM 361 N MET A 25 15.880 -4.035 7.671 1.00 1.00 N ATOM 362 CA MET A 25 15.598 -4.139 6.230 1.00 1.00 C ATOM 363 C MET A 25 14.603 -5.262 5.969 1.00 1.00 C ATOM 364 O MET A 25 14.678 -6.338 6.563 1.00 1.00 O ATOM 365 CB MET A 25 16.897 -4.403 5.456 1.00 1.00 C ATOM 366 CG MET A 25 16.620 -4.402 3.945 1.00 1.00 C ATOM 367 SD MET A 25 18.193 -4.503 3.044 1.00 1.00 S ATOM 368 CE MET A 25 18.358 -6.306 3.021 1.00 1.00 C ATOM 0 H MET A 25 15.907 -4.930 8.160 1.00 1.00 H new ATOM 0 HA MET A 25 15.167 -3.198 5.890 1.00 1.00 H new ATOM 0 HB2 MET A 25 17.636 -3.639 5.699 1.00 1.00 H new ATOM 0 HB3 MET A 25 17.320 -5.362 5.756 1.00 1.00 H new ATOM 0 HG2 MET A 25 15.982 -5.245 3.680 1.00 1.00 H new ATOM 0 HG3 MET A 25 16.084 -3.496 3.663 1.00 1.00 H new ATOM 0 HE1 MET A 25 19.277 -6.581 2.503 1.00 1.00 H new ATOM 0 HE2 MET A 25 18.392 -6.681 4.044 1.00 1.00 H new ATOM 0 HE3 MET A 25 17.505 -6.743 2.502 1.00 1.00 H new ATOM 378 N ILE A 26 13.657 -5.006 5.071 1.00 1.00 N ATOM 379 CA ILE A 26 12.627 -5.982 4.733 1.00 1.00 C ATOM 380 C ILE A 26 13.194 -7.096 3.850 1.00 1.00 C ATOM 381 O ILE A 26 14.172 -6.911 3.127 1.00 1.00 O ATOM 382 CB ILE A 26 11.477 -5.272 3.999 1.00 1.00 C ATOM 383 CG1 ILE A 26 10.919 -4.132 4.885 1.00 1.00 C ATOM 384 CG2 ILE A 26 10.352 -6.287 3.691 1.00 1.00 C ATOM 385 CD1 ILE A 26 9.995 -3.236 4.061 1.00 1.00 C ATOM 0 H ILE A 26 13.583 -4.125 4.562 1.00 1.00 H new ATOM 0 HA ILE A 26 12.259 -6.433 5.654 1.00 1.00 H new ATOM 0 HB ILE A 26 11.851 -4.853 3.065 1.00 1.00 H new ATOM 0 HG12 ILE A 26 10.374 -4.551 5.731 1.00 1.00 H new ATOM 0 HG13 ILE A 26 11.740 -3.543 5.295 1.00 1.00 H new ATOM 0 HG21 ILE A 26 9.538 -5.782 3.171 1.00 1.00 H new ATOM 0 HG22 ILE A 26 10.745 -7.085 3.061 1.00 1.00 H new ATOM 0 HG23 ILE A 26 9.979 -6.711 4.623 1.00 1.00 H new ATOM 0 HD11 ILE A 26 9.606 -2.436 4.692 1.00 1.00 H new ATOM 0 HD12 ILE A 26 10.553 -2.804 3.230 1.00 1.00 H new ATOM 0 HD13 ILE A 26 9.166 -3.827 3.673 1.00 1.00 H new ATOM 397 N MET A 27 12.563 -8.265 3.913 1.00 1.00 N ATOM 398 CA MET A 27 12.988 -9.432 3.109 1.00 1.00 C ATOM 399 C MET A 27 11.990 -9.675 1.980 1.00 1.00 C ATOM 400 O MET A 27 12.336 -10.196 0.919 1.00 1.00 O ATOM 401 CB MET A 27 13.084 -10.679 4.002 1.00 1.00 C ATOM 402 CG MET A 27 13.720 -11.832 3.218 1.00 1.00 C ATOM 403 SD MET A 27 13.913 -13.266 4.303 1.00 1.00 S ATOM 404 CE MET A 27 14.668 -14.364 3.078 1.00 1.00 C ATOM 0 H MET A 27 11.754 -8.440 4.509 1.00 1.00 H new ATOM 0 HA MET A 27 13.969 -9.229 2.679 1.00 1.00 H new ATOM 0 HB2 MET A 27 13.679 -10.458 4.888 1.00 1.00 H new ATOM 0 HB3 MET A 27 12.091 -10.967 4.348 1.00 1.00 H new ATOM 0 HG2 MET A 27 13.096 -12.091 2.362 1.00 1.00 H new ATOM 0 HG3 MET A 27 14.690 -11.527 2.825 1.00 1.00 H new ATOM 0 HE1 MET A 27 14.879 -15.330 3.536 1.00 1.00 H new ATOM 0 HE2 MET A 27 13.983 -14.501 2.241 1.00 1.00 H new ATOM 0 HE3 MET A 27 15.597 -13.923 2.718 1.00 1.00 H new ATOM 414 N THR A 28 10.739 -9.286 2.202 1.00 1.00 N ATOM 415 CA THR A 28 9.693 -9.451 1.198 1.00 1.00 C ATOM 416 C THR A 28 10.013 -8.588 -0.021 1.00 1.00 C ATOM 417 O THR A 28 10.451 -7.444 0.107 1.00 1.00 O ATOM 418 CB THR A 28 8.330 -9.042 1.793 1.00 1.00 C ATOM 419 OG1 THR A 28 8.187 -9.629 3.075 1.00 1.00 O ATOM 420 CG2 THR A 28 7.185 -9.524 0.891 1.00 1.00 C ATOM 0 H THR A 28 10.424 -8.853 3.070 1.00 1.00 H new ATOM 0 HA THR A 28 9.646 -10.496 0.892 1.00 1.00 H new ATOM 0 HB THR A 28 8.290 -7.955 1.868 1.00 1.00 H new ATOM 0 HG1 THR A 28 7.265 -9.940 3.191 1.00 1.00 H new ATOM 0 HG21 THR A 28 6.230 -9.227 1.325 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.288 -9.078 -0.098 1.00 1.00 H new ATOM 0 HG23 THR A 28 7.222 -10.610 0.805 1.00 1.00 H new ATOM 428 N LYS A 29 9.808 -9.118 -1.222 1.00 1.00 N ATOM 429 CA LYS A 29 10.097 -8.368 -2.444 1.00 1.00 C ATOM 430 C LYS A 29 9.155 -7.183 -2.600 1.00 1.00 C ATOM 431 O LYS A 29 9.313 -6.352 -3.495 1.00 1.00 O ATOM 432 CB LYS A 29 10.005 -9.295 -3.660 1.00 1.00 C ATOM 433 CG LYS A 29 8.567 -9.818 -3.819 1.00 1.00 C ATOM 434 CD LYS A 29 8.514 -10.925 -4.885 1.00 1.00 C ATOM 435 CE LYS A 29 8.892 -10.370 -6.273 1.00 1.00 C ATOM 436 NZ LYS A 29 8.471 -11.341 -7.316 1.00 1.00 N ATOM 0 H LYS A 29 9.445 -10.058 -1.378 1.00 1.00 H new ATOM 0 HA LYS A 29 11.111 -7.975 -2.374 1.00 1.00 H new ATOM 0 HB2 LYS A 29 10.307 -8.758 -4.560 1.00 1.00 H new ATOM 0 HB3 LYS A 29 10.694 -10.132 -3.542 1.00 1.00 H new ATOM 0 HG2 LYS A 29 8.206 -10.205 -2.866 1.00 1.00 H new ATOM 0 HG3 LYS A 29 7.905 -9.000 -4.102 1.00 1.00 H new ATOM 0 HD2 LYS A 29 9.196 -11.731 -4.613 1.00 1.00 H new ATOM 0 HD3 LYS A 29 7.512 -11.354 -4.921 1.00 1.00 H new ATOM 0 HE2 LYS A 29 8.408 -9.408 -6.438 1.00 1.00 H new ATOM 0 HE3 LYS A 29 9.967 -10.200 -6.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 8.723 -10.973 -8.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 8.953 -12.249 -7.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 7.442 -11.482 -7.264 1.00 1.00 H new ATOM 450 N LEU A 30 8.169 -7.106 -1.714 1.00 1.00 N ATOM 451 CA LEU A 30 7.191 -6.012 -1.721 1.00 1.00 C ATOM 452 C LEU A 30 6.413 -5.943 -3.057 1.00 1.00 C ATOM 453 O LEU A 30 6.905 -5.318 -3.997 1.00 1.00 O ATOM 454 CB LEU A 30 7.913 -4.659 -1.449 1.00 1.00 C ATOM 455 CG LEU A 30 8.349 -4.562 0.053 1.00 1.00 C ATOM 456 CD1 LEU A 30 9.596 -3.680 0.195 1.00 1.00 C ATOM 457 CD2 LEU A 30 7.219 -3.947 0.899 1.00 1.00 C ATOM 0 H LEU A 30 8.021 -7.792 -0.974 1.00 1.00 H new ATOM 0 HA LEU A 30 6.466 -6.206 -0.931 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.787 -4.570 -2.094 1.00 1.00 H new ATOM 0 HB3 LEU A 30 7.250 -3.830 -1.696 1.00 1.00 H new ATOM 0 HG LEU A 30 8.569 -5.571 0.403 1.00 1.00 H new ATOM 0 HD11 LEU A 30 9.884 -3.624 1.245 1.00 1.00 H new ATOM 0 HD12 LEU A 30 10.414 -4.110 -0.384 1.00 1.00 H new ATOM 0 HD13 LEU A 30 9.377 -2.678 -0.175 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.536 -3.886 1.940 1.00 1.00 H new ATOM 0 HD22 LEU A 30 6.991 -2.947 0.530 1.00 1.00 H new ATOM 0 HD23 LEU A 30 6.329 -4.572 0.827 1.00 1.00 H new ATOM 469 N PRO A 31 5.254 -6.533 -3.148 1.00 1.00 N ATOM 470 CA PRO A 31 4.431 -6.512 -4.403 1.00 1.00 C ATOM 471 C PRO A 31 3.539 -5.267 -4.507 1.00 1.00 C ATOM 472 O PRO A 31 3.156 -4.655 -3.509 1.00 1.00 O ATOM 473 CB PRO A 31 3.591 -7.796 -4.266 1.00 1.00 C ATOM 474 CG PRO A 31 3.304 -7.881 -2.789 1.00 1.00 C ATOM 475 CD PRO A 31 4.550 -7.302 -2.082 1.00 1.00 C ATOM 0 HA PRO A 31 5.040 -6.474 -5.306 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.672 -7.737 -4.849 1.00 1.00 H new ATOM 0 HB3 PRO A 31 4.137 -8.671 -4.619 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.410 -7.314 -2.532 1.00 1.00 H new ATOM 0 HG3 PRO A 31 3.126 -8.912 -2.484 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.271 -6.660 -1.247 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.182 -8.093 -1.679 1.00 1.00 H new ATOM 483 N SER A 32 3.187 -4.891 -5.733 1.00 1.00 N ATOM 484 CA SER A 32 2.337 -3.723 -5.965 1.00 1.00 C ATOM 485 C SER A 32 0.997 -3.859 -5.239 1.00 1.00 C ATOM 486 O SER A 32 0.708 -4.892 -4.635 1.00 1.00 O ATOM 487 CB SER A 32 2.085 -3.560 -7.466 1.00 1.00 C ATOM 488 OG SER A 32 3.328 -3.557 -8.153 1.00 1.00 O ATOM 0 H SER A 32 3.476 -5.377 -6.582 1.00 1.00 H new ATOM 0 HA SER A 32 2.853 -2.846 -5.575 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.457 -4.372 -7.831 1.00 1.00 H new ATOM 0 HB3 SER A 32 1.548 -2.631 -7.658 1.00 1.00 H new ATOM 0 HG SER A 32 3.170 -3.455 -9.115 1.00 1.00 H new ATOM 494 N VAL A 33 0.182 -2.811 -5.308 1.00 1.00 N ATOM 495 CA VAL A 33 -1.148 -2.800 -4.654 1.00 1.00 C ATOM 496 C VAL A 33 -2.233 -2.292 -5.616 1.00 1.00 C ATOM 497 O VAL A 33 -2.066 -1.276 -6.289 1.00 1.00 O ATOM 498 CB VAL A 33 -1.109 -1.903 -3.398 1.00 1.00 C ATOM 499 CG1 VAL A 33 0.013 -2.373 -2.468 1.00 1.00 C ATOM 500 CG2 VAL A 33 -0.859 -0.430 -3.785 1.00 1.00 C ATOM 0 H VAL A 33 0.408 -1.951 -5.808 1.00 1.00 H new ATOM 0 HA VAL A 33 -1.393 -3.823 -4.367 1.00 1.00 H new ATOM 0 HB VAL A 33 -2.072 -1.977 -2.892 1.00 1.00 H new ATOM 0 HG11 VAL A 33 0.040 -1.739 -1.581 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.170 -3.406 -2.171 1.00 1.00 H new ATOM 0 HG13 VAL A 33 0.968 -2.309 -2.989 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -0.835 0.184 -2.885 1.00 1.00 H new ATOM 0 HG22 VAL A 33 0.095 -0.347 -4.305 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -1.660 -0.085 -4.439 1.00 1.00 H new ATOM 510 N ARG A 34 -3.354 -3.007 -5.668 1.00 1.00 N ATOM 511 CA ARG A 34 -4.491 -2.632 -6.536 1.00 1.00 C ATOM 512 C ARG A 34 -5.605 -2.037 -5.690 1.00 1.00 C ATOM 513 O ARG A 34 -6.046 -2.634 -4.708 1.00 1.00 O ATOM 514 CB ARG A 34 -5.009 -3.870 -7.279 1.00 1.00 C ATOM 515 CG ARG A 34 -6.121 -3.470 -8.261 1.00 1.00 C ATOM 516 CD ARG A 34 -6.585 -4.701 -9.039 1.00 1.00 C ATOM 517 NE ARG A 34 -5.515 -5.185 -9.906 1.00 1.00 N ATOM 518 CZ ARG A 34 -5.674 -6.273 -10.654 1.00 1.00 C ATOM 519 NH1 ARG A 34 -6.801 -6.935 -10.619 1.00 1.00 N ATOM 520 NH2 ARG A 34 -4.703 -6.681 -11.426 1.00 1.00 N ATOM 0 H ARG A 34 -3.509 -3.854 -5.121 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.158 -1.893 -7.264 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -4.192 -4.348 -7.818 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -5.389 -4.600 -6.564 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -6.959 -3.033 -7.718 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -5.755 -2.708 -8.950 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -6.884 -5.487 -8.345 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -7.462 -4.453 -9.636 1.00 1.00 H new ATOM 0 HE ARG A 34 -4.630 -4.680 -9.939 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -7.561 -6.617 -10.017 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -6.921 -7.769 -11.194 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.823 -6.165 -11.455 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -4.824 -7.515 -12.000 1.00 1.00 H new ATOM 534 N VAL A 35 -6.061 -0.845 -6.062 1.00 1.00 N ATOM 535 CA VAL A 35 -7.122 -0.153 -5.310 1.00 1.00 C ATOM 536 C VAL A 35 -8.236 0.324 -6.239 1.00 1.00 C ATOM 537 O VAL A 35 -8.043 0.543 -7.436 1.00 1.00 O ATOM 538 CB VAL A 35 -6.507 1.052 -4.553 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.432 1.490 -3.412 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.145 0.652 -3.968 1.00 1.00 C ATOM 0 H VAL A 35 -5.719 -0.333 -6.875 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.559 -0.853 -4.598 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.383 1.878 -5.253 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -6.988 2.337 -2.889 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.400 1.782 -3.820 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.567 0.663 -2.715 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.714 1.500 -3.436 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.276 -0.181 -3.277 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.476 0.352 -4.775 1.00 1.00 H new ATOM 550 N LYS A 36 -9.424 0.490 -5.667 1.00 1.00 N ATOM 551 CA LYS A 36 -10.602 0.944 -6.418 1.00 1.00 C ATOM 552 C LYS A 36 -11.122 2.258 -5.838 1.00 1.00 C ATOM 553 O LYS A 36 -11.185 2.448 -4.623 1.00 1.00 O ATOM 554 CB LYS A 36 -11.692 -0.125 -6.337 1.00 1.00 C ATOM 555 CG LYS A 36 -11.207 -1.400 -7.035 1.00 1.00 C ATOM 556 CD LYS A 36 -12.290 -2.477 -6.942 1.00 1.00 C ATOM 557 CE LYS A 36 -11.823 -3.739 -7.673 1.00 1.00 C ATOM 558 NZ LYS A 36 -10.621 -4.297 -6.993 1.00 1.00 N ATOM 0 H LYS A 36 -9.603 0.317 -4.678 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.325 1.107 -7.459 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -11.933 -0.337 -5.295 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.606 0.236 -6.808 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -10.977 -1.190 -8.080 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.287 -1.754 -6.571 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -12.500 -2.706 -5.897 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -13.218 -2.112 -7.381 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -12.622 -4.480 -7.686 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -11.589 -3.504 -8.711 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -10.496 -5.292 -7.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -9.780 -3.752 -7.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -10.746 -4.237 -5.962 1.00 1.00 H new ATOM 572 N THR A 37 -11.508 3.170 -6.724 1.00 1.00 N ATOM 573 CA THR A 37 -12.028 4.490 -6.310 1.00 1.00 C ATOM 574 C THR A 37 -13.343 4.796 -7.014 1.00 1.00 C ATOM 575 O THR A 37 -13.523 4.487 -8.193 1.00 1.00 O ATOM 576 CB THR A 37 -11.007 5.583 -6.665 1.00 1.00 C ATOM 577 OG1 THR A 37 -10.974 5.761 -8.075 1.00 1.00 O ATOM 578 CG2 THR A 37 -9.612 5.178 -6.175 1.00 1.00 C ATOM 0 H THR A 37 -11.475 3.030 -7.734 1.00 1.00 H new ATOM 0 HA THR A 37 -12.197 4.469 -5.233 1.00 1.00 H new ATOM 0 HB THR A 37 -11.302 6.514 -6.181 1.00 1.00 H new ATOM 0 HG1 THR A 37 -10.324 6.459 -8.301 1.00 1.00 H new ATOM 0 HG21 THR A 37 -8.896 5.959 -6.431 1.00 1.00 H new ATOM 0 HG22 THR A 37 -9.631 5.044 -5.093 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.316 4.243 -6.652 1.00 1.00 H new ATOM 586 N GLU A 38 -14.266 5.421 -6.290 1.00 1.00 N ATOM 587 CA GLU A 38 -15.571 5.776 -6.862 1.00 1.00 C ATOM 588 C GLU A 38 -15.454 7.090 -7.640 1.00 1.00 C ATOM 589 O GLU A 38 -14.485 7.834 -7.489 1.00 1.00 O ATOM 590 CB GLU A 38 -16.617 5.909 -5.733 1.00 1.00 C ATOM 591 CG GLU A 38 -18.042 5.976 -6.314 1.00 1.00 C ATOM 592 CD GLU A 38 -19.078 5.972 -5.195 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.699 6.184 -4.055 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.240 5.756 -5.496 1.00 1.00 O ATOM 0 H GLU A 38 -14.142 5.692 -5.315 1.00 1.00 H new ATOM 0 HA GLU A 38 -15.893 4.991 -7.546 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -16.536 5.060 -5.054 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -16.415 6.806 -5.148 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -18.153 6.878 -6.917 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -18.211 5.127 -6.976 1.00 1.00 H new ATOM 601 N GLY A 39 -16.447 7.380 -8.477 1.00 1.00 N ATOM 602 CA GLY A 39 -16.458 8.615 -9.278 1.00 1.00 C ATOM 603 C GLY A 39 -16.062 8.329 -10.718 1.00 1.00 C ATOM 604 O GLY A 39 -16.181 7.200 -11.192 1.00 1.00 O ATOM 0 H GLY A 39 -17.259 6.780 -8.623 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -17.452 9.062 -9.251 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -15.770 9.341 -8.844 1.00 1.00 H new ATOM 608 N TYR A 40 -15.596 9.359 -11.418 1.00 1.00 N ATOM 609 CA TYR A 40 -15.187 9.220 -12.820 1.00 1.00 C ATOM 610 C TYR A 40 -14.124 10.256 -13.181 1.00 1.00 C ATOM 611 O TYR A 40 -14.427 11.415 -13.469 1.00 1.00 O ATOM 612 CB TYR A 40 -16.409 9.394 -13.726 1.00 1.00 C ATOM 613 CG TYR A 40 -16.010 9.145 -15.169 1.00 1.00 C ATOM 614 CD1 TYR A 40 -16.017 7.841 -15.682 1.00 1.00 C ATOM 615 CD2 TYR A 40 -15.625 10.214 -15.991 1.00 1.00 C ATOM 616 CE1 TYR A 40 -15.644 7.607 -17.008 1.00 1.00 C ATOM 617 CE2 TYR A 40 -15.252 9.980 -17.317 1.00 1.00 C ATOM 618 CZ TYR A 40 -15.261 8.676 -17.826 1.00 1.00 C ATOM 619 OH TYR A 40 -14.893 8.444 -19.134 1.00 1.00 O ATOM 0 H TYR A 40 -15.491 10.301 -11.041 1.00 1.00 H new ATOM 0 HA TYR A 40 -14.760 8.227 -12.963 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -17.196 8.700 -13.430 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -16.814 10.400 -13.618 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -16.311 7.015 -15.051 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -15.617 11.220 -15.598 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -15.651 6.601 -17.402 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -14.957 10.805 -17.949 1.00 1.00 H new ATOM 0 HH TYR A 40 -14.657 9.293 -19.563 1.00 1.00 H new ATOM 629 N ASN A 41 -12.865 9.833 -13.168 1.00 1.00 N ATOM 630 CA ASN A 41 -11.756 10.725 -13.500 1.00 1.00 C ATOM 631 C ASN A 41 -10.433 9.946 -13.541 1.00 1.00 C ATOM 632 O ASN A 41 -9.630 10.064 -12.617 1.00 1.00 O ATOM 633 CB ASN A 41 -11.652 11.855 -12.457 1.00 1.00 C ATOM 634 CG ASN A 41 -11.624 11.286 -11.043 1.00 1.00 C ATOM 635 OD1 ASN A 41 -11.540 9.994 -10.860 1.00 1.00 O flip ATOM 636 ND2 ASN A 41 -11.675 12.044 -10.075 1.00 1.00 N flip ATOM 0 H ASN A 41 -12.585 8.881 -12.932 1.00 1.00 H new ATOM 0 HA ASN A 41 -11.947 11.156 -14.483 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -10.750 12.440 -12.636 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -12.498 12.534 -12.564 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -11.740 13.052 -10.219 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -11.652 11.665 -9.128 1.00 1.00 H new ATOM 643 N PRO A 42 -10.185 9.171 -14.561 1.00 1.00 N ATOM 644 CA PRO A 42 -8.915 8.378 -14.658 1.00 1.00 C ATOM 645 C PRO A 42 -7.701 9.275 -14.934 1.00 1.00 C ATOM 646 O PRO A 42 -6.794 8.917 -15.684 1.00 1.00 O ATOM 647 CB PRO A 42 -9.197 7.384 -15.808 1.00 1.00 C ATOM 648 CG PRO A 42 -10.177 8.107 -16.689 1.00 1.00 C ATOM 649 CD PRO A 42 -11.059 8.939 -15.739 1.00 1.00 C ATOM 0 HA PRO A 42 -8.658 7.869 -13.729 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -8.285 7.133 -16.350 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -9.613 6.449 -15.433 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -9.661 8.747 -17.405 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -10.778 7.404 -17.265 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.369 9.877 -16.199 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -11.968 8.403 -15.464 1.00 1.00 H new ATOM 657 N SER A 43 -7.684 10.446 -14.304 1.00 1.00 N ATOM 658 CA SER A 43 -6.582 11.390 -14.471 1.00 1.00 C ATOM 659 C SER A 43 -6.697 12.528 -13.458 1.00 1.00 C ATOM 660 O SER A 43 -7.417 13.502 -13.679 1.00 1.00 O ATOM 661 CB SER A 43 -6.581 11.958 -15.898 1.00 1.00 C ATOM 662 OG SER A 43 -6.159 10.951 -16.809 1.00 1.00 O ATOM 0 H SER A 43 -8.420 10.764 -13.674 1.00 1.00 H new ATOM 0 HA SER A 43 -5.645 10.861 -14.299 1.00 1.00 H new ATOM 0 HB2 SER A 43 -7.579 12.307 -16.162 1.00 1.00 H new ATOM 0 HB3 SER A 43 -5.916 12.819 -15.958 1.00 1.00 H new ATOM 0 HG SER A 43 -6.040 10.105 -16.329 1.00 1.00 H new ATOM 668 N ILE A 44 -5.969 12.406 -12.352 1.00 1.00 N ATOM 669 CA ILE A 44 -5.981 13.429 -11.289 1.00 1.00 C ATOM 670 C ILE A 44 -4.548 13.845 -10.954 1.00 1.00 C ATOM 671 O ILE A 44 -4.137 13.810 -9.795 1.00 1.00 O ATOM 672 CB ILE A 44 -6.680 12.874 -10.023 1.00 1.00 C ATOM 673 CG1 ILE A 44 -8.005 12.191 -10.415 1.00 1.00 C ATOM 674 CG2 ILE A 44 -6.987 14.026 -9.041 1.00 1.00 C ATOM 675 CD1 ILE A 44 -8.653 11.555 -9.178 1.00 1.00 C ATOM 0 H ILE A 44 -5.360 11.611 -12.160 1.00 1.00 H new ATOM 0 HA ILE A 44 -6.533 14.300 -11.642 1.00 1.00 H new ATOM 0 HB ILE A 44 -6.017 12.152 -9.547 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -8.683 12.921 -10.856 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -7.821 11.429 -11.172 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -7.478 13.627 -8.154 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -6.057 14.515 -8.751 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -7.643 14.751 -9.524 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -9.589 11.075 -9.464 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -7.978 10.811 -8.755 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -8.854 12.327 -8.435 1.00 1.00 H new ATOM 687 N ASN A 45 -3.793 14.243 -11.972 1.00 1.00 N ATOM 688 CA ASN A 45 -2.398 14.675 -11.791 1.00 1.00 C ATOM 689 C ASN A 45 -1.676 13.800 -10.767 1.00 1.00 C ATOM 690 O ASN A 45 -1.163 14.302 -9.766 1.00 1.00 O ATOM 691 CB ASN A 45 -2.354 16.140 -11.332 1.00 1.00 C ATOM 692 CG ASN A 45 -3.216 16.329 -10.089 1.00 1.00 C ATOM 693 OD1 ASN A 45 -4.432 16.500 -10.195 1.00 1.00 O ATOM 694 ND2 ASN A 45 -2.658 16.305 -8.909 1.00 1.00 N ATOM 0 H ASN A 45 -4.119 14.278 -12.938 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.891 14.575 -12.751 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -1.326 16.431 -11.118 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -2.709 16.790 -12.132 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -3.229 16.428 -8.072 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -1.652 16.163 -8.824 1.00 1.00 H new ATOM 701 N VAL A 46 -1.642 12.494 -11.002 1.00 1.00 N ATOM 702 CA VAL A 46 -0.994 11.568 -10.082 1.00 1.00 C ATOM 703 C VAL A 46 0.524 11.738 -10.109 1.00 1.00 C ATOM 704 O VAL A 46 1.273 10.771 -9.981 1.00 1.00 O ATOM 705 CB VAL A 46 -1.369 10.119 -10.440 1.00 1.00 C ATOM 706 CG1 VAL A 46 -2.877 9.923 -10.276 1.00 1.00 C ATOM 707 CG2 VAL A 46 -0.980 9.826 -11.894 1.00 1.00 C ATOM 0 H VAL A 46 -2.056 12.052 -11.823 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.343 11.791 -9.074 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.835 9.439 -9.776 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -3.140 8.896 -10.530 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -3.160 10.125 -9.243 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -3.407 10.608 -10.938 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -1.248 8.799 -12.142 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.510 10.510 -12.557 1.00 1.00 H new ATOM 0 HG23 VAL A 46 0.095 9.961 -12.017 1.00 1.00 H new ATOM 717 N ASN A 47 0.975 12.977 -10.281 1.00 1.00 N ATOM 718 CA ASN A 47 2.397 13.264 -10.326 1.00 1.00 C ATOM 719 C ASN A 47 3.066 12.847 -9.031 1.00 1.00 C ATOM 720 O ASN A 47 4.267 12.579 -8.998 1.00 1.00 O ATOM 721 CB ASN A 47 2.624 14.758 -10.562 1.00 1.00 C ATOM 722 CG ASN A 47 1.875 15.211 -11.810 1.00 1.00 C ATOM 723 OD1 ASN A 47 2.039 14.626 -12.880 1.00 1.00 O ATOM 724 ND2 ASN A 47 1.055 16.224 -11.731 1.00 1.00 N ATOM 0 H ASN A 47 0.374 13.794 -10.391 1.00 1.00 H new ATOM 0 HA ASN A 47 2.835 12.697 -11.148 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.283 15.327 -9.697 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.689 14.958 -10.675 1.00 1.00 H new ATOM 0 HD21 ASN A 47 0.546 16.534 -12.559 1.00 1.00 H new ATOM 0 HD22 ASN A 47 0.923 16.705 -10.841 1.00 1.00 H new ATOM 731 N GLU A 48 2.278 12.789 -7.962 1.00 1.00 N ATOM 732 CA GLU A 48 2.805 12.404 -6.647 1.00 1.00 C ATOM 733 C GLU A 48 2.024 11.231 -6.100 1.00 1.00 C ATOM 734 O GLU A 48 2.594 10.196 -5.752 1.00 1.00 O ATOM 735 CB GLU A 48 2.699 13.595 -5.689 1.00 1.00 C ATOM 736 CG GLU A 48 3.619 14.718 -6.181 1.00 1.00 C ATOM 737 CD GLU A 48 3.524 15.936 -5.264 1.00 1.00 C ATOM 738 OE1 GLU A 48 2.791 15.871 -4.289 1.00 1.00 O ATOM 739 OE2 GLU A 48 4.189 16.918 -5.549 1.00 1.00 O ATOM 0 H GLU A 48 1.280 13.001 -7.974 1.00 1.00 H new ATOM 0 HA GLU A 48 3.850 12.112 -6.748 1.00 1.00 H new ATOM 0 HB2 GLU A 48 1.669 13.947 -5.640 1.00 1.00 H new ATOM 0 HB3 GLU A 48 2.981 13.293 -4.680 1.00 1.00 H new ATOM 0 HG2 GLU A 48 4.649 14.362 -6.215 1.00 1.00 H new ATOM 0 HG3 GLU A 48 3.345 15.000 -7.198 1.00 1.00 H new ATOM 746 N LEU A 49 0.708 11.388 -6.022 1.00 1.00 N ATOM 747 CA LEU A 49 -0.187 10.311 -5.489 1.00 1.00 C ATOM 748 C LEU A 49 0.458 8.926 -5.666 1.00 1.00 C ATOM 749 O LEU A 49 0.672 8.463 -6.787 1.00 1.00 O ATOM 750 CB LEU A 49 -1.551 10.327 -6.206 1.00 1.00 C ATOM 751 CG LEU A 49 -2.435 11.476 -5.693 1.00 1.00 C ATOM 752 CD1 LEU A 49 -1.774 12.839 -5.930 1.00 1.00 C ATOM 753 CD2 LEU A 49 -3.791 11.422 -6.412 1.00 1.00 C ATOM 0 H LEU A 49 0.219 12.235 -6.313 1.00 1.00 H new ATOM 0 HA LEU A 49 -0.336 10.505 -4.427 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.399 10.433 -7.280 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -2.059 9.376 -6.048 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.573 11.356 -4.618 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -2.425 13.629 -5.556 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -0.819 12.877 -5.405 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.607 12.982 -6.998 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -4.425 12.233 -6.054 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -3.638 11.527 -7.486 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -4.274 10.467 -6.206 1.00 1.00 H new ATOM 765 N PHE A 50 0.794 8.283 -4.554 1.00 1.00 N ATOM 766 CA PHE A 50 1.463 6.970 -4.601 1.00 1.00 C ATOM 767 C PHE A 50 0.956 6.041 -3.496 1.00 1.00 C ATOM 768 O PHE A 50 -0.002 6.341 -2.782 1.00 1.00 O ATOM 769 CB PHE A 50 3.004 7.180 -4.451 1.00 1.00 C ATOM 770 CG PHE A 50 3.765 6.236 -5.365 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.873 6.538 -6.729 1.00 1.00 C ATOM 772 CD2 PHE A 50 4.345 5.066 -4.860 1.00 1.00 C ATOM 773 CE1 PHE A 50 4.561 5.674 -7.585 1.00 1.00 C ATOM 774 CE2 PHE A 50 5.031 4.203 -5.719 1.00 1.00 C ATOM 775 CZ PHE A 50 5.140 4.507 -7.081 1.00 1.00 C ATOM 0 H PHE A 50 0.620 8.637 -3.613 1.00 1.00 H new ATOM 0 HA PHE A 50 1.237 6.500 -5.558 1.00 1.00 H new ATOM 0 HB2 PHE A 50 3.261 8.212 -4.691 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.300 7.010 -3.416 1.00 1.00 H new ATOM 0 HD1 PHE A 50 3.424 7.439 -7.119 1.00 1.00 H new ATOM 0 HD2 PHE A 50 4.262 4.831 -3.809 1.00 1.00 H new ATOM 0 HE1 PHE A 50 4.645 5.908 -8.636 1.00 1.00 H new ATOM 0 HE2 PHE A 50 5.478 3.300 -5.331 1.00 1.00 H new ATOM 0 HZ PHE A 50 5.672 3.839 -7.742 1.00 1.00 H new ATOM 785 N ALA A 51 1.630 4.903 -3.368 1.00 1.00 N ATOM 786 CA ALA A 51 1.289 3.909 -2.349 1.00 1.00 C ATOM 787 C ALA A 51 2.140 4.176 -1.117 1.00 1.00 C ATOM 788 O ALA A 51 3.196 4.808 -1.202 1.00 1.00 O ATOM 789 CB ALA A 51 1.574 2.490 -2.880 1.00 1.00 C ATOM 0 H ALA A 51 2.420 4.643 -3.959 1.00 1.00 H new ATOM 0 HA ALA A 51 0.230 3.980 -2.099 1.00 1.00 H new ATOM 0 HB1 ALA A 51 1.317 1.757 -2.115 1.00 1.00 H new ATOM 0 HB2 ALA A 51 0.975 2.308 -3.772 1.00 1.00 H new ATOM 0 HB3 ALA A 51 2.631 2.400 -3.128 1.00 1.00 H new ATOM 795 N TYR A 52 1.694 3.704 0.043 1.00 1.00 N ATOM 796 CA TYR A 52 2.461 3.933 1.270 1.00 1.00 C ATOM 797 C TYR A 52 2.202 2.860 2.306 1.00 1.00 C ATOM 798 O TYR A 52 1.182 2.173 2.299 1.00 1.00 O ATOM 799 CB TYR A 52 2.118 5.303 1.860 1.00 1.00 C ATOM 800 CG TYR A 52 2.427 6.383 0.840 1.00 1.00 C ATOM 801 CD1 TYR A 52 3.734 6.873 0.723 1.00 1.00 C ATOM 802 CD2 TYR A 52 1.417 6.889 0.007 1.00 1.00 C ATOM 803 CE1 TYR A 52 4.033 7.862 -0.222 1.00 1.00 C ATOM 804 CE2 TYR A 52 1.717 7.880 -0.937 1.00 1.00 C ATOM 805 CZ TYR A 52 3.025 8.366 -1.050 1.00 1.00 C ATOM 806 OH TYR A 52 3.322 9.343 -1.980 1.00 1.00 O ATOM 0 H TYR A 52 0.830 3.175 0.163 1.00 1.00 H new ATOM 0 HA TYR A 52 3.517 3.899 1.003 1.00 1.00 H new ATOM 0 HB2 TYR A 52 1.064 5.339 2.136 1.00 1.00 H new ATOM 0 HB3 TYR A 52 2.692 5.473 2.771 1.00 1.00 H new ATOM 0 HD1 TYR A 52 4.513 6.487 1.363 1.00 1.00 H new ATOM 0 HD2 TYR A 52 0.408 6.514 0.094 1.00 1.00 H new ATOM 0 HE1 TYR A 52 5.042 8.236 -0.311 1.00 1.00 H new ATOM 0 HE2 TYR A 52 0.939 8.269 -1.577 1.00 1.00 H new ATOM 0 HH TYR A 52 2.510 9.582 -2.474 1.00 1.00 H new ATOM 816 N VAL A 53 3.160 2.728 3.219 1.00 1.00 N ATOM 817 CA VAL A 53 3.067 1.751 4.302 1.00 1.00 C ATOM 818 C VAL A 53 3.624 2.362 5.583 1.00 1.00 C ATOM 819 O VAL A 53 4.557 3.164 5.553 1.00 1.00 O ATOM 820 CB VAL A 53 3.853 0.482 3.946 1.00 1.00 C ATOM 821 CG1 VAL A 53 3.224 -0.192 2.723 1.00 1.00 C ATOM 822 CG2 VAL A 53 5.310 0.838 3.632 1.00 1.00 C ATOM 0 H VAL A 53 4.013 3.287 3.231 1.00 1.00 H new ATOM 0 HA VAL A 53 2.021 1.482 4.450 1.00 1.00 H new ATOM 0 HB VAL A 53 3.822 -0.200 4.796 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.786 -1.092 2.475 1.00 1.00 H new ATOM 0 HG12 VAL A 53 2.191 -0.459 2.946 1.00 1.00 H new ATOM 0 HG13 VAL A 53 3.247 0.495 1.877 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.860 -0.069 3.381 1.00 1.00 H new ATOM 0 HG22 VAL A 53 5.342 1.528 2.789 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.765 1.309 4.503 1.00 1.00 H new ATOM 832 N ASP A 54 3.054 1.967 6.717 1.00 1.00 N ATOM 833 CA ASP A 54 3.503 2.483 8.023 1.00 1.00 C ATOM 834 C ASP A 54 4.081 1.362 8.871 1.00 1.00 C ATOM 835 O ASP A 54 3.357 0.521 9.404 1.00 1.00 O ATOM 836 CB ASP A 54 2.330 3.132 8.761 1.00 1.00 C ATOM 837 CG ASP A 54 1.213 2.119 8.971 1.00 1.00 C ATOM 838 OD1 ASP A 54 1.059 1.250 8.129 1.00 1.00 O ATOM 839 OD2 ASP A 54 0.527 2.229 9.973 1.00 1.00 O ATOM 0 H ASP A 54 2.286 1.297 6.768 1.00 1.00 H new ATOM 0 HA ASP A 54 4.279 3.228 7.850 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.666 3.518 9.723 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.957 3.982 8.189 1.00 1.00 H new ATOM 844 N LEU A 55 5.404 1.358 9.001 1.00 1.00 N ATOM 845 CA LEU A 55 6.112 0.336 9.787 1.00 1.00 C ATOM 846 C LEU A 55 6.575 0.922 11.116 1.00 1.00 C ATOM 847 O LEU A 55 7.617 0.539 11.648 1.00 1.00 O ATOM 848 CB LEU A 55 7.314 -0.183 8.976 1.00 1.00 C ATOM 849 CG LEU A 55 6.877 -0.518 7.533 1.00 1.00 C ATOM 850 CD1 LEU A 55 8.065 -1.108 6.761 1.00 1.00 C ATOM 851 CD2 LEU A 55 5.711 -1.529 7.537 1.00 1.00 C ATOM 0 H LEU A 55 6.016 2.052 8.572 1.00 1.00 H new ATOM 0 HA LEU A 55 5.438 -0.494 9.999 1.00 1.00 H new ATOM 0 HB2 LEU A 55 8.103 0.569 8.960 1.00 1.00 H new ATOM 0 HB3 LEU A 55 7.729 -1.071 9.454 1.00 1.00 H new ATOM 0 HG LEU A 55 6.541 0.399 7.049 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.756 -1.344 5.743 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.878 -0.383 6.734 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.406 -2.017 7.257 1.00 1.00 H new ATOM 0 HD21 LEU A 55 5.419 -1.751 6.511 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.028 -2.448 8.031 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.862 -1.103 8.072 1.00 1.00 H new ATOM 863 N SER A 56 5.788 1.854 11.644 1.00 1.00 N ATOM 864 CA SER A 56 6.101 2.510 12.913 1.00 1.00 C ATOM 865 C SER A 56 6.132 1.514 14.078 1.00 1.00 C ATOM 866 O SER A 56 6.228 1.913 15.239 1.00 1.00 O ATOM 867 CB SER A 56 5.064 3.596 13.199 1.00 1.00 C ATOM 868 OG SER A 56 3.794 2.988 13.400 1.00 1.00 O ATOM 0 H SER A 56 4.922 2.175 11.211 1.00 1.00 H new ATOM 0 HA SER A 56 7.094 2.951 12.823 1.00 1.00 H new ATOM 0 HB2 SER A 56 5.351 4.167 14.082 1.00 1.00 H new ATOM 0 HB3 SER A 56 5.017 4.299 12.367 1.00 1.00 H new ATOM 0 HG SER A 56 3.126 3.680 13.586 1.00 1.00 H new ATOM 874 N GLY A 57 6.059 0.222 13.777 1.00 1.00 N ATOM 875 CA GLY A 57 6.087 -0.825 14.809 1.00 1.00 C ATOM 876 C GLY A 57 7.522 -1.250 15.113 1.00 1.00 C ATOM 877 O GLY A 57 8.474 -0.602 14.680 1.00 1.00 O ATOM 0 H GLY A 57 5.979 -0.133 12.824 1.00 1.00 H new ATOM 0 HA2 GLY A 57 5.611 -0.458 15.719 1.00 1.00 H new ATOM 0 HA3 GLY A 57 5.511 -1.688 14.474 1.00 1.00 H new ATOM 881 N SER A 58 7.669 -2.344 15.854 1.00 1.00 N ATOM 882 CA SER A 58 8.996 -2.854 16.213 1.00 1.00 C ATOM 883 C SER A 58 8.929 -4.307 16.676 1.00 1.00 C ATOM 884 O SER A 58 9.011 -4.605 17.867 1.00 1.00 O ATOM 885 CB SER A 58 9.599 -1.994 17.322 1.00 1.00 C ATOM 886 OG SER A 58 8.759 -2.050 18.467 1.00 1.00 O ATOM 0 H SER A 58 6.892 -2.895 16.218 1.00 1.00 H new ATOM 0 HA SER A 58 9.624 -2.807 15.324 1.00 1.00 H new ATOM 0 HB2 SER A 58 10.598 -2.350 17.572 1.00 1.00 H new ATOM 0 HB3 SER A 58 9.703 -0.963 16.983 1.00 1.00 H new ATOM 0 HG SER A 58 8.568 -2.986 18.687 1.00 1.00 H new ATOM 892 N GLU A 59 8.791 -5.217 15.717 1.00 1.00 N ATOM 893 CA GLU A 59 8.718 -6.657 16.015 1.00 1.00 C ATOM 894 C GLU A 59 9.550 -7.463 15.000 1.00 1.00 C ATOM 895 O GLU A 59 9.012 -7.918 13.991 1.00 1.00 O ATOM 896 CB GLU A 59 7.250 -7.107 15.958 1.00 1.00 C ATOM 897 CG GLU A 59 6.438 -6.321 17.000 1.00 1.00 C ATOM 898 CD GLU A 59 5.025 -6.883 17.109 1.00 1.00 C ATOM 899 OE1 GLU A 59 4.896 -8.085 17.278 1.00 1.00 O ATOM 900 OE2 GLU A 59 4.091 -6.102 17.030 1.00 1.00 O ATOM 0 H GLU A 59 8.727 -4.990 14.725 1.00 1.00 H new ATOM 0 HA GLU A 59 9.123 -6.836 17.011 1.00 1.00 H new ATOM 0 HB2 GLU A 59 6.844 -6.938 14.961 1.00 1.00 H new ATOM 0 HB3 GLU A 59 7.177 -8.177 16.155 1.00 1.00 H new ATOM 0 HG2 GLU A 59 6.932 -6.373 17.970 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.397 -5.269 16.719 1.00 1.00 H new ATOM 907 N PRO A 60 10.816 -7.668 15.239 1.00 1.00 N ATOM 908 CA PRO A 60 11.697 -8.445 14.300 1.00 1.00 C ATOM 909 C PRO A 60 11.072 -9.770 13.862 1.00 1.00 C ATOM 910 O PRO A 60 10.971 -10.718 14.640 1.00 1.00 O ATOM 911 CB PRO A 60 12.979 -8.683 15.125 1.00 1.00 C ATOM 912 CG PRO A 60 13.046 -7.512 16.060 1.00 1.00 C ATOM 913 CD PRO A 60 11.583 -7.193 16.418 1.00 1.00 C ATOM 0 HA PRO A 60 11.872 -7.907 13.368 1.00 1.00 H new ATOM 0 HB2 PRO A 60 12.930 -9.625 15.671 1.00 1.00 H new ATOM 0 HB3 PRO A 60 13.860 -8.731 14.485 1.00 1.00 H new ATOM 0 HG2 PRO A 60 13.625 -7.753 16.951 1.00 1.00 H new ATOM 0 HG3 PRO A 60 13.530 -6.658 15.586 1.00 1.00 H new ATOM 0 HD2 PRO A 60 11.274 -7.705 17.329 1.00 1.00 H new ATOM 0 HD3 PRO A 60 11.436 -6.126 16.587 1.00 1.00 H new ATOM 921 N GLY A 61 10.659 -9.839 12.600 1.00 1.00 N ATOM 922 CA GLY A 61 10.046 -11.053 12.043 1.00 1.00 C ATOM 923 C GLY A 61 8.848 -10.691 11.176 1.00 1.00 C ATOM 924 O GLY A 61 8.668 -9.535 10.794 1.00 1.00 O ATOM 0 H GLY A 61 10.736 -9.068 11.937 1.00 1.00 H new ATOM 0 HA2 GLY A 61 10.780 -11.600 11.451 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.732 -11.714 12.851 1.00 1.00 H new ATOM 928 N GLU A 62 8.019 -11.680 10.859 1.00 1.00 N ATOM 929 CA GLU A 62 6.827 -11.455 10.041 1.00 1.00 C ATOM 930 C GLU A 62 5.788 -10.694 10.850 1.00 1.00 C ATOM 931 O GLU A 62 5.638 -10.929 12.050 1.00 1.00 O ATOM 932 CB GLU A 62 6.259 -12.803 9.543 1.00 1.00 C ATOM 933 CG GLU A 62 5.627 -13.619 10.691 1.00 1.00 C ATOM 934 CD GLU A 62 6.644 -13.860 11.802 1.00 1.00 C ATOM 935 OE1 GLU A 62 7.747 -14.277 11.490 1.00 1.00 O ATOM 936 OE2 GLU A 62 6.303 -13.626 12.950 1.00 1.00 O ATOM 0 H GLU A 62 8.149 -12.647 11.155 1.00 1.00 H new ATOM 0 HA GLU A 62 7.095 -10.859 9.169 1.00 1.00 H new ATOM 0 HB2 GLU A 62 5.510 -12.619 8.773 1.00 1.00 H new ATOM 0 HB3 GLU A 62 7.056 -13.384 9.080 1.00 1.00 H new ATOM 0 HG2 GLU A 62 4.764 -13.087 11.090 1.00 1.00 H new ATOM 0 HG3 GLU A 62 5.264 -14.573 10.309 1.00 1.00 H new ATOM 943 N HIS A 63 5.062 -9.787 10.203 1.00 1.00 N ATOM 944 CA HIS A 63 4.051 -9.006 10.920 1.00 1.00 C ATOM 945 C HIS A 63 3.028 -8.374 9.980 1.00 1.00 C ATOM 946 O HIS A 63 3.396 -7.636 9.066 1.00 1.00 O ATOM 947 CB HIS A 63 4.758 -7.902 11.719 1.00 1.00 C ATOM 948 CG HIS A 63 3.767 -7.166 12.578 1.00 1.00 C ATOM 949 ND1 HIS A 63 2.949 -6.167 12.073 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.461 -7.262 13.912 1.00 1.00 C ATOM 951 CE1 HIS A 63 2.198 -5.705 13.088 1.00 1.00 C ATOM 952 NE2 HIS A 63 2.470 -6.339 14.232 1.00 1.00 N ATOM 0 H HIS A 63 5.148 -9.575 9.209 1.00 1.00 H new ATOM 0 HA HIS A 63 3.509 -9.683 11.580 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.538 -8.338 12.343 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.247 -7.206 11.037 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.919 -7.949 14.608 1.00 1.00 H new ATOM 0 HE1 HIS A 63 1.465 -4.918 12.990 1.00 1.00 H new ATOM 0 HE2 HIS A 63 2.043 -6.180 15.145 1.00 1.00 H new ATOM 961 N ASP A 64 1.748 -8.626 10.234 1.00 1.00 N ATOM 962 CA ASP A 64 0.685 -8.042 9.418 1.00 1.00 C ATOM 963 C ASP A 64 0.497 -6.580 9.826 1.00 1.00 C ATOM 964 O ASP A 64 0.156 -6.270 10.967 1.00 1.00 O ATOM 965 CB ASP A 64 -0.620 -8.815 9.645 1.00 1.00 C ATOM 966 CG ASP A 64 -0.515 -10.225 9.062 1.00 1.00 C ATOM 967 OD1 ASP A 64 0.373 -10.452 8.256 1.00 1.00 O ATOM 968 OD2 ASP A 64 -1.330 -11.057 9.427 1.00 1.00 O ATOM 0 H ASP A 64 1.421 -9.226 10.992 1.00 1.00 H new ATOM 0 HA ASP A 64 0.952 -8.099 8.363 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.835 -8.871 10.712 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -1.450 -8.284 9.180 1.00 1.00 H new ATOM 973 N TYR A 65 0.742 -5.667 8.892 1.00 1.00 N ATOM 974 CA TYR A 65 0.628 -4.222 9.163 1.00 1.00 C ATOM 975 C TYR A 65 -0.754 -3.675 8.773 1.00 1.00 C ATOM 976 O TYR A 65 -1.776 -4.141 9.276 1.00 1.00 O ATOM 977 CB TYR A 65 1.741 -3.467 8.410 1.00 1.00 C ATOM 978 CG TYR A 65 3.096 -3.883 8.952 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.724 -5.031 8.459 1.00 1.00 C ATOM 980 CD2 TYR A 65 3.721 -3.121 9.953 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.969 -5.420 8.961 1.00 1.00 C ATOM 982 CE2 TYR A 65 4.968 -3.509 10.455 1.00 1.00 C ATOM 983 CZ TYR A 65 5.591 -4.660 9.959 1.00 1.00 C ATOM 984 OH TYR A 65 6.822 -5.043 10.452 1.00 1.00 O ATOM 0 H TYR A 65 1.021 -5.893 7.937 1.00 1.00 H new ATOM 0 HA TYR A 65 0.744 -4.067 10.236 1.00 1.00 H new ATOM 0 HB2 TYR A 65 1.683 -3.683 7.343 1.00 1.00 H new ATOM 0 HB3 TYR A 65 1.607 -2.391 8.525 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.246 -5.618 7.689 1.00 1.00 H new ATOM 0 HD2 TYR A 65 3.238 -2.234 10.336 1.00 1.00 H new ATOM 0 HE1 TYR A 65 5.452 -6.307 8.579 1.00 1.00 H new ATOM 0 HE2 TYR A 65 5.449 -2.922 11.223 1.00 1.00 H new ATOM 0 HH TYR A 65 7.324 -5.510 9.752 1.00 1.00 H new ATOM 994 N GLU A 66 -0.764 -2.678 7.896 1.00 1.00 N ATOM 995 CA GLU A 66 -2.015 -2.053 7.463 1.00 1.00 C ATOM 996 C GLU A 66 -1.819 -1.308 6.146 1.00 1.00 C ATOM 997 O GLU A 66 -0.888 -0.516 5.995 1.00 1.00 O ATOM 998 CB GLU A 66 -2.488 -1.079 8.551 1.00 1.00 C ATOM 999 CG GLU A 66 -3.861 -0.499 8.191 1.00 1.00 C ATOM 1000 CD GLU A 66 -4.378 0.378 9.333 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -3.846 0.273 10.428 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -5.300 1.140 9.097 1.00 1.00 O ATOM 0 H GLU A 66 0.075 -2.284 7.470 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.766 -2.827 7.306 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.544 -1.595 9.510 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -1.764 -0.272 8.665 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -3.787 0.088 7.276 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -4.566 -1.307 7.995 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.710 -1.563 5.194 1.00 1.00 N ATOM 1010 CA VAL A 67 -2.641 -0.914 3.879 1.00 1.00 C ATOM 1011 C VAL A 67 -3.498 0.348 3.871 1.00 1.00 C ATOM 1012 O VAL A 67 -4.719 0.289 4.015 1.00 1.00 O ATOM 1013 CB VAL A 67 -3.140 -1.880 2.801 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -3.002 -1.236 1.413 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -2.306 -3.163 2.851 1.00 1.00 C ATOM 0 H VAL A 67 -3.489 -2.212 5.303 1.00 1.00 H new ATOM 0 HA VAL A 67 -1.606 -0.642 3.673 1.00 1.00 H new ATOM 0 HB VAL A 67 -4.189 -2.112 2.983 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -3.359 -1.930 0.653 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.594 -0.321 1.376 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -1.955 -0.999 1.224 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.657 -3.855 2.085 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.258 -2.923 2.671 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -2.409 -3.626 3.833 1.00 1.00 H new ATOM 1025 N LYS A 68 -2.860 1.501 3.700 1.00 1.00 N ATOM 1026 CA LYS A 68 -3.565 2.787 3.669 1.00 1.00 C ATOM 1027 C LYS A 68 -2.936 3.716 2.635 1.00 1.00 C ATOM 1028 O LYS A 68 -1.745 3.633 2.328 1.00 1.00 O ATOM 1029 CB LYS A 68 -3.531 3.434 5.062 1.00 1.00 C ATOM 1030 CG LYS A 68 -2.084 3.536 5.562 1.00 1.00 C ATOM 1031 CD LYS A 68 -2.046 4.286 6.906 1.00 1.00 C ATOM 1032 CE LYS A 68 -2.804 3.498 8.009 1.00 1.00 C ATOM 1033 NZ LYS A 68 -4.249 3.863 7.968 1.00 1.00 N ATOM 0 H LYS A 68 -1.850 1.576 3.580 1.00 1.00 H new ATOM 0 HA LYS A 68 -4.603 2.613 3.385 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -3.981 4.426 5.022 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -4.124 2.843 5.760 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -1.660 2.539 5.680 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -1.472 4.058 4.827 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -1.011 4.439 7.211 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -2.493 5.273 6.788 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -2.683 2.426 7.855 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -2.386 3.728 8.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -4.546 4.211 8.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -4.399 4.608 7.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -4.812 3.026 7.716 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.746 4.617 2.087 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.268 5.569 1.066 1.00 1.00 C ATOM 1049 C VAL A 69 -3.762 6.981 1.355 1.00 1.00 C ATOM 1050 O VAL A 69 -4.766 7.182 2.038 1.00 1.00 O ATOM 1051 CB VAL A 69 -3.761 5.114 -0.316 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -3.187 6.024 -1.419 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -3.307 3.668 -0.558 1.00 1.00 C ATOM 0 H VAL A 69 -4.733 4.715 2.325 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.178 5.585 1.086 1.00 1.00 H new ATOM 0 HB VAL A 69 -4.849 5.175 -0.345 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.546 5.688 -2.392 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.510 7.051 -1.248 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.098 5.978 -1.399 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -3.653 3.337 -1.537 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -2.219 3.617 -0.521 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -3.726 3.021 0.213 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.047 7.961 0.813 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.402 9.360 1.015 1.00 1.00 C ATOM 1065 C GLU A 70 -4.832 9.635 0.518 1.00 1.00 C ATOM 1066 O GLU A 70 -5.270 9.008 -0.447 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.409 10.262 0.266 1.00 1.00 C ATOM 1068 CG GLU A 70 -2.303 9.813 -1.192 1.00 1.00 C ATOM 1069 CD GLU A 70 -1.337 10.725 -1.939 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -1.774 11.762 -2.408 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -0.171 10.376 -2.022 1.00 1.00 O ATOM 0 H GLU A 70 -2.221 7.813 0.233 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.358 9.578 2.082 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -2.738 11.300 0.314 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -1.430 10.216 0.743 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.956 8.781 -1.241 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.285 9.842 -1.664 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.557 10.530 1.129 1.00 1.00 N ATOM 1079 CA PRO A 71 -6.951 10.848 0.694 1.00 1.00 C ATOM 1080 C PRO A 71 -6.987 11.665 -0.610 1.00 1.00 C ATOM 1081 O PRO A 71 -6.006 12.278 -1.031 1.00 1.00 O ATOM 1082 CB PRO A 71 -7.523 11.642 1.891 1.00 1.00 C ATOM 1083 CG PRO A 71 -6.325 12.355 2.446 1.00 1.00 C ATOM 1084 CD PRO A 71 -5.165 11.356 2.301 1.00 1.00 C ATOM 0 HA PRO A 71 -7.530 9.955 0.460 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -8.296 12.343 1.575 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -7.975 10.982 2.631 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -6.124 13.275 1.897 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -6.479 12.633 3.489 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -4.216 11.866 2.133 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -5.046 10.748 3.198 1.00 1.00 H new ATOM 1092 N ILE A 72 -8.152 11.666 -1.247 1.00 1.00 N ATOM 1093 CA ILE A 72 -8.347 12.409 -2.512 1.00 1.00 C ATOM 1094 C ILE A 72 -9.668 13.215 -2.470 1.00 1.00 C ATOM 1095 O ILE A 72 -10.736 12.641 -2.680 1.00 1.00 O ATOM 1096 CB ILE A 72 -8.374 11.425 -3.707 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -7.050 10.572 -3.747 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -8.489 12.243 -5.016 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -7.221 9.238 -3.014 1.00 1.00 C ATOM 0 H ILE A 72 -8.979 11.167 -0.920 1.00 1.00 H new ATOM 0 HA ILE A 72 -7.516 13.103 -2.636 1.00 1.00 H new ATOM 0 HB ILE A 72 -9.223 10.750 -3.599 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -6.767 10.386 -4.783 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.237 11.138 -3.291 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -8.509 11.564 -5.869 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -9.407 12.831 -4.998 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.632 12.911 -5.104 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -6.289 8.675 -3.061 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.479 9.426 -1.972 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -8.017 8.662 -3.487 1.00 1.00 H new ATOM 1111 N PRO A 73 -9.629 14.498 -2.232 1.00 1.00 N ATOM 1112 CA PRO A 73 -10.884 15.323 -2.191 1.00 1.00 C ATOM 1113 C PRO A 73 -11.789 15.106 -3.418 1.00 1.00 C ATOM 1114 O PRO A 73 -11.328 14.986 -4.553 1.00 1.00 O ATOM 1115 CB PRO A 73 -10.367 16.783 -2.137 1.00 1.00 C ATOM 1116 CG PRO A 73 -9.002 16.686 -1.510 1.00 1.00 C ATOM 1117 CD PRO A 73 -8.428 15.330 -1.959 1.00 1.00 C ATOM 0 HA PRO A 73 -11.510 15.052 -1.341 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -10.314 17.221 -3.134 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -11.029 17.415 -1.546 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -8.363 17.507 -1.835 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -9.066 16.743 -0.423 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -7.806 15.435 -2.848 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -7.803 14.886 -1.184 1.00 1.00 H new ATOM 1125 N ASN A 74 -13.096 15.063 -3.178 1.00 1.00 N ATOM 1126 CA ASN A 74 -14.111 14.878 -4.229 1.00 1.00 C ATOM 1127 C ASN A 74 -14.219 13.409 -4.646 1.00 1.00 C ATOM 1128 O ASN A 74 -15.149 13.012 -5.347 1.00 1.00 O ATOM 1129 CB ASN A 74 -13.809 15.761 -5.464 1.00 1.00 C ATOM 1130 CG ASN A 74 -13.280 17.118 -5.011 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -13.622 17.587 -3.842 1.00 1.00 O flip ATOM 1132 ND2 ASN A 74 -12.533 17.768 -5.743 1.00 1.00 N flip ATOM 0 H ASN A 74 -13.492 15.156 -2.242 1.00 1.00 H new ATOM 0 HA ASN A 74 -15.068 15.188 -3.810 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -13.076 15.270 -6.104 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -14.713 15.893 -6.058 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -12.267 17.400 -6.656 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -12.180 18.675 -5.436 1.00 1.00 H new ATOM 1139 N ILE A 75 -13.264 12.592 -4.215 1.00 1.00 N ATOM 1140 CA ILE A 75 -13.253 11.150 -4.541 1.00 1.00 C ATOM 1141 C ILE A 75 -13.158 10.329 -3.265 1.00 1.00 C ATOM 1142 O ILE A 75 -12.641 10.768 -2.238 1.00 1.00 O ATOM 1143 CB ILE A 75 -12.078 10.819 -5.480 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -12.263 11.562 -6.831 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -11.966 9.296 -5.718 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -13.566 11.154 -7.566 1.00 1.00 C ATOM 0 H ILE A 75 -12.480 12.895 -3.637 1.00 1.00 H new ATOM 0 HA ILE A 75 -14.182 10.900 -5.052 1.00 1.00 H new ATOM 0 HB ILE A 75 -11.154 11.152 -5.007 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -12.274 12.637 -6.651 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -11.408 11.355 -7.475 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -11.128 9.093 -6.385 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -11.804 8.790 -4.766 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -12.887 8.930 -6.171 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -13.643 11.705 -8.504 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -13.547 10.084 -7.774 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -14.426 11.386 -6.938 1.00 1.00 H new ATOM 1158 N LYS A 76 -13.680 9.108 -3.335 1.00 1.00 N ATOM 1159 CA LYS A 76 -13.688 8.185 -2.187 1.00 1.00 C ATOM 1160 C LYS A 76 -12.954 6.880 -2.533 1.00 1.00 C ATOM 1161 O LYS A 76 -12.784 6.498 -3.692 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.173 7.899 -1.750 1.00 1.00 C ATOM 1163 CG LYS A 76 -15.467 8.415 -0.319 1.00 1.00 C ATOM 1164 CD LYS A 76 -14.764 7.530 0.726 1.00 1.00 C ATOM 1165 CE LYS A 76 -15.087 8.046 2.126 1.00 1.00 C ATOM 1166 NZ LYS A 76 -14.337 7.246 3.132 1.00 1.00 N ATOM 0 H LYS A 76 -14.108 8.726 -4.178 1.00 1.00 H new ATOM 0 HA LYS A 76 -13.160 8.649 -1.354 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -15.856 8.374 -2.454 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -15.364 6.827 -1.795 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.126 9.446 -0.220 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -16.542 8.416 -0.140 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -15.092 6.496 0.623 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -13.686 7.540 0.562 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -14.818 9.099 2.209 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -16.158 7.975 2.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -14.556 7.596 4.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -14.615 6.246 3.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -13.316 7.336 2.956 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.515 6.186 -1.489 1.00 1.00 N ATOM 1181 CA ILE A 77 -11.793 4.916 -1.637 1.00 1.00 C ATOM 1182 C ILE A 77 -12.748 3.749 -1.410 1.00 1.00 C ATOM 1183 O ILE A 77 -12.987 3.332 -0.276 1.00 1.00 O ATOM 1184 CB ILE A 77 -10.632 4.873 -0.616 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -9.834 3.563 -0.803 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.159 4.981 0.856 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.558 3.608 0.045 1.00 1.00 C ATOM 0 H ILE A 77 -12.645 6.480 -0.521 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.386 4.836 -2.645 1.00 1.00 H new ATOM 0 HB ILE A 77 -9.982 5.729 -0.796 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.445 2.709 -0.512 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -9.579 3.429 -1.854 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.317 4.948 1.547 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -11.695 5.922 0.982 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -11.832 4.149 1.063 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -7.999 2.682 -0.090 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -7.943 4.452 -0.267 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -8.823 3.721 1.096 1.00 1.00 H new ATOM 1199 N VAL A 78 -13.291 3.199 -2.491 1.00 1.00 N ATOM 1200 CA VAL A 78 -14.231 2.078 -2.404 1.00 1.00 C ATOM 1201 C VAL A 78 -13.731 1.024 -1.422 1.00 1.00 C ATOM 1202 O VAL A 78 -14.438 0.639 -0.491 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.417 1.458 -3.796 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.406 0.284 -3.737 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -14.959 2.526 -4.745 1.00 1.00 C ATOM 0 H VAL A 78 -13.098 3.510 -3.443 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.189 2.451 -2.040 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.456 1.087 -4.151 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.525 -0.142 -4.733 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -15.025 -0.479 -3.059 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.372 0.639 -3.377 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.095 2.096 -5.737 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.917 2.891 -4.373 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.253 3.354 -4.802 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.501 0.550 -1.603 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.939 -0.448 -0.698 1.00 1.00 C ATOM 1217 C GLU A 79 -10.435 -0.601 -0.934 1.00 1.00 C ATOM 1218 O GLU A 79 -9.731 0.355 -1.259 1.00 1.00 O ATOM 1219 CB GLU A 79 -12.673 -1.813 -0.880 1.00 1.00 C ATOM 1220 CG GLU A 79 -12.672 -2.615 0.445 1.00 1.00 C ATOM 1221 CD GLU A 79 -13.643 -1.989 1.449 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -14.592 -1.356 1.016 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -13.427 -2.163 2.637 1.00 1.00 O ATOM 0 H GLU A 79 -11.880 0.837 -2.360 1.00 1.00 H new ATOM 0 HA GLU A 79 -12.086 -0.113 0.329 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -13.699 -1.640 -1.205 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -12.184 -2.393 -1.663 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -12.956 -3.649 0.251 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -11.666 -2.634 0.865 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.941 -1.823 -0.758 1.00 1.00 N ATOM 1231 CA ILE A 80 -8.517 -2.115 -0.939 1.00 1.00 C ATOM 1232 C ILE A 80 -8.356 -3.558 -1.442 1.00 1.00 C ATOM 1233 O ILE A 80 -9.227 -4.406 -1.248 1.00 1.00 O ATOM 1234 CB ILE A 80 -7.738 -1.921 0.405 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -8.398 -0.812 1.263 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -6.262 -1.525 0.124 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -7.630 -0.640 2.582 1.00 1.00 C ATOM 0 H ILE A 80 -10.504 -2.630 -0.490 1.00 1.00 H new ATOM 0 HA ILE A 80 -8.102 -1.424 -1.673 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.768 -2.866 0.947 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -8.406 0.129 0.712 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -9.437 -1.070 1.469 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -5.734 -1.394 1.069 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -5.778 -2.311 -0.456 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -6.236 -0.592 -0.438 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -8.101 0.141 3.178 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -7.645 -1.578 3.137 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -6.598 -0.361 2.369 1.00 1.00 H new ATOM 1249 N SER A 81 -7.232 -3.844 -2.091 1.00 1.00 N ATOM 1250 CA SER A 81 -6.995 -5.206 -2.597 1.00 1.00 C ATOM 1251 C SER A 81 -5.505 -5.438 -2.935 1.00 1.00 C ATOM 1252 O SER A 81 -5.071 -5.001 -4.000 1.00 1.00 O ATOM 1253 CB SER A 81 -7.822 -5.424 -3.862 1.00 1.00 C ATOM 1254 OG SER A 81 -7.606 -6.752 -4.334 1.00 1.00 O ATOM 0 H SER A 81 -6.484 -3.176 -2.279 1.00 1.00 H new ATOM 0 HA SER A 81 -7.286 -5.908 -1.816 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.880 -5.266 -3.652 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.538 -4.701 -4.627 1.00 1.00 H new ATOM 0 HG SER A 81 -8.135 -6.901 -5.146 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.739 -6.092 -2.105 1.00 1.00 N ATOM 1261 CA PRO A 82 -5.159 -6.676 -0.776 1.00 1.00 C ATOM 1262 C PRO A 82 -5.587 -5.580 0.206 1.00 1.00 C ATOM 1263 O PRO A 82 -5.805 -4.423 -0.157 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.890 -7.427 -0.267 1.00 1.00 C ATOM 1265 CG PRO A 82 -3.018 -7.582 -1.485 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.308 -6.353 -2.353 1.00 1.00 C ATOM 0 HA PRO A 82 -6.022 -7.335 -0.869 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -3.382 -6.860 0.513 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -4.149 -8.396 0.160 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -1.964 -7.629 -1.210 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -3.250 -8.504 -2.019 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.689 -5.503 -2.067 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.112 -6.550 -3.407 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.703 -5.950 1.477 1.00 1.00 N ATOM 1275 CA ARG A 83 -6.093 -5.003 2.543 1.00 1.00 C ATOM 1276 C ARG A 83 -5.108 -5.105 3.699 1.00 1.00 C ATOM 1277 O ARG A 83 -5.002 -4.206 4.534 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.533 -5.298 3.015 1.00 1.00 C ATOM 1279 CG ARG A 83 -7.767 -6.811 3.061 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.155 -7.108 3.621 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.411 -8.540 3.526 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.414 -9.117 4.185 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.181 -8.403 4.965 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -10.622 -10.399 4.057 1.00 1.00 N ATOM 0 H ARG A 83 -5.534 -6.901 1.806 1.00 1.00 H new ATOM 0 HA ARG A 83 -6.068 -3.985 2.153 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.697 -4.866 4.002 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.249 -4.831 2.339 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -7.672 -7.233 2.060 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -7.007 -7.286 3.681 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.219 -6.783 4.659 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.911 -6.553 3.066 1.00 1.00 H new ATOM 0 HE ARG A 83 -8.806 -9.115 2.940 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.012 -7.403 5.070 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -11.949 -8.846 5.469 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -10.017 -10.956 3.454 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.389 -10.844 4.560 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.368 -6.208 3.749 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.368 -6.443 4.787 1.00 1.00 C ATOM 1300 C VAL A 84 -2.171 -7.155 4.167 1.00 1.00 C ATOM 1301 O VAL A 84 -2.329 -8.096 3.390 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.972 -7.301 5.907 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.931 -7.527 7.014 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -5.200 -6.586 6.498 1.00 1.00 C ATOM 0 H VAL A 84 -4.444 -6.966 3.070 1.00 1.00 H new ATOM 0 HA VAL A 84 -3.046 -5.493 5.213 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.272 -8.264 5.495 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -3.368 -8.137 7.805 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -2.063 -8.039 6.598 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.623 -6.566 7.425 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.628 -7.196 7.293 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.898 -5.620 6.904 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.944 -6.435 5.716 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.966 -6.711 4.510 1.00 1.00 N ATOM 1315 CA VAL A 85 0.265 -7.320 3.964 1.00 1.00 C ATOM 1316 C VAL A 85 1.261 -7.648 5.071 1.00 1.00 C ATOM 1317 O VAL A 85 1.370 -6.945 6.076 1.00 1.00 O ATOM 1318 CB VAL A 85 0.913 -6.378 2.938 1.00 1.00 C ATOM 1319 CG1 VAL A 85 -0.044 -6.166 1.761 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.225 -5.025 3.580 1.00 1.00 C ATOM 0 H VAL A 85 -0.805 -5.939 5.157 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.014 -8.252 3.472 1.00 1.00 H new ATOM 0 HB VAL A 85 1.841 -6.829 2.587 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.416 -5.498 1.034 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -0.258 -7.125 1.289 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -0.973 -5.725 2.122 1.00 1.00 H new ATOM 0 HG21 VAL A 85 1.684 -4.369 2.841 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.302 -4.573 3.943 1.00 1.00 H new ATOM 0 HG23 VAL A 85 1.912 -5.168 4.414 1.00 1.00 H new ATOM 1330 N THR A 86 1.998 -8.735 4.862 1.00 1.00 N ATOM 1331 CA THR A 86 3.007 -9.206 5.822 1.00 1.00 C ATOM 1332 C THR A 86 4.411 -8.919 5.304 1.00 1.00 C ATOM 1333 O THR A 86 4.744 -9.209 4.155 1.00 1.00 O ATOM 1334 CB THR A 86 2.838 -10.718 6.050 1.00 1.00 C ATOM 1335 OG1 THR A 86 3.764 -11.147 7.039 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.091 -11.499 4.747 1.00 1.00 C ATOM 0 H THR A 86 1.918 -9.316 4.028 1.00 1.00 H new ATOM 0 HA THR A 86 2.867 -8.677 6.765 1.00 1.00 H new ATOM 0 HB THR A 86 1.817 -10.910 6.379 1.00 1.00 H new ATOM 0 HG1 THR A 86 3.659 -12.110 7.189 1.00 1.00 H new ATOM 0 HG21 THR A 86 2.966 -12.566 4.932 1.00 1.00 H new ATOM 0 HG22 THR A 86 2.380 -11.177 3.986 1.00 1.00 H new ATOM 0 HG23 THR A 86 4.106 -11.308 4.399 1.00 1.00 H new ATOM 1344 N LEU A 87 5.242 -8.347 6.171 1.00 1.00 N ATOM 1345 CA LEU A 87 6.631 -8.010 5.806 1.00 1.00 C ATOM 1346 C LEU A 87 7.585 -8.453 6.912 1.00 1.00 C ATOM 1347 O LEU A 87 7.419 -8.091 8.077 1.00 1.00 O ATOM 1348 CB LEU A 87 6.768 -6.491 5.582 1.00 1.00 C ATOM 1349 CG LEU A 87 5.730 -5.977 4.546 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.710 -4.445 4.563 1.00 1.00 C ATOM 1351 CD2 LEU A 87 6.098 -6.438 3.123 1.00 1.00 C ATOM 0 H LEU A 87 4.988 -8.105 7.129 1.00 1.00 H new ATOM 0 HA LEU A 87 6.885 -8.531 4.883 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.630 -5.968 6.528 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.776 -6.262 5.235 1.00 1.00 H new ATOM 0 HG LEU A 87 4.754 -6.381 4.815 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.982 -4.083 3.837 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.434 -4.096 5.558 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.699 -4.065 4.306 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.356 -6.065 2.417 1.00 1.00 H new ATOM 0 HD22 LEU A 87 7.080 -6.048 2.857 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.118 -7.527 3.087 1.00 1.00 H new ATOM 1363 N GLN A 88 8.591 -9.234 6.536 1.00 1.00 N ATOM 1364 CA GLN A 88 9.577 -9.729 7.503 1.00 1.00 C ATOM 1365 C GLN A 88 10.764 -8.776 7.590 1.00 1.00 C ATOM 1366 O GLN A 88 11.429 -8.504 6.591 1.00 1.00 O ATOM 1367 CB GLN A 88 10.059 -11.124 7.082 1.00 1.00 C ATOM 1368 CG GLN A 88 10.962 -11.717 8.172 1.00 1.00 C ATOM 1369 CD GLN A 88 11.418 -13.116 7.775 1.00 1.00 C ATOM 1370 OE1 GLN A 88 12.079 -13.288 6.750 1.00 1.00 O ATOM 1371 NE2 GLN A 88 11.105 -14.132 8.534 1.00 1.00 N ATOM 0 H GLN A 88 8.749 -9.539 5.576 1.00 1.00 H new ATOM 0 HA GLN A 88 9.106 -9.789 8.484 1.00 1.00 H new ATOM 0 HB2 GLN A 88 9.203 -11.777 6.911 1.00 1.00 H new ATOM 0 HB3 GLN A 88 10.605 -11.061 6.140 1.00 1.00 H new ATOM 0 HG2 GLN A 88 11.829 -11.074 8.326 1.00 1.00 H new ATOM 0 HG3 GLN A 88 10.423 -11.757 9.119 1.00 1.00 H new ATOM 0 HE21 GLN A 88 10.557 -13.985 9.382 1.00 1.00 H new ATOM 0 HE22 GLN A 88 11.408 -15.072 8.279 1.00 1.00 H new ATOM 1380 N LEU A 89 11.027 -8.273 8.792 1.00 1.00 N ATOM 1381 CA LEU A 89 12.141 -7.346 9.016 1.00 1.00 C ATOM 1382 C LEU A 89 13.378 -8.116 9.451 1.00 1.00 C ATOM 1383 O LEU A 89 13.300 -9.074 10.221 1.00 1.00 O ATOM 1384 CB LEU A 89 11.771 -6.323 10.101 1.00 1.00 C ATOM 1385 CG LEU A 89 10.400 -5.695 9.810 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.131 -4.597 10.846 1.00 1.00 C ATOM 1387 CD2 LEU A 89 10.352 -5.094 8.391 1.00 1.00 C ATOM 0 H LEU A 89 10.486 -8.489 9.629 1.00 1.00 H new ATOM 0 HA LEU A 89 12.349 -6.821 8.084 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.754 -6.810 11.076 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.531 -5.543 10.147 1.00 1.00 H new ATOM 0 HG LEU A 89 9.637 -6.471 9.871 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.160 -4.142 10.651 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.134 -5.031 11.846 1.00 1.00 H new ATOM 0 HD13 LEU A 89 10.908 -3.835 10.779 1.00 1.00 H new ATOM 0 HD21 LEU A 89 9.369 -4.657 8.214 1.00 1.00 H new ATOM 0 HD22 LEU A 89 11.115 -4.321 8.297 1.00 1.00 H new ATOM 0 HD23 LEU A 89 10.538 -5.878 7.657 1.00 1.00 H new ATOM 1399 N GLU A 90 14.532 -7.694 8.948 1.00 1.00 N ATOM 1400 CA GLU A 90 15.805 -8.356 9.290 1.00 1.00 C ATOM 1401 C GLU A 90 16.878 -7.333 9.659 1.00 1.00 C ATOM 1402 O GLU A 90 16.951 -6.236 9.104 1.00 1.00 O ATOM 1403 CB GLU A 90 16.282 -9.210 8.106 1.00 1.00 C ATOM 1404 CG GLU A 90 17.526 -10.017 8.506 1.00 1.00 C ATOM 1405 CD GLU A 90 17.920 -10.975 7.382 1.00 1.00 C ATOM 1406 OE1 GLU A 90 17.105 -11.200 6.503 1.00 1.00 O ATOM 1407 OE2 GLU A 90 19.034 -11.474 7.422 1.00 1.00 O ATOM 0 H GLU A 90 14.623 -6.905 8.308 1.00 1.00 H new ATOM 0 HA GLU A 90 15.634 -8.996 10.156 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.487 -9.885 7.791 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.512 -8.569 7.255 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.353 -9.340 8.723 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.326 -10.579 9.418 1.00 1.00 H new ATOM 1414 N HIS A 91 17.719 -7.715 10.613 1.00 1.00 N ATOM 1415 CA HIS A 91 18.798 -6.846 11.079 1.00 1.00 C ATOM 1416 C HIS A 91 19.874 -6.690 10.002 1.00 1.00 C ATOM 1417 O HIS A 91 20.165 -7.628 9.258 1.00 1.00 O ATOM 1418 CB HIS A 91 19.417 -7.437 12.350 1.00 1.00 C ATOM 1419 CG HIS A 91 20.440 -6.488 12.906 1.00 1.00 C ATOM 1420 ND1 HIS A 91 21.798 -6.649 12.680 1.00 1.00 N ATOM 1421 CD2 HIS A 91 20.320 -5.361 13.680 1.00 1.00 C ATOM 1422 CE1 HIS A 91 22.435 -5.644 13.307 1.00 1.00 C ATOM 1423 NE2 HIS A 91 21.581 -4.830 13.933 1.00 1.00 N ATOM 0 H HIS A 91 17.676 -8.621 11.080 1.00 1.00 H new ATOM 0 HA HIS A 91 18.384 -5.861 11.296 1.00 1.00 H new ATOM 0 HB2 HIS A 91 18.640 -7.624 13.091 1.00 1.00 H new ATOM 0 HB3 HIS A 91 19.882 -8.397 12.127 1.00 1.00 H new ATOM 0 HD1 HIS A 91 22.235 -7.394 12.137 1.00 1.00 H new ATOM 0 HD2 HIS A 91 19.388 -4.949 14.038 1.00 1.00 H new ATOM 0 HE1 HIS A 91 23.507 -5.511 13.305 1.00 1.00 H new ATOM 1432 N HIS A 92 20.465 -5.502 9.921 1.00 1.00 N ATOM 1433 CA HIS A 92 21.509 -5.213 8.930 1.00 1.00 C ATOM 1434 C HIS A 92 22.825 -5.899 9.310 1.00 1.00 C ATOM 1435 O HIS A 92 23.615 -5.386 10.101 1.00 1.00 O ATOM 1436 CB HIS A 92 21.708 -3.669 8.821 1.00 1.00 C ATOM 1437 CG HIS A 92 20.870 -3.098 7.701 1.00 1.00 C ATOM 1438 ND1 HIS A 92 21.048 -3.487 6.384 1.00 1.00 N ATOM 1439 CD2 HIS A 92 19.858 -2.172 7.687 1.00 1.00 C ATOM 1440 CE1 HIS A 92 20.164 -2.805 5.637 1.00 1.00 C ATOM 1441 NE2 HIS A 92 19.413 -1.988 6.381 1.00 1.00 N ATOM 0 H HIS A 92 20.240 -4.716 10.531 1.00 1.00 H new ATOM 0 HA HIS A 92 21.196 -5.604 7.962 1.00 1.00 H new ATOM 0 HB2 HIS A 92 21.435 -3.195 9.764 1.00 1.00 H new ATOM 0 HB3 HIS A 92 22.760 -3.445 8.645 1.00 1.00 H new ATOM 0 HD2 HIS A 92 19.467 -1.664 8.556 1.00 1.00 H new ATOM 0 HE1 HIS A 92 20.072 -2.905 4.566 1.00 1.00 H new ATOM 0 HE2 HIS A 92 18.673 -1.364 6.061 1.00 1.00 H new