USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 42 ALY H2 : A 42 ALY N : A 41 SER C :(H bumps) USER MOD Set 1.1: A 72 THR OG1 : rot 180:sc= -0.703 USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= 0 F(o=-1.7,f=-0.7) USER MOD Set 2.1: A 68 ASN :FLIP amide:sc= 0.234 F(o=-3.6!,f=0.82) USER MOD Set 2.2: A 70 THR OG1 : rot -11:sc= 0.588 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.404 X(o=-1.6,f=-2) USER MOD Set 3.2: A 88 GLN : amide:sc= -1.25! X(o=-1.6!,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.653 (180deg=0.182) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc=-0.00634 (180deg=-0.17) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= -0.0115 (180deg=-0.138) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0183 F(o=-1.2,f=-0.018) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.77 K(o=-0.77,f=-3.2!) USER MOD Single : A 19 ASN : amide:sc= -1.43! C(o=-1.4!,f=-3.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= 0.981 (180deg=-1.42!) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.06! USER MOD Single : A 41 SER OG : rot 180:sc= 0.00176 USER MOD Single : A 44 MET CE :methyl -174:sc= -1 (180deg=-1.07) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0825 (180deg=-0.378) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 75:sc= -3.21! USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -114:sc= -0.972 (180deg=-3.01!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.02 F(o=-0.55,f=-0.02) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -111:sc= -2.27! (180deg=-2.99!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 90 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.1) USER MOD Single : A 91 THR OG1 : rot 40:sc= 0.0377 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.944 5.040 16.249 1.00 0.00 N ATOM 2 CA MET A 1 16.608 5.206 17.679 1.00 0.00 C ATOM 3 C MET A 1 16.146 6.627 17.960 1.00 0.00 C ATOM 4 O MET A 1 15.759 6.955 19.081 1.00 0.00 O ATOM 5 CB MET A 1 17.814 4.879 18.575 1.00 0.00 C ATOM 6 CG MET A 1 18.346 3.459 18.444 1.00 0.00 C ATOM 7 SD MET A 1 19.164 3.155 16.865 1.00 0.00 S ATOM 8 CE MET A 1 19.718 1.469 17.095 1.00 0.00 C ATOM 0 H1 MET A 1 17.399 4.116 16.104 1.00 0.00 H new ATOM 0 H2 MET A 1 16.075 5.091 15.680 1.00 0.00 H new ATOM 0 H3 MET A 1 17.595 5.796 15.955 1.00 0.00 H new ATOM 0 HA MET A 1 15.800 4.510 17.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.620 5.576 18.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.533 5.051 19.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.049 3.264 19.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.521 2.756 18.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.244 1.134 16.201 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.390 1.421 17.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.857 0.824 17.272 1.00 0.00 H new ATOM 18 N ALA A 2 16.174 7.470 16.938 1.00 0.00 N ATOM 19 CA ALA A 2 15.788 8.860 17.069 1.00 0.00 C ATOM 20 C ALA A 2 15.471 9.442 15.704 1.00 0.00 C ATOM 21 O ALA A 2 16.364 9.886 14.983 1.00 0.00 O ATOM 22 CB ALA A 2 16.893 9.666 17.741 1.00 0.00 C ATOM 0 H ALA A 2 16.465 7.206 15.997 1.00 0.00 H new ATOM 0 HA ALA A 2 14.897 8.914 17.694 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.582 10.707 17.829 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.087 9.260 18.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.801 9.608 17.141 1.00 0.00 H new ATOM 28 N ASP A 3 14.200 9.423 15.328 1.00 0.00 N ATOM 29 CA ASP A 3 13.783 9.957 14.030 1.00 0.00 C ATOM 30 C ASP A 3 13.900 11.460 14.009 1.00 0.00 C ATOM 31 O ASP A 3 13.954 12.086 12.952 1.00 0.00 O ATOM 32 CB ASP A 3 12.355 9.531 13.682 1.00 0.00 C ATOM 33 CG ASP A 3 12.206 8.031 13.540 1.00 0.00 C ATOM 34 OD1 ASP A 3 12.001 7.351 14.566 1.00 0.00 O ATOM 35 OD2 ASP A 3 12.305 7.521 12.401 1.00 0.00 O ATOM 0 H ASP A 3 13.441 9.047 15.896 1.00 0.00 H new ATOM 0 HA ASP A 3 14.451 9.543 13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.676 9.887 14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.055 10.011 12.750 1.00 0.00 H new ATOM 40 N GLU A 4 13.946 12.037 15.177 1.00 0.00 N ATOM 41 CA GLU A 4 14.096 13.459 15.320 1.00 0.00 C ATOM 42 C GLU A 4 15.245 13.751 16.255 1.00 0.00 C ATOM 43 O GLU A 4 16.357 14.042 15.830 1.00 0.00 O ATOM 44 CB GLU A 4 12.804 14.092 15.846 1.00 0.00 C ATOM 45 CG GLU A 4 12.862 15.606 15.928 1.00 0.00 C ATOM 46 CD GLU A 4 11.645 16.202 16.589 1.00 0.00 C ATOM 47 OE1 GLU A 4 10.577 16.263 15.938 1.00 0.00 O ATOM 48 OE2 GLU A 4 11.750 16.616 17.761 1.00 0.00 O ATOM 0 H GLU A 4 13.880 11.532 16.061 1.00 0.00 H new ATOM 0 HA GLU A 4 14.308 13.893 14.343 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.977 13.803 15.198 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.589 13.690 16.836 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.753 15.901 16.483 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.962 16.016 14.923 1.00 0.00 H new ATOM 55 N LYS A 5 14.980 13.635 17.532 1.00 0.00 N ATOM 56 CA LYS A 5 15.959 13.884 18.574 1.00 0.00 C ATOM 57 C LYS A 5 15.773 12.900 19.738 1.00 0.00 C ATOM 58 O LYS A 5 16.728 12.223 20.122 1.00 0.00 O ATOM 59 CB LYS A 5 15.890 15.337 19.074 1.00 0.00 C ATOM 60 CG LYS A 5 16.356 16.374 18.065 1.00 0.00 C ATOM 61 CD LYS A 5 17.824 16.198 17.712 1.00 0.00 C ATOM 62 CE LYS A 5 18.266 17.209 16.665 1.00 0.00 C ATOM 63 NZ LYS A 5 18.115 18.607 17.144 1.00 0.00 N ATOM 0 H LYS A 5 14.064 13.361 17.888 1.00 0.00 H new ATOM 0 HA LYS A 5 16.949 13.728 18.144 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.862 15.562 19.358 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.497 15.427 19.975 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.753 16.298 17.160 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.197 17.373 18.471 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.432 16.311 18.609 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.992 15.188 17.339 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.308 17.026 16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.679 17.071 15.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.609 19.252 16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.106 18.855 17.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.525 18.694 18.096 1.00 0.00 H new ATOM 77 N PRO A 6 14.545 12.810 20.349 1.00 0.00 N ATOM 78 CA PRO A 6 14.284 11.828 21.403 1.00 0.00 C ATOM 79 C PRO A 6 14.117 10.425 20.819 1.00 0.00 C ATOM 80 O PRO A 6 14.375 10.202 19.633 1.00 0.00 O ATOM 81 CB PRO A 6 12.972 12.312 22.025 1.00 0.00 C ATOM 82 CG PRO A 6 12.273 13.020 20.923 1.00 0.00 C ATOM 83 CD PRO A 6 13.347 13.669 20.098 1.00 0.00 C ATOM 0 HA PRO A 6 15.100 11.756 22.123 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.379 11.477 22.399 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.155 12.976 22.870 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.687 12.324 20.322 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.580 13.764 21.316 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.083 13.691 19.041 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.521 14.700 20.405 1.00 0.00 H new ATOM 91 N LYS A 7 13.654 9.486 21.626 1.00 0.00 N ATOM 92 CA LYS A 7 13.488 8.115 21.165 1.00 0.00 C ATOM 93 C LYS A 7 12.216 7.982 20.347 1.00 0.00 C ATOM 94 O LYS A 7 12.085 7.090 19.507 1.00 0.00 O ATOM 95 CB LYS A 7 13.463 7.146 22.339 1.00 0.00 C ATOM 96 CG LYS A 7 14.768 7.089 23.117 1.00 0.00 C ATOM 97 CD LYS A 7 14.697 6.080 24.253 1.00 0.00 C ATOM 98 CE LYS A 7 14.399 4.675 23.742 1.00 0.00 C ATOM 99 NZ LYS A 7 15.435 4.193 22.788 1.00 0.00 N ATOM 0 H LYS A 7 13.387 9.644 22.598 1.00 0.00 H new ATOM 0 HA LYS A 7 14.340 7.865 20.533 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.659 7.432 23.017 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.228 6.148 21.969 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.583 6.823 22.444 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.996 8.076 23.519 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.642 6.077 24.796 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.924 6.382 24.960 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.337 3.988 24.586 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.425 4.667 23.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.278 3.185 22.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.374 4.738 21.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.378 4.318 23.208 1.00 0.00 H new ATOM 113 N GLU A 8 11.269 8.857 20.604 1.00 0.00 N ATOM 114 CA GLU A 8 10.032 8.870 19.864 1.00 0.00 C ATOM 115 C GLU A 8 10.167 9.787 18.662 1.00 0.00 C ATOM 116 O GLU A 8 10.703 10.890 18.766 1.00 0.00 O ATOM 117 CB GLU A 8 8.856 9.331 20.745 1.00 0.00 C ATOM 118 CG GLU A 8 8.425 8.331 21.820 1.00 0.00 C ATOM 119 CD GLU A 8 9.474 8.111 22.887 1.00 0.00 C ATOM 120 OE1 GLU A 8 9.717 9.034 23.684 1.00 0.00 O ATOM 121 OE2 GLU A 8 10.058 7.008 22.938 1.00 0.00 O ATOM 0 H GLU A 8 11.336 9.574 21.327 1.00 0.00 H new ATOM 0 HA GLU A 8 9.824 7.853 19.530 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.130 10.268 21.230 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.001 9.543 20.103 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.508 8.686 22.290 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.192 7.377 21.347 1.00 0.00 H new ATOM 128 N GLY A 9 9.685 9.340 17.519 1.00 0.00 N ATOM 129 CA GLY A 9 9.758 10.148 16.322 1.00 0.00 C ATOM 130 C GLY A 9 8.399 10.626 15.925 1.00 0.00 C ATOM 131 O GLY A 9 8.197 11.204 14.856 1.00 0.00 O ATOM 0 H GLY A 9 9.243 8.429 17.396 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.414 11.002 16.493 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.196 9.567 15.511 1.00 0.00 H new ATOM 135 N VAL A 10 7.462 10.384 16.798 1.00 0.00 N ATOM 136 CA VAL A 10 6.087 10.739 16.588 1.00 0.00 C ATOM 137 C VAL A 10 5.464 11.203 17.904 1.00 0.00 C ATOM 138 O VAL A 10 5.496 10.492 18.912 1.00 0.00 O ATOM 139 CB VAL A 10 5.283 9.544 15.991 1.00 0.00 C ATOM 140 CG1 VAL A 10 5.388 8.301 16.869 1.00 0.00 C ATOM 141 CG2 VAL A 10 3.832 9.926 15.769 1.00 0.00 C ATOM 0 H VAL A 10 7.636 9.926 17.692 1.00 0.00 H new ATOM 0 HA VAL A 10 6.047 11.557 15.869 1.00 0.00 H new ATOM 0 HB VAL A 10 5.726 9.302 15.025 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.815 7.489 16.421 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.433 8.003 16.955 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.991 8.521 17.860 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.292 9.076 15.352 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.381 10.211 16.720 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.779 10.765 15.076 1.00 0.00 H new ATOM 151 N LYS A 11 4.937 12.408 17.912 1.00 0.00 N ATOM 152 CA LYS A 11 4.323 12.955 19.105 1.00 0.00 C ATOM 153 C LYS A 11 2.942 13.501 18.794 1.00 0.00 C ATOM 154 O LYS A 11 1.929 12.919 19.174 1.00 0.00 O ATOM 155 CB LYS A 11 5.204 14.053 19.712 1.00 0.00 C ATOM 156 CG LYS A 11 4.585 14.731 20.921 1.00 0.00 C ATOM 157 CD LYS A 11 5.477 15.830 21.463 1.00 0.00 C ATOM 158 CE LYS A 11 4.784 16.592 22.574 1.00 0.00 C ATOM 159 NZ LYS A 11 5.672 17.609 23.186 1.00 0.00 N ATOM 0 H LYS A 11 4.921 13.030 17.104 1.00 0.00 H new ATOM 0 HA LYS A 11 4.221 12.150 19.833 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.162 13.621 20.000 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.409 14.805 18.950 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.616 15.150 20.648 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.404 13.991 21.701 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.405 15.399 21.837 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.745 16.516 20.659 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.893 17.079 22.179 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.451 15.893 23.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.160 18.108 23.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.511 17.142 23.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.970 18.292 22.460 1.00 0.00 H new ATOM 173 N THR A 12 2.895 14.605 18.079 1.00 0.00 N ATOM 174 CA THR A 12 1.642 15.225 17.736 1.00 0.00 C ATOM 175 C THR A 12 1.191 14.758 16.359 1.00 0.00 C ATOM 176 O THR A 12 1.197 15.509 15.381 1.00 0.00 O ATOM 177 CB THR A 12 1.763 16.748 17.755 1.00 0.00 C ATOM 178 OG1 THR A 12 2.487 17.155 18.928 1.00 0.00 O ATOM 179 CG2 THR A 12 0.387 17.397 17.753 1.00 0.00 C ATOM 0 H THR A 12 3.719 15.091 17.724 1.00 0.00 H new ATOM 0 HA THR A 12 0.900 14.931 18.478 1.00 0.00 H new ATOM 0 HB THR A 12 2.298 17.068 16.861 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.567 18.132 18.941 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.496 18.481 17.767 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.155 17.098 16.856 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.167 17.077 18.635 1.00 0.00 H new ATOM 187 N GLU A 13 0.837 13.504 16.288 1.00 0.00 N ATOM 188 CA GLU A 13 0.402 12.869 15.058 1.00 0.00 C ATOM 189 C GLU A 13 -0.665 11.854 15.375 1.00 0.00 C ATOM 190 O GLU A 13 -1.027 11.690 16.539 1.00 0.00 O ATOM 191 CB GLU A 13 1.578 12.172 14.375 1.00 0.00 C ATOM 192 CG GLU A 13 2.560 13.116 13.710 1.00 0.00 C ATOM 193 CD GLU A 13 2.011 13.711 12.435 1.00 0.00 C ATOM 194 OE1 GLU A 13 0.775 13.845 12.313 1.00 0.00 O ATOM 195 OE2 GLU A 13 2.805 14.032 11.539 1.00 0.00 O ATOM 0 H GLU A 13 0.840 12.878 17.093 1.00 0.00 H new ATOM 0 HA GLU A 13 0.005 13.630 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.110 11.574 15.115 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.191 11.482 13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.815 13.918 14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.483 12.580 13.490 1.00 0.00 H new ATOM 202 N ASN A 14 -1.195 11.187 14.334 1.00 0.00 N ATOM 203 CA ASN A 14 -2.207 10.123 14.486 1.00 0.00 C ATOM 204 C ASN A 14 -3.591 10.715 14.647 1.00 0.00 C ATOM 205 O ASN A 14 -4.550 10.027 15.001 1.00 0.00 O ATOM 206 CB ASN A 14 -1.889 9.176 15.650 1.00 0.00 C ATOM 207 CG ASN A 14 -0.626 8.349 15.437 1.00 0.00 C ATOM 208 OD1 ASN A 14 -0.345 7.984 14.196 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 0.084 8.029 16.389 1.00 0.00 N flip ATOM 0 H ASN A 14 -0.935 11.369 13.365 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.181 9.530 13.572 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.781 9.761 16.564 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.733 8.503 15.801 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.163 8.328 17.332 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.920 7.465 16.235 1.00 0.00 H new ATOM 216 N ASN A 15 -3.702 11.990 14.359 1.00 0.00 N ATOM 217 CA ASN A 15 -4.968 12.692 14.461 1.00 0.00 C ATOM 218 C ASN A 15 -5.810 12.461 13.211 1.00 0.00 C ATOM 219 O ASN A 15 -6.499 11.448 13.094 1.00 0.00 O ATOM 220 CB ASN A 15 -4.756 14.197 14.690 1.00 0.00 C ATOM 221 CG ASN A 15 -3.887 14.494 15.892 1.00 0.00 C ATOM 222 OD1 ASN A 15 -4.369 14.562 17.022 1.00 0.00 O ATOM 223 ND2 ASN A 15 -2.605 14.697 15.657 1.00 0.00 N ATOM 0 H ASN A 15 -2.924 12.572 14.048 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.501 12.292 15.323 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.300 14.634 13.802 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.725 14.679 14.821 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.974 14.920 16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.244 14.631 14.705 1.00 0.00 H new ATOM 230 N ASP A 16 -5.732 13.371 12.252 1.00 0.00 N ATOM 231 CA ASP A 16 -6.502 13.245 11.025 1.00 0.00 C ATOM 232 C ASP A 16 -5.824 12.327 10.049 1.00 0.00 C ATOM 233 O ASP A 16 -4.693 12.567 9.624 1.00 0.00 O ATOM 234 CB ASP A 16 -6.742 14.603 10.373 1.00 0.00 C ATOM 235 CG ASP A 16 -7.818 15.398 11.070 1.00 0.00 C ATOM 236 OD1 ASP A 16 -7.506 16.101 12.050 1.00 0.00 O ATOM 237 OD2 ASP A 16 -8.991 15.316 10.642 1.00 0.00 O ATOM 0 H ASP A 16 -5.144 14.203 12.300 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.466 12.817 11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.813 15.173 10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.021 14.457 9.330 1.00 0.00 H new ATOM 242 N HIS A 17 -6.506 11.264 9.695 1.00 0.00 N ATOM 243 CA HIS A 17 -6.010 10.296 8.768 1.00 0.00 C ATOM 244 C HIS A 17 -7.147 9.353 8.419 1.00 0.00 C ATOM 245 O HIS A 17 -8.181 9.358 9.085 1.00 0.00 O ATOM 246 CB HIS A 17 -4.835 9.524 9.374 1.00 0.00 C ATOM 247 CG HIS A 17 -5.198 8.663 10.540 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.476 9.149 11.797 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.342 7.337 10.617 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.772 8.149 12.592 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.705 7.032 11.902 1.00 0.00 N ATOM 0 H HIS A 17 -7.437 11.051 10.054 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.647 10.791 7.868 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.390 8.898 8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.071 10.236 9.687 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.455 10.132 12.068 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.198 6.632 9.811 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.028 8.230 13.638 1.00 0.00 H new ATOM 260 N ILE A 18 -6.973 8.543 7.406 1.00 0.00 N ATOM 261 CA ILE A 18 -8.023 7.624 6.999 1.00 0.00 C ATOM 262 C ILE A 18 -7.545 6.192 7.033 1.00 0.00 C ATOM 263 O ILE A 18 -6.358 5.918 7.208 1.00 0.00 O ATOM 264 CB ILE A 18 -8.580 7.932 5.597 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.462 7.900 4.544 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.303 9.274 5.591 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.954 8.039 3.118 1.00 0.00 C ATOM 0 H ILE A 18 -6.122 8.495 6.846 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.828 7.762 7.721 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.302 7.158 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.756 8.704 4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.915 6.962 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.690 9.474 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.130 9.245 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.607 10.063 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.105 8.007 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.636 7.221 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.475 8.989 3.004 1.00 0.00 H new ATOM 279 N ASN A 19 -8.470 5.273 6.889 1.00 0.00 N ATOM 280 CA ASN A 19 -8.147 3.867 6.892 1.00 0.00 C ATOM 281 C ASN A 19 -8.086 3.362 5.474 1.00 0.00 C ATOM 282 O ASN A 19 -8.813 3.829 4.619 1.00 0.00 O ATOM 283 CB ASN A 19 -9.193 3.076 7.677 1.00 0.00 C ATOM 284 CG ASN A 19 -9.381 3.609 9.077 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.678 3.214 10.000 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.338 4.499 9.242 1.00 0.00 N ATOM 0 H ASN A 19 -9.462 5.477 6.767 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.178 3.731 7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.145 3.110 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.893 2.029 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.518 4.888 10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.899 4.799 8.444 1.00 0.00 H new ATOM 293 N LEU A 20 -7.196 2.457 5.215 1.00 0.00 N ATOM 294 CA LEU A 20 -7.082 1.852 3.905 1.00 0.00 C ATOM 295 C LEU A 20 -6.991 0.353 4.031 1.00 0.00 C ATOM 296 O LEU A 20 -6.681 -0.179 5.100 1.00 0.00 O ATOM 297 CB LEU A 20 -5.861 2.394 3.144 1.00 0.00 C ATOM 298 CG LEU A 20 -6.133 3.529 2.139 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.262 3.159 1.192 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.438 4.831 2.852 1.00 0.00 C ATOM 0 H LEU A 20 -6.523 2.110 5.898 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.975 2.110 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.133 2.750 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.397 1.566 2.608 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.227 3.672 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.434 3.978 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.993 2.260 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.171 2.974 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.626 5.613 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.320 4.704 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.588 5.113 3.473 1.00 0.00 H new ATOM 312 N LYS A 21 -7.278 -0.333 2.955 1.00 0.00 N ATOM 313 CA LYS A 21 -7.218 -1.770 2.925 1.00 0.00 C ATOM 314 C LYS A 21 -6.471 -2.226 1.702 1.00 0.00 C ATOM 315 O LYS A 21 -6.515 -1.584 0.658 1.00 0.00 O ATOM 316 CB LYS A 21 -8.621 -2.359 2.902 1.00 0.00 C ATOM 317 CG LYS A 21 -9.430 -2.066 4.139 1.00 0.00 C ATOM 318 CD LYS A 21 -10.890 -2.470 3.972 1.00 0.00 C ATOM 319 CE LYS A 21 -11.044 -3.972 3.778 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.467 -4.379 3.659 1.00 0.00 N ATOM 0 H LYS A 21 -7.561 0.092 2.072 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.700 -2.112 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.152 -1.971 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.548 -3.439 2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.001 -2.598 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.372 -1.002 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.456 -2.157 4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.316 -1.948 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.504 -4.278 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.588 -4.494 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.524 -5.409 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.978 -4.111 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.897 -3.902 2.841 1.00 0.00 H new ATOM 334 N VAL A 22 -5.787 -3.324 1.819 1.00 0.00 N ATOM 335 CA VAL A 22 -5.065 -3.884 0.694 1.00 0.00 C ATOM 336 C VAL A 22 -5.475 -5.320 0.475 1.00 0.00 C ATOM 337 O VAL A 22 -5.301 -6.174 1.351 1.00 0.00 O ATOM 338 CB VAL A 22 -3.530 -3.806 0.871 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.839 -4.556 -0.243 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.063 -2.364 0.881 1.00 0.00 C ATOM 0 H VAL A 22 -5.708 -3.860 2.683 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.325 -3.283 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.274 -4.263 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.759 -4.494 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.148 -5.601 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.111 -4.115 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.981 -2.333 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.333 -1.888 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.539 -1.833 1.705 1.00 0.00 H new ATOM 350 N ALA A 23 -6.034 -5.585 -0.683 1.00 0.00 N ATOM 351 CA ALA A 23 -6.480 -6.904 -1.030 1.00 0.00 C ATOM 352 C ALA A 23 -5.382 -7.649 -1.751 1.00 0.00 C ATOM 353 O ALA A 23 -4.937 -7.248 -2.828 1.00 0.00 O ATOM 354 CB ALA A 23 -7.734 -6.837 -1.887 1.00 0.00 C ATOM 0 H ALA A 23 -6.190 -4.886 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.724 -7.442 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.056 -7.847 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.526 -6.331 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.520 -6.285 -2.802 1.00 0.00 H new ATOM 360 N GLY A 24 -4.947 -8.730 -1.167 1.00 0.00 N ATOM 361 CA GLY A 24 -3.913 -9.511 -1.759 1.00 0.00 C ATOM 362 C GLY A 24 -4.475 -10.435 -2.806 1.00 0.00 C ATOM 363 O GLY A 24 -5.649 -10.805 -2.748 1.00 0.00 O ATOM 0 H GLY A 24 -5.298 -9.086 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.168 -8.855 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.404 -10.092 -0.990 1.00 0.00 H new ATOM 367 N GLN A 25 -3.646 -10.833 -3.753 1.00 0.00 N ATOM 368 CA GLN A 25 -4.077 -11.721 -4.838 1.00 0.00 C ATOM 369 C GLN A 25 -4.521 -13.085 -4.300 1.00 0.00 C ATOM 370 O GLN A 25 -5.154 -13.873 -5.001 1.00 0.00 O ATOM 371 CB GLN A 25 -2.961 -11.870 -5.889 1.00 0.00 C ATOM 372 CG GLN A 25 -1.631 -12.364 -5.333 1.00 0.00 C ATOM 373 CD GLN A 25 -1.604 -13.860 -5.095 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.227 -14.623 -5.825 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.914 -14.279 -4.056 1.00 0.00 N ATOM 0 H GLN A 25 -2.665 -10.559 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.942 -11.268 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.297 -12.562 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.803 -10.906 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.833 -12.098 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.423 -11.849 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.410 -13.609 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.883 -15.274 -3.832 1.00 0.00 H new ATOM 384 N ASP A 26 -4.191 -13.353 -3.043 1.00 0.00 N ATOM 385 CA ASP A 26 -4.544 -14.609 -2.401 1.00 0.00 C ATOM 386 C ASP A 26 -6.001 -14.589 -1.929 1.00 0.00 C ATOM 387 O ASP A 26 -6.563 -15.618 -1.566 1.00 0.00 O ATOM 388 CB ASP A 26 -3.610 -14.877 -1.216 1.00 0.00 C ATOM 389 CG ASP A 26 -3.769 -16.276 -0.656 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.169 -17.213 -1.217 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.499 -16.448 0.344 1.00 0.00 O ATOM 0 H ASP A 26 -3.674 -12.709 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.431 -15.410 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.577 -14.731 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.809 -14.149 -0.429 1.00 0.00 H new ATOM 396 N GLY A 27 -6.616 -13.413 -1.946 1.00 0.00 N ATOM 397 CA GLY A 27 -8.005 -13.295 -1.524 1.00 0.00 C ATOM 398 C GLY A 27 -8.150 -12.793 -0.098 1.00 0.00 C ATOM 399 O GLY A 27 -9.229 -12.851 0.488 1.00 0.00 O ATOM 0 H GLY A 27 -6.182 -12.539 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.527 -12.616 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.490 -14.267 -1.612 1.00 0.00 H new ATOM 403 N SER A 28 -7.074 -12.294 0.466 1.00 0.00 N ATOM 404 CA SER A 28 -7.096 -11.784 1.820 1.00 0.00 C ATOM 405 C SER A 28 -6.946 -10.280 1.787 1.00 0.00 C ATOM 406 O SER A 28 -6.513 -9.721 0.786 1.00 0.00 O ATOM 407 CB SER A 28 -5.973 -12.420 2.642 1.00 0.00 C ATOM 408 OG SER A 28 -6.082 -12.099 4.019 1.00 0.00 O ATOM 0 H SER A 28 -6.166 -12.230 0.005 1.00 0.00 H new ATOM 0 HA SER A 28 -8.046 -12.038 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.000 -13.503 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.009 -12.080 2.265 1.00 0.00 H new ATOM 0 HG SER A 28 -5.350 -12.523 4.513 1.00 0.00 H new ATOM 414 N VAL A 29 -7.296 -9.622 2.859 1.00 0.00 N ATOM 415 CA VAL A 29 -7.209 -8.184 2.903 1.00 0.00 C ATOM 416 C VAL A 29 -6.750 -7.702 4.278 1.00 0.00 C ATOM 417 O VAL A 29 -7.128 -8.259 5.307 1.00 0.00 O ATOM 418 CB VAL A 29 -8.566 -7.522 2.529 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.620 -7.759 3.604 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.395 -6.037 2.264 1.00 0.00 C ATOM 0 H VAL A 29 -7.644 -10.056 3.714 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.466 -7.883 2.164 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.915 -7.995 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.555 -7.282 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.782 -8.830 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.279 -7.334 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.359 -5.600 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.005 -5.550 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.698 -5.893 1.439 1.00 0.00 H new ATOM 430 N VAL A 30 -5.917 -6.684 4.292 1.00 0.00 N ATOM 431 CA VAL A 30 -5.439 -6.107 5.530 1.00 0.00 C ATOM 432 C VAL A 30 -6.052 -4.722 5.732 1.00 0.00 C ATOM 433 O VAL A 30 -6.246 -3.973 4.770 1.00 0.00 O ATOM 434 CB VAL A 30 -3.890 -6.000 5.543 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.393 -5.083 4.436 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.388 -5.527 6.899 1.00 0.00 C ATOM 0 H VAL A 30 -5.554 -6.235 3.451 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.742 -6.764 6.345 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.488 -6.997 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.305 -5.028 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.706 -5.477 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.811 -4.086 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.300 -5.461 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.808 -4.546 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.696 -6.235 7.668 1.00 0.00 H new ATOM 446 N GLN A 31 -6.384 -4.390 6.971 1.00 0.00 N ATOM 447 CA GLN A 31 -6.960 -3.099 7.288 1.00 0.00 C ATOM 448 C GLN A 31 -5.986 -2.295 8.134 1.00 0.00 C ATOM 449 O GLN A 31 -5.549 -2.735 9.197 1.00 0.00 O ATOM 450 CB GLN A 31 -8.268 -3.291 8.016 1.00 0.00 C ATOM 451 CG GLN A 31 -9.115 -4.385 7.399 1.00 0.00 C ATOM 452 CD GLN A 31 -10.477 -4.492 8.006 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.689 -5.227 8.966 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.406 -3.764 7.460 1.00 0.00 N ATOM 0 H GLN A 31 -6.262 -5.004 7.776 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.153 -2.549 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.068 -3.535 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.826 -2.355 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.215 -4.198 6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.600 -5.339 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.184 -3.167 6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.357 -3.790 7.829 1.00 0.00 H new ATOM 463 N PHE A 32 -5.656 -1.121 7.669 1.00 0.00 N ATOM 464 CA PHE A 32 -4.651 -0.287 8.310 1.00 0.00 C ATOM 465 C PHE A 32 -5.002 1.185 8.193 1.00 0.00 C ATOM 466 O PHE A 32 -5.891 1.567 7.441 1.00 0.00 O ATOM 467 CB PHE A 32 -3.275 -0.545 7.695 1.00 0.00 C ATOM 468 CG PHE A 32 -3.255 -0.374 6.205 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.791 -1.347 5.379 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.722 0.765 5.634 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.796 -1.190 4.018 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.725 0.930 4.274 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.265 -0.048 3.461 1.00 0.00 C ATOM 0 H PHE A 32 -6.071 -0.707 6.835 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.625 -0.549 9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.550 0.135 8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.957 -1.558 7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.211 -2.242 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.299 1.532 6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.214 -1.958 3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.305 1.824 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.271 0.083 2.389 1.00 0.00 H new ATOM 483 N LYS A 33 -4.303 2.012 8.939 1.00 0.00 N ATOM 484 CA LYS A 33 -4.572 3.436 8.959 1.00 0.00 C ATOM 485 C LYS A 33 -3.390 4.213 8.390 1.00 0.00 C ATOM 486 O LYS A 33 -2.239 3.907 8.685 1.00 0.00 O ATOM 487 CB LYS A 33 -4.857 3.867 10.393 1.00 0.00 C ATOM 488 CG LYS A 33 -5.732 2.872 11.133 1.00 0.00 C ATOM 489 CD LYS A 33 -6.077 3.330 12.537 1.00 0.00 C ATOM 490 CE LYS A 33 -4.835 3.513 13.389 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.154 3.563 14.836 1.00 0.00 N ATOM 0 H LYS A 33 -3.537 1.721 9.546 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.441 3.650 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.915 3.986 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.345 4.842 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.652 2.714 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.220 1.911 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.627 4.270 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.736 2.600 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.142 2.694 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.328 4.433 13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.277 3.689 15.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.795 4.360 15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.614 2.675 15.121 1.00 0.00 H new ATOM 505 N ILE A 34 -3.673 5.204 7.562 1.00 0.00 N ATOM 506 CA ILE A 34 -2.631 6.018 6.951 1.00 0.00 C ATOM 507 C ILE A 34 -3.094 7.475 6.830 1.00 0.00 C ATOM 508 O ILE A 34 -4.290 7.754 6.689 1.00 0.00 O ATOM 509 CB ILE A 34 -2.238 5.460 5.550 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.110 6.287 4.922 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.449 5.421 4.632 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.574 5.715 3.625 1.00 0.00 C ATOM 0 H ILE A 34 -4.622 5.467 7.295 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.751 5.980 7.593 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.872 4.442 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.474 7.298 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.291 6.368 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.155 5.029 3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.214 4.778 5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.847 6.429 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.220 6.357 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.178 4.716 3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.378 5.660 2.892 1.00 0.00 H new ATOM 524 N LYS A 35 -2.163 8.414 6.910 1.00 0.00 N ATOM 525 CA LYS A 35 -2.510 9.819 6.815 1.00 0.00 C ATOM 526 C LYS A 35 -2.610 10.253 5.378 1.00 0.00 C ATOM 527 O LYS A 35 -2.038 9.635 4.489 1.00 0.00 O ATOM 528 CB LYS A 35 -1.496 10.692 7.524 1.00 0.00 C ATOM 529 CG LYS A 35 -1.168 10.249 8.930 1.00 0.00 C ATOM 530 CD LYS A 35 -0.705 11.436 9.770 1.00 0.00 C ATOM 531 CE LYS A 35 0.522 12.102 9.152 1.00 0.00 C ATOM 532 NZ LYS A 35 0.738 13.475 9.669 1.00 0.00 N ATOM 0 H LYS A 35 -1.169 8.228 7.040 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.479 9.938 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.577 10.710 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.874 11.714 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.045 9.792 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.389 9.487 8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.513 12.163 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.470 11.101 10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.404 11.496 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.406 12.138 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.758 13.664 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.301 14.162 9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.306 13.563 10.611 1.00 0.00 H new ATOM 546 N ARG A 36 -3.321 11.339 5.153 1.00 0.00 N ATOM 547 CA ARG A 36 -3.529 11.869 3.818 1.00 0.00 C ATOM 548 C ARG A 36 -2.208 12.324 3.202 1.00 0.00 C ATOM 549 O ARG A 36 -1.939 12.093 2.025 1.00 0.00 O ATOM 550 CB ARG A 36 -4.510 13.047 3.866 1.00 0.00 C ATOM 551 CG ARG A 36 -5.694 12.853 4.808 1.00 0.00 C ATOM 552 CD ARG A 36 -6.442 11.551 4.543 1.00 0.00 C ATOM 553 NE ARG A 36 -6.944 11.455 3.169 1.00 0.00 N ATOM 554 CZ ARG A 36 -8.169 11.846 2.783 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.991 12.434 3.650 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.561 11.661 1.526 1.00 0.00 N ATOM 0 H ARG A 36 -3.772 11.881 5.890 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.947 11.076 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.967 13.943 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.889 13.227 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.340 12.862 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.381 13.692 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.779 10.709 4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.278 11.470 5.237 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.322 11.066 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.691 12.589 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.921 12.729 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.931 11.222 0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.492 11.958 1.233 1.00 0.00 H new ATOM 570 N HIS A 37 -1.371 12.959 4.015 1.00 0.00 N ATOM 571 CA HIS A 37 -0.084 13.476 3.552 1.00 0.00 C ATOM 572 C HIS A 37 1.020 12.440 3.738 1.00 0.00 C ATOM 573 O HIS A 37 2.205 12.727 3.555 1.00 0.00 O ATOM 574 CB HIS A 37 0.277 14.767 4.302 1.00 0.00 C ATOM 575 CG HIS A 37 -0.680 15.902 4.056 1.00 0.00 C ATOM 576 ND1 HIS A 37 -1.103 16.763 5.046 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.293 16.315 2.921 1.00 0.00 C ATOM 578 CE1 HIS A 37 -1.934 17.649 4.531 1.00 0.00 C ATOM 579 NE2 HIS A 37 -2.064 17.398 3.245 1.00 0.00 N ATOM 0 H HIS A 37 -1.560 13.130 5.003 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.174 13.697 2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.310 14.558 5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.279 15.079 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.192 15.872 1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.424 18.445 5.072 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.646 17.926 2.595 1.00 0.00 H new ATOM 588 N THR A 38 0.630 11.235 4.093 1.00 0.00 N ATOM 589 CA THR A 38 1.566 10.162 4.314 1.00 0.00 C ATOM 590 C THR A 38 1.734 9.321 3.046 1.00 0.00 C ATOM 591 O THR A 38 0.753 8.930 2.422 1.00 0.00 O ATOM 592 CB THR A 38 1.131 9.279 5.511 1.00 0.00 C ATOM 593 OG1 THR A 38 1.347 9.995 6.732 1.00 0.00 O ATOM 594 CG2 THR A 38 1.909 7.977 5.544 1.00 0.00 C ATOM 0 H THR A 38 -0.346 10.975 4.236 1.00 0.00 H new ATOM 0 HA THR A 38 2.532 10.603 4.560 1.00 0.00 H new ATOM 0 HB THR A 38 0.073 9.042 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.382 9.363 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.582 7.379 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.732 7.424 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.973 8.192 5.639 1.00 0.00 H new ATOM 602 N PRO A 39 2.986 9.058 2.646 1.00 0.00 N ATOM 603 CA PRO A 39 3.292 8.295 1.433 1.00 0.00 C ATOM 604 C PRO A 39 2.896 6.823 1.521 1.00 0.00 C ATOM 605 O PRO A 39 2.897 6.211 2.601 1.00 0.00 O ATOM 606 CB PRO A 39 4.809 8.415 1.308 1.00 0.00 C ATOM 607 CG PRO A 39 5.286 8.696 2.686 1.00 0.00 C ATOM 608 CD PRO A 39 4.206 9.494 3.344 1.00 0.00 C ATOM 0 HA PRO A 39 2.734 8.682 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.247 7.496 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.087 9.216 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.473 7.770 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.224 9.250 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.151 9.291 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.372 10.565 3.231 1.00 0.00 H new ATOM 616 N LEU A 40 2.560 6.257 0.369 1.00 0.00 N ATOM 617 CA LEU A 40 2.202 4.860 0.224 1.00 0.00 C ATOM 618 C LEU A 40 3.333 3.914 0.617 1.00 0.00 C ATOM 619 O LEU A 40 3.121 2.711 0.732 1.00 0.00 O ATOM 620 CB LEU A 40 1.782 4.595 -1.215 1.00 0.00 C ATOM 621 CG LEU A 40 0.292 4.733 -1.505 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.272 6.037 -0.981 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.020 4.588 -2.983 1.00 0.00 C ATOM 0 H LEU A 40 2.529 6.774 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 40 1.375 4.663 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.325 5.281 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.094 3.586 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.216 3.927 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.336 6.091 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.131 6.087 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.244 6.873 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.049 4.690 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.558 5.362 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.355 3.607 -3.320 1.00 0.00 H new ATOM 635 N SER A 41 4.536 4.443 0.790 1.00 0.00 N ATOM 636 CA SER A 41 5.680 3.632 1.187 1.00 0.00 C ATOM 637 C SER A 41 5.377 2.841 2.456 1.00 0.00 C ATOM 638 O SER A 41 5.665 1.642 2.542 1.00 0.00 O ATOM 639 CB SER A 41 6.908 4.520 1.380 1.00 0.00 C ATOM 640 OG SER A 41 6.590 5.665 2.154 1.00 0.00 O ATOM 0 H SER A 41 4.746 5.433 0.661 1.00 0.00 H new ATOM 0 HA SER A 41 5.888 2.915 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.698 3.952 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.294 4.829 0.409 1.00 0.00 H new ATOM 0 HG SER A 41 7.392 6.217 2.266 1.00 0.00 H new HETATM 646 OH ALY A 42 1.006 3.406 10.451 1.00 0.00 O HETATM 647 CH ALY A 42 0.531 2.694 9.559 1.00 0.00 C HETATM 648 CH3 ALY A 42 -0.237 1.437 9.873 1.00 0.00 C HETATM 649 NZ ALY A 42 0.627 3.008 8.279 1.00 0.00 N HETATM 650 CE ALY A 42 1.734 3.763 7.707 1.00 0.00 C HETATM 651 CD ALY A 42 1.600 3.903 6.198 1.00 0.00 C HETATM 652 CG ALY A 42 2.792 4.641 5.584 1.00 0.00 C HETATM 653 CB ALY A 42 4.099 3.875 5.766 1.00 0.00 C HETATM 654 CA ALY A 42 4.412 2.840 4.668 1.00 0.00 C HETATM 655 N ALY A 42 4.769 3.499 3.433 1.00 0.00 N HETATM 656 C ALY A 42 3.236 1.894 4.434 1.00 0.00 C HETATM 657 O ALY A 42 3.144 0.845 5.050 1.00 0.00 O HETATM 0 HH33 ALY A 42 0.403 0.747 10.423 1.00 0.00 H new HETATM 0 HH32 ALY A 42 -1.108 1.685 10.479 1.00 0.00 H new HETATM 0 HH31 ALY A 42 -0.563 0.968 8.944 1.00 0.00 H new HETATM 0 HZ ALY A 42 -0.119 2.703 7.654 1.00 0.00 H new HETATM 0 HG3 ALY A 42 2.883 5.626 6.042 1.00 0.00 H new HETATM 0 HG2 ALY A 42 2.611 4.800 4.521 1.00 0.00 H new HETATM 0 HE3 ALY A 42 2.675 3.266 7.944 1.00 0.00 H new HETATM 0 HE2 ALY A 42 1.773 4.753 8.162 1.00 0.00 H new HETATM 0 HD3 ALY A 42 0.681 4.440 5.964 1.00 0.00 H new HETATM 0 HD2 ALY A 42 1.515 2.914 5.748 1.00 0.00 H new HETATM 0 HCA ALY A 42 5.259 2.247 5.013 1.00 0.00 H new HETATM 0 HB3 ALY A 42 4.070 3.363 6.728 1.00 0.00 H new HETATM 0 HB2 ALY A 42 4.919 4.592 5.811 1.00 0.00 H new HETATM 0 H ALY A 42 4.786 4.518 3.385 1.00 0.00 H new ATOM 672 N LEU A 43 2.338 2.278 3.524 1.00 0.00 N ATOM 673 CA LEU A 43 1.181 1.451 3.168 1.00 0.00 C ATOM 674 C LEU A 43 1.643 0.116 2.613 1.00 0.00 C ATOM 675 O LEU A 43 1.228 -0.952 3.076 1.00 0.00 O ATOM 676 CB LEU A 43 0.288 2.194 2.136 1.00 0.00 C ATOM 677 CG LEU A 43 -0.889 1.397 1.532 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.977 2.337 1.069 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.436 0.541 0.356 1.00 0.00 C ATOM 0 H LEU A 43 2.390 3.162 3.017 1.00 0.00 H new ATOM 0 HA LEU A 43 0.590 1.266 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.116 3.085 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.924 2.533 1.318 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.274 0.742 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.800 1.761 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.340 2.919 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.578 3.010 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.289 -0.007 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.018 1.182 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.323 -0.165 0.691 1.00 0.00 H new ATOM 691 N MET A 44 2.508 0.181 1.615 1.00 0.00 N ATOM 692 CA MET A 44 3.045 -1.001 0.983 1.00 0.00 C ATOM 693 C MET A 44 3.793 -1.841 1.984 1.00 0.00 C ATOM 694 O MET A 44 3.574 -3.045 2.084 1.00 0.00 O ATOM 695 CB MET A 44 3.957 -0.612 -0.178 1.00 0.00 C ATOM 696 CG MET A 44 3.211 -0.241 -1.443 1.00 0.00 C ATOM 697 SD MET A 44 4.194 0.726 -2.584 1.00 0.00 S ATOM 698 CE MET A 44 2.978 1.053 -3.847 1.00 0.00 C ATOM 0 H MET A 44 2.855 1.057 1.224 1.00 0.00 H new ATOM 0 HA MET A 44 2.217 -1.592 0.591 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.578 0.230 0.127 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.629 -1.442 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.879 -1.152 -1.941 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.316 0.322 -1.177 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.454 1.557 -4.688 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.544 0.113 -4.186 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.192 1.690 -3.440 1.00 0.00 H new ATOM 708 N LYS A 45 4.660 -1.202 2.756 1.00 0.00 N ATOM 709 CA LYS A 45 5.442 -1.900 3.753 1.00 0.00 C ATOM 710 C LYS A 45 4.535 -2.548 4.798 1.00 0.00 C ATOM 711 O LYS A 45 4.744 -3.690 5.173 1.00 0.00 O ATOM 712 CB LYS A 45 6.447 -0.947 4.417 1.00 0.00 C ATOM 713 CG LYS A 45 7.331 -1.602 5.477 1.00 0.00 C ATOM 714 CD LYS A 45 8.135 -2.771 4.917 1.00 0.00 C ATOM 715 CE LYS A 45 9.205 -2.307 3.937 1.00 0.00 C ATOM 716 NZ LYS A 45 10.190 -1.400 4.576 1.00 0.00 N ATOM 0 H LYS A 45 4.836 -0.199 2.707 1.00 0.00 H new ATOM 0 HA LYS A 45 6.002 -2.692 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.085 -0.516 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.900 -0.123 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.013 -0.858 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.708 -1.953 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.605 -3.314 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.462 -3.468 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.723 -3.175 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.732 -1.795 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.041 -1.337 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.772 -0.454 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.448 -1.772 5.512 1.00 0.00 H new ATOM 730 N ALA A 46 3.503 -1.827 5.232 1.00 0.00 N ATOM 731 CA ALA A 46 2.568 -2.338 6.234 1.00 0.00 C ATOM 732 C ALA A 46 1.970 -3.664 5.787 1.00 0.00 C ATOM 733 O ALA A 46 2.026 -4.660 6.512 1.00 0.00 O ATOM 734 CB ALA A 46 1.465 -1.328 6.510 1.00 0.00 C ATOM 0 H ALA A 46 3.292 -0.884 4.905 1.00 0.00 H new ATOM 0 HA ALA A 46 3.123 -2.503 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.782 -1.730 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.904 -0.402 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.917 -1.127 5.589 1.00 0.00 H new ATOM 740 N TYR A 47 1.410 -3.689 4.581 1.00 0.00 N ATOM 741 CA TYR A 47 0.830 -4.910 4.036 1.00 0.00 C ATOM 742 C TYR A 47 1.888 -6.009 3.895 1.00 0.00 C ATOM 743 O TYR A 47 1.636 -7.185 4.205 1.00 0.00 O ATOM 744 CB TYR A 47 0.162 -4.632 2.678 1.00 0.00 C ATOM 745 CG TYR A 47 -0.118 -5.885 1.864 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.274 -6.623 2.066 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.781 -6.327 0.900 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.532 -7.765 1.333 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.532 -7.466 0.162 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.625 -8.183 0.381 1.00 0.00 C ATOM 751 OH TYR A 47 -0.877 -9.325 -0.352 1.00 0.00 O ATOM 0 H TYR A 47 1.346 -2.879 3.964 1.00 0.00 H new ATOM 0 HA TYR A 47 0.069 -5.260 4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.776 -4.102 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.803 -3.968 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.986 -6.299 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.689 -5.770 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.438 -8.327 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.240 -7.794 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.141 -9.480 -0.980 1.00 0.00 H new ATOM 761 N CYS A 48 3.071 -5.623 3.447 1.00 0.00 N ATOM 762 CA CYS A 48 4.158 -6.570 3.229 1.00 0.00 C ATOM 763 C CYS A 48 4.618 -7.187 4.542 1.00 0.00 C ATOM 764 O CYS A 48 4.973 -8.362 4.602 1.00 0.00 O ATOM 765 CB CYS A 48 5.319 -5.894 2.505 1.00 0.00 C ATOM 766 SG CYS A 48 4.886 -5.262 0.874 1.00 0.00 S ATOM 0 H CYS A 48 3.306 -4.656 3.225 1.00 0.00 H new ATOM 0 HA CYS A 48 3.785 -7.377 2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.688 -5.071 3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.137 -6.607 2.403 1.00 0.00 H new ATOM 0 HG CYS A 48 4.178 -4.179 1.002 1.00 0.00 H new ATOM 772 N GLU A 49 4.582 -6.401 5.597 1.00 0.00 N ATOM 773 CA GLU A 49 4.958 -6.858 6.924 1.00 0.00 C ATOM 774 C GLU A 49 3.927 -7.833 7.475 1.00 0.00 C ATOM 775 O GLU A 49 4.259 -8.774 8.186 1.00 0.00 O ATOM 776 CB GLU A 49 5.081 -5.667 7.858 1.00 0.00 C ATOM 777 CG GLU A 49 6.240 -4.753 7.527 1.00 0.00 C ATOM 778 CD GLU A 49 7.559 -5.291 8.023 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.701 -5.482 9.248 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.457 -5.537 7.198 1.00 0.00 O ATOM 0 H GLU A 49 4.291 -5.424 5.562 1.00 0.00 H new ATOM 0 HA GLU A 49 5.917 -7.372 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.155 -5.093 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.195 -6.028 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.291 -4.613 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.062 -3.772 7.968 1.00 0.00 H new ATOM 787 N ARG A 50 2.666 -7.601 7.145 1.00 0.00 N ATOM 788 CA ARG A 50 1.580 -8.453 7.626 1.00 0.00 C ATOM 789 C ARG A 50 1.576 -9.786 6.910 1.00 0.00 C ATOM 790 O ARG A 50 1.463 -10.843 7.527 1.00 0.00 O ATOM 791 CB ARG A 50 0.231 -7.770 7.415 1.00 0.00 C ATOM 792 CG ARG A 50 0.106 -6.397 8.053 1.00 0.00 C ATOM 793 CD ARG A 50 0.265 -6.444 9.565 1.00 0.00 C ATOM 794 NE ARG A 50 1.650 -6.681 9.986 1.00 0.00 N ATOM 795 CZ ARG A 50 2.009 -6.992 11.233 1.00 0.00 C ATOM 796 NH1 ARG A 50 1.086 -7.100 12.177 1.00 0.00 N ATOM 797 NH2 ARG A 50 3.289 -7.188 11.534 1.00 0.00 N ATOM 0 H ARG A 50 2.365 -6.831 6.547 1.00 0.00 H new ATOM 0 HA ARG A 50 1.742 -8.622 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.051 -7.675 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.553 -8.414 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.861 -5.733 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.867 -5.971 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.083 -5.503 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.372 -7.232 9.968 1.00 0.00 H new ATOM 0 HE ARG A 50 2.384 -6.603 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.104 -6.946 11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.358 -7.338 13.131 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.002 -7.101 10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.558 -7.425 12.489 1.00 0.00 H new ATOM 811 N GLN A 51 1.698 -9.735 5.603 1.00 0.00 N ATOM 812 CA GLN A 51 1.660 -10.939 4.787 1.00 0.00 C ATOM 813 C GLN A 51 2.995 -11.668 4.782 1.00 0.00 C ATOM 814 O GLN A 51 3.055 -12.864 4.503 1.00 0.00 O ATOM 815 CB GLN A 51 1.228 -10.606 3.356 1.00 0.00 C ATOM 816 CG GLN A 51 -0.220 -10.975 3.044 1.00 0.00 C ATOM 817 CD GLN A 51 -1.238 -10.274 3.936 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.944 -9.051 4.343 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.290 -10.826 4.238 1.00 0.00 N flip ATOM 0 H GLN A 51 1.825 -8.871 5.075 1.00 0.00 H new ATOM 0 HA GLN A 51 0.924 -11.608 5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.365 -9.538 3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.884 -11.127 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.432 -10.729 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.341 -12.053 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.484 -11.771 3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.972 -10.341 4.821 1.00 0.00 H new ATOM 828 N GLY A 52 4.066 -10.960 5.101 1.00 0.00 N ATOM 829 CA GLY A 52 5.372 -11.581 5.112 1.00 0.00 C ATOM 830 C GLY A 52 5.910 -11.769 3.712 1.00 0.00 C ATOM 831 O GLY A 52 6.220 -12.881 3.300 1.00 0.00 O ATOM 0 H GLY A 52 4.055 -9.971 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.063 -10.966 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.312 -12.548 5.612 1.00 0.00 H new ATOM 835 N LEU A 53 6.024 -10.684 2.976 1.00 0.00 N ATOM 836 CA LEU A 53 6.471 -10.744 1.601 1.00 0.00 C ATOM 837 C LEU A 53 7.255 -9.492 1.230 1.00 0.00 C ATOM 838 O LEU A 53 7.357 -8.556 2.021 1.00 0.00 O ATOM 839 CB LEU A 53 5.286 -10.993 0.638 1.00 0.00 C ATOM 840 CG LEU A 53 4.037 -10.122 0.836 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.293 -8.695 0.407 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.857 -10.704 0.074 1.00 0.00 C ATOM 0 H LEU A 53 5.812 -9.744 3.310 1.00 0.00 H new ATOM 0 HA LEU A 53 7.148 -11.593 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.642 -10.850 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.989 -12.038 0.728 1.00 0.00 H new ATOM 0 HG LEU A 53 3.797 -10.115 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.391 -8.102 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.106 -8.277 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.567 -8.676 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.980 -10.075 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.095 -10.746 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.649 -11.710 0.439 1.00 0.00 H new ATOM 854 N SER A 54 7.797 -9.470 0.033 1.00 0.00 N ATOM 855 CA SER A 54 8.589 -8.348 -0.426 1.00 0.00 C ATOM 856 C SER A 54 7.749 -7.395 -1.273 1.00 0.00 C ATOM 857 O SER A 54 7.062 -7.821 -2.204 1.00 0.00 O ATOM 858 CB SER A 54 9.756 -8.866 -1.250 1.00 0.00 C ATOM 859 OG SER A 54 10.529 -9.804 -0.520 1.00 0.00 O ATOM 0 H SER A 54 7.703 -10.224 -0.647 1.00 0.00 H new ATOM 0 HA SER A 54 8.955 -7.801 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.381 -9.332 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.387 -8.031 -1.555 1.00 0.00 H new ATOM 0 HG SER A 54 11.271 -10.120 -1.077 1.00 0.00 H new ATOM 865 N MET A 55 7.823 -6.098 -0.972 1.00 0.00 N ATOM 866 CA MET A 55 7.078 -5.087 -1.730 1.00 0.00 C ATOM 867 C MET A 55 7.591 -4.990 -3.160 1.00 0.00 C ATOM 868 O MET A 55 6.857 -4.627 -4.077 1.00 0.00 O ATOM 869 CB MET A 55 7.154 -3.705 -1.057 1.00 0.00 C ATOM 870 CG MET A 55 8.566 -3.219 -0.763 1.00 0.00 C ATOM 871 SD MET A 55 8.678 -1.424 -0.651 1.00 0.00 S ATOM 872 CE MET A 55 7.457 -1.081 0.609 1.00 0.00 C ATOM 0 H MET A 55 8.389 -5.722 -0.211 1.00 0.00 H new ATOM 0 HA MET A 55 6.035 -5.405 -1.747 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.659 -2.976 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.594 -3.739 -0.122 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.909 -3.659 0.173 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.237 -3.572 -1.546 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.631 -0.520 0.172 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.083 -2.019 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.912 -0.494 1.407 1.00 0.00 H new ATOM 882 N ARG A 56 8.855 -5.335 -3.354 1.00 0.00 N ATOM 883 CA ARG A 56 9.470 -5.285 -4.673 1.00 0.00 C ATOM 884 C ARG A 56 9.016 -6.459 -5.541 1.00 0.00 C ATOM 885 O ARG A 56 9.209 -6.464 -6.753 1.00 0.00 O ATOM 886 CB ARG A 56 10.994 -5.287 -4.551 1.00 0.00 C ATOM 887 CG ARG A 56 11.565 -6.526 -3.884 1.00 0.00 C ATOM 888 CD ARG A 56 13.079 -6.532 -3.940 1.00 0.00 C ATOM 889 NE ARG A 56 13.578 -6.646 -5.314 1.00 0.00 N ATOM 890 CZ ARG A 56 14.655 -7.355 -5.671 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.344 -8.033 -4.759 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.041 -7.382 -6.943 1.00 0.00 N ATOM 0 H ARG A 56 9.478 -5.654 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 56 9.151 -4.360 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.427 -5.192 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.303 -4.408 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.237 -6.566 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.177 -7.418 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.462 -5.616 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.460 -7.362 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 56 13.070 -6.151 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.052 -8.014 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.164 -8.572 -5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.516 -6.862 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.862 -7.922 -7.215 1.00 0.00 H new ATOM 906 N GLN A 57 8.403 -7.451 -4.918 1.00 0.00 N ATOM 907 CA GLN A 57 7.955 -8.646 -5.629 1.00 0.00 C ATOM 908 C GLN A 57 6.468 -8.577 -5.893 1.00 0.00 C ATOM 909 O GLN A 57 5.871 -9.496 -6.452 1.00 0.00 O ATOM 910 CB GLN A 57 8.273 -9.888 -4.807 1.00 0.00 C ATOM 911 CG GLN A 57 9.738 -10.014 -4.439 1.00 0.00 C ATOM 912 CD GLN A 57 10.622 -10.322 -5.628 1.00 0.00 C ATOM 913 OE1 GLN A 57 11.083 -9.286 -6.303 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.882 -11.480 -5.940 1.00 0.00 N flip ATOM 0 H GLN A 57 8.202 -7.456 -3.918 1.00 0.00 H new ATOM 0 HA GLN A 57 8.479 -8.700 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.678 -9.871 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.971 -10.772 -5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.072 -9.085 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.853 -10.801 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.505 -12.253 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.475 -11.670 -6.748 1.00 0.00 H new ATOM 923 N ILE A 58 5.862 -7.479 -5.501 1.00 0.00 N ATOM 924 CA ILE A 58 4.443 -7.293 -5.663 1.00 0.00 C ATOM 925 C ILE A 58 4.173 -5.899 -6.202 1.00 0.00 C ATOM 926 O ILE A 58 5.100 -5.103 -6.365 1.00 0.00 O ATOM 927 CB ILE A 58 3.677 -7.487 -4.325 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.215 -6.554 -3.258 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.790 -8.922 -3.849 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.333 -6.463 -2.038 1.00 0.00 C ATOM 0 H ILE A 58 6.341 -6.693 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 58 4.086 -8.046 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 58 2.628 -7.252 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.206 -6.893 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.336 -5.558 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.247 -9.038 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.365 -9.589 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.839 -9.172 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.779 -5.778 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.349 -6.094 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.233 -7.450 -1.587 1.00 0.00 H new ATOM 942 N ARG A 59 2.919 -5.600 -6.478 1.00 0.00 N ATOM 943 CA ARG A 59 2.534 -4.292 -6.986 1.00 0.00 C ATOM 944 C ARG A 59 1.164 -3.901 -6.490 1.00 0.00 C ATOM 945 O ARG A 59 0.337 -4.761 -6.171 1.00 0.00 O ATOM 946 CB ARG A 59 2.583 -4.239 -8.514 1.00 0.00 C ATOM 947 CG ARG A 59 3.981 -4.064 -9.086 1.00 0.00 C ATOM 948 CD ARG A 59 4.617 -2.763 -8.606 1.00 0.00 C ATOM 949 NE ARG A 59 3.896 -1.582 -9.085 1.00 0.00 N ATOM 950 CZ ARG A 59 3.544 -0.546 -8.319 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.818 -0.546 -7.014 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.926 0.497 -8.858 1.00 0.00 N ATOM 0 H ARG A 59 2.141 -6.249 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 59 3.260 -3.574 -6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.152 -5.157 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.956 -3.417 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.605 -4.907 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.934 -4.068 -10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.642 -2.754 -7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.651 -2.719 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 59 3.645 -1.548 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.300 -1.341 -6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.546 0.249 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.720 0.507 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.657 1.288 -8.273 1.00 0.00 H new ATOM 966 N PHE A 60 0.925 -2.594 -6.427 1.00 0.00 N ATOM 967 CA PHE A 60 -0.329 -2.055 -5.915 1.00 0.00 C ATOM 968 C PHE A 60 -1.057 -1.241 -6.987 1.00 0.00 C ATOM 969 O PHE A 60 -0.454 -0.387 -7.666 1.00 0.00 O ATOM 970 CB PHE A 60 -0.073 -1.169 -4.672 1.00 0.00 C ATOM 971 CG PHE A 60 0.456 -1.906 -3.466 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.670 -2.573 -3.512 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.256 -1.911 -2.282 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.158 -3.234 -2.404 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.229 -2.573 -1.169 1.00 0.00 C ATOM 976 CZ PHE A 60 1.438 -3.235 -1.231 1.00 0.00 C ATOM 0 H PHE A 60 1.592 -1.883 -6.728 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.959 -2.897 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.636 -0.386 -4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.005 -0.675 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.242 -2.575 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.202 -1.392 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.105 -3.751 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.339 -2.572 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.818 -3.752 -0.362 1.00 0.00 H new ATOM 986 N ARG A 61 -2.349 -1.498 -7.146 1.00 0.00 N ATOM 987 CA ARG A 61 -3.162 -0.768 -8.115 1.00 0.00 C ATOM 988 C ARG A 61 -4.492 -0.340 -7.504 1.00 0.00 C ATOM 989 O ARG A 61 -5.107 -1.075 -6.727 1.00 0.00 O ATOM 990 CB ARG A 61 -3.369 -1.591 -9.396 1.00 0.00 C ATOM 991 CG ARG A 61 -4.156 -2.870 -9.216 1.00 0.00 C ATOM 992 CD ARG A 61 -5.624 -2.720 -9.594 1.00 0.00 C ATOM 993 NE ARG A 61 -6.286 -4.026 -9.631 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.548 -4.244 -9.998 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.333 -3.235 -10.350 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.027 -5.482 -9.991 1.00 0.00 N ATOM 0 H ARG A 61 -2.858 -2.206 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.622 0.137 -8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.880 -0.969 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.392 -1.839 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.708 -3.655 -9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.084 -3.192 -8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.126 -2.073 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.706 -2.237 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.734 -4.837 -9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.972 -2.281 -10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.298 -3.413 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.430 -6.258 -9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.992 -5.657 -10.271 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.930 0.852 -7.855 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.149 1.423 -7.323 1.00 0.00 C ATOM 1012 C PHE A 62 -6.880 2.175 -8.421 1.00 0.00 C ATOM 1013 O PHE A 62 -6.262 2.843 -9.226 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.800 2.380 -6.171 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.973 3.113 -5.580 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.725 2.540 -4.573 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.313 4.382 -6.025 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.792 3.214 -4.022 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.382 5.060 -5.478 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.124 4.475 -4.473 1.00 0.00 C ATOM 0 H PHE A 62 -4.447 1.455 -8.521 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.794 0.629 -6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.310 1.811 -5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.077 3.112 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.474 1.553 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.733 4.845 -6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.371 2.754 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.638 6.047 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.962 5.002 -4.041 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.200 2.055 -8.454 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.037 2.750 -9.455 1.00 0.00 C ATOM 1032 C ASP A 63 -8.630 2.375 -10.872 1.00 0.00 C ATOM 1033 O ASP A 63 -8.821 3.147 -11.812 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.911 4.262 -9.292 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.141 5.012 -9.775 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.165 5.013 -9.055 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.097 5.593 -10.881 1.00 0.00 O ATOM 0 H ASP A 63 -8.729 1.480 -7.798 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.069 2.441 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.738 4.496 -8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.038 4.611 -9.844 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.090 1.189 -11.047 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.643 0.795 -12.356 1.00 0.00 C ATOM 1044 C GLY A 64 -6.283 1.370 -12.723 1.00 0.00 C ATOM 1045 O GLY A 64 -5.740 1.066 -13.789 1.00 0.00 O ATOM 0 H GLY A 64 -7.953 0.495 -10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.595 -0.293 -12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.377 1.115 -13.095 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.720 2.199 -11.855 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.426 2.805 -12.120 1.00 0.00 C ATOM 1051 C GLN A 65 -3.392 2.393 -11.069 1.00 0.00 C ATOM 1052 O GLN A 65 -3.704 2.258 -9.889 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.546 4.337 -12.218 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.239 4.997 -11.036 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.534 6.460 -11.284 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.725 7.337 -10.984 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.691 6.728 -11.844 1.00 0.00 N ATOM 0 H GLN A 65 -6.139 2.466 -10.964 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.075 2.435 -13.084 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.547 4.760 -12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.091 4.588 -13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.171 4.472 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.611 4.901 -10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.333 5.970 -12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.948 7.694 -12.046 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.159 2.152 -11.501 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.075 1.751 -10.608 1.00 0.00 C ATOM 1068 C PRO A 66 -0.565 2.914 -9.758 1.00 0.00 C ATOM 1069 O PRO A 66 -0.554 4.070 -10.193 1.00 0.00 O ATOM 1070 CB PRO A 66 0.012 1.281 -11.570 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.232 2.060 -12.817 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.719 2.250 -12.903 1.00 0.00 C ATOM 0 HA PRO A 66 -1.392 0.992 -9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.007 1.474 -11.170 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.056 0.208 -11.752 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.283 3.020 -12.784 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.144 1.527 -13.690 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.976 3.216 -13.338 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.186 1.486 -13.525 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.131 2.615 -8.544 1.00 0.00 N ATOM 1081 CA ILE A 67 0.389 3.646 -7.654 1.00 0.00 C ATOM 1082 C ILE A 67 1.705 3.208 -7.042 1.00 0.00 C ATOM 1083 O ILE A 67 1.889 2.035 -6.704 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.598 4.030 -6.510 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.029 2.794 -5.684 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.812 4.776 -7.063 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.175 2.011 -6.275 1.00 0.00 C ATOM 0 H ILE A 67 -0.127 1.673 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 67 0.532 4.530 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.069 4.701 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.171 2.130 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.309 3.122 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.485 5.033 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.483 5.688 -7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.335 4.140 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.408 1.164 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.050 2.655 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.896 1.647 -7.264 1.00 0.00 H new ATOM 1099 N ASN A 68 2.647 4.121 -6.950 1.00 0.00 N ATOM 1100 CA ASN A 68 3.922 3.814 -6.320 1.00 0.00 C ATOM 1101 C ASN A 68 3.957 4.301 -4.897 1.00 0.00 C ATOM 1102 O ASN A 68 3.125 5.104 -4.483 1.00 0.00 O ATOM 1103 CB ASN A 68 5.123 4.381 -7.103 1.00 0.00 C ATOM 1104 CG ASN A 68 4.941 5.796 -7.613 1.00 0.00 C ATOM 1105 OD1 ASN A 68 4.196 6.596 -6.900 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 5.482 6.159 -8.647 1.00 0.00 N flip ATOM 0 H ASN A 68 2.560 5.076 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 68 4.011 2.728 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.003 4.352 -6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.326 3.728 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.057 5.505 -9.178 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.358 7.116 -8.979 1.00 0.00 H new ATOM 1113 N GLU A 69 4.933 3.830 -4.148 1.00 0.00 N ATOM 1114 CA GLU A 69 5.096 4.202 -2.747 1.00 0.00 C ATOM 1115 C GLU A 69 5.344 5.696 -2.573 1.00 0.00 C ATOM 1116 O GLU A 69 5.212 6.233 -1.473 1.00 0.00 O ATOM 1117 CB GLU A 69 6.238 3.418 -2.118 1.00 0.00 C ATOM 1118 CG GLU A 69 7.494 3.391 -2.953 1.00 0.00 C ATOM 1119 CD GLU A 69 8.725 3.121 -2.126 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.086 1.940 -1.948 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.341 4.103 -1.644 1.00 0.00 O ATOM 0 H GLU A 69 5.639 3.178 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 69 4.161 3.958 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.470 3.851 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.909 2.394 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.400 2.624 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.607 4.346 -3.467 1.00 0.00 H new ATOM 1128 N THR A 70 5.722 6.368 -3.646 1.00 0.00 N ATOM 1129 CA THR A 70 5.974 7.789 -3.589 1.00 0.00 C ATOM 1130 C THR A 70 4.673 8.577 -3.717 1.00 0.00 C ATOM 1131 O THR A 70 4.664 9.802 -3.618 1.00 0.00 O ATOM 1132 CB THR A 70 6.965 8.233 -4.687 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.373 8.072 -5.972 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.233 7.408 -4.625 1.00 0.00 C ATOM 0 H THR A 70 5.860 5.949 -4.565 1.00 0.00 H new ATOM 0 HA THR A 70 6.422 7.999 -2.618 1.00 0.00 H new ATOM 0 HB THR A 70 7.209 9.282 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.546 7.553 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.919 7.736 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.704 7.538 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.990 6.356 -4.773 1.00 0.00 H new ATOM 1142 N ASP A 71 3.562 7.873 -3.944 1.00 0.00 N ATOM 1143 CA ASP A 71 2.264 8.525 -4.061 1.00 0.00 C ATOM 1144 C ASP A 71 1.620 8.642 -2.689 1.00 0.00 C ATOM 1145 O ASP A 71 1.970 7.909 -1.766 1.00 0.00 O ATOM 1146 CB ASP A 71 1.334 7.739 -5.012 1.00 0.00 C ATOM 1147 CG ASP A 71 1.627 7.968 -6.486 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.996 9.105 -6.862 1.00 0.00 O ATOM 1149 OD2 ASP A 71 1.491 7.008 -7.282 1.00 0.00 O ATOM 0 H ASP A 71 3.538 6.859 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 71 2.417 9.521 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.423 6.675 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.301 8.020 -4.809 1.00 0.00 H new ATOM 1154 N THR A 72 0.712 9.587 -2.537 1.00 0.00 N ATOM 1155 CA THR A 72 -0.024 9.771 -1.292 1.00 0.00 C ATOM 1156 C THR A 72 -1.521 9.552 -1.525 1.00 0.00 C ATOM 1157 O THR A 72 -2.021 9.810 -2.621 1.00 0.00 O ATOM 1158 CB THR A 72 0.197 11.193 -0.736 1.00 0.00 C ATOM 1159 OG1 THR A 72 0.118 12.149 -1.810 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.545 11.304 -0.042 1.00 0.00 C ATOM 0 H THR A 72 0.461 10.250 -3.270 1.00 0.00 H new ATOM 0 HA THR A 72 0.345 9.042 -0.570 1.00 0.00 H new ATOM 0 HB THR A 72 -0.581 11.402 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.257 13.052 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.675 12.316 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.588 10.595 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.340 11.080 -0.753 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.272 9.089 -0.499 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.716 8.839 -0.630 1.00 0.00 C ATOM 1170 C PRO A 73 -4.507 10.127 -0.880 1.00 0.00 C ATOM 1171 O PRO A 73 -5.681 10.096 -1.259 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.102 8.226 0.723 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.047 8.687 1.663 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.782 8.767 0.859 1.00 0.00 C ATOM 0 HA PRO A 73 -3.941 8.195 -1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.089 8.560 1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.136 7.138 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.301 9.658 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.936 7.993 2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.110 9.537 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.232 7.826 0.877 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.859 11.263 -0.678 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.488 12.553 -0.890 1.00 0.00 C ATOM 1184 C ALA A 74 -4.188 13.076 -2.278 1.00 0.00 C ATOM 1185 O ALA A 74 -4.816 14.015 -2.747 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.023 13.550 0.152 1.00 0.00 C ATOM 0 H ALA A 74 -2.890 11.315 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.566 12.422 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.506 14.511 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.287 13.188 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.942 13.669 0.085 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.219 12.465 -2.945 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.839 12.885 -4.284 1.00 0.00 C ATOM 1194 C GLN A 75 -3.912 12.487 -5.282 1.00 0.00 C ATOM 1195 O GLN A 75 -4.194 13.203 -6.231 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.502 12.268 -4.675 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.956 12.766 -6.001 1.00 0.00 C ATOM 1198 CD GLN A 75 0.307 12.046 -6.419 1.00 0.00 C ATOM 1199 OE1 GLN A 75 1.097 11.617 -5.450 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 0.576 11.889 -7.608 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.683 11.678 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.736 13.970 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.774 12.478 -3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.614 11.185 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.715 12.638 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.753 13.834 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.061 12.235 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.436 11.412 -7.878 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.520 11.338 -5.053 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.578 10.856 -5.919 1.00 0.00 C ATOM 1211 C LEU A 76 -6.928 10.958 -5.226 1.00 0.00 C ATOM 1212 O LEU A 76 -7.957 10.588 -5.784 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.306 9.409 -6.440 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.648 8.389 -5.471 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.161 8.667 -5.289 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.354 8.366 -4.129 1.00 0.00 C ATOM 0 H LEU A 76 -4.298 10.720 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.598 11.500 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.257 8.990 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.670 9.487 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.752 7.404 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.735 7.933 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.657 8.599 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.025 9.668 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.868 7.642 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.305 9.356 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.397 8.084 -4.271 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.904 11.474 -3.997 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.104 11.692 -3.192 1.00 0.00 C ATOM 1230 C GLU A 77 -8.957 10.431 -3.069 1.00 0.00 C ATOM 1231 O GLU A 77 -10.104 10.392 -3.517 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.932 12.843 -3.760 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.175 14.155 -3.846 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.013 15.261 -4.430 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.177 15.298 -5.664 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.525 16.098 -3.658 1.00 0.00 O ATOM 0 H GLU A 77 -6.042 11.755 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.771 11.956 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.282 12.570 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.816 12.984 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.839 14.444 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.282 14.018 -4.456 1.00 0.00 H new ATOM 1243 N MET A 78 -8.392 9.391 -2.488 1.00 0.00 N ATOM 1244 CA MET A 78 -9.136 8.160 -2.268 1.00 0.00 C ATOM 1245 C MET A 78 -10.017 8.286 -1.036 1.00 0.00 C ATOM 1246 O MET A 78 -9.855 9.212 -0.226 1.00 0.00 O ATOM 1247 CB MET A 78 -8.201 6.956 -2.135 1.00 0.00 C ATOM 1248 CG MET A 78 -7.113 7.129 -1.096 1.00 0.00 C ATOM 1249 SD MET A 78 -6.140 5.631 -0.832 1.00 0.00 S ATOM 1250 CE MET A 78 -5.761 5.144 -2.511 1.00 0.00 C ATOM 0 H MET A 78 -7.426 9.370 -2.160 1.00 0.00 H new ATOM 0 HA MET A 78 -9.770 7.994 -3.139 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.793 6.076 -1.882 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.737 6.761 -3.102 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.449 7.936 -1.405 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.566 7.432 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.299 4.228 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.063 5.936 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.689 4.971 -2.607 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.938 7.362 -0.881 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.878 7.402 0.224 1.00 0.00 C ATOM 1262 C GLU A 79 -11.355 6.617 1.410 1.00 0.00 C ATOM 1263 O GLU A 79 -10.380 5.867 1.298 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.227 6.836 -0.213 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.800 7.501 -1.450 1.00 0.00 C ATOM 1266 CD GLU A 79 -13.929 9.003 -1.296 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -14.911 9.463 -0.678 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.052 9.731 -1.781 1.00 0.00 O ATOM 0 H GLU A 79 -11.059 6.567 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.002 8.442 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.118 5.768 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.937 6.942 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.162 7.281 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.780 7.076 -1.666 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.992 6.784 2.554 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.599 6.053 3.734 1.00 0.00 C ATOM 1277 C ASP A 80 -12.162 4.652 3.688 1.00 0.00 C ATOM 1278 O ASP A 80 -13.292 4.429 3.246 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.038 6.758 5.022 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.537 6.833 5.181 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.149 7.779 4.651 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.110 5.954 5.850 1.00 0.00 O ATOM 0 H ASP A 80 -12.780 7.418 2.687 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.510 6.007 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.615 6.232 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.628 7.768 5.033 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.348 3.712 4.109 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.674 2.296 4.144 1.00 0.00 C ATOM 1289 C GLU A 81 -11.722 1.704 2.743 1.00 0.00 C ATOM 1290 O GLU A 81 -12.240 0.603 2.535 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.971 2.014 4.915 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.914 2.436 6.374 1.00 0.00 C ATOM 1293 CD GLU A 81 -13.925 1.707 7.228 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -13.628 0.576 7.674 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.025 2.257 7.460 1.00 0.00 O ATOM 0 H GLU A 81 -10.408 3.914 4.449 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.870 1.801 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.795 2.534 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.191 0.948 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.913 2.250 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.090 3.509 6.445 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.171 2.432 1.766 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.096 1.938 0.398 1.00 0.00 C ATOM 1304 C ASP A 82 -10.112 0.774 0.328 1.00 0.00 C ATOM 1305 O ASP A 82 -9.469 0.430 1.320 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.655 3.042 -0.558 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.384 2.962 -1.891 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.287 1.913 -2.566 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.061 3.943 -2.267 1.00 0.00 O ATOM 0 H ASP A 82 -10.773 3.361 1.902 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.088 1.601 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.840 4.014 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.581 2.969 -0.727 1.00 0.00 H new ATOM 1314 N THR A 83 -9.973 0.166 -0.823 1.00 0.00 N ATOM 1315 CA THR A 83 -9.101 -0.983 -0.945 1.00 0.00 C ATOM 1316 C THR A 83 -8.218 -0.896 -2.198 1.00 0.00 C ATOM 1317 O THR A 83 -8.597 -0.306 -3.214 1.00 0.00 O ATOM 1318 CB THR A 83 -9.921 -2.288 -0.963 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.015 -2.160 -0.043 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.068 -3.471 -0.533 1.00 0.00 C ATOM 0 H THR A 83 -10.446 0.441 -1.684 1.00 0.00 H new ATOM 0 HA THR A 83 -8.446 -0.987 -0.074 1.00 0.00 H new ATOM 0 HB THR A 83 -10.280 -2.459 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.545 -2.985 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.669 -4.380 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.224 -3.578 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.698 -3.304 0.479 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.038 -1.491 -2.111 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.063 -1.488 -3.192 1.00 0.00 C ATOM 1330 C ILE A 84 -5.756 -2.931 -3.573 1.00 0.00 C ATOM 1331 O ILE A 84 -5.700 -3.802 -2.709 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.733 -0.762 -2.773 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.944 0.749 -2.590 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.622 -1.010 -3.780 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.673 1.125 -1.323 1.00 0.00 C ATOM 0 H ILE A 84 -6.727 -1.994 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.484 -0.945 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.434 -1.186 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.972 1.243 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.502 1.132 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.718 -0.493 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.424 -2.080 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.926 -0.635 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.780 2.209 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.660 0.663 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.106 0.776 -0.460 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.570 -3.192 -4.854 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.298 -4.545 -5.326 1.00 0.00 C ATOM 1349 C ASP A 85 -3.821 -4.811 -5.365 1.00 0.00 C ATOM 1350 O ASP A 85 -3.031 -3.967 -5.805 1.00 0.00 O ATOM 1351 CB ASP A 85 -5.863 -4.738 -6.711 1.00 0.00 C ATOM 1352 CG ASP A 85 -5.651 -6.130 -7.268 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -5.989 -7.114 -6.590 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.172 -6.241 -8.415 1.00 0.00 O ATOM 0 H ASP A 85 -5.602 -2.487 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.770 -5.241 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.932 -4.524 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.405 -4.013 -7.384 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.440 -5.971 -4.906 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.067 -6.376 -4.913 1.00 0.00 C ATOM 1361 C VAL A 86 -1.878 -7.626 -5.734 1.00 0.00 C ATOM 1362 O VAL A 86 -2.633 -8.597 -5.620 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.524 -6.591 -3.474 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.375 -7.593 -3.450 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.063 -5.275 -2.905 1.00 0.00 C ATOM 0 H VAL A 86 -4.079 -6.664 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.496 -5.568 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.333 -6.996 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.022 -7.717 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.721 -8.553 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.441 -7.226 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.682 -5.429 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.272 -4.864 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.901 -4.578 -2.875 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.875 -7.604 -6.556 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.546 -8.728 -7.390 1.00 0.00 C ATOM 1377 C PHE A 87 0.920 -9.039 -7.271 1.00 0.00 C ATOM 1378 O PHE A 87 1.761 -8.137 -7.239 1.00 0.00 O ATOM 1379 CB PHE A 87 -0.961 -8.495 -8.844 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.756 -7.091 -9.346 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.590 -6.067 -8.924 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.254 -6.798 -10.242 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.421 -4.784 -9.376 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.430 -5.509 -10.706 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.410 -4.498 -10.271 1.00 0.00 C ATOM 0 H PHE A 87 -0.255 -6.802 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.111 -9.593 -7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.399 -9.178 -9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.015 -8.753 -8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.386 -6.284 -8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.912 -7.584 -10.583 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.078 -3.998 -9.032 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.222 -5.290 -11.407 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.275 -3.489 -10.631 1.00 0.00 H new ATOM 1395 N GLN A 88 1.238 -10.308 -7.180 1.00 0.00 N ATOM 1396 CA GLN A 88 2.602 -10.719 -6.965 1.00 0.00 C ATOM 1397 C GLN A 88 3.196 -11.310 -8.221 1.00 0.00 C ATOM 1398 O GLN A 88 2.745 -12.353 -8.710 1.00 0.00 O ATOM 1399 CB GLN A 88 2.682 -11.726 -5.817 1.00 0.00 C ATOM 1400 CG GLN A 88 1.679 -11.460 -4.696 1.00 0.00 C ATOM 1401 CD GLN A 88 2.039 -12.141 -3.393 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.161 -12.597 -2.662 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.318 -12.144 -3.058 1.00 0.00 N ATOM 0 H GLN A 88 0.568 -11.074 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 88 3.181 -9.835 -6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.515 -12.728 -6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.690 -11.711 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.609 -10.385 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.692 -11.798 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.013 -11.755 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.610 -12.535 -2.162 1.00 0.00 H new ATOM 1412 N GLN A 89 4.172 -10.618 -8.774 1.00 0.00 N ATOM 1413 CA GLN A 89 4.895 -11.087 -9.946 1.00 0.00 C ATOM 1414 C GLN A 89 5.574 -12.433 -9.672 1.00 0.00 C ATOM 1415 O GLN A 89 5.631 -12.902 -8.528 1.00 0.00 O ATOM 1416 CB GLN A 89 5.933 -10.054 -10.374 1.00 0.00 C ATOM 1417 CG GLN A 89 5.338 -8.720 -10.799 1.00 0.00 C ATOM 1418 CD GLN A 89 6.405 -7.719 -11.201 1.00 0.00 C ATOM 1419 OE1 GLN A 89 7.473 -8.095 -11.685 1.00 0.00 O ATOM 1420 NE2 GLN A 89 6.128 -6.445 -11.005 1.00 0.00 N ATOM 0 H GLN A 89 4.489 -9.713 -8.425 1.00 0.00 H new ATOM 0 HA GLN A 89 4.176 -11.226 -10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.625 -9.885 -9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.516 -10.460 -11.201 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.657 -8.878 -11.635 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.748 -8.310 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.231 -6.174 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.810 -5.730 -11.257 1.00 0.00 H new ATOM 1429 N GLN A 90 6.101 -13.048 -10.710 1.00 0.00 N ATOM 1430 CA GLN A 90 6.721 -14.351 -10.578 1.00 0.00 C ATOM 1431 C GLN A 90 8.119 -14.243 -9.982 1.00 0.00 C ATOM 1432 O GLN A 90 8.906 -13.367 -10.347 1.00 0.00 O ATOM 1433 CB GLN A 90 6.759 -15.073 -11.927 1.00 0.00 C ATOM 1434 CG GLN A 90 5.378 -15.358 -12.508 1.00 0.00 C ATOM 1435 CD GLN A 90 4.535 -16.257 -11.615 1.00 0.00 C ATOM 1436 OE1 GLN A 90 4.568 -17.476 -11.736 1.00 0.00 O ATOM 1437 NE2 GLN A 90 3.773 -15.657 -10.716 1.00 0.00 N ATOM 0 H GLN A 90 6.113 -12.667 -11.656 1.00 0.00 H new ATOM 0 HA GLN A 90 6.113 -14.940 -9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.325 -14.469 -12.637 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.296 -16.014 -11.810 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.854 -14.415 -12.665 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.490 -15.827 -13.485 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.772 -14.639 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.186 -16.212 -10.093 1.00 0.00 H new ATOM 1446 N THR A 91 8.422 -15.134 -9.065 1.00 0.00 N ATOM 1447 CA THR A 91 9.712 -15.155 -8.414 1.00 0.00 C ATOM 1448 C THR A 91 10.745 -15.806 -9.318 1.00 0.00 C ATOM 1449 O THR A 91 10.499 -16.869 -9.894 1.00 0.00 O ATOM 1450 CB THR A 91 9.649 -15.896 -7.070 1.00 0.00 C ATOM 1451 OG1 THR A 91 8.892 -17.107 -7.216 1.00 0.00 O ATOM 1452 CG2 THR A 91 9.013 -15.019 -6.003 1.00 0.00 C ATOM 0 H THR A 91 7.782 -15.863 -8.750 1.00 0.00 H new ATOM 0 HA THR A 91 10.004 -14.123 -8.218 1.00 0.00 H new ATOM 0 HB THR A 91 10.666 -16.138 -6.761 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.107 -17.526 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.978 -15.562 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.604 -14.112 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.000 -14.753 -6.307 1.00 0.00 H new ATOM 1460 N GLY A 92 11.903 -15.176 -9.448 1.00 0.00 N ATOM 1461 CA GLY A 92 12.929 -15.697 -10.327 1.00 0.00 C ATOM 1462 C GLY A 92 12.562 -15.518 -11.784 1.00 0.00 C ATOM 1463 O GLY A 92 12.612 -16.460 -12.571 1.00 0.00 O ATOM 0 H GLY A 92 12.150 -14.314 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.873 -15.191 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.084 -16.756 -10.118 1.00 0.00 H new ATOM 1467 N GLY A 93 12.181 -14.309 -12.149 1.00 0.00 N ATOM 1468 CA GLY A 93 11.806 -14.042 -13.515 1.00 0.00 C ATOM 1469 C GLY A 93 12.985 -13.602 -14.344 1.00 0.00 C ATOM 1470 O GLY A 93 13.225 -12.386 -14.441 1.00 0.00 O ATOM 1471 OXT GLY A 93 13.691 -14.470 -14.888 1.00 0.00 O ATOM 0 H GLY A 93 12.125 -13.506 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.368 -14.939 -13.953 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.038 -13.269 -13.536 1.00 0.00 H new TER 1475 GLY A 93