USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 20 MET CE :methyl -153:sc= -0.357 (180deg=-1.24!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.922 USER MOD Set 2.2: A 70 THR OG1 : rot -127:sc= 0.58 USER MOD Set 3.1: A 41 GLN : amide:sc= -0.558 K(o=-0.96,f=-4.9!) USER MOD Set 3.2: A 82 MET CE :methyl -134:sc= -0.399 (180deg=-0.345) USER MOD Single : A 6 SER OG : rot -35:sc= 1.25 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 1.18 K(o=1.2,f=-0.26) USER MOD Single : A 13 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=-0.085) USER MOD Single : A 18 THR OG1 : rot -46:sc= 1.18 USER MOD Single : A 19 SER OG : rot 56:sc= 1.32 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.0662 USER MOD Single : A 30 MET CE :methyl -109:sc= -0.954 (180deg=-4.92!) USER MOD Single : A 43 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.35) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0359) USER MOD Single : A 46 GLN : amide:sc= -8.38! C(o=-8.4!,f=-6.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0191 K(o=-0.019,f=-2.3!) USER MOD Single : A 49 SER OG : rot -81:sc= 1.12 USER MOD Single : A 51 CYS SG : rot -1:sc= -1.35! USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.019) USER MOD Single : A 54 GLN : amide:sc= -4.38! K(o=-4.4!,f=-0.36) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 143:sc= 1.15 USER MOD Single : A 66 SER OG : rot 160:sc= -2.07! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -74:sc= 0.622 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0.989) USER MOD Single : A 81 MET CE :methyl 154:sc= -0.313 (180deg=-1.11) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 18.652 2.360 3.492 1.00 0.00 N ATOM 2 CA ILE A 5 17.622 2.610 4.485 1.00 0.00 C ATOM 3 C ILE A 5 16.326 3.019 3.799 1.00 0.00 C ATOM 4 O ILE A 5 15.388 2.231 3.689 1.00 0.00 O ATOM 5 CB ILE A 5 18.047 3.723 5.472 1.00 0.00 C ATOM 6 CG1 ILE A 5 19.439 3.426 6.043 1.00 0.00 C ATOM 7 CG2 ILE A 5 17.025 3.851 6.598 1.00 0.00 C ATOM 8 CD1 ILE A 5 20.007 4.547 6.885 1.00 0.00 C ATOM 0 HA ILE A 5 17.472 1.688 5.046 1.00 0.00 H new ATOM 0 HB ILE A 5 18.089 4.669 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 5 19.387 2.521 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 5 20.123 3.221 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 5 17.337 4.638 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 5 16.051 4.101 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 5 16.956 2.906 7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.993 4.262 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 5 20.092 5.449 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 5 19.346 4.738 7.730 1.00 0.00 H new ATOM 20 N SER A 6 16.298 4.254 3.323 1.00 0.00 N ATOM 21 CA SER A 6 15.143 4.783 2.623 1.00 0.00 C ATOM 22 C SER A 6 15.133 4.308 1.177 1.00 0.00 C ATOM 23 O SER A 6 16.138 3.789 0.685 1.00 0.00 O ATOM 24 CB SER A 6 15.160 6.311 2.679 1.00 0.00 C ATOM 25 OG SER A 6 15.167 6.764 4.021 1.00 0.00 O ATOM 0 H SER A 6 17.072 4.913 3.411 1.00 0.00 H new ATOM 0 HA SER A 6 14.238 4.419 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.040 6.689 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.287 6.708 2.161 1.00 0.00 H new ATOM 0 HG SER A 6 14.628 6.160 4.573 1.00 0.00 H new ATOM 31 N SER A 7 13.991 4.489 0.512 1.00 0.00 N ATOM 32 CA SER A 7 13.815 4.104 -0.885 1.00 0.00 C ATOM 33 C SER A 7 13.663 2.590 -1.020 1.00 0.00 C ATOM 34 O SER A 7 12.582 2.109 -1.332 1.00 0.00 O ATOM 35 CB SER A 7 14.966 4.625 -1.761 1.00 0.00 C ATOM 36 OG SER A 7 14.751 4.329 -3.133 1.00 0.00 O ATOM 0 H SER A 7 13.161 4.908 0.930 1.00 0.00 H new ATOM 0 HA SER A 7 12.896 4.568 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.064 5.703 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.905 4.178 -1.434 1.00 0.00 H new ATOM 0 HG SER A 7 15.499 4.675 -3.663 1.00 0.00 H new ATOM 42 N GLN A 8 14.728 1.841 -0.758 1.00 0.00 N ATOM 43 CA GLN A 8 14.697 0.391 -0.920 1.00 0.00 C ATOM 44 C GLN A 8 15.621 -0.304 0.072 1.00 0.00 C ATOM 45 O GLN A 8 16.751 0.125 0.301 1.00 0.00 O ATOM 46 CB GLN A 8 15.089 -0.024 -2.346 1.00 0.00 C ATOM 47 CG GLN A 8 14.109 0.431 -3.415 1.00 0.00 C ATOM 48 CD GLN A 8 14.391 -0.173 -4.777 1.00 0.00 C ATOM 49 OE1 GLN A 8 15.534 -0.491 -5.114 1.00 0.00 O ATOM 50 NE2 GLN A 8 13.347 -0.326 -5.575 1.00 0.00 N ATOM 0 H GLN A 8 15.621 2.212 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 8 13.670 0.080 -0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.074 0.383 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.176 -1.110 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.097 0.165 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.143 1.518 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.418 -0.050 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.471 -0.720 -6.508 1.00 0.00 H new ATOM 59 N LEU A 9 15.113 -1.376 0.651 1.00 0.00 N ATOM 60 CA LEU A 9 15.866 -2.232 1.543 1.00 0.00 C ATOM 61 C LEU A 9 16.000 -3.604 0.901 1.00 0.00 C ATOM 62 O LEU A 9 15.033 -4.121 0.343 1.00 0.00 O ATOM 63 CB LEU A 9 15.142 -2.362 2.889 1.00 0.00 C ATOM 64 CG LEU A 9 15.865 -3.188 3.957 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.188 -2.545 4.334 1.00 0.00 C ATOM 66 CD2 LEU A 9 14.985 -3.359 5.188 1.00 0.00 C ATOM 0 H LEU A 9 14.149 -1.680 0.511 1.00 0.00 H new ATOM 0 HA LEU A 9 16.852 -1.801 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.969 -1.361 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.163 -2.808 2.712 1.00 0.00 H new ATOM 0 HG LEU A 9 16.072 -4.174 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.683 -3.150 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.825 -2.478 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.007 -1.545 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.516 -3.948 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.744 -2.380 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.064 -3.871 4.909 1.00 0.00 H new ATOM 78 N GLY A 10 17.187 -4.183 0.964 1.00 0.00 N ATOM 79 CA GLY A 10 17.386 -5.510 0.416 1.00 0.00 C ATOM 80 C GLY A 10 18.560 -6.233 1.048 1.00 0.00 C ATOM 81 O GLY A 10 19.536 -6.536 0.367 1.00 0.00 O ATOM 0 H GLY A 10 18.016 -3.761 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.480 -6.099 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.547 -5.434 -0.659 1.00 0.00 H new ATOM 85 N PRO A 11 18.502 -6.526 2.359 1.00 0.00 N ATOM 86 CA PRO A 11 19.582 -7.218 3.051 1.00 0.00 C ATOM 87 C PRO A 11 19.453 -8.734 2.946 1.00 0.00 C ATOM 88 O PRO A 11 20.421 -9.468 3.133 1.00 0.00 O ATOM 89 CB PRO A 11 19.408 -6.755 4.494 1.00 0.00 C ATOM 90 CG PRO A 11 17.941 -6.508 4.650 1.00 0.00 C ATOM 91 CD PRO A 11 17.390 -6.205 3.274 1.00 0.00 C ATOM 0 HA PRO A 11 20.562 -6.993 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.757 -7.512 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.983 -5.850 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.447 -7.380 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.761 -5.674 5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.509 -6.808 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.091 -5.161 3.186 1.00 0.00 H new ATOM 99 N ILE A 12 18.248 -9.192 2.638 1.00 0.00 N ATOM 100 CA ILE A 12 17.967 -10.615 2.541 1.00 0.00 C ATOM 101 C ILE A 12 17.321 -10.906 1.189 1.00 0.00 C ATOM 102 O ILE A 12 16.480 -10.136 0.730 1.00 0.00 O ATOM 103 CB ILE A 12 17.027 -11.089 3.677 1.00 0.00 C ATOM 104 CG1 ILE A 12 17.047 -10.102 4.852 1.00 0.00 C ATOM 105 CG2 ILE A 12 17.448 -12.472 4.155 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.063 -10.437 5.955 1.00 0.00 C ATOM 0 H ILE A 12 17.444 -8.593 2.450 1.00 0.00 H new ATOM 0 HA ILE A 12 18.908 -11.157 2.637 1.00 0.00 H new ATOM 0 HB ILE A 12 16.011 -11.135 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 12 18.052 -10.074 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.830 -9.102 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 12 16.783 -12.799 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.392 -13.176 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.471 -12.432 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.138 -9.693 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.050 -10.436 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.292 -11.423 6.360 1.00 0.00 H new ATOM 118 N HIS A 13 17.720 -12.002 0.550 1.00 0.00 N ATOM 119 CA HIS A 13 17.277 -12.297 -0.815 1.00 0.00 C ATOM 120 C HIS A 13 15.990 -13.168 -0.931 1.00 0.00 C ATOM 121 O HIS A 13 15.423 -13.220 -2.024 1.00 0.00 O ATOM 122 CB HIS A 13 18.418 -12.942 -1.610 1.00 0.00 C ATOM 123 CG HIS A 13 18.155 -13.016 -3.089 1.00 0.00 C ATOM 124 ND1 HIS A 13 18.216 -14.186 -3.811 1.00 0.00 N ATOM 125 CD2 HIS A 13 17.810 -12.051 -3.975 1.00 0.00 C ATOM 126 CE1 HIS A 13 17.925 -13.939 -5.076 1.00 0.00 C ATOM 127 NE2 HIS A 13 17.672 -12.651 -5.201 1.00 0.00 N ATOM 0 H HIS A 13 18.347 -12.700 0.951 1.00 0.00 H new ATOM 0 HA HIS A 13 17.003 -11.330 -1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.334 -12.375 -1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.591 -13.949 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.670 -11.003 -3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.899 -14.668 -5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 13 17.416 -12.178 -6.068 1.00 0.00 H new ATOM 136 N PRO A 14 15.499 -13.882 0.125 1.00 0.00 N ATOM 137 CA PRO A 14 14.258 -14.679 0.028 1.00 0.00 C ATOM 138 C PRO A 14 13.042 -13.848 -0.420 1.00 0.00 C ATOM 139 O PRO A 14 13.172 -12.649 -0.656 1.00 0.00 O ATOM 140 CB PRO A 14 14.061 -15.209 1.459 1.00 0.00 C ATOM 141 CG PRO A 14 14.874 -14.309 2.299 1.00 0.00 C ATOM 142 CD PRO A 14 16.078 -14.034 1.461 1.00 0.00 C ATOM 0 HA PRO A 14 14.342 -15.463 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.011 -15.184 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.392 -16.243 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.336 -13.392 2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.143 -14.779 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.601 -13.133 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.798 -14.852 1.502 1.00 0.00 H new ATOM 150 N PRO A 15 11.850 -14.477 -0.565 1.00 0.00 N ATOM 151 CA PRO A 15 10.611 -13.786 -0.969 1.00 0.00 C ATOM 152 C PRO A 15 10.425 -12.401 -0.329 1.00 0.00 C ATOM 153 O PRO A 15 10.907 -12.136 0.777 1.00 0.00 O ATOM 154 CB PRO A 15 9.528 -14.747 -0.488 1.00 0.00 C ATOM 155 CG PRO A 15 10.139 -16.095 -0.638 1.00 0.00 C ATOM 156 CD PRO A 15 11.614 -15.925 -0.375 1.00 0.00 C ATOM 0 HA PRO A 15 10.601 -13.576 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.252 -14.549 0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.620 -14.653 -1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.698 -16.802 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.966 -16.491 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.878 -16.243 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.213 -16.520 -1.064 1.00 0.00 H new ATOM 164 N PRO A 16 9.686 -11.507 -1.019 1.00 0.00 N ATOM 165 CA PRO A 16 9.489 -10.105 -0.608 1.00 0.00 C ATOM 166 C PRO A 16 8.593 -9.956 0.621 1.00 0.00 C ATOM 167 O PRO A 16 7.835 -8.995 0.733 1.00 0.00 O ATOM 168 CB PRO A 16 8.812 -9.480 -1.830 1.00 0.00 C ATOM 169 CG PRO A 16 8.079 -10.610 -2.447 1.00 0.00 C ATOM 170 CD PRO A 16 8.978 -11.801 -2.277 1.00 0.00 C ATOM 0 HA PRO A 16 10.430 -9.637 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.136 -8.674 -1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.543 -9.054 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.118 -10.769 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.874 -10.418 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.410 -12.729 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.669 -11.907 -3.113 1.00 0.00 H new ATOM 178 N ARG A 17 8.695 -10.910 1.532 1.00 0.00 N ATOM 179 CA ARG A 17 7.966 -10.870 2.790 1.00 0.00 C ATOM 180 C ARG A 17 8.752 -10.047 3.795 1.00 0.00 C ATOM 181 O ARG A 17 8.213 -9.558 4.786 1.00 0.00 O ATOM 182 CB ARG A 17 7.764 -12.287 3.319 1.00 0.00 C ATOM 183 CG ARG A 17 7.134 -13.222 2.306 1.00 0.00 C ATOM 184 CD ARG A 17 7.175 -14.659 2.788 1.00 0.00 C ATOM 185 NE ARG A 17 6.637 -15.586 1.795 1.00 0.00 N ATOM 186 CZ ARG A 17 6.491 -16.893 2.002 1.00 0.00 C ATOM 187 NH1 ARG A 17 6.749 -17.407 3.199 1.00 0.00 N ATOM 188 NH2 ARG A 17 6.055 -17.677 1.021 1.00 0.00 N ATOM 0 H ARG A 17 9.285 -11.734 1.421 1.00 0.00 H new ATOM 0 HA ARG A 17 6.989 -10.414 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.727 -12.693 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.135 -12.249 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.101 -12.925 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.659 -13.139 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.204 -14.934 3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.605 -14.747 3.713 1.00 0.00 H new ATOM 0 HE ARG A 17 6.357 -15.209 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.059 -16.801 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.638 -18.408 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.832 -17.277 0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.943 -18.678 1.180 1.00 0.00 H new ATOM 202 N THR A 18 10.040 -9.908 3.514 1.00 0.00 N ATOM 203 CA THR A 18 10.943 -9.130 4.346 1.00 0.00 C ATOM 204 C THR A 18 12.231 -8.846 3.574 1.00 0.00 C ATOM 205 O THR A 18 13.286 -8.586 4.153 1.00 0.00 O ATOM 206 CB THR A 18 11.252 -9.882 5.657 1.00 0.00 C ATOM 207 OG1 THR A 18 12.203 -9.157 6.452 1.00 0.00 O ATOM 208 CG2 THR A 18 11.774 -11.284 5.358 1.00 0.00 C ATOM 0 H THR A 18 10.487 -10.332 2.702 1.00 0.00 H new ATOM 0 HA THR A 18 10.466 -8.184 4.603 1.00 0.00 H new ATOM 0 HB THR A 18 10.325 -9.967 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.938 -8.849 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.987 -11.800 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.022 -11.841 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.687 -11.214 4.767 1.00 0.00 H new ATOM 216 N SER A 19 12.127 -8.893 2.253 1.00 0.00 N ATOM 217 CA SER A 19 13.283 -8.719 1.393 1.00 0.00 C ATOM 218 C SER A 19 13.322 -7.312 0.822 1.00 0.00 C ATOM 219 O SER A 19 13.885 -6.406 1.431 1.00 0.00 O ATOM 220 CB SER A 19 13.268 -9.765 0.271 1.00 0.00 C ATOM 221 OG SER A 19 14.326 -9.566 -0.651 1.00 0.00 O ATOM 0 H SER A 19 11.251 -9.051 1.755 1.00 0.00 H new ATOM 0 HA SER A 19 14.185 -8.863 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.346 -10.762 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.314 -9.719 -0.255 1.00 0.00 H new ATOM 0 HG SER A 19 15.181 -9.569 -0.173 1.00 0.00 H new ATOM 227 N MET A 20 12.700 -7.131 -0.331 1.00 0.00 N ATOM 228 CA MET A 20 12.677 -5.839 -0.989 1.00 0.00 C ATOM 229 C MET A 20 11.637 -4.921 -0.351 1.00 0.00 C ATOM 230 O MET A 20 10.526 -4.767 -0.859 1.00 0.00 O ATOM 231 CB MET A 20 12.407 -6.002 -2.492 1.00 0.00 C ATOM 232 CG MET A 20 11.235 -6.917 -2.810 1.00 0.00 C ATOM 233 SD MET A 20 10.754 -6.858 -4.547 1.00 0.00 S ATOM 234 CE MET A 20 10.324 -5.129 -4.718 1.00 0.00 C ATOM 0 H MET A 20 12.202 -7.868 -0.831 1.00 0.00 H new ATOM 0 HA MET A 20 13.657 -5.378 -0.864 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.217 -5.020 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.303 -6.395 -2.972 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.497 -7.941 -2.545 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.382 -6.636 -2.192 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.590 -5.014 -5.515 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.903 -4.764 -3.781 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.217 -4.554 -4.962 1.00 0.00 H new ATOM 244 N THR A 21 12.000 -4.331 0.774 1.00 0.00 N ATOM 245 CA THR A 21 11.143 -3.360 1.423 1.00 0.00 C ATOM 246 C THR A 21 11.379 -1.992 0.807 1.00 0.00 C ATOM 247 O THR A 21 12.457 -1.433 0.937 1.00 0.00 O ATOM 248 CB THR A 21 11.426 -3.291 2.942 1.00 0.00 C ATOM 249 OG1 THR A 21 11.143 -4.557 3.555 1.00 0.00 O ATOM 250 CG2 THR A 21 10.597 -2.201 3.611 1.00 0.00 C ATOM 0 H THR A 21 12.882 -4.508 1.255 1.00 0.00 H new ATOM 0 HA THR A 21 10.107 -3.666 1.280 1.00 0.00 H new ATOM 0 HB THR A 21 12.481 -3.049 3.074 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.327 -4.503 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.819 -2.178 4.678 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.841 -1.235 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.537 -2.409 3.465 1.00 0.00 H new ATOM 258 N GLU A 22 10.379 -1.445 0.151 1.00 0.00 N ATOM 259 CA GLU A 22 10.529 -0.136 -0.453 1.00 0.00 C ATOM 260 C GLU A 22 10.014 0.910 0.522 1.00 0.00 C ATOM 261 O GLU A 22 8.847 0.881 0.906 1.00 0.00 O ATOM 262 CB GLU A 22 9.777 -0.086 -1.796 1.00 0.00 C ATOM 263 CG GLU A 22 9.980 1.199 -2.595 1.00 0.00 C ATOM 264 CD GLU A 22 9.840 0.979 -4.092 1.00 0.00 C ATOM 265 OE1 GLU A 22 8.712 1.068 -4.613 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.869 0.713 -4.759 1.00 0.00 O ATOM 0 H GLU A 22 9.464 -1.878 0.022 1.00 0.00 H new ATOM 0 HA GLU A 22 11.579 0.070 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.095 -0.931 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.712 -0.214 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.253 1.944 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.969 1.604 -2.381 1.00 0.00 H new ATOM 273 N GLU A 23 10.894 1.804 0.957 1.00 0.00 N ATOM 274 CA GLU A 23 10.491 2.832 1.899 1.00 0.00 C ATOM 275 C GLU A 23 10.079 4.073 1.138 1.00 0.00 C ATOM 276 O GLU A 23 10.913 4.801 0.589 1.00 0.00 O ATOM 277 CB GLU A 23 11.594 3.154 2.916 1.00 0.00 C ATOM 278 CG GLU A 23 11.165 4.187 3.957 1.00 0.00 C ATOM 279 CD GLU A 23 12.230 4.480 5.001 1.00 0.00 C ATOM 280 OE1 GLU A 23 12.258 3.785 6.039 1.00 0.00 O ATOM 281 OE2 GLU A 23 13.022 5.427 4.802 1.00 0.00 O ATOM 0 H GLU A 23 11.874 1.836 0.676 1.00 0.00 H new ATOM 0 HA GLU A 23 9.643 2.455 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.891 2.236 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.472 3.524 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.902 5.115 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.265 3.832 4.459 1.00 0.00 H new ATOM 288 N TYR A 24 8.782 4.288 1.112 1.00 0.00 N ATOM 289 CA TYR A 24 8.184 5.328 0.313 1.00 0.00 C ATOM 290 C TYR A 24 8.042 6.619 1.107 1.00 0.00 C ATOM 291 O TYR A 24 7.396 6.646 2.155 1.00 0.00 O ATOM 292 CB TYR A 24 6.817 4.850 -0.174 1.00 0.00 C ATOM 293 CG TYR A 24 6.720 4.736 -1.673 1.00 0.00 C ATOM 294 CD1 TYR A 24 7.251 3.641 -2.343 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.110 5.726 -2.419 1.00 0.00 C ATOM 296 CE1 TYR A 24 7.168 3.541 -3.716 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.025 5.634 -3.791 1.00 0.00 C ATOM 298 CZ TYR A 24 6.557 4.539 -4.436 1.00 0.00 C ATOM 299 OH TYR A 24 6.484 4.444 -5.806 1.00 0.00 O ATOM 0 H TYR A 24 8.110 3.740 1.650 1.00 0.00 H new ATOM 0 HA TYR A 24 8.830 5.538 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.601 3.879 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.052 5.541 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.736 2.857 -1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.693 6.587 -1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.582 2.682 -4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.543 6.417 -4.358 1.00 0.00 H new ATOM 0 HH TYR A 24 6.449 3.500 -6.067 1.00 0.00 H new ATOM 309 N ARG A 25 8.668 7.678 0.604 1.00 0.00 N ATOM 310 CA ARG A 25 8.543 8.995 1.210 1.00 0.00 C ATOM 311 C ARG A 25 7.314 9.694 0.659 1.00 0.00 C ATOM 312 O ARG A 25 7.322 10.209 -0.464 1.00 0.00 O ATOM 313 CB ARG A 25 9.782 9.851 0.950 1.00 0.00 C ATOM 314 CG ARG A 25 11.063 9.253 1.505 1.00 0.00 C ATOM 315 CD ARG A 25 12.242 10.198 1.338 1.00 0.00 C ATOM 316 NE ARG A 25 12.392 10.670 -0.039 1.00 0.00 N ATOM 317 CZ ARG A 25 13.372 11.472 -0.447 1.00 0.00 C ATOM 318 NH1 ARG A 25 14.259 11.948 0.417 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.447 11.823 -1.718 1.00 0.00 N ATOM 0 H ARG A 25 9.266 7.648 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 25 8.445 8.864 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.894 9.995 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.631 10.837 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.929 9.022 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.276 8.312 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.114 11.054 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.156 9.691 1.646 1.00 0.00 H new ATOM 0 HE ARG A 25 11.704 10.366 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.193 11.700 1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.007 12.562 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.755 11.479 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.197 12.438 -2.034 1.00 0.00 H new ATOM 333 N VAL A 26 6.257 9.688 1.438 1.00 0.00 N ATOM 334 CA VAL A 26 5.002 10.268 1.013 1.00 0.00 C ATOM 335 C VAL A 26 4.630 11.449 1.902 1.00 0.00 C ATOM 336 O VAL A 26 4.658 11.362 3.127 1.00 0.00 O ATOM 337 CB VAL A 26 3.875 9.206 0.985 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.945 8.309 2.204 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.503 9.851 0.879 1.00 0.00 C ATOM 0 H VAL A 26 6.241 9.286 2.375 1.00 0.00 H new ATOM 0 HA VAL A 26 5.125 10.638 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 26 4.027 8.594 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.143 7.572 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.907 7.797 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.835 8.911 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.737 9.076 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.340 10.503 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.446 10.437 -0.038 1.00 0.00 H new ATOM 349 N PRO A 27 4.311 12.582 1.263 1.00 0.00 N ATOM 350 CA PRO A 27 3.948 13.824 1.950 1.00 0.00 C ATOM 351 C PRO A 27 2.755 13.642 2.887 1.00 0.00 C ATOM 352 O PRO A 27 1.882 12.812 2.634 1.00 0.00 O ATOM 353 CB PRO A 27 3.593 14.781 0.807 1.00 0.00 C ATOM 354 CG PRO A 27 4.248 14.207 -0.405 1.00 0.00 C ATOM 355 CD PRO A 27 4.287 12.727 -0.196 1.00 0.00 C ATOM 0 HA PRO A 27 4.756 14.186 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.513 14.852 0.674 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.956 15.788 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.688 14.458 -1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.253 14.609 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.416 12.238 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.168 12.281 -0.657 1.00 0.00 H new ATOM 363 N ASP A 28 2.717 14.431 3.950 1.00 0.00 N ATOM 364 CA ASP A 28 1.685 14.306 4.984 1.00 0.00 C ATOM 365 C ASP A 28 0.272 14.448 4.396 1.00 0.00 C ATOM 366 O ASP A 28 -0.627 13.657 4.703 1.00 0.00 O ATOM 367 CB ASP A 28 1.929 15.351 6.079 1.00 0.00 C ATOM 368 CG ASP A 28 0.911 15.290 7.206 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.112 14.504 8.160 1.00 0.00 O ATOM 370 OD2 ASP A 28 -0.083 16.046 7.157 1.00 0.00 O ATOM 0 H ASP A 28 3.394 15.174 4.125 1.00 0.00 H new ATOM 0 HA ASP A 28 1.750 13.308 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.927 15.208 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.908 16.346 5.633 1.00 0.00 H new ATOM 375 N GLY A 29 0.076 15.431 3.530 1.00 0.00 N ATOM 376 CA GLY A 29 -1.216 15.594 2.884 1.00 0.00 C ATOM 377 C GLY A 29 -1.462 14.526 1.834 1.00 0.00 C ATOM 378 O GLY A 29 -2.600 14.105 1.594 1.00 0.00 O ATOM 0 H GLY A 29 0.782 16.117 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.005 15.554 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.268 16.579 2.420 1.00 0.00 H new ATOM 382 N MET A 30 -0.383 14.053 1.237 1.00 0.00 N ATOM 383 CA MET A 30 -0.471 13.100 0.149 1.00 0.00 C ATOM 384 C MET A 30 -0.740 11.695 0.679 1.00 0.00 C ATOM 385 O MET A 30 -1.362 10.881 0.002 1.00 0.00 O ATOM 386 CB MET A 30 0.812 13.141 -0.681 1.00 0.00 C ATOM 387 CG MET A 30 0.723 12.382 -1.992 1.00 0.00 C ATOM 388 SD MET A 30 -0.729 12.836 -2.967 1.00 0.00 S ATOM 389 CE MET A 30 -0.539 14.613 -3.097 1.00 0.00 C ATOM 0 H MET A 30 0.569 14.316 1.490 1.00 0.00 H new ATOM 0 HA MET A 30 -1.308 13.374 -0.493 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.064 14.181 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.629 12.729 -0.089 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.622 12.572 -2.578 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.697 11.312 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.295 15.105 -2.486 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.453 14.899 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.659 14.917 -4.137 1.00 0.00 H new ATOM 399 N VAL A 31 -0.291 11.410 1.897 1.00 0.00 N ATOM 400 CA VAL A 31 -0.653 10.155 2.541 1.00 0.00 C ATOM 401 C VAL A 31 -2.103 10.227 3.005 1.00 0.00 C ATOM 402 O VAL A 31 -2.782 9.206 3.132 1.00 0.00 O ATOM 403 CB VAL A 31 0.274 9.781 3.722 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.242 10.838 4.807 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.107 8.418 4.291 1.00 0.00 C ATOM 0 H VAL A 31 0.313 12.019 2.449 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.530 9.365 1.800 1.00 0.00 H new ATOM 0 HB VAL A 31 1.294 9.727 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.904 10.544 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.574 11.791 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.775 10.940 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.556 8.172 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.137 8.447 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.012 7.660 3.514 1.00 0.00 H new ATOM 415 N GLY A 32 -2.581 11.448 3.239 1.00 0.00 N ATOM 416 CA GLY A 32 -4.004 11.652 3.431 1.00 0.00 C ATOM 417 C GLY A 32 -4.781 11.188 2.218 1.00 0.00 C ATOM 418 O GLY A 32 -5.911 10.714 2.331 1.00 0.00 O ATOM 0 H GLY A 32 -2.012 12.292 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.339 11.107 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.203 12.708 3.614 1.00 0.00 H new ATOM 422 N LEU A 33 -4.167 11.319 1.047 1.00 0.00 N ATOM 423 CA LEU A 33 -4.743 10.769 -0.176 1.00 0.00 C ATOM 424 C LEU A 33 -4.442 9.275 -0.335 1.00 0.00 C ATOM 425 O LEU A 33 -5.146 8.579 -1.063 1.00 0.00 O ATOM 426 CB LEU A 33 -4.257 11.530 -1.408 1.00 0.00 C ATOM 427 CG LEU A 33 -4.763 12.966 -1.532 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.294 13.581 -2.839 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.279 13.004 -1.446 1.00 0.00 C ATOM 0 H LEU A 33 -3.276 11.798 0.918 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.823 10.888 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.167 11.546 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.559 10.978 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.354 13.549 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.663 14.604 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.204 13.585 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.678 12.996 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.623 14.034 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.704 12.408 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.599 12.597 -0.487 1.00 0.00 H new ATOM 441 N ILE A 34 -3.391 8.790 0.328 1.00 0.00 N ATOM 442 CA ILE A 34 -3.086 7.359 0.348 1.00 0.00 C ATOM 443 C ILE A 34 -4.249 6.623 0.989 1.00 0.00 C ATOM 444 O ILE A 34 -4.714 5.594 0.507 1.00 0.00 O ATOM 445 CB ILE A 34 -1.789 7.062 1.146 1.00 0.00 C ATOM 446 CG1 ILE A 34 -0.548 7.357 0.317 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.757 5.626 1.648 1.00 0.00 C ATOM 448 CD1 ILE A 34 -0.458 6.507 -0.918 1.00 0.00 C ATOM 0 H ILE A 34 -2.737 9.367 0.858 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.932 7.024 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.790 7.725 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.550 8.408 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.339 7.196 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.834 5.455 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.611 5.450 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.803 4.943 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.447 6.761 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.426 5.455 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.329 6.687 -1.548 1.00 0.00 H new ATOM 460 N ILE A 35 -4.710 7.184 2.089 1.00 0.00 N ATOM 461 CA ILE A 35 -5.878 6.677 2.770 1.00 0.00 C ATOM 462 C ILE A 35 -7.154 7.194 2.114 1.00 0.00 C ATOM 463 O ILE A 35 -8.249 6.699 2.390 1.00 0.00 O ATOM 464 CB ILE A 35 -5.855 7.040 4.261 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.538 8.524 4.459 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.848 6.162 4.983 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.311 8.920 5.903 1.00 0.00 C ATOM 0 H ILE A 35 -4.286 7.999 2.532 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.863 5.590 2.688 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.843 6.861 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.649 8.775 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.359 9.117 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.833 6.421 6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.130 5.115 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.857 6.319 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.092 9.986 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.207 8.703 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.470 8.356 6.307 1.00 0.00 H new ATOM 479 N GLY A 36 -6.985 8.216 1.272 1.00 0.00 N ATOM 480 CA GLY A 36 -8.046 8.710 0.402 1.00 0.00 C ATOM 481 C GLY A 36 -9.276 9.183 1.140 1.00 0.00 C ATOM 482 O GLY A 36 -9.396 10.355 1.486 1.00 0.00 O ATOM 0 H GLY A 36 -6.105 8.723 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.656 9.532 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.332 7.918 -0.290 1.00 0.00 H new ATOM 486 N ARG A 37 -10.187 8.252 1.381 1.00 0.00 N ATOM 487 CA ARG A 37 -11.446 8.538 2.050 1.00 0.00 C ATOM 488 C ARG A 37 -11.232 8.764 3.547 1.00 0.00 C ATOM 489 O ARG A 37 -12.182 8.999 4.294 1.00 0.00 O ATOM 490 CB ARG A 37 -12.415 7.385 1.806 1.00 0.00 C ATOM 491 CG ARG A 37 -11.914 6.043 2.318 1.00 0.00 C ATOM 492 CD ARG A 37 -12.533 4.889 1.538 1.00 0.00 C ATOM 493 NE ARG A 37 -13.993 4.954 1.521 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.792 3.888 1.485 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.292 2.662 1.510 1.00 0.00 N ATOM 496 NH2 ARG A 37 -16.106 4.048 1.434 1.00 0.00 N ATOM 0 H ARG A 37 -10.073 7.273 1.117 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.869 9.455 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.366 7.614 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.609 7.306 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.828 6.001 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.156 5.941 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.159 4.902 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.218 3.944 1.980 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.429 5.876 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.283 2.524 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.916 1.856 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.505 4.986 1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.718 3.233 1.406 1.00 0.00 H new ATOM 510 N GLY A 38 -9.978 8.684 3.974 1.00 0.00 N ATOM 511 CA GLY A 38 -9.640 8.992 5.347 1.00 0.00 C ATOM 512 C GLY A 38 -8.961 7.845 6.064 1.00 0.00 C ATOM 513 O GLY A 38 -8.522 7.993 7.203 1.00 0.00 O ATOM 0 H GLY A 38 -9.188 8.410 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.985 9.863 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.548 9.263 5.886 1.00 0.00 H new ATOM 517 N GLY A 39 -8.866 6.698 5.403 1.00 0.00 N ATOM 518 CA GLY A 39 -8.197 5.560 6.003 1.00 0.00 C ATOM 519 C GLY A 39 -8.580 4.248 5.354 1.00 0.00 C ATOM 520 O GLY A 39 -7.727 3.395 5.113 1.00 0.00 O ATOM 0 H GLY A 39 -9.238 6.536 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.118 5.697 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.440 5.520 7.065 1.00 0.00 H new ATOM 524 N GLU A 40 -9.865 4.099 5.055 1.00 0.00 N ATOM 525 CA GLU A 40 -10.402 2.855 4.509 1.00 0.00 C ATOM 526 C GLU A 40 -9.714 2.486 3.191 1.00 0.00 C ATOM 527 O GLU A 40 -9.466 1.314 2.936 1.00 0.00 O ATOM 528 CB GLU A 40 -11.915 3.002 4.289 1.00 0.00 C ATOM 529 CG GLU A 40 -12.720 1.707 4.407 1.00 0.00 C ATOM 530 CD GLU A 40 -12.293 0.619 3.444 1.00 0.00 C ATOM 531 OE1 GLU A 40 -12.425 0.819 2.220 1.00 0.00 O ATOM 532 OE2 GLU A 40 -11.841 -0.448 3.912 1.00 0.00 O ATOM 0 H GLU A 40 -10.562 4.832 5.183 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.211 2.054 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.303 3.719 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.082 3.426 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.632 1.330 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.774 1.931 4.240 1.00 0.00 H new ATOM 539 N GLN A 41 -9.367 3.488 2.382 1.00 0.00 N ATOM 540 CA GLN A 41 -8.868 3.236 1.027 1.00 0.00 C ATOM 541 C GLN A 41 -7.615 2.377 1.063 1.00 0.00 C ATOM 542 O GLN A 41 -7.510 1.394 0.329 1.00 0.00 O ATOM 543 CB GLN A 41 -8.569 4.548 0.298 1.00 0.00 C ATOM 544 CG GLN A 41 -8.630 4.443 -1.220 1.00 0.00 C ATOM 545 CD GLN A 41 -7.272 4.232 -1.863 1.00 0.00 C ATOM 546 OE1 GLN A 41 -6.368 3.647 -1.277 1.00 0.00 O ATOM 547 NE2 GLN A 41 -7.126 4.702 -3.089 1.00 0.00 N ATOM 0 H GLN A 41 -9.421 4.474 2.637 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.649 2.703 0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.280 5.305 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.577 4.895 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.286 3.617 -1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.077 5.352 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.900 5.184 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.239 4.583 -3.579 1.00 0.00 H new ATOM 556 N ILE A 42 -6.671 2.727 1.929 1.00 0.00 N ATOM 557 CA ILE A 42 -5.442 1.965 2.000 1.00 0.00 C ATOM 558 C ILE A 42 -5.715 0.581 2.553 1.00 0.00 C ATOM 559 O ILE A 42 -5.127 -0.375 2.097 1.00 0.00 O ATOM 560 CB ILE A 42 -4.331 2.662 2.819 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.984 1.982 2.579 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.651 2.686 4.306 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.549 2.002 1.129 1.00 0.00 C ATOM 0 H ILE A 42 -6.734 3.514 2.575 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.067 1.888 0.979 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.276 3.696 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.224 2.475 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.042 0.948 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.845 3.185 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.584 3.226 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.754 1.665 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.585 1.502 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.290 1.484 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.459 3.034 0.790 1.00 0.00 H new ATOM 575 N ASN A 43 -6.637 0.462 3.503 1.00 0.00 N ATOM 576 CA ASN A 43 -6.985 -0.852 4.039 1.00 0.00 C ATOM 577 C ASN A 43 -7.562 -1.702 2.923 1.00 0.00 C ATOM 578 O ASN A 43 -7.309 -2.896 2.837 1.00 0.00 O ATOM 579 CB ASN A 43 -8.010 -0.765 5.175 1.00 0.00 C ATOM 580 CG ASN A 43 -7.628 0.212 6.269 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.450 0.483 6.504 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.630 0.735 6.959 1.00 0.00 N ATOM 0 H ASN A 43 -7.149 1.243 3.912 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.076 -1.296 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.975 -0.473 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.138 -1.755 5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.440 1.389 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.592 0.484 6.731 1.00 0.00 H new ATOM 589 N LYS A 44 -8.334 -1.047 2.071 1.00 0.00 N ATOM 590 CA LYS A 44 -8.955 -1.670 0.916 1.00 0.00 C ATOM 591 C LYS A 44 -7.891 -2.210 -0.037 1.00 0.00 C ATOM 592 O LYS A 44 -7.896 -3.390 -0.376 1.00 0.00 O ATOM 593 CB LYS A 44 -9.823 -0.624 0.217 1.00 0.00 C ATOM 594 CG LYS A 44 -10.816 -1.177 -0.783 1.00 0.00 C ATOM 595 CD LYS A 44 -11.617 -0.048 -1.410 1.00 0.00 C ATOM 596 CE LYS A 44 -12.785 -0.566 -2.224 1.00 0.00 C ATOM 597 NZ LYS A 44 -12.346 -1.460 -3.329 1.00 0.00 N ATOM 0 H LYS A 44 -8.549 -0.054 2.165 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.571 -2.511 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.369 -0.062 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.171 0.083 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.290 -1.733 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.488 -1.878 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.986 0.614 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.965 0.548 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.469 -1.107 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.339 0.276 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.167 -1.723 -3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.648 -0.965 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.915 -2.319 -2.931 1.00 0.00 H new ATOM 611 N ILE A 45 -6.973 -1.341 -0.442 1.00 0.00 N ATOM 612 CA ILE A 45 -5.893 -1.714 -1.354 1.00 0.00 C ATOM 613 C ILE A 45 -4.955 -2.741 -0.724 1.00 0.00 C ATOM 614 O ILE A 45 -4.575 -3.730 -1.353 1.00 0.00 O ATOM 615 CB ILE A 45 -5.081 -0.480 -1.774 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.967 0.476 -2.566 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.858 -0.883 -2.590 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.641 -0.159 -3.765 1.00 0.00 C ATOM 0 H ILE A 45 -6.954 -0.364 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.359 -2.159 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.728 0.027 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.733 0.879 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.363 1.318 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.300 0.009 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.220 -1.534 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.178 -1.413 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.253 0.585 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.883 -0.537 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.273 -0.983 -3.433 1.00 0.00 H new ATOM 630 N GLN A 46 -4.584 -2.486 0.520 1.00 0.00 N ATOM 631 CA GLN A 46 -3.705 -3.366 1.276 1.00 0.00 C ATOM 632 C GLN A 46 -4.311 -4.766 1.378 1.00 0.00 C ATOM 633 O GLN A 46 -3.628 -5.768 1.179 1.00 0.00 O ATOM 634 CB GLN A 46 -3.491 -2.807 2.690 1.00 0.00 C ATOM 635 CG GLN A 46 -2.637 -1.557 2.771 1.00 0.00 C ATOM 636 CD GLN A 46 -2.590 -1.002 4.184 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.533 -1.161 4.962 1.00 0.00 O ATOM 638 NE2 GLN A 46 -1.502 -0.338 4.524 1.00 0.00 N ATOM 0 H GLN A 46 -4.885 -1.660 1.037 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.749 -3.425 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.465 -2.590 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.031 -3.582 3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.625 -1.785 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.034 -0.800 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.742 -0.227 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.421 0.064 5.458 1.00 0.00 H new ATOM 647 N GLN A 47 -5.603 -4.812 1.694 1.00 0.00 N ATOM 648 CA GLN A 47 -6.331 -6.070 1.838 1.00 0.00 C ATOM 649 C GLN A 47 -6.485 -6.744 0.476 1.00 0.00 C ATOM 650 O GLN A 47 -6.309 -7.957 0.347 1.00 0.00 O ATOM 651 CB GLN A 47 -7.704 -5.795 2.469 1.00 0.00 C ATOM 652 CG GLN A 47 -8.412 -7.021 3.018 1.00 0.00 C ATOM 653 CD GLN A 47 -9.555 -7.496 2.140 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.537 -7.328 0.919 1.00 0.00 O ATOM 655 NE2 GLN A 47 -10.561 -8.088 2.760 1.00 0.00 N ATOM 0 H GLN A 47 -6.173 -3.982 1.857 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.773 -6.743 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.579 -5.074 3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.345 -5.328 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.690 -7.829 3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.796 -6.795 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.537 -8.207 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.362 -8.425 2.226 1.00 0.00 H new ATOM 664 N ASP A 48 -6.807 -5.936 -0.529 1.00 0.00 N ATOM 665 CA ASP A 48 -6.942 -6.405 -1.909 1.00 0.00 C ATOM 666 C ASP A 48 -5.660 -7.060 -2.402 1.00 0.00 C ATOM 667 O ASP A 48 -5.686 -8.140 -2.996 1.00 0.00 O ATOM 668 CB ASP A 48 -7.298 -5.226 -2.822 1.00 0.00 C ATOM 669 CG ASP A 48 -7.081 -5.522 -4.295 1.00 0.00 C ATOM 670 OD1 ASP A 48 -7.970 -6.130 -4.926 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.024 -5.129 -4.835 1.00 0.00 O ATOM 0 H ASP A 48 -6.982 -4.938 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.737 -7.151 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.341 -4.954 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.697 -4.362 -2.539 1.00 0.00 H new ATOM 676 N SER A 49 -4.539 -6.410 -2.150 1.00 0.00 N ATOM 677 CA SER A 49 -3.259 -6.898 -2.623 1.00 0.00 C ATOM 678 C SER A 49 -2.737 -8.036 -1.754 1.00 0.00 C ATOM 679 O SER A 49 -2.319 -9.078 -2.260 1.00 0.00 O ATOM 680 CB SER A 49 -2.246 -5.755 -2.664 1.00 0.00 C ATOM 681 OG SER A 49 -2.169 -5.091 -1.415 1.00 0.00 O ATOM 0 H SER A 49 -4.490 -5.541 -1.619 1.00 0.00 H new ATOM 0 HA SER A 49 -3.401 -7.290 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.264 -6.146 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.528 -5.043 -3.440 1.00 0.00 H new ATOM 0 HG SER A 49 -2.909 -4.453 -1.337 1.00 0.00 H new ATOM 687 N GLY A 50 -2.781 -7.838 -0.445 1.00 0.00 N ATOM 688 CA GLY A 50 -2.230 -8.813 0.472 1.00 0.00 C ATOM 689 C GLY A 50 -0.867 -8.387 0.960 1.00 0.00 C ATOM 690 O GLY A 50 -0.172 -9.138 1.641 1.00 0.00 O ATOM 0 H GLY A 50 -3.190 -7.016 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.901 -8.939 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.157 -9.782 -0.022 1.00 0.00 H new ATOM 694 N CYS A 51 -0.477 -7.179 0.583 1.00 0.00 N ATOM 695 CA CYS A 51 0.802 -6.627 0.982 1.00 0.00 C ATOM 696 C CYS A 51 0.701 -5.978 2.352 1.00 0.00 C ATOM 697 O CYS A 51 -0.313 -5.370 2.699 1.00 0.00 O ATOM 698 CB CYS A 51 1.278 -5.616 -0.055 1.00 0.00 C ATOM 699 SG CYS A 51 2.867 -4.834 0.316 1.00 0.00 S ATOM 0 H CYS A 51 -1.036 -6.560 -0.004 1.00 0.00 H new ATOM 0 HA CYS A 51 1.529 -7.437 1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.352 -6.116 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.522 -4.838 -0.156 1.00 0.00 H new ATOM 0 HG CYS A 51 3.317 -5.283 1.450 1.00 0.00 H new ATOM 705 N LYS A 52 1.762 -6.119 3.122 1.00 0.00 N ATOM 706 CA LYS A 52 1.830 -5.581 4.464 1.00 0.00 C ATOM 707 C LYS A 52 2.392 -4.169 4.412 1.00 0.00 C ATOM 708 O LYS A 52 3.568 -3.937 4.692 1.00 0.00 O ATOM 709 CB LYS A 52 2.700 -6.503 5.316 1.00 0.00 C ATOM 710 CG LYS A 52 2.265 -7.953 5.197 1.00 0.00 C ATOM 711 CD LYS A 52 3.383 -8.923 5.520 1.00 0.00 C ATOM 712 CE LYS A 52 3.199 -10.223 4.751 1.00 0.00 C ATOM 713 NZ LYS A 52 1.938 -10.923 5.118 1.00 0.00 N ATOM 0 H LYS A 52 2.606 -6.613 2.831 1.00 0.00 H new ATOM 0 HA LYS A 52 0.838 -5.529 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.741 -6.409 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.647 -6.192 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.426 -8.134 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.908 -8.140 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.344 -8.476 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.398 -9.126 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.197 -10.013 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.047 -10.880 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.905 -11.849 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.903 -11.058 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.123 -10.352 4.816 1.00 0.00 H new ATOM 727 N VAL A 53 1.542 -3.235 4.023 1.00 0.00 N ATOM 728 CA VAL A 53 1.950 -1.854 3.838 1.00 0.00 C ATOM 729 C VAL A 53 1.963 -1.128 5.176 1.00 0.00 C ATOM 730 O VAL A 53 0.917 -0.843 5.755 1.00 0.00 O ATOM 731 CB VAL A 53 1.004 -1.127 2.859 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.516 0.264 2.538 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.825 -1.939 1.587 1.00 0.00 C ATOM 0 H VAL A 53 0.556 -3.411 3.828 1.00 0.00 H new ATOM 0 HA VAL A 53 2.955 -1.850 3.416 1.00 0.00 H new ATOM 0 HB VAL A 53 0.032 -1.024 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.830 0.753 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.583 0.848 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.503 0.192 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.155 -1.410 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.793 -2.078 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.399 -2.912 1.833 1.00 0.00 H new ATOM 743 N GLN A 54 3.151 -0.847 5.672 1.00 0.00 N ATOM 744 CA GLN A 54 3.294 -0.216 6.970 1.00 0.00 C ATOM 745 C GLN A 54 3.294 1.299 6.832 1.00 0.00 C ATOM 746 O GLN A 54 4.262 1.888 6.352 1.00 0.00 O ATOM 747 CB GLN A 54 4.583 -0.695 7.642 1.00 0.00 C ATOM 748 CG GLN A 54 4.377 -1.287 9.032 1.00 0.00 C ATOM 749 CD GLN A 54 3.671 -2.642 9.037 1.00 0.00 C ATOM 750 OE1 GLN A 54 3.918 -3.472 9.910 1.00 0.00 O ATOM 751 NE2 GLN A 54 2.783 -2.874 8.079 1.00 0.00 N ATOM 0 H GLN A 54 4.032 -1.045 5.197 1.00 0.00 H new ATOM 0 HA GLN A 54 2.446 -0.499 7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.055 -1.444 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.276 0.144 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.347 -1.394 9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.797 -0.585 9.631 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.601 -2.164 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.282 -3.762 8.052 1.00 0.00 H new ATOM 760 N ILE A 55 2.196 1.920 7.235 1.00 0.00 N ATOM 761 CA ILE A 55 2.091 3.370 7.218 1.00 0.00 C ATOM 762 C ILE A 55 2.622 3.928 8.532 1.00 0.00 C ATOM 763 O ILE A 55 1.892 4.001 9.518 1.00 0.00 O ATOM 764 CB ILE A 55 0.630 3.853 7.025 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.009 3.226 5.778 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.579 5.372 6.926 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.738 3.506 4.496 1.00 0.00 C ATOM 0 H ILE A 55 1.364 1.441 7.578 1.00 0.00 H new ATOM 0 HA ILE A 55 2.678 3.730 6.373 1.00 0.00 H new ATOM 0 HB ILE A 55 0.060 3.532 7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.074 2.147 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.029 3.597 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.454 5.693 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.978 5.810 7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.176 5.701 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.222 3.029 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.781 4.582 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.751 3.110 4.571 1.00 0.00 H new ATOM 779 N SER A 56 3.893 4.295 8.551 1.00 0.00 N ATOM 780 CA SER A 56 4.511 4.826 9.756 1.00 0.00 C ATOM 781 C SER A 56 4.405 6.353 9.791 1.00 0.00 C ATOM 782 O SER A 56 5.101 7.054 9.051 1.00 0.00 O ATOM 783 CB SER A 56 5.972 4.379 9.828 1.00 0.00 C ATOM 784 OG SER A 56 6.058 2.962 9.804 1.00 0.00 O ATOM 0 H SER A 56 4.517 4.235 7.746 1.00 0.00 H new ATOM 0 HA SER A 56 3.982 4.436 10.626 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.529 4.798 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.432 4.762 10.739 1.00 0.00 H new ATOM 0 HG SER A 56 6.999 2.691 9.849 1.00 0.00 H new ATOM 790 N PRO A 57 3.513 6.882 10.651 1.00 0.00 N ATOM 791 CA PRO A 57 3.250 8.319 10.753 1.00 0.00 C ATOM 792 C PRO A 57 4.392 9.074 11.422 1.00 0.00 C ATOM 793 O PRO A 57 4.677 10.215 11.068 1.00 0.00 O ATOM 794 CB PRO A 57 1.972 8.406 11.602 1.00 0.00 C ATOM 795 CG PRO A 57 1.473 7.002 11.722 1.00 0.00 C ATOM 796 CD PRO A 57 2.680 6.123 11.587 1.00 0.00 C ATOM 0 HA PRO A 57 3.146 8.777 9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.181 8.833 12.583 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.229 9.047 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.980 6.844 12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.740 6.781 10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.180 5.968 12.543 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.424 5.138 11.198 1.00 0.00 H new ATOM 804 N ASP A 58 5.041 8.429 12.384 1.00 0.00 N ATOM 805 CA ASP A 58 6.178 9.023 13.080 1.00 0.00 C ATOM 806 C ASP A 58 7.446 8.894 12.247 1.00 0.00 C ATOM 807 O ASP A 58 8.455 9.527 12.551 1.00 0.00 O ATOM 808 CB ASP A 58 6.379 8.366 14.449 1.00 0.00 C ATOM 809 CG ASP A 58 6.502 6.860 14.359 1.00 0.00 C ATOM 810 OD1 ASP A 58 5.451 6.179 14.338 1.00 0.00 O ATOM 811 OD2 ASP A 58 7.635 6.345 14.310 1.00 0.00 O ATOM 0 H ASP A 58 4.799 7.490 12.702 1.00 0.00 H new ATOM 0 HA ASP A 58 5.965 10.082 13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.276 8.773 14.915 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.540 8.620 15.097 1.00 0.00 H new ATOM 816 N SER A 59 7.359 8.070 11.198 1.00 0.00 N ATOM 817 CA SER A 59 8.431 7.858 10.215 1.00 0.00 C ATOM 818 C SER A 59 9.811 7.608 10.839 1.00 0.00 C ATOM 819 O SER A 59 10.214 6.458 11.025 1.00 0.00 O ATOM 820 CB SER A 59 8.480 9.014 9.206 1.00 0.00 C ATOM 821 OG SER A 59 8.430 10.275 9.851 1.00 0.00 O ATOM 0 H SER A 59 6.523 7.519 11.003 1.00 0.00 H new ATOM 0 HA SER A 59 8.178 6.937 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.393 8.943 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.644 8.927 8.512 1.00 0.00 H new ATOM 0 HG SER A 59 9.005 10.909 9.374 1.00 0.00 H new ATOM 827 N GLY A 60 10.528 8.677 11.161 1.00 0.00 N ATOM 828 CA GLY A 60 11.863 8.540 11.706 1.00 0.00 C ATOM 829 C GLY A 60 12.897 9.257 10.862 1.00 0.00 C ATOM 830 O GLY A 60 13.367 10.336 11.223 1.00 0.00 O ATOM 0 H GLY A 60 10.207 9.639 11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.883 8.939 12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.120 7.483 11.774 1.00 0.00 H new ATOM 834 N GLY A 61 13.236 8.665 9.726 1.00 0.00 N ATOM 835 CA GLY A 61 14.175 9.285 8.810 1.00 0.00 C ATOM 836 C GLY A 61 13.506 10.320 7.938 1.00 0.00 C ATOM 837 O GLY A 61 14.141 10.952 7.095 1.00 0.00 O ATOM 0 H GLY A 61 12.876 7.761 9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.981 9.752 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.630 8.519 8.182 1.00 0.00 H new ATOM 841 N LEU A 62 12.215 10.489 8.150 1.00 0.00 N ATOM 842 CA LEU A 62 11.391 11.283 7.264 1.00 0.00 C ATOM 843 C LEU A 62 10.611 12.336 8.043 1.00 0.00 C ATOM 844 O LEU A 62 10.225 12.104 9.190 1.00 0.00 O ATOM 845 CB LEU A 62 10.419 10.368 6.521 1.00 0.00 C ATOM 846 CG LEU A 62 11.023 9.487 5.423 1.00 0.00 C ATOM 847 CD1 LEU A 62 11.857 8.350 5.998 1.00 0.00 C ATOM 848 CD2 LEU A 62 9.915 8.932 4.565 1.00 0.00 C ATOM 0 H LEU A 62 11.711 10.081 8.938 1.00 0.00 H new ATOM 0 HA LEU A 62 12.038 11.794 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.933 9.721 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.640 10.986 6.074 1.00 0.00 H new ATOM 0 HG LEU A 62 11.689 10.105 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.266 7.751 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.674 8.762 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.229 7.722 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.341 8.304 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.241 8.337 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.361 9.753 4.110 1.00 0.00 H new ATOM 860 N PRO A 63 10.395 13.516 7.435 1.00 0.00 N ATOM 861 CA PRO A 63 9.607 14.595 8.037 1.00 0.00 C ATOM 862 C PRO A 63 8.111 14.463 7.754 1.00 0.00 C ATOM 863 O PRO A 63 7.286 15.127 8.384 1.00 0.00 O ATOM 864 CB PRO A 63 10.165 15.823 7.331 1.00 0.00 C ATOM 865 CG PRO A 63 10.445 15.336 5.954 1.00 0.00 C ATOM 866 CD PRO A 63 10.932 13.917 6.114 1.00 0.00 C ATOM 0 HA PRO A 63 9.684 14.611 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.448 16.644 7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.068 16.190 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.549 15.375 5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.197 15.955 5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.561 13.273 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.020 13.861 6.089 1.00 0.00 H new ATOM 874 N GLU A 64 7.765 13.623 6.785 1.00 0.00 N ATOM 875 CA GLU A 64 6.376 13.426 6.412 1.00 0.00 C ATOM 876 C GLU A 64 5.898 12.034 6.807 1.00 0.00 C ATOM 877 O GLU A 64 5.638 11.769 7.981 1.00 0.00 O ATOM 878 CB GLU A 64 6.146 13.684 4.909 1.00 0.00 C ATOM 879 CG GLU A 64 7.416 13.809 4.066 1.00 0.00 C ATOM 880 CD GLU A 64 8.180 12.516 3.910 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.725 12.028 4.909 1.00 0.00 O ATOM 882 OE2 GLU A 64 8.283 12.018 2.776 1.00 0.00 O ATOM 0 H GLU A 64 8.430 13.069 6.245 1.00 0.00 H new ATOM 0 HA GLU A 64 5.784 14.158 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.541 12.872 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.565 14.600 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.148 14.182 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.070 14.553 4.521 1.00 0.00 H new ATOM 889 N ARG A 65 5.812 11.135 5.847 1.00 0.00 N ATOM 890 CA ARG A 65 5.292 9.810 6.110 1.00 0.00 C ATOM 891 C ARG A 65 6.164 8.757 5.444 1.00 0.00 C ATOM 892 O ARG A 65 6.491 8.870 4.264 1.00 0.00 O ATOM 893 CB ARG A 65 3.857 9.702 5.594 1.00 0.00 C ATOM 894 CG ARG A 65 3.085 8.547 6.197 1.00 0.00 C ATOM 895 CD ARG A 65 2.685 8.851 7.629 1.00 0.00 C ATOM 896 NE ARG A 65 1.573 9.800 7.711 1.00 0.00 N ATOM 897 CZ ARG A 65 1.701 11.096 8.015 1.00 0.00 C ATOM 898 NH1 ARG A 65 2.896 11.614 8.277 1.00 0.00 N ATOM 899 NH2 ARG A 65 0.628 11.876 8.057 1.00 0.00 N ATOM 0 H ARG A 65 6.095 11.298 4.881 1.00 0.00 H new ATOM 0 HA ARG A 65 5.299 9.639 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.331 10.632 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.876 9.590 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.194 8.349 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.694 7.644 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.405 7.924 8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.544 9.255 8.165 1.00 0.00 H new ATOM 0 HE ARG A 65 0.634 9.448 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.726 11.022 8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.983 12.604 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.294 11.487 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.725 12.865 8.289 1.00 0.00 H new ATOM 913 N SER A 66 6.543 7.735 6.193 1.00 0.00 N ATOM 914 CA SER A 66 7.335 6.661 5.630 1.00 0.00 C ATOM 915 C SER A 66 6.488 5.407 5.507 1.00 0.00 C ATOM 916 O SER A 66 6.051 4.833 6.511 1.00 0.00 O ATOM 917 CB SER A 66 8.577 6.397 6.484 1.00 0.00 C ATOM 918 OG SER A 66 8.217 6.003 7.797 1.00 0.00 O ATOM 0 H SER A 66 6.317 7.629 7.182 1.00 0.00 H new ATOM 0 HA SER A 66 7.671 6.956 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.183 5.618 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.192 7.296 6.526 1.00 0.00 H new ATOM 0 HG SER A 66 8.971 5.540 8.218 1.00 0.00 H new ATOM 924 N VAL A 67 6.227 5.010 4.280 1.00 0.00 N ATOM 925 CA VAL A 67 5.429 3.834 4.017 1.00 0.00 C ATOM 926 C VAL A 67 6.322 2.678 3.612 1.00 0.00 C ATOM 927 O VAL A 67 7.040 2.764 2.619 1.00 0.00 O ATOM 928 CB VAL A 67 4.403 4.101 2.901 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.639 2.838 2.550 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.450 5.207 3.314 1.00 0.00 C ATOM 0 H VAL A 67 6.559 5.490 3.443 1.00 0.00 H new ATOM 0 HA VAL A 67 4.893 3.581 4.932 1.00 0.00 H new ATOM 0 HB VAL A 67 4.944 4.423 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.921 3.055 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.337 2.074 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.110 2.476 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.730 5.385 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.921 4.912 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.013 6.120 3.504 1.00 0.00 H new ATOM 940 N SER A 68 6.294 1.608 4.381 1.00 0.00 N ATOM 941 CA SER A 68 7.065 0.438 4.030 1.00 0.00 C ATOM 942 C SER A 68 6.264 -0.488 3.140 1.00 0.00 C ATOM 943 O SER A 68 5.139 -0.875 3.465 1.00 0.00 O ATOM 944 CB SER A 68 7.523 -0.327 5.260 1.00 0.00 C ATOM 945 OG SER A 68 8.423 0.439 6.043 1.00 0.00 O ATOM 0 H SER A 68 5.753 1.526 5.242 1.00 0.00 H new ATOM 0 HA SER A 68 7.945 0.791 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.657 -0.601 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.005 -1.256 4.954 1.00 0.00 H new ATOM 0 HG SER A 68 8.698 -0.080 6.827 1.00 0.00 H new ATOM 951 N LEU A 69 6.851 -0.821 2.016 1.00 0.00 N ATOM 952 CA LEU A 69 6.243 -1.731 1.077 1.00 0.00 C ATOM 953 C LEU A 69 6.875 -3.111 1.187 1.00 0.00 C ATOM 954 O LEU A 69 8.006 -3.317 0.744 1.00 0.00 O ATOM 955 CB LEU A 69 6.424 -1.199 -0.338 1.00 0.00 C ATOM 956 CG LEU A 69 5.515 -0.031 -0.752 1.00 0.00 C ATOM 957 CD1 LEU A 69 4.051 -0.433 -0.663 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.775 1.210 0.086 1.00 0.00 C ATOM 0 H LEU A 69 7.763 -0.469 1.727 1.00 0.00 H new ATOM 0 HA LEU A 69 5.180 -1.813 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.461 -0.882 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.262 -2.021 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 69 5.751 0.214 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.424 0.408 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.864 -1.277 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.814 -0.718 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.113 2.013 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.587 0.986 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.812 1.523 -0.039 1.00 0.00 H new ATOM 970 N THR A 70 6.169 -4.041 1.812 1.00 0.00 N ATOM 971 CA THR A 70 6.628 -5.422 1.901 1.00 0.00 C ATOM 972 C THR A 70 5.427 -6.364 1.999 1.00 0.00 C ATOM 973 O THR A 70 4.395 -5.988 2.543 1.00 0.00 O ATOM 974 CB THR A 70 7.550 -5.625 3.121 1.00 0.00 C ATOM 975 OG1 THR A 70 8.425 -4.503 3.263 1.00 0.00 O ATOM 976 CG2 THR A 70 8.385 -6.874 2.948 1.00 0.00 C ATOM 0 H THR A 70 5.273 -3.865 2.267 1.00 0.00 H new ATOM 0 HA THR A 70 7.198 -5.649 1.000 1.00 0.00 H new ATOM 0 HB THR A 70 6.926 -5.725 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.352 -4.816 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.030 -7.004 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.729 -7.739 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.998 -6.781 2.052 1.00 0.00 H new ATOM 984 N GLY A 71 5.542 -7.573 1.466 1.00 0.00 N ATOM 985 CA GLY A 71 4.434 -8.509 1.541 1.00 0.00 C ATOM 986 C GLY A 71 4.671 -9.777 0.746 1.00 0.00 C ATOM 987 O GLY A 71 5.276 -10.721 1.243 1.00 0.00 O ATOM 0 H GLY A 71 6.373 -7.921 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.257 -8.770 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.530 -8.022 1.176 1.00 0.00 H new ATOM 991 N ALA A 72 4.198 -9.790 -0.490 1.00 0.00 N ATOM 992 CA ALA A 72 4.312 -10.959 -1.351 1.00 0.00 C ATOM 993 C ALA A 72 4.570 -10.504 -2.783 1.00 0.00 C ATOM 994 O ALA A 72 4.324 -9.345 -3.096 1.00 0.00 O ATOM 995 CB ALA A 72 3.048 -11.803 -1.256 1.00 0.00 C ATOM 0 H ALA A 72 3.727 -8.996 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 72 5.149 -11.578 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.143 -12.675 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.905 -12.130 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.190 -11.209 -1.571 1.00 0.00 H new ATOM 1001 N PRO A 73 5.068 -11.397 -3.665 1.00 0.00 N ATOM 1002 CA PRO A 73 5.452 -11.042 -5.043 1.00 0.00 C ATOM 1003 C PRO A 73 4.408 -10.191 -5.768 1.00 0.00 C ATOM 1004 O PRO A 73 4.707 -9.093 -6.240 1.00 0.00 O ATOM 1005 CB PRO A 73 5.605 -12.403 -5.722 1.00 0.00 C ATOM 1006 CG PRO A 73 6.009 -13.322 -4.625 1.00 0.00 C ATOM 1007 CD PRO A 73 5.302 -12.832 -3.391 1.00 0.00 C ATOM 0 HA PRO A 73 6.352 -10.428 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.671 -12.723 -6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.357 -12.371 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.727 -14.350 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.090 -13.311 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.366 -13.366 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.910 -12.975 -2.498 1.00 0.00 H new ATOM 1015 N GLU A 74 3.182 -10.686 -5.836 1.00 0.00 N ATOM 1016 CA GLU A 74 2.118 -9.980 -6.538 1.00 0.00 C ATOM 1017 C GLU A 74 1.491 -8.930 -5.628 1.00 0.00 C ATOM 1018 O GLU A 74 1.076 -7.858 -6.081 1.00 0.00 O ATOM 1019 CB GLU A 74 1.056 -10.974 -7.011 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.092 -10.340 -7.774 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.133 -11.359 -8.180 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -0.997 -11.955 -9.270 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -2.091 -11.575 -7.407 1.00 0.00 O ATOM 0 H GLU A 74 2.898 -11.571 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 74 2.542 -9.477 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.531 -11.721 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.655 -11.500 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.558 -9.572 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.295 -9.842 -8.663 1.00 0.00 H new ATOM 1030 N SER A 75 1.452 -9.239 -4.338 1.00 0.00 N ATOM 1031 CA SER A 75 0.831 -8.369 -3.355 1.00 0.00 C ATOM 1032 C SER A 75 1.573 -7.044 -3.242 1.00 0.00 C ATOM 1033 O SER A 75 0.960 -5.975 -3.232 1.00 0.00 O ATOM 1034 CB SER A 75 0.800 -9.071 -1.997 1.00 0.00 C ATOM 1035 OG SER A 75 0.124 -10.312 -2.084 1.00 0.00 O ATOM 0 H SER A 75 1.848 -10.095 -3.948 1.00 0.00 H new ATOM 0 HA SER A 75 -0.187 -8.155 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.818 -9.231 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.305 -8.433 -1.265 1.00 0.00 H new ATOM 0 HG SER A 75 -0.840 -10.155 -2.160 1.00 0.00 H new ATOM 1041 N VAL A 76 2.892 -7.120 -3.185 1.00 0.00 N ATOM 1042 CA VAL A 76 3.713 -5.941 -2.976 1.00 0.00 C ATOM 1043 C VAL A 76 3.683 -5.040 -4.211 1.00 0.00 C ATOM 1044 O VAL A 76 3.854 -3.828 -4.108 1.00 0.00 O ATOM 1045 CB VAL A 76 5.170 -6.329 -2.612 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.993 -6.682 -3.846 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.837 -5.227 -1.802 1.00 0.00 C ATOM 0 H VAL A 76 3.418 -7.989 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 76 3.297 -5.386 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 76 5.123 -7.226 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.006 -6.947 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.535 -7.527 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.028 -5.824 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.858 -5.522 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.854 -4.306 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.277 -5.063 -0.881 1.00 0.00 H new ATOM 1057 N GLN A 77 3.435 -5.638 -5.374 1.00 0.00 N ATOM 1058 CA GLN A 77 3.365 -4.880 -6.616 1.00 0.00 C ATOM 1059 C GLN A 77 2.101 -4.024 -6.648 1.00 0.00 C ATOM 1060 O GLN A 77 2.146 -2.852 -7.020 1.00 0.00 O ATOM 1061 CB GLN A 77 3.398 -5.821 -7.822 1.00 0.00 C ATOM 1062 CG GLN A 77 3.409 -5.096 -9.161 1.00 0.00 C ATOM 1063 CD GLN A 77 3.439 -6.045 -10.342 1.00 0.00 C ATOM 1064 OE1 GLN A 77 3.989 -7.145 -10.259 1.00 0.00 O ATOM 1065 NE2 GLN A 77 2.853 -5.626 -11.453 1.00 0.00 N ATOM 0 H GLN A 77 3.280 -6.641 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 77 4.233 -4.222 -6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.283 -6.454 -7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.530 -6.480 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.526 -4.462 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.278 -4.439 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.409 -4.708 -11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.846 -6.221 -12.281 1.00 0.00 H new ATOM 1074 N LYS A 78 0.979 -4.613 -6.243 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.294 -3.898 -6.220 1.00 0.00 C ATOM 1076 C LYS A 78 -0.257 -2.774 -5.185 1.00 0.00 C ATOM 1077 O LYS A 78 -0.694 -1.647 -5.450 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.443 -4.868 -5.920 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.819 -4.222 -5.967 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.136 -3.675 -7.347 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.465 -2.941 -7.358 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.610 -3.844 -7.061 1.00 0.00 N ATOM 0 H LYS A 78 0.925 -5.581 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.462 -3.455 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.412 -5.687 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.290 -5.304 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.575 -4.955 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.867 -3.415 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.342 -2.999 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.164 -4.493 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.439 -2.136 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.614 -2.478 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.503 -3.338 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.564 -4.679 -7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.564 -4.147 -6.067 1.00 0.00 H new ATOM 1096 N ALA A 79 0.279 -3.083 -4.011 1.00 0.00 N ATOM 1097 CA ALA A 79 0.457 -2.082 -2.971 1.00 0.00 C ATOM 1098 C ALA A 79 1.243 -0.892 -3.514 1.00 0.00 C ATOM 1099 O ALA A 79 0.835 0.263 -3.372 1.00 0.00 O ATOM 1100 CB ALA A 79 1.185 -2.685 -1.791 1.00 0.00 C ATOM 0 H ALA A 79 0.597 -4.018 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.524 -1.737 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.314 -1.928 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.605 -3.517 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.162 -3.046 -2.112 1.00 0.00 H new ATOM 1106 N LYS A 80 2.357 -1.194 -4.175 1.00 0.00 N ATOM 1107 CA LYS A 80 3.239 -0.166 -4.709 1.00 0.00 C ATOM 1108 C LYS A 80 2.635 0.559 -5.904 1.00 0.00 C ATOM 1109 O LYS A 80 3.009 1.689 -6.175 1.00 0.00 O ATOM 1110 CB LYS A 80 4.587 -0.754 -5.119 1.00 0.00 C ATOM 1111 CG LYS A 80 5.466 -1.176 -3.957 1.00 0.00 C ATOM 1112 CD LYS A 80 6.842 -1.593 -4.447 1.00 0.00 C ATOM 1113 CE LYS A 80 6.760 -2.793 -5.375 1.00 0.00 C ATOM 1114 NZ LYS A 80 7.925 -2.866 -6.295 1.00 0.00 N ATOM 0 H LYS A 80 2.670 -2.148 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 80 3.379 0.555 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.413 -1.618 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.124 -0.018 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.561 -0.353 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.999 -2.003 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.312 -0.759 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.476 -1.834 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.708 -3.707 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.841 -2.738 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.830 -3.699 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.961 -2.006 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.801 -2.944 -5.740 1.00 0.00 H new ATOM 1128 N MET A 81 1.718 -0.073 -6.629 1.00 0.00 N ATOM 1129 CA MET A 81 1.146 0.567 -7.811 1.00 0.00 C ATOM 1130 C MET A 81 0.245 1.726 -7.389 1.00 0.00 C ATOM 1131 O MET A 81 0.135 2.731 -8.096 1.00 0.00 O ATOM 1132 CB MET A 81 0.409 -0.445 -8.713 1.00 0.00 C ATOM 1133 CG MET A 81 -0.966 -0.878 -8.229 1.00 0.00 C ATOM 1134 SD MET A 81 -2.291 0.206 -8.803 1.00 0.00 S ATOM 1135 CE MET A 81 -2.177 -0.040 -10.576 1.00 0.00 C ATOM 0 H MET A 81 1.360 -1.007 -6.427 1.00 0.00 H new ATOM 0 HA MET A 81 1.960 0.970 -8.414 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.304 -0.009 -9.707 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.033 -1.332 -8.818 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.162 -1.894 -8.571 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.970 -0.902 -7.139 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.147 0.156 -11.034 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.435 0.642 -10.991 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.880 -1.068 -10.782 1.00 0.00 H new ATOM 1145 N MET A 82 -0.372 1.603 -6.212 1.00 0.00 N ATOM 1146 CA MET A 82 -1.132 2.719 -5.649 1.00 0.00 C ATOM 1147 C MET A 82 -0.195 3.759 -5.040 1.00 0.00 C ATOM 1148 O MET A 82 -0.448 4.962 -5.121 1.00 0.00 O ATOM 1149 CB MET A 82 -2.133 2.244 -4.594 1.00 0.00 C ATOM 1150 CG MET A 82 -3.346 1.539 -5.174 1.00 0.00 C ATOM 1151 SD MET A 82 -4.178 2.514 -6.444 1.00 0.00 S ATOM 1152 CE MET A 82 -4.678 3.950 -5.498 1.00 0.00 C ATOM 0 H MET A 82 -0.361 0.759 -5.640 1.00 0.00 H new ATOM 0 HA MET A 82 -1.689 3.175 -6.467 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.627 1.568 -3.905 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.467 3.102 -4.011 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.037 0.584 -5.599 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.050 1.318 -4.372 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.716 4.192 -5.726 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.580 3.737 -4.434 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.042 4.796 -5.758 1.00 0.00 H new ATOM 1162 N LEU A 83 0.892 3.285 -4.438 1.00 0.00 N ATOM 1163 CA LEU A 83 1.893 4.168 -3.837 1.00 0.00 C ATOM 1164 C LEU A 83 2.554 5.033 -4.896 1.00 0.00 C ATOM 1165 O LEU A 83 2.660 6.244 -4.735 1.00 0.00 O ATOM 1166 CB LEU A 83 2.962 3.361 -3.086 1.00 0.00 C ATOM 1167 CG LEU A 83 2.748 3.206 -1.574 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.807 4.560 -0.885 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.424 2.519 -1.276 1.00 0.00 C ATOM 0 H LEU A 83 1.105 2.291 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 83 1.378 4.812 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.016 2.367 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.929 3.836 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 83 3.551 2.580 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.653 4.430 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.782 5.015 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.028 5.207 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.299 2.422 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.606 3.112 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.417 1.529 -1.732 1.00 0.00 H new ATOM 1181 N ASP A 84 2.995 4.396 -5.972 1.00 0.00 N ATOM 1182 CA ASP A 84 3.601 5.094 -7.099 1.00 0.00 C ATOM 1183 C ASP A 84 2.629 6.118 -7.655 1.00 0.00 C ATOM 1184 O ASP A 84 3.001 7.258 -7.924 1.00 0.00 O ATOM 1185 CB ASP A 84 3.981 4.091 -8.194 1.00 0.00 C ATOM 1186 CG ASP A 84 4.643 4.736 -9.398 1.00 0.00 C ATOM 1187 OD1 ASP A 84 3.927 5.132 -10.342 1.00 0.00 O ATOM 1188 OD2 ASP A 84 5.890 4.817 -9.423 1.00 0.00 O ATOM 0 H ASP A 84 2.943 3.384 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 84 4.501 5.604 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.655 3.344 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.085 3.564 -8.520 1.00 0.00 H new ATOM 1193 N ASP A 85 1.378 5.698 -7.789 1.00 0.00 N ATOM 1194 CA ASP A 85 0.319 6.545 -8.315 1.00 0.00 C ATOM 1195 C ASP A 85 0.204 7.850 -7.528 1.00 0.00 C ATOM 1196 O ASP A 85 0.367 8.947 -8.078 1.00 0.00 O ATOM 1197 CB ASP A 85 -1.008 5.782 -8.261 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.124 6.479 -9.011 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.567 7.556 -8.573 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.575 5.932 -10.040 1.00 0.00 O ATOM 0 H ASP A 85 1.070 4.759 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 85 0.561 6.801 -9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.865 4.785 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.304 5.652 -7.220 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.053 7.722 -6.235 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.282 8.878 -5.379 1.00 0.00 C ATOM 1207 C ILE A 86 1.004 9.656 -5.107 1.00 0.00 C ATOM 1208 O ILE A 86 1.029 10.880 -5.196 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.948 8.462 -4.044 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.466 8.414 -4.211 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.560 9.397 -2.909 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.950 7.274 -5.081 1.00 0.00 C ATOM 0 H ILE A 86 -0.109 6.825 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.961 9.538 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.588 7.467 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.928 8.329 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.805 9.356 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.046 9.074 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.521 9.377 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.877 10.412 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.037 7.307 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.518 7.368 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.643 6.325 -4.641 1.00 0.00 H new ATOM 1224 N VAL A 87 2.075 8.956 -4.793 1.00 0.00 N ATOM 1225 CA VAL A 87 3.319 9.617 -4.443 1.00 0.00 C ATOM 1226 C VAL A 87 3.917 10.349 -5.645 1.00 0.00 C ATOM 1227 O VAL A 87 4.576 11.377 -5.483 1.00 0.00 O ATOM 1228 CB VAL A 87 4.314 8.622 -3.810 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.748 9.123 -3.877 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.917 8.382 -2.363 1.00 0.00 C ATOM 0 H VAL A 87 2.111 7.937 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 87 3.101 10.375 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 87 4.272 7.692 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.412 8.389 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.034 9.271 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.828 10.069 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.614 7.680 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.942 9.325 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.909 7.969 -2.326 1.00 0.00 H new ATOM 1240 N SER A 88 3.648 9.860 -6.849 1.00 0.00 N ATOM 1241 CA SER A 88 4.078 10.561 -8.050 1.00 0.00 C ATOM 1242 C SER A 88 3.280 11.855 -8.215 1.00 0.00 C ATOM 1243 O SER A 88 3.845 12.897 -8.549 1.00 0.00 O ATOM 1244 CB SER A 88 3.921 9.680 -9.292 1.00 0.00 C ATOM 1245 OG SER A 88 4.511 10.288 -10.430 1.00 0.00 O ATOM 0 H SER A 88 3.140 8.992 -7.018 1.00 0.00 H new ATOM 0 HA SER A 88 5.135 10.803 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.384 8.710 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.863 9.498 -9.481 1.00 0.00 H new ATOM 0 HG SER A 88 4.398 9.704 -11.209 1.00 0.00 H new ATOM 1251 N ARG A 89 1.971 11.798 -7.950 1.00 0.00 N ATOM 1252 CA ARG A 89 1.125 12.989 -8.055 1.00 0.00 C ATOM 1253 C ARG A 89 1.390 13.939 -6.884 1.00 0.00 C ATOM 1254 O ARG A 89 0.976 15.099 -6.898 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.372 12.618 -8.114 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.002 12.287 -6.766 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.511 12.120 -6.866 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.902 10.837 -7.451 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.169 10.467 -7.647 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -5.165 11.298 -7.361 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.441 9.267 -8.134 1.00 0.00 N ATOM 0 H ARG A 89 1.480 10.951 -7.665 1.00 0.00 H new ATOM 0 HA ARG A 89 1.381 13.494 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.920 13.447 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.494 11.761 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.561 11.370 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.772 13.080 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.948 12.209 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.922 12.930 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.164 10.188 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.964 12.226 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.131 11.008 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.682 8.624 -8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.410 8.985 -8.284 1.00 0.00 H new ATOM 1275 N GLY A 90 2.088 13.435 -5.873 1.00 0.00 N ATOM 1276 CA GLY A 90 2.397 14.236 -4.708 1.00 0.00 C ATOM 1277 C GLY A 90 3.771 14.873 -4.775 1.00 0.00 C ATOM 1278 O GLY A 90 3.947 16.016 -4.363 1.00 0.00 O ATOM 0 H GLY A 90 2.446 12.480 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.645 15.018 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.335 13.611 -3.817 1.00 0.00 H new ATOM 1282 N ARG A 91 4.749 14.132 -5.282 1.00 0.00 N ATOM 1283 CA ARG A 91 6.118 14.632 -5.369 1.00 0.00 C ATOM 1284 C ARG A 91 6.916 13.889 -6.440 1.00 0.00 C ATOM 1285 O ARG A 91 7.574 14.506 -7.276 1.00 0.00 O ATOM 1286 CB ARG A 91 6.834 14.515 -4.013 1.00 0.00 C ATOM 1287 CG ARG A 91 6.728 13.140 -3.370 1.00 0.00 C ATOM 1288 CD ARG A 91 7.751 12.954 -2.261 1.00 0.00 C ATOM 1289 NE ARG A 91 7.578 13.907 -1.169 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.330 13.913 -0.070 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.353 13.071 0.043 1.00 0.00 N ATOM 1292 NH2 ARG A 91 8.069 14.768 0.910 1.00 0.00 N ATOM 0 H ARG A 91 4.621 13.185 -5.639 1.00 0.00 H new ATOM 0 HA ARG A 91 6.060 15.684 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.887 14.761 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.419 15.256 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.725 13.004 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.872 12.372 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.675 11.940 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.753 13.061 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 91 6.841 14.607 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.563 12.419 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.928 13.077 0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.291 15.422 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.646 14.771 1.751 1.00 0.00 H new ATOM 1306 N GLY A 92 6.844 12.566 -6.417 1.00 0.00 N ATOM 1307 CA GLY A 92 7.644 11.759 -7.317 1.00 0.00 C ATOM 1308 C GLY A 92 8.602 10.863 -6.562 1.00 0.00 C ATOM 1309 O GLY A 92 8.822 9.711 -6.936 1.00 0.00 O ATOM 0 H GLY A 92 6.243 12.034 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.989 11.149 -7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.206 12.409 -7.988 1.00 0.00 H new ATOM 1313 N GLY A 93 9.174 11.396 -5.495 1.00 0.00 N ATOM 1314 CA GLY A 93 10.069 10.626 -4.660 1.00 0.00 C ATOM 1315 C GLY A 93 10.602 11.461 -3.522 1.00 0.00 C ATOM 1316 O GLY A 93 10.914 10.905 -2.450 1.00 0.00 O ATOM 1317 OXT GLY A 93 10.691 12.693 -3.695 1.00 0.00 O ATOM 0 H GLY A 93 9.032 12.359 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.544 9.757 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.898 10.251 -5.260 1.00 0.00 H new TER 1321 GLY A 93