USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.142 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -173:sc= -0.102 (180deg=-0.129) USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= -2.78 (180deg=-4.53!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Single : A 23 THR OG1 : rot -120:sc= -0.665 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 149:sc= -0.605 (180deg=-2.33!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.228 F(o=-0.96,f=-0.23) USER MOD Single : A 49 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -4.39! C(o=-6.3!,f=-4.4!) USER MOD Single : A 60 GLN : amide:sc= -0.0949 K(o=-0.095,f=-1.8!) USER MOD Single : A 64 SER OG : rot 170:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0235 X(o=-0.023,f=-0.087) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.232 F(o=-1.1,f=-0.23) USER MOD Single : A 77 SER OG : rot 180:sc= -0.382 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 90 SER OG : rot 180:sc= -0.237 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.163 -1.357 -20.839 1.00 0.00 N ATOM 2 CA GLY A 1 5.137 -2.807 -20.785 1.00 0.00 C ATOM 3 C GLY A 1 5.464 -3.341 -19.405 1.00 0.00 C ATOM 4 O GLY A 1 6.632 -3.523 -19.063 1.00 0.00 O ATOM 0 H1 GLY A 1 4.933 -1.041 -21.803 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.463 -0.972 -20.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.111 -1.017 -20.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.150 -3.161 -21.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.851 -3.207 -21.505 1.00 0.00 H new ATOM 8 N SER A 2 4.429 -3.593 -18.610 1.00 0.00 N ATOM 9 CA SER A 2 4.612 -4.105 -17.257 1.00 0.00 C ATOM 10 C SER A 2 4.539 -5.629 -17.238 1.00 0.00 C ATOM 11 O SER A 2 3.631 -6.225 -17.817 1.00 0.00 O ATOM 12 CB SER A 2 3.552 -3.521 -16.320 1.00 0.00 C ATOM 13 OG SER A 2 2.277 -4.081 -16.581 1.00 0.00 O ATOM 0 H SER A 2 3.456 -3.451 -18.879 1.00 0.00 H new ATOM 0 HA SER A 2 5.600 -3.801 -16.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.832 -3.713 -15.284 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.510 -2.439 -16.443 1.00 0.00 H new ATOM 0 HG SER A 2 2.377 -4.871 -17.152 1.00 0.00 H new ATOM 19 N SER A 3 5.502 -6.253 -16.567 1.00 0.00 N ATOM 20 CA SER A 3 5.551 -7.708 -16.475 1.00 0.00 C ATOM 21 C SER A 3 4.865 -8.195 -15.203 1.00 0.00 C ATOM 22 O SER A 3 5.437 -8.139 -14.115 1.00 0.00 O ATOM 23 CB SER A 3 7.002 -8.193 -16.504 1.00 0.00 C ATOM 24 OG SER A 3 7.071 -9.602 -16.364 1.00 0.00 O ATOM 0 H SER A 3 6.259 -5.774 -16.079 1.00 0.00 H new ATOM 0 HA SER A 3 5.020 -8.120 -17.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.470 -7.894 -17.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.564 -7.716 -15.701 1.00 0.00 H new ATOM 0 HG SER A 3 8.008 -9.888 -16.387 1.00 0.00 H new ATOM 30 N GLY A 4 3.633 -8.673 -15.348 1.00 0.00 N ATOM 31 CA GLY A 4 2.888 -9.163 -14.204 1.00 0.00 C ATOM 32 C GLY A 4 1.388 -9.043 -14.393 1.00 0.00 C ATOM 33 O GLY A 4 0.891 -7.999 -14.817 1.00 0.00 O ATOM 0 H GLY A 4 3.138 -8.729 -16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.146 -10.207 -14.026 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.185 -8.606 -13.315 1.00 0.00 H new ATOM 37 N SER A 5 0.666 -10.113 -14.079 1.00 0.00 N ATOM 38 CA SER A 5 -0.785 -10.125 -14.223 1.00 0.00 C ATOM 39 C SER A 5 -1.463 -10.338 -12.872 1.00 0.00 C ATOM 40 O SER A 5 -2.314 -9.550 -12.461 1.00 0.00 O ATOM 41 CB SER A 5 -1.214 -11.222 -15.200 1.00 0.00 C ATOM 42 OG SER A 5 -2.606 -11.160 -15.457 1.00 0.00 O ATOM 0 H SER A 5 1.062 -10.983 -13.723 1.00 0.00 H new ATOM 0 HA SER A 5 -1.094 -9.157 -14.617 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.663 -11.116 -16.135 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.960 -12.199 -14.789 1.00 0.00 H new ATOM 0 HG SER A 5 -2.855 -11.870 -16.085 1.00 0.00 H new ATOM 48 N SER A 6 -1.078 -11.410 -12.187 1.00 0.00 N ATOM 49 CA SER A 6 -1.650 -11.730 -10.884 1.00 0.00 C ATOM 50 C SER A 6 -1.323 -10.643 -9.865 1.00 0.00 C ATOM 51 O SER A 6 -0.247 -10.638 -9.270 1.00 0.00 O ATOM 52 CB SER A 6 -1.126 -13.081 -10.392 1.00 0.00 C ATOM 53 OG SER A 6 -1.681 -14.147 -11.142 1.00 0.00 O ATOM 0 H SER A 6 -0.373 -12.071 -12.512 1.00 0.00 H new ATOM 0 HA SER A 6 -2.733 -11.786 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.039 -13.104 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.371 -13.208 -9.338 1.00 0.00 H new ATOM 0 HG SER A 6 -1.329 -14.999 -10.809 1.00 0.00 H new ATOM 59 N GLY A 7 -2.262 -9.722 -9.670 1.00 0.00 N ATOM 60 CA GLY A 7 -2.057 -8.642 -8.723 1.00 0.00 C ATOM 61 C GLY A 7 -1.852 -7.304 -9.406 1.00 0.00 C ATOM 62 O GLY A 7 -2.427 -7.044 -10.463 1.00 0.00 O ATOM 0 H GLY A 7 -3.161 -9.705 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.917 -8.579 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.189 -8.867 -8.102 1.00 0.00 H new ATOM 66 N ARG A 8 -1.033 -6.451 -8.799 1.00 0.00 N ATOM 67 CA ARG A 8 -0.757 -5.131 -9.354 1.00 0.00 C ATOM 68 C ARG A 8 0.623 -4.639 -8.926 1.00 0.00 C ATOM 69 O ARG A 8 1.007 -4.773 -7.764 1.00 0.00 O ATOM 70 CB ARG A 8 -1.827 -4.133 -8.908 1.00 0.00 C ATOM 71 CG ARG A 8 -1.530 -2.699 -9.316 1.00 0.00 C ATOM 72 CD ARG A 8 -2.501 -1.724 -8.668 1.00 0.00 C ATOM 73 NE ARG A 8 -3.817 -1.760 -9.301 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.900 -1.198 -8.777 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.824 -0.559 -7.617 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.062 -1.273 -9.412 1.00 0.00 N ATOM 0 H ARG A 8 -0.549 -6.650 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.775 -5.210 -10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.787 -4.430 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.926 -4.180 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.510 -2.442 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.590 -2.608 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.601 -1.962 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.096 -0.714 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.909 -2.243 -10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.932 -0.499 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.657 -0.128 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.125 -1.763 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.893 -0.841 -9.008 1.00 0.00 H new ATOM 90 N MET A 9 1.362 -4.071 -9.872 1.00 0.00 N ATOM 91 CA MET A 9 2.699 -3.558 -9.592 1.00 0.00 C ATOM 92 C MET A 9 2.703 -2.033 -9.573 1.00 0.00 C ATOM 93 O MET A 9 2.208 -1.389 -10.498 1.00 0.00 O ATOM 94 CB MET A 9 3.693 -4.070 -10.636 1.00 0.00 C ATOM 95 CG MET A 9 4.111 -5.515 -10.420 1.00 0.00 C ATOM 96 SD MET A 9 4.809 -5.799 -8.782 1.00 0.00 S ATOM 97 CE MET A 9 5.691 -7.335 -9.051 1.00 0.00 C ATOM 0 H MET A 9 1.059 -3.954 -10.839 1.00 0.00 H new ATOM 0 HA MET A 9 3.000 -3.916 -8.608 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.249 -3.973 -11.627 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.581 -3.438 -10.621 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.246 -6.164 -10.560 1.00 0.00 H new ATOM 0 HG3 MET A 9 4.844 -5.794 -11.177 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.073 -7.707 -8.100 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.014 -8.072 -9.483 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.523 -7.162 -9.734 1.00 0.00 H new ATOM 107 N VAL A 10 3.266 -1.461 -8.513 1.00 0.00 N ATOM 108 CA VAL A 10 3.335 -0.011 -8.374 1.00 0.00 C ATOM 109 C VAL A 10 4.781 0.464 -8.289 1.00 0.00 C ATOM 110 O VAL A 10 5.526 0.064 -7.395 1.00 0.00 O ATOM 111 CB VAL A 10 2.574 0.470 -7.125 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.759 1.968 -6.931 1.00 0.00 C ATOM 113 CG2 VAL A 10 1.098 0.116 -7.231 1.00 0.00 C ATOM 0 H VAL A 10 3.681 -1.979 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 10 2.867 0.415 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 10 2.984 -0.039 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.214 2.290 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.819 2.191 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.377 2.498 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.576 0.463 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.671 0.596 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.988 -0.965 -7.318 1.00 0.00 H new ATOM 123 N GLY A 11 5.173 1.322 -9.227 1.00 0.00 N ATOM 124 CA GLY A 11 6.529 1.838 -9.240 1.00 0.00 C ATOM 125 C GLY A 11 6.650 3.168 -8.523 1.00 0.00 C ATOM 126 O GLY A 11 5.929 4.117 -8.834 1.00 0.00 O ATOM 0 H GLY A 11 4.575 1.668 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.195 1.114 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.861 1.953 -10.272 1.00 0.00 H new ATOM 130 N ILE A 12 7.562 3.237 -7.558 1.00 0.00 N ATOM 131 CA ILE A 12 7.773 4.460 -6.794 1.00 0.00 C ATOM 132 C ILE A 12 9.161 5.037 -7.054 1.00 0.00 C ATOM 133 O ILE A 12 10.144 4.301 -7.139 1.00 0.00 O ATOM 134 CB ILE A 12 7.606 4.216 -5.283 1.00 0.00 C ATOM 135 CG1 ILE A 12 6.251 3.564 -4.997 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.743 5.523 -4.517 1.00 0.00 C ATOM 137 CD1 ILE A 12 6.233 2.741 -3.728 1.00 0.00 C ATOM 0 H ILE A 12 8.166 2.461 -7.287 1.00 0.00 H new ATOM 0 HA ILE A 12 7.017 5.173 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 12 8.392 3.538 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.490 4.341 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.979 2.926 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.622 5.334 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.729 5.951 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.976 6.222 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.242 2.309 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.970 1.942 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.474 3.379 -2.877 1.00 0.00 H new ATOM 149 N ARG A 13 9.233 6.358 -7.177 1.00 0.00 N ATOM 150 CA ARG A 13 10.500 7.035 -7.426 1.00 0.00 C ATOM 151 C ARG A 13 10.999 7.736 -6.166 1.00 0.00 C ATOM 152 O ARG A 13 11.689 8.753 -6.239 1.00 0.00 O ATOM 153 CB ARG A 13 10.347 8.050 -8.560 1.00 0.00 C ATOM 154 CG ARG A 13 9.532 9.274 -8.176 1.00 0.00 C ATOM 155 CD ARG A 13 8.046 9.050 -8.410 1.00 0.00 C ATOM 156 NE ARG A 13 7.347 10.295 -8.715 1.00 0.00 N ATOM 157 CZ ARG A 13 7.034 11.206 -7.801 1.00 0.00 C ATOM 158 NH1 ARG A 13 7.358 11.013 -6.530 1.00 0.00 N ATOM 159 NH2 ARG A 13 6.397 12.314 -8.157 1.00 0.00 N ATOM 0 H ARG A 13 8.428 6.981 -7.108 1.00 0.00 H new ATOM 0 HA ARG A 13 11.233 6.283 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.337 8.370 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.874 7.562 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.704 9.512 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.868 10.133 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.910 8.347 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.604 8.594 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 13 7.084 10.475 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.849 10.163 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.116 11.714 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.147 12.467 -9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.157 13.013 -7.454 1.00 0.00 H new ATOM 173 N LYS A 14 10.646 7.185 -5.009 1.00 0.00 N ATOM 174 CA LYS A 14 11.057 7.755 -3.732 1.00 0.00 C ATOM 175 C LYS A 14 12.576 7.744 -3.596 1.00 0.00 C ATOM 176 O LYS A 14 13.278 7.126 -4.397 1.00 0.00 O ATOM 177 CB LYS A 14 10.425 6.977 -2.575 1.00 0.00 C ATOM 178 CG LYS A 14 10.842 5.517 -2.525 1.00 0.00 C ATOM 179 CD LYS A 14 9.913 4.703 -1.639 1.00 0.00 C ATOM 180 CE LYS A 14 10.047 5.100 -0.177 1.00 0.00 C ATOM 181 NZ LYS A 14 9.431 4.092 0.730 1.00 0.00 N ATOM 0 H LYS A 14 10.075 6.343 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 14 10.714 8.789 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.697 7.456 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.340 7.034 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.841 5.102 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.863 5.442 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.882 4.846 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.138 3.642 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.102 5.217 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.573 6.069 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.006 4.574 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.694 3.567 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.162 3.430 1.060 1.00 0.00 H new ATOM 195 N THR A 15 13.079 8.431 -2.574 1.00 0.00 N ATOM 196 CA THR A 15 14.515 8.500 -2.333 1.00 0.00 C ATOM 197 C THR A 15 14.857 8.043 -0.919 1.00 0.00 C ATOM 198 O THR A 15 14.094 8.272 0.019 1.00 0.00 O ATOM 199 CB THR A 15 15.052 9.928 -2.543 1.00 0.00 C ATOM 200 OG1 THR A 15 14.757 10.372 -3.872 1.00 0.00 O ATOM 201 CG2 THR A 15 16.554 9.982 -2.307 1.00 0.00 C ATOM 0 H THR A 15 12.513 8.947 -1.900 1.00 0.00 H new ATOM 0 HA THR A 15 14.989 7.833 -3.053 1.00 0.00 H new ATOM 0 HB THR A 15 14.563 10.585 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.100 11.281 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.910 11.001 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.773 9.672 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.056 9.312 -3.005 1.00 0.00 H new ATOM 209 N ALA A 16 16.010 7.397 -0.774 1.00 0.00 N ATOM 210 CA ALA A 16 16.454 6.911 0.526 1.00 0.00 C ATOM 211 C ALA A 16 16.157 7.928 1.624 1.00 0.00 C ATOM 212 O ALA A 16 16.807 8.968 1.712 1.00 0.00 O ATOM 213 CB ALA A 16 17.941 6.590 0.490 1.00 0.00 C ATOM 0 H ALA A 16 16.653 7.199 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 16 15.902 5.999 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.259 6.228 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.129 5.822 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.501 7.490 0.236 1.00 0.00 H new ATOM 219 N GLY A 17 15.168 7.619 2.458 1.00 0.00 N ATOM 220 CA GLY A 17 14.802 8.517 3.538 1.00 0.00 C ATOM 221 C GLY A 17 13.437 9.144 3.333 1.00 0.00 C ATOM 222 O GLY A 17 13.286 10.361 3.431 1.00 0.00 O ATOM 0 H GLY A 17 14.615 6.764 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.809 7.969 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.551 9.304 3.622 1.00 0.00 H new ATOM 226 N GLU A 18 12.442 8.310 3.046 1.00 0.00 N ATOM 227 CA GLU A 18 11.084 8.792 2.824 1.00 0.00 C ATOM 228 C GLU A 18 10.059 7.779 3.326 1.00 0.00 C ATOM 229 O GLU A 18 10.178 6.580 3.072 1.00 0.00 O ATOM 230 CB GLU A 18 10.855 9.072 1.337 1.00 0.00 C ATOM 231 CG GLU A 18 11.320 10.450 0.899 1.00 0.00 C ATOM 232 CD GLU A 18 10.317 11.538 1.231 1.00 0.00 C ATOM 233 OE1 GLU A 18 10.154 11.848 2.430 1.00 0.00 O ATOM 234 OE2 GLU A 18 9.694 12.078 0.293 1.00 0.00 O ATOM 0 H GLU A 18 12.551 7.299 2.962 1.00 0.00 H new ATOM 0 HA GLU A 18 10.958 9.719 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.378 8.317 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.793 8.969 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.271 10.678 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.501 10.444 -0.176 1.00 0.00 H new ATOM 241 N HIS A 19 9.051 8.270 4.041 1.00 0.00 N ATOM 242 CA HIS A 19 8.005 7.408 4.579 1.00 0.00 C ATOM 243 C HIS A 19 6.708 7.572 3.792 1.00 0.00 C ATOM 244 O HIS A 19 6.460 8.620 3.194 1.00 0.00 O ATOM 245 CB HIS A 19 7.762 7.726 6.055 1.00 0.00 C ATOM 246 CG HIS A 19 9.012 7.732 6.880 1.00 0.00 C ATOM 247 ND1 HIS A 19 10.155 8.409 6.509 1.00 0.00 N ATOM 248 CD2 HIS A 19 9.295 7.139 8.063 1.00 0.00 C ATOM 249 CE1 HIS A 19 11.087 8.231 7.428 1.00 0.00 C ATOM 250 NE2 HIS A 19 10.590 7.465 8.383 1.00 0.00 N ATOM 0 H HIS A 19 8.937 9.259 4.261 1.00 0.00 H new ATOM 0 HA HIS A 19 8.338 6.374 4.487 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.280 8.700 6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.068 6.993 6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.627 6.524 8.647 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.086 8.642 7.403 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.087 7.165 9.221 1.00 0.00 H new ATOM 259 N LEU A 20 5.885 6.529 3.794 1.00 0.00 N ATOM 260 CA LEU A 20 4.613 6.557 3.080 1.00 0.00 C ATOM 261 C LEU A 20 3.519 7.181 3.939 1.00 0.00 C ATOM 262 O LEU A 20 2.651 7.893 3.436 1.00 0.00 O ATOM 263 CB LEU A 20 4.207 5.141 2.666 1.00 0.00 C ATOM 264 CG LEU A 20 4.970 4.542 1.484 1.00 0.00 C ATOM 265 CD1 LEU A 20 4.801 5.410 0.246 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.443 4.380 1.826 1.00 0.00 C ATOM 0 H LEU A 20 6.076 5.654 4.282 1.00 0.00 H new ATOM 0 HA LEU A 20 4.740 7.168 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.333 4.483 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.145 5.146 2.422 1.00 0.00 H new ATOM 0 HG LEU A 20 4.557 3.556 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.351 4.969 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.744 5.475 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.187 6.409 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.970 3.952 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.870 5.354 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.546 3.717 2.685 1.00 0.00 H new ATOM 278 N GLY A 21 3.568 6.910 5.240 1.00 0.00 N ATOM 279 CA GLY A 21 2.577 7.455 6.149 1.00 0.00 C ATOM 280 C GLY A 21 1.300 6.638 6.172 1.00 0.00 C ATOM 281 O GLY A 21 0.203 7.182 6.043 1.00 0.00 O ATOM 0 H GLY A 21 4.276 6.323 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.995 7.498 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.344 8.479 5.857 1.00 0.00 H new ATOM 285 N VAL A 22 1.442 5.326 6.335 1.00 0.00 N ATOM 286 CA VAL A 22 0.291 4.432 6.374 1.00 0.00 C ATOM 287 C VAL A 22 0.413 3.428 7.515 1.00 0.00 C ATOM 288 O VAL A 22 1.412 3.407 8.235 1.00 0.00 O ATOM 289 CB VAL A 22 0.129 3.667 5.047 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.073 4.638 3.893 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.334 2.773 4.797 1.00 0.00 C ATOM 0 H VAL A 22 2.343 4.859 6.442 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.588 5.056 6.535 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.756 3.034 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.186 4.080 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.969 5.232 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.791 5.298 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.203 2.240 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.236 3.383 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.429 2.054 5.611 1.00 0.00 H new ATOM 301 N THR A 23 -0.610 2.594 7.674 1.00 0.00 N ATOM 302 CA THR A 23 -0.618 1.587 8.728 1.00 0.00 C ATOM 303 C THR A 23 -1.253 0.289 8.243 1.00 0.00 C ATOM 304 O THR A 23 -2.431 0.259 7.883 1.00 0.00 O ATOM 305 CB THR A 23 -1.376 2.083 9.973 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.648 2.617 9.592 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.574 3.146 10.708 1.00 0.00 C ATOM 0 H THR A 23 -1.444 2.596 7.086 1.00 0.00 H new ATOM 0 HA THR A 23 0.422 1.401 8.996 1.00 0.00 H new ATOM 0 HB THR A 23 -1.524 1.235 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.702 3.558 9.861 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.130 3.481 11.584 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.382 2.727 11.023 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.398 3.993 10.044 1.00 0.00 H new ATOM 315 N PHE A 24 -0.468 -0.783 8.236 1.00 0.00 N ATOM 316 CA PHE A 24 -0.955 -2.085 7.794 1.00 0.00 C ATOM 317 C PHE A 24 -1.359 -2.947 8.987 1.00 0.00 C ATOM 318 O PHE A 24 -0.809 -2.811 10.079 1.00 0.00 O ATOM 319 CB PHE A 24 0.118 -2.802 6.972 1.00 0.00 C ATOM 320 CG PHE A 24 0.644 -1.983 5.828 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.662 -1.065 6.027 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.120 -2.131 4.554 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.148 -0.310 4.976 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.602 -1.380 3.500 1.00 0.00 C ATOM 325 CZ PHE A 24 1.617 -0.467 3.711 1.00 0.00 C ATOM 0 H PHE A 24 0.508 -0.776 8.531 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.834 -1.924 7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.947 -3.071 7.627 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.295 -3.732 6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.081 -0.938 7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.675 -2.842 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.942 0.402 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.186 -1.506 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.994 0.123 2.889 1.00 0.00 H new ATOM 335 N ARG A 25 -2.325 -3.833 8.768 1.00 0.00 N ATOM 336 CA ARG A 25 -2.805 -4.717 9.824 1.00 0.00 C ATOM 337 C ARG A 25 -2.556 -6.179 9.464 1.00 0.00 C ATOM 338 O ARG A 25 -2.942 -6.639 8.389 1.00 0.00 O ATOM 339 CB ARG A 25 -4.297 -4.487 10.071 1.00 0.00 C ATOM 340 CG ARG A 25 -5.173 -4.847 8.882 1.00 0.00 C ATOM 341 CD ARG A 25 -6.649 -4.666 9.203 1.00 0.00 C ATOM 342 NE ARG A 25 -7.120 -3.323 8.877 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.168 -2.750 9.459 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.851 -3.401 10.390 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.535 -1.524 9.108 1.00 0.00 N ATOM 0 H ARG A 25 -2.791 -3.958 7.869 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.253 -4.487 10.736 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.609 -5.076 10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.457 -3.439 10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.906 -4.223 8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.987 -5.881 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.233 -5.400 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.816 -4.861 10.262 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.617 -2.796 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.572 -4.344 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.655 -2.959 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.012 -1.021 8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.340 -1.085 9.555 1.00 0.00 H new ATOM 359 N VAL A 26 -1.909 -6.904 10.371 1.00 0.00 N ATOM 360 CA VAL A 26 -1.610 -8.314 10.150 1.00 0.00 C ATOM 361 C VAL A 26 -2.769 -9.198 10.596 1.00 0.00 C ATOM 362 O VAL A 26 -2.975 -9.411 11.790 1.00 0.00 O ATOM 363 CB VAL A 26 -0.334 -8.741 10.899 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.353 -8.217 12.327 1.00 0.00 C ATOM 365 CG2 VAL A 26 -0.187 -10.255 10.880 1.00 0.00 C ATOM 0 H VAL A 26 -1.582 -6.538 11.265 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.453 -8.440 9.079 1.00 0.00 H new ATOM 0 HB VAL A 26 0.527 -8.309 10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.556 -8.528 12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.408 -7.128 12.314 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.221 -8.618 12.850 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.720 -10.539 11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.051 -10.711 11.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.125 -10.602 9.848 1.00 0.00 H new ATOM 375 N GLU A 27 -3.521 -9.712 9.628 1.00 0.00 N ATOM 376 CA GLU A 27 -4.660 -10.573 9.922 1.00 0.00 C ATOM 377 C GLU A 27 -4.445 -11.973 9.352 1.00 0.00 C ATOM 378 O GLU A 27 -4.884 -12.278 8.244 1.00 0.00 O ATOM 379 CB GLU A 27 -5.945 -9.970 9.351 1.00 0.00 C ATOM 380 CG GLU A 27 -6.275 -8.598 9.913 1.00 0.00 C ATOM 381 CD GLU A 27 -7.765 -8.313 9.920 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.421 -8.555 8.886 1.00 0.00 O ATOM 383 OE2 GLU A 27 -8.274 -7.847 10.962 1.00 0.00 O ATOM 0 H GLU A 27 -3.362 -9.547 8.634 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.754 -10.650 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.852 -9.897 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.775 -10.646 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.890 -8.524 10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.766 -7.836 9.323 1.00 0.00 H new ATOM 390 N GLY A 28 -3.765 -12.820 10.119 1.00 0.00 N ATOM 391 CA GLY A 28 -3.503 -14.176 9.674 1.00 0.00 C ATOM 392 C GLY A 28 -2.103 -14.343 9.117 1.00 0.00 C ATOM 393 O GLY A 28 -1.148 -14.540 9.868 1.00 0.00 O ATOM 0 H GLY A 28 -3.391 -12.591 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.643 -14.863 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.230 -14.451 8.910 1.00 0.00 H new ATOM 397 N GLY A 29 -1.980 -14.266 7.796 1.00 0.00 N ATOM 398 CA GLY A 29 -0.683 -14.414 7.161 1.00 0.00 C ATOM 399 C GLY A 29 -0.490 -13.452 6.006 1.00 0.00 C ATOM 400 O GLY A 29 0.211 -13.763 5.043 1.00 0.00 O ATOM 0 H GLY A 29 -2.755 -14.104 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.101 -14.251 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.573 -15.437 6.800 1.00 0.00 H new ATOM 404 N GLU A 30 -1.114 -12.282 6.100 1.00 0.00 N ATOM 405 CA GLU A 30 -1.008 -11.274 5.052 1.00 0.00 C ATOM 406 C GLU A 30 -1.141 -9.869 5.633 1.00 0.00 C ATOM 407 O GLU A 30 -1.722 -9.680 6.703 1.00 0.00 O ATOM 408 CB GLU A 30 -2.082 -11.500 3.986 1.00 0.00 C ATOM 409 CG GLU A 30 -3.499 -11.474 4.534 1.00 0.00 C ATOM 410 CD GLU A 30 -4.545 -11.682 3.456 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.178 -11.665 2.263 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.731 -11.860 3.806 1.00 0.00 O ATOM 0 H GLU A 30 -1.698 -12.009 6.891 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.024 -11.367 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.985 -10.734 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.906 -12.461 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.605 -12.249 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.676 -10.518 5.028 1.00 0.00 H new ATOM 419 N LEU A 31 -0.598 -8.888 4.922 1.00 0.00 N ATOM 420 CA LEU A 31 -0.655 -7.499 5.366 1.00 0.00 C ATOM 421 C LEU A 31 -1.630 -6.694 4.514 1.00 0.00 C ATOM 422 O LEU A 31 -1.728 -6.898 3.303 1.00 0.00 O ATOM 423 CB LEU A 31 0.736 -6.866 5.305 1.00 0.00 C ATOM 424 CG LEU A 31 1.601 -7.023 6.556 1.00 0.00 C ATOM 425 CD1 LEU A 31 2.987 -6.443 6.323 1.00 0.00 C ATOM 426 CD2 LEU A 31 0.936 -6.357 7.751 1.00 0.00 C ATOM 0 H LEU A 31 -0.113 -9.028 4.036 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.008 -7.488 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.273 -7.298 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.620 -5.802 5.099 1.00 0.00 H new ATOM 0 HG LEU A 31 1.706 -8.087 6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.588 -6.564 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.466 -6.966 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.902 -5.383 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.566 -6.479 8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.800 -5.295 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.034 -6.819 7.932 1.00 0.00 H new ATOM 438 N VAL A 32 -2.349 -5.777 5.153 1.00 0.00 N ATOM 439 CA VAL A 32 -3.315 -4.938 4.453 1.00 0.00 C ATOM 440 C VAL A 32 -3.336 -3.526 5.028 1.00 0.00 C ATOM 441 O VAL A 32 -3.269 -3.340 6.244 1.00 0.00 O ATOM 442 CB VAL A 32 -4.734 -5.532 4.529 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.191 -5.640 5.976 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.707 -4.693 3.715 1.00 0.00 C ATOM 0 H VAL A 32 -2.281 -5.596 6.154 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.001 -4.898 3.410 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.712 -6.536 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.196 -6.062 6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.507 -6.287 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.198 -4.649 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.705 -5.127 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.728 -3.676 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.387 -4.673 2.673 1.00 0.00 H new ATOM 454 N ILE A 33 -3.429 -2.536 4.148 1.00 0.00 N ATOM 455 CA ILE A 33 -3.460 -1.141 4.569 1.00 0.00 C ATOM 456 C ILE A 33 -4.689 -0.851 5.423 1.00 0.00 C ATOM 457 O ILE A 33 -5.798 -0.716 4.907 1.00 0.00 O ATOM 458 CB ILE A 33 -3.453 -0.187 3.359 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.154 -0.343 2.566 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.631 1.252 3.818 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.193 0.317 1.206 1.00 0.00 C ATOM 0 H ILE A 33 -3.484 -2.674 3.139 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.561 -0.971 5.161 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.287 -0.445 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.332 0.081 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.940 -1.404 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.624 1.914 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.581 1.352 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.816 1.523 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.239 0.166 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.993 -0.124 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.375 1.385 1.325 1.00 0.00 H new ATOM 473 N ALA A 34 -4.484 -0.756 6.732 1.00 0.00 N ATOM 474 CA ALA A 34 -5.575 -0.479 7.658 1.00 0.00 C ATOM 475 C ALA A 34 -6.018 0.977 7.564 1.00 0.00 C ATOM 476 O ALA A 34 -7.213 1.270 7.511 1.00 0.00 O ATOM 477 CB ALA A 34 -5.157 -0.814 9.082 1.00 0.00 C ATOM 0 H ALA A 34 -3.572 -0.867 7.176 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.421 -1.108 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.982 -0.602 9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.896 -1.870 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.293 -0.210 9.359 1.00 0.00 H new ATOM 483 N ARG A 35 -5.049 1.886 7.546 1.00 0.00 N ATOM 484 CA ARG A 35 -5.340 3.312 7.460 1.00 0.00 C ATOM 485 C ARG A 35 -4.236 4.048 6.706 1.00 0.00 C ATOM 486 O ARG A 35 -3.083 3.617 6.698 1.00 0.00 O ATOM 487 CB ARG A 35 -5.499 3.907 8.861 1.00 0.00 C ATOM 488 CG ARG A 35 -5.269 5.408 8.915 1.00 0.00 C ATOM 489 CD ARG A 35 -5.707 5.991 10.249 1.00 0.00 C ATOM 490 NE ARG A 35 -7.157 5.941 10.419 1.00 0.00 N ATOM 491 CZ ARG A 35 -7.761 5.988 11.601 1.00 0.00 C ATOM 492 NH1 ARG A 35 -7.043 6.087 12.712 1.00 0.00 N ATOM 493 NH2 ARG A 35 -9.084 5.937 11.674 1.00 0.00 N ATOM 0 H ARG A 35 -4.055 1.660 7.590 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.274 3.434 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.502 3.688 9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.798 3.416 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.212 5.621 8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.819 5.891 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.228 5.442 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.369 7.025 10.321 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.738 5.866 9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.025 6.127 12.660 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.509 6.123 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.639 5.862 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.546 5.973 12.582 1.00 0.00 H new ATOM 507 N ILE A 36 -4.598 5.159 6.074 1.00 0.00 N ATOM 508 CA ILE A 36 -3.639 5.955 5.318 1.00 0.00 C ATOM 509 C ILE A 36 -3.742 7.432 5.682 1.00 0.00 C ATOM 510 O ILE A 36 -4.834 8.001 5.712 1.00 0.00 O ATOM 511 CB ILE A 36 -3.847 5.795 3.800 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.695 4.328 3.394 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.863 6.668 3.036 1.00 0.00 C ATOM 514 CD1 ILE A 36 -3.651 4.117 1.897 1.00 0.00 C ATOM 0 H ILE A 36 -5.549 5.529 6.070 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.647 5.587 5.581 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.858 6.118 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.782 3.930 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.525 3.757 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.022 6.544 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.017 7.712 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.844 6.374 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.542 3.054 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.575 4.484 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.804 4.660 1.478 1.00 0.00 H new ATOM 526 N LEU A 37 -2.598 8.049 5.956 1.00 0.00 N ATOM 527 CA LEU A 37 -2.558 9.462 6.316 1.00 0.00 C ATOM 528 C LEU A 37 -2.759 10.343 5.087 1.00 0.00 C ATOM 529 O LEU A 37 -1.944 10.334 4.164 1.00 0.00 O ATOM 530 CB LEU A 37 -1.226 9.800 6.987 1.00 0.00 C ATOM 531 CG LEU A 37 -1.136 9.508 8.485 1.00 0.00 C ATOM 532 CD1 LEU A 37 -1.469 8.051 8.766 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.249 9.852 9.014 1.00 0.00 C ATOM 0 H LEU A 37 -1.686 7.593 5.936 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.370 9.656 7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.436 9.245 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.022 10.859 6.831 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.865 10.132 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.400 7.862 9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.482 7.837 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.765 7.408 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.294 9.638 10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.997 9.255 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.449 10.910 8.848 1.00 0.00 H new ATOM 545 N HIS A 38 -3.849 11.104 5.083 1.00 0.00 N ATOM 546 CA HIS A 38 -4.156 11.994 3.968 1.00 0.00 C ATOM 547 C HIS A 38 -2.879 12.583 3.376 1.00 0.00 C ATOM 548 O HIS A 38 -2.791 12.815 2.171 1.00 0.00 O ATOM 549 CB HIS A 38 -5.086 13.117 4.426 1.00 0.00 C ATOM 550 CG HIS A 38 -6.534 12.736 4.420 1.00 0.00 C ATOM 551 ND1 HIS A 38 -7.307 12.732 3.278 1.00 0.00 N ATOM 552 CD2 HIS A 38 -7.351 12.343 5.426 1.00 0.00 C ATOM 553 CE1 HIS A 38 -8.536 12.354 3.581 1.00 0.00 C ATOM 554 NE2 HIS A 38 -8.589 12.112 4.879 1.00 0.00 N ATOM 0 H HIS A 38 -4.534 11.122 5.839 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.657 11.410 3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.804 13.423 5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.944 13.982 3.778 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.079 12.232 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.357 12.259 2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.415 11.804 5.391 1.00 0.00 H new ATOM 563 N GLY A 39 -1.892 12.825 4.233 1.00 0.00 N ATOM 564 CA GLY A 39 -0.634 13.386 3.776 1.00 0.00 C ATOM 565 C GLY A 39 0.453 12.339 3.641 1.00 0.00 C ATOM 566 O GLY A 39 0.900 11.765 4.633 1.00 0.00 O ATOM 0 H GLY A 39 -1.941 12.643 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.786 13.874 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.308 14.156 4.475 1.00 0.00 H new ATOM 570 N GLY A 40 0.880 12.087 2.407 1.00 0.00 N ATOM 571 CA GLY A 40 1.916 11.100 2.167 1.00 0.00 C ATOM 572 C GLY A 40 2.004 10.693 0.709 1.00 0.00 C ATOM 573 O GLY A 40 1.174 11.096 -0.105 1.00 0.00 O ATOM 0 H GLY A 40 0.526 12.549 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.877 11.502 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.721 10.217 2.776 1.00 0.00 H new ATOM 577 N MET A 41 3.013 9.894 0.379 1.00 0.00 N ATOM 578 CA MET A 41 3.206 9.433 -0.991 1.00 0.00 C ATOM 579 C MET A 41 1.942 8.764 -1.522 1.00 0.00 C ATOM 580 O MET A 41 1.232 9.327 -2.355 1.00 0.00 O ATOM 581 CB MET A 41 4.383 8.458 -1.063 1.00 0.00 C ATOM 582 CG MET A 41 4.522 7.773 -2.413 1.00 0.00 C ATOM 583 SD MET A 41 5.468 8.753 -3.594 1.00 0.00 S ATOM 584 CE MET A 41 6.941 9.107 -2.638 1.00 0.00 C ATOM 0 H MET A 41 3.710 9.552 1.041 1.00 0.00 H new ATOM 0 HA MET A 41 3.425 10.301 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.304 8.996 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.263 7.699 -0.290 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.007 6.806 -2.277 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.530 7.577 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.797 9.192 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.808 10.045 -2.098 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.115 8.300 -1.926 1.00 0.00 H new ATOM 594 N VAL A 42 1.667 7.558 -1.035 1.00 0.00 N ATOM 595 CA VAL A 42 0.489 6.812 -1.460 1.00 0.00 C ATOM 596 C VAL A 42 -0.727 7.725 -1.577 1.00 0.00 C ATOM 597 O VAL A 42 -1.629 7.474 -2.375 1.00 0.00 O ATOM 598 CB VAL A 42 0.166 5.667 -0.482 1.00 0.00 C ATOM 599 CG1 VAL A 42 0.367 6.121 0.956 1.00 0.00 C ATOM 600 CG2 VAL A 42 -1.255 5.167 -0.698 1.00 0.00 C ATOM 0 H VAL A 42 2.245 7.077 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 42 0.718 6.390 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 42 0.851 4.842 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.134 5.299 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.403 6.427 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.292 6.963 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.466 4.358 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.957 5.984 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.361 4.801 -1.719 1.00 0.00 H new ATOM 610 N ALA A 43 -0.743 8.785 -0.776 1.00 0.00 N ATOM 611 CA ALA A 43 -1.846 9.737 -0.790 1.00 0.00 C ATOM 612 C ALA A 43 -1.846 10.558 -2.076 1.00 0.00 C ATOM 613 O ALA A 43 -2.808 10.526 -2.843 1.00 0.00 O ATOM 614 CB ALA A 43 -1.770 10.652 0.422 1.00 0.00 C ATOM 0 H ALA A 43 -0.004 9.006 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.779 9.175 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.600 11.358 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.827 10.055 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.828 11.200 0.406 1.00 0.00 H new ATOM 620 N GLN A 44 -0.761 11.292 -2.303 1.00 0.00 N ATOM 621 CA GLN A 44 -0.638 12.122 -3.496 1.00 0.00 C ATOM 622 C GLN A 44 -1.021 11.338 -4.747 1.00 0.00 C ATOM 623 O GLN A 44 -1.356 11.922 -5.777 1.00 0.00 O ATOM 624 CB GLN A 44 0.791 12.652 -3.628 1.00 0.00 C ATOM 625 CG GLN A 44 1.831 11.558 -3.808 1.00 0.00 C ATOM 626 CD GLN A 44 3.022 12.014 -4.627 1.00 0.00 C ATOM 627 OE1 GLN A 44 2.955 12.086 -5.854 1.00 0.00 O ATOM 628 NE2 GLN A 44 4.122 12.325 -3.950 1.00 0.00 N ATOM 0 H GLN A 44 0.044 11.329 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.322 12.964 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.840 13.332 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.038 13.234 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.175 11.224 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.369 10.699 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.133 12.251 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.956 12.638 -4.447 1.00 0.00 H new ATOM 637 N GLN A 45 -0.967 10.014 -4.649 1.00 0.00 N ATOM 638 CA GLN A 45 -1.307 9.151 -5.773 1.00 0.00 C ATOM 639 C GLN A 45 -2.777 8.747 -5.725 1.00 0.00 C ATOM 640 O GLN A 45 -3.526 8.974 -6.674 1.00 0.00 O ATOM 641 CB GLN A 45 -0.423 7.903 -5.772 1.00 0.00 C ATOM 642 CG GLN A 45 0.925 8.111 -6.444 1.00 0.00 C ATOM 643 CD GLN A 45 1.931 7.037 -6.080 1.00 0.00 C ATOM 644 OE1 GLN A 45 2.305 6.983 -4.807 1.00 0.00 O flip ATOM 645 NE2 GLN A 45 2.368 6.265 -6.934 1.00 0.00 N flip ATOM 0 H GLN A 45 -0.691 9.516 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.133 9.710 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.261 7.584 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.950 7.094 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.789 8.125 -7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.321 9.086 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.053 6.343 -7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.045 5.548 -6.674 1.00 0.00 H new ATOM 654 N GLY A 46 -3.184 8.145 -4.611 1.00 0.00 N ATOM 655 CA GLY A 46 -4.563 7.718 -4.459 1.00 0.00 C ATOM 656 C GLY A 46 -4.775 6.281 -4.891 1.00 0.00 C ATOM 657 O GLY A 46 -5.665 5.597 -4.383 1.00 0.00 O ATOM 0 H GLY A 46 -2.583 7.945 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.862 7.829 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.209 8.370 -5.047 1.00 0.00 H new ATOM 661 N LEU A 47 -3.959 5.821 -5.833 1.00 0.00 N ATOM 662 CA LEU A 47 -4.063 4.455 -6.336 1.00 0.00 C ATOM 663 C LEU A 47 -4.369 3.480 -5.203 1.00 0.00 C ATOM 664 O LEU A 47 -5.407 2.818 -5.203 1.00 0.00 O ATOM 665 CB LEU A 47 -2.766 4.049 -7.037 1.00 0.00 C ATOM 666 CG LEU A 47 -2.289 4.977 -8.155 1.00 0.00 C ATOM 667 CD1 LEU A 47 -0.887 4.594 -8.605 1.00 0.00 C ATOM 668 CD2 LEU A 47 -3.256 4.940 -9.329 1.00 0.00 C ATOM 0 H LEU A 47 -3.218 6.374 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.883 4.419 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.977 3.980 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.898 3.050 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.259 5.995 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.564 5.265 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.200 4.673 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.891 3.569 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.900 5.606 -10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.319 3.923 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.243 5.264 -8.998 1.00 0.00 H new ATOM 680 N LEU A 48 -3.459 3.398 -4.238 1.00 0.00 N ATOM 681 CA LEU A 48 -3.632 2.506 -3.098 1.00 0.00 C ATOM 682 C LEU A 48 -4.663 3.063 -2.121 1.00 0.00 C ATOM 683 O LEU A 48 -4.857 4.276 -2.033 1.00 0.00 O ATOM 684 CB LEU A 48 -2.296 2.296 -2.382 1.00 0.00 C ATOM 685 CG LEU A 48 -1.075 2.105 -3.282 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.188 2.569 -2.574 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.948 0.649 -3.706 1.00 0.00 C ATOM 0 H LEU A 48 -2.594 3.939 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.993 1.547 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.115 3.154 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.386 1.423 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.208 2.713 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.047 2.425 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.097 3.626 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.328 1.989 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.074 0.531 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.838 0.021 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.842 0.350 -4.254 1.00 0.00 H new ATOM 699 N HIS A 49 -5.320 2.170 -1.388 1.00 0.00 N ATOM 700 CA HIS A 49 -6.329 2.573 -0.416 1.00 0.00 C ATOM 701 C HIS A 49 -6.525 1.492 0.643 1.00 0.00 C ATOM 702 O HIS A 49 -5.935 0.415 0.563 1.00 0.00 O ATOM 703 CB HIS A 49 -7.657 2.863 -1.117 1.00 0.00 C ATOM 704 CG HIS A 49 -8.457 1.633 -1.416 1.00 0.00 C ATOM 705 ND1 HIS A 49 -9.370 1.096 -0.533 1.00 0.00 N ATOM 706 CD2 HIS A 49 -8.480 0.835 -2.509 1.00 0.00 C ATOM 707 CE1 HIS A 49 -9.918 0.019 -1.069 1.00 0.00 C ATOM 708 NE2 HIS A 49 -9.395 -0.160 -2.268 1.00 0.00 N ATOM 0 H HIS A 49 -5.172 1.163 -1.449 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.981 3.481 0.076 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.251 3.530 -0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.459 3.393 -2.049 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -9.588 1.471 0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.889 0.958 -3.404 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.666 -0.607 -0.605 1.00 0.00 H new ATOM 717 N VAL A 50 -7.358 1.788 1.637 1.00 0.00 N ATOM 718 CA VAL A 50 -7.632 0.842 2.712 1.00 0.00 C ATOM 719 C VAL A 50 -8.228 -0.452 2.167 1.00 0.00 C ATOM 720 O VAL A 50 -9.331 -0.458 1.623 1.00 0.00 O ATOM 721 CB VAL A 50 -8.596 1.440 3.753 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.898 0.425 4.846 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.016 2.716 4.345 1.00 0.00 C ATOM 0 H VAL A 50 -7.854 2.675 1.719 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.679 0.625 3.193 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.532 1.691 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.581 0.865 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.358 -0.459 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.971 0.141 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.710 3.125 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.066 2.493 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.856 3.445 3.551 1.00 0.00 H new ATOM 733 N GLY A 51 -7.489 -1.547 2.318 1.00 0.00 N ATOM 734 CA GLY A 51 -7.961 -2.832 1.836 1.00 0.00 C ATOM 735 C GLY A 51 -7.076 -3.404 0.747 1.00 0.00 C ATOM 736 O GLY A 51 -7.520 -4.225 -0.056 1.00 0.00 O ATOM 0 H GLY A 51 -6.572 -1.567 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.007 -3.534 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.976 -2.723 1.455 1.00 0.00 H new ATOM 740 N ASP A 52 -5.821 -2.968 0.717 1.00 0.00 N ATOM 741 CA ASP A 52 -4.871 -3.442 -0.282 1.00 0.00 C ATOM 742 C ASP A 52 -3.869 -4.411 0.336 1.00 0.00 C ATOM 743 O ASP A 52 -3.100 -4.041 1.225 1.00 0.00 O ATOM 744 CB ASP A 52 -4.133 -2.261 -0.915 1.00 0.00 C ATOM 745 CG ASP A 52 -4.954 -1.574 -1.989 1.00 0.00 C ATOM 746 OD1 ASP A 52 -4.878 -2.003 -3.160 1.00 0.00 O ATOM 747 OD2 ASP A 52 -5.672 -0.607 -1.659 1.00 0.00 O ATOM 0 H ASP A 52 -5.438 -2.287 1.373 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.429 -3.970 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.877 -1.539 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.195 -2.611 -1.347 1.00 0.00 H new ATOM 752 N ILE A 53 -3.883 -5.652 -0.138 1.00 0.00 N ATOM 753 CA ILE A 53 -2.976 -6.674 0.369 1.00 0.00 C ATOM 754 C ILE A 53 -1.663 -6.678 -0.408 1.00 0.00 C ATOM 755 O ILE A 53 -1.656 -6.558 -1.633 1.00 0.00 O ATOM 756 CB ILE A 53 -3.608 -8.076 0.294 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.958 -8.090 1.014 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.671 -9.113 0.895 1.00 0.00 C ATOM 759 CD1 ILE A 53 -6.117 -7.676 0.134 1.00 0.00 C ATOM 0 H ILE A 53 -4.513 -5.974 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.778 -6.430 1.413 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.773 -8.328 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.145 -9.092 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.909 -7.422 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.132 -10.099 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.731 -9.118 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.477 -8.867 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.042 -7.709 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.953 -6.662 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.193 -8.358 -0.713 1.00 0.00 H new ATOM 771 N ILE A 54 -0.556 -6.818 0.313 1.00 0.00 N ATOM 772 CA ILE A 54 0.762 -6.841 -0.309 1.00 0.00 C ATOM 773 C ILE A 54 1.318 -8.260 -0.367 1.00 0.00 C ATOM 774 O ILE A 54 1.317 -8.981 0.631 1.00 0.00 O ATOM 775 CB ILE A 54 1.758 -5.943 0.448 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.165 -4.547 0.653 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.075 -5.858 -0.308 1.00 0.00 C ATOM 778 CD1 ILE A 54 0.342 -4.420 1.916 1.00 0.00 C ATOM 0 H ILE A 54 -0.545 -6.917 1.328 1.00 0.00 H new ATOM 0 HA ILE A 54 0.639 -6.459 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 54 1.951 -6.383 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.975 -3.818 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.541 -4.297 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.768 -5.220 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.502 -6.856 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.900 -5.437 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.047 -3.405 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.489 -5.125 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.968 -4.639 2.781 1.00 0.00 H new ATOM 790 N LYS A 55 1.794 -8.655 -1.543 1.00 0.00 N ATOM 791 CA LYS A 55 2.357 -9.987 -1.733 1.00 0.00 C ATOM 792 C LYS A 55 3.870 -9.971 -1.542 1.00 0.00 C ATOM 793 O LYS A 55 4.394 -10.582 -0.612 1.00 0.00 O ATOM 794 CB LYS A 55 2.014 -10.514 -3.128 1.00 0.00 C ATOM 795 CG LYS A 55 2.718 -11.814 -3.477 1.00 0.00 C ATOM 796 CD LYS A 55 1.898 -13.023 -3.059 1.00 0.00 C ATOM 797 CE LYS A 55 0.891 -13.412 -4.131 1.00 0.00 C ATOM 798 NZ LYS A 55 -0.120 -14.377 -3.618 1.00 0.00 N ATOM 0 H LYS A 55 1.801 -8.071 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 55 1.921 -10.648 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.937 -10.665 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.277 -9.758 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.902 -11.852 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.690 -11.845 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.563 -13.864 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.374 -12.804 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.387 -12.518 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.415 -13.852 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.788 -14.617 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.359 -15.241 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.638 -13.948 -2.825 1.00 0.00 H new ATOM 812 N GLU A 56 4.566 -9.266 -2.429 1.00 0.00 N ATOM 813 CA GLU A 56 6.019 -9.170 -2.356 1.00 0.00 C ATOM 814 C GLU A 56 6.488 -7.755 -2.681 1.00 0.00 C ATOM 815 O GLU A 56 5.720 -6.934 -3.182 1.00 0.00 O ATOM 816 CB GLU A 56 6.667 -10.167 -3.319 1.00 0.00 C ATOM 817 CG GLU A 56 8.069 -10.587 -2.909 1.00 0.00 C ATOM 818 CD GLU A 56 8.493 -11.898 -3.540 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.733 -11.917 -4.766 1.00 0.00 O ATOM 820 OE2 GLU A 56 8.586 -12.906 -2.808 1.00 0.00 O ATOM 0 H GLU A 56 4.147 -8.754 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 56 6.322 -9.410 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.037 -11.054 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.706 -9.725 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.775 -9.807 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.114 -10.679 -1.824 1.00 0.00 H new ATOM 827 N VAL A 57 7.755 -7.476 -2.391 1.00 0.00 N ATOM 828 CA VAL A 57 8.328 -6.161 -2.652 1.00 0.00 C ATOM 829 C VAL A 57 9.775 -6.274 -3.119 1.00 0.00 C ATOM 830 O VAL A 57 10.624 -6.817 -2.414 1.00 0.00 O ATOM 831 CB VAL A 57 8.274 -5.266 -1.399 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.964 -3.936 -1.662 1.00 0.00 C ATOM 833 CG2 VAL A 57 6.833 -5.051 -0.960 1.00 0.00 C ATOM 0 H VAL A 57 8.404 -8.144 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 57 7.729 -5.706 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 57 8.805 -5.769 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.916 -3.318 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.007 -4.113 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.465 -3.423 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.813 -4.417 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.276 -4.569 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.376 -6.013 -0.728 1.00 0.00 H new ATOM 843 N ASN A 58 10.047 -5.758 -4.313 1.00 0.00 N ATOM 844 CA ASN A 58 11.392 -5.801 -4.876 1.00 0.00 C ATOM 845 C ASN A 58 11.985 -7.202 -4.761 1.00 0.00 C ATOM 846 O ASN A 58 13.198 -7.367 -4.646 1.00 0.00 O ATOM 847 CB ASN A 58 12.297 -4.792 -4.166 1.00 0.00 C ATOM 848 CG ASN A 58 12.225 -3.412 -4.790 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.033 -2.396 -3.957 1.00 0.00 O flip ATOM 850 ND2 ASN A 58 12.340 -3.262 -6.006 1.00 0.00 N flip ATOM 0 H ASN A 58 9.354 -5.305 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 58 11.326 -5.539 -5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.012 -4.728 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.327 -5.148 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.486 -4.072 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.289 -2.328 -6.412 1.00 0.00 H new ATOM 857 N GLY A 59 11.118 -8.210 -4.793 1.00 0.00 N ATOM 858 CA GLY A 59 11.574 -9.584 -4.692 1.00 0.00 C ATOM 859 C GLY A 59 11.941 -9.970 -3.273 1.00 0.00 C ATOM 860 O GLY A 59 12.880 -10.735 -3.055 1.00 0.00 O ATOM 0 H GLY A 59 10.108 -8.099 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.792 -10.251 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.440 -9.725 -5.339 1.00 0.00 H new ATOM 864 N GLN A 60 11.200 -9.439 -2.306 1.00 0.00 N ATOM 865 CA GLN A 60 11.455 -9.731 -0.901 1.00 0.00 C ATOM 866 C GLN A 60 10.148 -9.871 -0.128 1.00 0.00 C ATOM 867 O GLN A 60 9.166 -9.177 -0.390 1.00 0.00 O ATOM 868 CB GLN A 60 12.314 -8.629 -0.277 1.00 0.00 C ATOM 869 CG GLN A 60 13.798 -8.775 -0.572 1.00 0.00 C ATOM 870 CD GLN A 60 14.566 -7.487 -0.350 1.00 0.00 C ATOM 871 OE1 GLN A 60 13.983 -6.403 -0.299 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.883 -7.598 -0.216 1.00 0.00 N ATOM 0 H GLN A 60 10.418 -8.804 -2.470 1.00 0.00 H new ATOM 0 HA GLN A 60 11.993 -10.678 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.972 -7.661 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.165 -8.631 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.216 -9.557 0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.929 -9.099 -1.605 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.325 -8.516 -0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.452 -6.765 -0.064 1.00 0.00 H new ATOM 881 N PRO A 61 10.132 -10.792 0.847 1.00 0.00 N ATOM 882 CA PRO A 61 8.951 -11.045 1.678 1.00 0.00 C ATOM 883 C PRO A 61 8.653 -9.891 2.629 1.00 0.00 C ATOM 884 O PRO A 61 9.533 -9.426 3.353 1.00 0.00 O ATOM 885 CB PRO A 61 9.334 -12.301 2.466 1.00 0.00 C ATOM 886 CG PRO A 61 10.823 -12.281 2.508 1.00 0.00 C ATOM 887 CD PRO A 61 11.267 -11.656 1.215 1.00 0.00 C ATOM 0 HA PRO A 61 8.048 -11.160 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.909 -12.284 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.964 -13.203 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.181 -11.706 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.224 -13.289 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.185 -11.082 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.463 -12.409 0.451 1.00 0.00 H new ATOM 895 N VAL A 62 7.405 -9.431 2.621 1.00 0.00 N ATOM 896 CA VAL A 62 6.990 -8.332 3.484 1.00 0.00 C ATOM 897 C VAL A 62 6.762 -8.811 4.913 1.00 0.00 C ATOM 898 O VAL A 62 6.566 -8.008 5.824 1.00 0.00 O ATOM 899 CB VAL A 62 5.702 -7.666 2.965 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.923 -7.085 1.576 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.553 -8.664 2.958 1.00 0.00 C ATOM 0 H VAL A 62 6.664 -9.803 2.026 1.00 0.00 H new ATOM 0 HA VAL A 62 7.797 -7.600 3.474 1.00 0.00 H new ATOM 0 HB VAL A 62 5.440 -6.849 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.002 -6.619 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.716 -6.338 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.210 -7.882 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.650 -8.177 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.804 -9.503 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.380 -9.027 3.971 1.00 0.00 H new ATOM 911 N GLY A 63 6.788 -10.127 5.102 1.00 0.00 N ATOM 912 CA GLY A 63 6.583 -10.691 6.423 1.00 0.00 C ATOM 913 C GLY A 63 5.196 -10.407 6.965 1.00 0.00 C ATOM 914 O GLY A 63 4.450 -9.612 6.394 1.00 0.00 O ATOM 0 H GLY A 63 6.947 -10.812 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.741 -11.769 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.328 -10.285 7.108 1.00 0.00 H new ATOM 918 N SER A 64 4.849 -11.059 8.070 1.00 0.00 N ATOM 919 CA SER A 64 3.540 -10.877 8.687 1.00 0.00 C ATOM 920 C SER A 64 3.596 -9.807 9.773 1.00 0.00 C ATOM 921 O SER A 64 2.987 -9.950 10.833 1.00 0.00 O ATOM 922 CB SER A 64 3.045 -12.197 9.280 1.00 0.00 C ATOM 923 OG SER A 64 2.352 -12.964 8.311 1.00 0.00 O ATOM 0 H SER A 64 5.456 -11.718 8.557 1.00 0.00 H new ATOM 0 HA SER A 64 2.843 -10.550 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.891 -12.767 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.388 -11.995 10.126 1.00 0.00 H new ATOM 0 HG SER A 64 2.187 -13.864 8.663 1.00 0.00 H new ATOM 929 N ASP A 65 4.331 -8.734 9.500 1.00 0.00 N ATOM 930 CA ASP A 65 4.466 -7.638 10.453 1.00 0.00 C ATOM 931 C ASP A 65 4.304 -6.290 9.756 1.00 0.00 C ATOM 932 O ASP A 65 5.079 -5.923 8.873 1.00 0.00 O ATOM 933 CB ASP A 65 5.825 -7.705 11.150 1.00 0.00 C ATOM 934 CG ASP A 65 5.903 -8.834 12.160 1.00 0.00 C ATOM 935 OD1 ASP A 65 4.881 -9.106 12.825 1.00 0.00 O ATOM 936 OD2 ASP A 65 6.984 -9.445 12.283 1.00 0.00 O ATOM 0 H ASP A 65 4.842 -8.600 8.627 1.00 0.00 H new ATOM 0 HA ASP A 65 3.678 -7.739 11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.607 -7.836 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.019 -6.758 11.653 1.00 0.00 H new ATOM 941 N PRO A 66 3.271 -5.536 10.161 1.00 0.00 N ATOM 942 CA PRO A 66 2.983 -4.217 9.589 1.00 0.00 C ATOM 943 C PRO A 66 4.025 -3.175 9.980 1.00 0.00 C ATOM 944 O PRO A 66 4.546 -2.454 9.128 1.00 0.00 O ATOM 945 CB PRO A 66 1.620 -3.861 10.188 1.00 0.00 C ATOM 946 CG PRO A 66 1.551 -4.635 11.459 1.00 0.00 C ATOM 947 CD PRO A 66 2.307 -5.911 11.208 1.00 0.00 C ATOM 0 HA PRO A 66 2.994 -4.234 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.536 -2.790 10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.808 -4.134 9.514 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.994 -4.074 12.282 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.517 -4.842 11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.809 -6.264 12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.645 -6.712 10.877 1.00 0.00 H new ATOM 955 N ARG A 67 4.325 -3.100 11.272 1.00 0.00 N ATOM 956 CA ARG A 67 5.305 -2.145 11.775 1.00 0.00 C ATOM 957 C ARG A 67 6.666 -2.367 11.121 1.00 0.00 C ATOM 958 O ARG A 67 7.397 -1.415 10.849 1.00 0.00 O ATOM 959 CB ARG A 67 5.432 -2.266 13.295 1.00 0.00 C ATOM 960 CG ARG A 67 4.108 -2.136 14.029 1.00 0.00 C ATOM 961 CD ARG A 67 4.197 -2.691 15.442 1.00 0.00 C ATOM 962 NE ARG A 67 3.270 -2.024 16.352 1.00 0.00 N ATOM 963 CZ ARG A 67 2.930 -2.510 17.541 1.00 0.00 C ATOM 964 NH1 ARG A 67 3.440 -3.659 17.962 1.00 0.00 N ATOM 965 NH2 ARG A 67 2.080 -1.844 18.313 1.00 0.00 N ATOM 0 H ARG A 67 3.903 -3.689 11.990 1.00 0.00 H new ATOM 0 HA ARG A 67 4.960 -1.142 11.524 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.879 -3.230 13.538 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.115 -1.497 13.656 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.813 -1.087 14.067 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.331 -2.666 13.477 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.983 -3.760 15.426 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.215 -2.576 15.813 1.00 0.00 H new ATOM 0 HE ARG A 67 2.861 -1.137 16.059 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.095 -4.172 17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.177 -4.030 18.875 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.687 -0.958 17.994 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.820 -2.218 19.226 1.00 0.00 H new ATOM 979 N ALA A 68 6.998 -3.629 10.872 1.00 0.00 N ATOM 980 CA ALA A 68 8.270 -3.975 10.249 1.00 0.00 C ATOM 981 C ALA A 68 8.241 -3.693 8.751 1.00 0.00 C ATOM 982 O ALA A 68 9.278 -3.435 8.138 1.00 0.00 O ATOM 983 CB ALA A 68 8.603 -5.437 10.507 1.00 0.00 C ATOM 0 H ALA A 68 6.404 -4.429 11.092 1.00 0.00 H new ATOM 0 HA ALA A 68 9.047 -3.353 10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.555 -5.682 10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.674 -5.610 11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.819 -6.068 10.089 1.00 0.00 H new ATOM 989 N LEU A 69 7.050 -3.745 8.166 1.00 0.00 N ATOM 990 CA LEU A 69 6.886 -3.495 6.738 1.00 0.00 C ATOM 991 C LEU A 69 7.051 -2.012 6.422 1.00 0.00 C ATOM 992 O LEU A 69 7.793 -1.640 5.514 1.00 0.00 O ATOM 993 CB LEU A 69 5.513 -3.979 6.270 1.00 0.00 C ATOM 994 CG LEU A 69 4.924 -3.256 5.057 1.00 0.00 C ATOM 995 CD1 LEU A 69 5.724 -3.578 3.804 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.462 -3.633 4.870 1.00 0.00 C ATOM 0 H LEU A 69 6.183 -3.958 8.659 1.00 0.00 H new ATOM 0 HA LEU A 69 7.660 -4.048 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.585 -5.041 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.813 -3.883 7.100 1.00 0.00 H new ATOM 0 HG LEU A 69 4.982 -2.182 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.291 -3.055 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.757 -3.258 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.698 -4.652 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.059 -3.110 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.381 -4.709 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.897 -3.351 5.759 1.00 0.00 H new ATOM 1008 N GLN A 70 6.355 -1.170 7.180 1.00 0.00 N ATOM 1009 CA GLN A 70 6.425 0.272 6.981 1.00 0.00 C ATOM 1010 C GLN A 70 7.862 0.769 7.103 1.00 0.00 C ATOM 1011 O GLN A 70 8.189 1.866 6.652 1.00 0.00 O ATOM 1012 CB GLN A 70 5.536 0.993 7.996 1.00 0.00 C ATOM 1013 CG GLN A 70 4.079 0.565 7.940 1.00 0.00 C ATOM 1014 CD GLN A 70 3.353 0.792 9.251 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.721 -0.117 9.790 1.00 0.00 O ATOM 1016 NE2 GLN A 70 3.439 2.010 9.772 1.00 0.00 N ATOM 0 H GLN A 70 5.737 -1.462 7.937 1.00 0.00 H new ATOM 0 HA GLN A 70 6.067 0.492 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.922 0.810 8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.597 2.067 7.822 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.572 1.117 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.025 -0.491 7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.974 2.734 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.970 2.222 10.653 1.00 0.00 H new ATOM 1025 N GLU A 71 8.715 -0.046 7.715 1.00 0.00 N ATOM 1026 CA GLU A 71 10.117 0.312 7.897 1.00 0.00 C ATOM 1027 C GLU A 71 10.958 -0.163 6.716 1.00 0.00 C ATOM 1028 O GLU A 71 11.967 0.453 6.370 1.00 0.00 O ATOM 1029 CB GLU A 71 10.656 -0.291 9.196 1.00 0.00 C ATOM 1030 CG GLU A 71 12.160 -0.143 9.357 1.00 0.00 C ATOM 1031 CD GLU A 71 12.667 -0.733 10.659 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.151 -1.793 11.070 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.579 -0.134 11.266 1.00 0.00 O ATOM 0 H GLU A 71 8.460 -0.958 8.093 1.00 0.00 H new ATOM 0 HA GLU A 71 10.183 1.398 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.160 0.186 10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.398 -1.349 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.661 -0.631 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.424 0.914 9.314 1.00 0.00 H new ATOM 1040 N LEU A 72 10.535 -1.262 6.101 1.00 0.00 N ATOM 1041 CA LEU A 72 11.249 -1.822 4.958 1.00 0.00 C ATOM 1042 C LEU A 72 11.275 -0.835 3.796 1.00 0.00 C ATOM 1043 O LEU A 72 12.301 -0.660 3.139 1.00 0.00 O ATOM 1044 CB LEU A 72 10.595 -3.132 4.515 1.00 0.00 C ATOM 1045 CG LEU A 72 9.515 -3.013 3.439 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.143 -2.747 2.080 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.663 -4.273 3.397 1.00 0.00 C ATOM 0 H LEU A 72 9.702 -1.783 6.374 1.00 0.00 H new ATOM 0 HA LEU A 72 12.276 -2.021 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.375 -3.798 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.156 -3.610 5.391 1.00 0.00 H new ATOM 0 HG LEU A 72 8.870 -2.171 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.359 -2.665 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.709 -1.816 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.811 -3.568 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.900 -4.171 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.295 -5.132 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.183 -4.420 4.365 1.00 0.00 H new ATOM 1059 N LEU A 73 10.139 -0.190 3.549 1.00 0.00 N ATOM 1060 CA LEU A 73 10.032 0.782 2.466 1.00 0.00 C ATOM 1061 C LEU A 73 10.961 1.967 2.705 1.00 0.00 C ATOM 1062 O LEU A 73 11.719 2.363 1.819 1.00 0.00 O ATOM 1063 CB LEU A 73 8.588 1.270 2.335 1.00 0.00 C ATOM 1064 CG LEU A 73 7.596 0.276 1.730 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.200 0.510 2.284 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.594 0.381 0.212 1.00 0.00 C ATOM 0 H LEU A 73 9.280 -0.323 4.083 1.00 0.00 H new ATOM 0 HA LEU A 73 10.330 0.292 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.230 1.553 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.585 2.173 1.725 1.00 0.00 H new ATOM 0 HG LEU A 73 7.909 -0.732 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.508 -0.207 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.212 0.382 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.877 1.523 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.882 -0.334 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.307 1.390 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.591 0.162 -0.169 1.00 0.00 H new ATOM 1078 N ARG A 74 10.900 2.528 3.909 1.00 0.00 N ATOM 1079 CA ARG A 74 11.737 3.668 4.264 1.00 0.00 C ATOM 1080 C ARG A 74 13.114 3.553 3.619 1.00 0.00 C ATOM 1081 O ARG A 74 13.597 4.494 2.990 1.00 0.00 O ATOM 1082 CB ARG A 74 11.881 3.767 5.784 1.00 0.00 C ATOM 1083 CG ARG A 74 12.776 4.909 6.238 1.00 0.00 C ATOM 1084 CD ARG A 74 13.038 4.851 7.734 1.00 0.00 C ATOM 1085 NE ARG A 74 14.266 5.549 8.103 1.00 0.00 N ATOM 1086 CZ ARG A 74 14.624 5.793 9.358 1.00 0.00 C ATOM 1087 NH1 ARG A 74 13.851 5.399 10.361 1.00 0.00 N ATOM 1088 NH2 ARG A 74 15.758 6.434 9.614 1.00 0.00 N ATOM 0 H ARG A 74 10.280 2.212 4.654 1.00 0.00 H new ATOM 0 HA ARG A 74 11.255 4.572 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.893 3.893 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.283 2.828 6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.723 4.866 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.309 5.861 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.196 5.293 8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.104 3.810 8.050 1.00 0.00 H new ATOM 0 HE ARG A 74 14.883 5.867 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.978 4.907 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.129 5.588 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.356 6.740 8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.032 6.621 10.579 1.00 0.00 H new ATOM 1102 N ASN A 75 13.743 2.393 3.779 1.00 0.00 N ATOM 1103 CA ASN A 75 15.065 2.155 3.213 1.00 0.00 C ATOM 1104 C ASN A 75 15.002 2.092 1.690 1.00 0.00 C ATOM 1105 O ASN A 75 15.842 2.666 0.999 1.00 0.00 O ATOM 1106 CB ASN A 75 15.653 0.855 3.764 1.00 0.00 C ATOM 1107 CG ASN A 75 15.677 0.828 5.280 1.00 0.00 C ATOM 1108 OD1 ASN A 75 14.562 0.430 5.883 1.00 0.00 O flip ATOM 1109 ND2 ASN A 75 16.686 1.161 5.902 1.00 0.00 N flip ATOM 0 H ASN A 75 13.358 1.603 4.296 1.00 0.00 H new ATOM 0 HA ASN A 75 15.709 2.987 3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.068 0.011 3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.667 0.729 3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.521 1.460 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.687 1.138 6.922 1.00 0.00 H new ATOM 1116 N ALA A 76 13.998 1.390 1.174 1.00 0.00 N ATOM 1117 CA ALA A 76 13.823 1.254 -0.267 1.00 0.00 C ATOM 1118 C ALA A 76 13.995 2.595 -0.971 1.00 0.00 C ATOM 1119 O ALA A 76 13.285 3.557 -0.677 1.00 0.00 O ATOM 1120 CB ALA A 76 12.455 0.664 -0.579 1.00 0.00 C ATOM 0 H ALA A 76 13.294 0.907 1.732 1.00 0.00 H new ATOM 0 HA ALA A 76 14.593 0.577 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.338 0.568 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.368 -0.319 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.678 1.320 -0.187 1.00 0.00 H new ATOM 1126 N SER A 77 14.943 2.654 -1.900 1.00 0.00 N ATOM 1127 CA SER A 77 15.212 3.880 -2.642 1.00 0.00 C ATOM 1128 C SER A 77 15.123 3.635 -4.146 1.00 0.00 C ATOM 1129 O SER A 77 15.088 2.492 -4.599 1.00 0.00 O ATOM 1130 CB SER A 77 16.596 4.425 -2.284 1.00 0.00 C ATOM 1131 OG SER A 77 16.996 5.436 -3.193 1.00 0.00 O ATOM 0 H SER A 77 15.538 1.867 -2.157 1.00 0.00 H new ATOM 0 HA SER A 77 14.457 4.616 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.581 4.827 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.324 3.614 -2.294 1.00 0.00 H new ATOM 0 HG SER A 77 17.883 5.769 -2.942 1.00 0.00 H new ATOM 1137 N GLY A 78 15.086 4.720 -4.914 1.00 0.00 N ATOM 1138 CA GLY A 78 15.001 4.603 -6.358 1.00 0.00 C ATOM 1139 C GLY A 78 13.693 3.986 -6.814 1.00 0.00 C ATOM 1140 O GLY A 78 12.690 4.045 -6.103 1.00 0.00 O ATOM 0 H GLY A 78 15.113 5.677 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.109 5.591 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.831 3.996 -6.720 1.00 0.00 H new ATOM 1144 N SER A 79 13.704 3.393 -8.004 1.00 0.00 N ATOM 1145 CA SER A 79 12.508 2.767 -8.556 1.00 0.00 C ATOM 1146 C SER A 79 12.138 1.513 -7.770 1.00 0.00 C ATOM 1147 O SER A 79 12.647 0.425 -8.040 1.00 0.00 O ATOM 1148 CB SER A 79 12.725 2.414 -10.029 1.00 0.00 C ATOM 1149 OG SER A 79 12.923 3.580 -10.809 1.00 0.00 O ATOM 0 H SER A 79 14.527 3.333 -8.604 1.00 0.00 H new ATOM 0 HA SER A 79 11.686 3.479 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.590 1.757 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.863 1.863 -10.405 1.00 0.00 H new ATOM 0 HG SER A 79 13.061 3.327 -11.746 1.00 0.00 H new ATOM 1155 N VAL A 80 11.250 1.674 -6.794 1.00 0.00 N ATOM 1156 CA VAL A 80 10.810 0.556 -5.968 1.00 0.00 C ATOM 1157 C VAL A 80 9.487 -0.011 -6.470 1.00 0.00 C ATOM 1158 O VAL A 80 8.602 0.734 -6.894 1.00 0.00 O ATOM 1159 CB VAL A 80 10.652 0.975 -4.495 1.00 0.00 C ATOM 1160 CG1 VAL A 80 10.138 -0.189 -3.661 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.971 1.494 -3.944 1.00 0.00 C ATOM 0 H VAL A 80 10.821 2.568 -6.556 1.00 0.00 H new ATOM 0 HA VAL A 80 11.580 -0.212 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 80 9.920 1.781 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.033 0.126 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.169 -0.510 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.844 -1.018 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.840 1.786 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.726 0.711 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.293 2.358 -4.525 1.00 0.00 H new ATOM 1171 N ILE A 81 9.357 -1.332 -6.417 1.00 0.00 N ATOM 1172 CA ILE A 81 8.140 -1.999 -6.865 1.00 0.00 C ATOM 1173 C ILE A 81 7.341 -2.535 -5.682 1.00 0.00 C ATOM 1174 O ILE A 81 7.909 -2.935 -4.665 1.00 0.00 O ATOM 1175 CB ILE A 81 8.455 -3.160 -7.826 1.00 0.00 C ATOM 1176 CG1 ILE A 81 9.013 -2.622 -9.145 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.208 -3.996 -8.073 1.00 0.00 C ATOM 1178 CD1 ILE A 81 10.157 -1.649 -8.966 1.00 0.00 C ATOM 0 H ILE A 81 10.079 -1.962 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 81 7.547 -1.253 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 81 9.211 -3.797 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.351 -3.459 -9.755 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.211 -2.130 -9.695 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.447 -4.813 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.851 -4.405 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.432 -3.370 -8.514 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.502 -1.309 -9.943 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.818 -0.793 -8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.976 -2.143 -8.444 1.00 0.00 H new ATOM 1190 N LEU A 82 6.020 -2.542 -5.823 1.00 0.00 N ATOM 1191 CA LEU A 82 5.141 -3.031 -4.767 1.00 0.00 C ATOM 1192 C LEU A 82 3.988 -3.842 -5.350 1.00 0.00 C ATOM 1193 O LEU A 82 3.172 -3.323 -6.111 1.00 0.00 O ATOM 1194 CB LEU A 82 4.593 -1.860 -3.949 1.00 0.00 C ATOM 1195 CG LEU A 82 5.513 -1.315 -2.857 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.999 0.020 -2.342 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.639 -2.316 -1.717 1.00 0.00 C ATOM 0 H LEU A 82 5.534 -2.215 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 82 5.725 -3.681 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.353 -1.046 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.658 -2.173 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 82 6.502 -1.158 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.667 0.392 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.962 0.737 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.999 -0.110 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.298 -1.911 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.655 -2.505 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.055 -3.249 -2.097 1.00 0.00 H new ATOM 1209 N LYS A 83 3.926 -5.119 -4.986 1.00 0.00 N ATOM 1210 CA LYS A 83 2.872 -6.003 -5.470 1.00 0.00 C ATOM 1211 C LYS A 83 1.632 -5.903 -4.588 1.00 0.00 C ATOM 1212 O LYS A 83 1.729 -5.904 -3.361 1.00 0.00 O ATOM 1213 CB LYS A 83 3.369 -7.450 -5.507 1.00 0.00 C ATOM 1214 CG LYS A 83 2.711 -8.291 -6.588 1.00 0.00 C ATOM 1215 CD LYS A 83 3.540 -9.521 -6.919 1.00 0.00 C ATOM 1216 CE LYS A 83 2.758 -10.506 -7.774 1.00 0.00 C ATOM 1217 NZ LYS A 83 3.650 -11.500 -8.432 1.00 0.00 N ATOM 0 H LYS A 83 4.594 -5.565 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 83 2.605 -5.691 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.448 -7.451 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.187 -7.913 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.719 -8.598 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.576 -7.689 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.446 -9.220 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.855 -10.008 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.029 -11.027 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.198 -9.962 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.079 -12.153 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.329 -11.005 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.166 -12.037 -7.706 1.00 0.00 H new ATOM 1231 N ILE A 84 0.467 -5.817 -5.222 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.793 -5.720 -4.494 1.00 0.00 C ATOM 1233 C ILE A 84 -1.808 -6.731 -5.014 1.00 0.00 C ATOM 1234 O ILE A 84 -1.724 -7.179 -6.159 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.394 -4.306 -4.597 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.295 -3.249 -4.466 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.460 -4.104 -3.530 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.117 -2.981 -3.035 1.00 0.00 C ATOM 0 H ILE A 84 0.369 -5.813 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.571 -5.937 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.862 -4.197 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.578 -3.572 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.641 -2.319 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.875 -3.100 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.254 -4.838 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.015 -4.229 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.899 -2.222 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.745 -2.628 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.494 -3.900 -2.587 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.768 -7.086 -4.168 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.803 -8.044 -4.543 1.00 0.00 C ATOM 1252 C LEU A 85 -5.097 -7.772 -3.783 1.00 0.00 C ATOM 1253 O LEU A 85 -5.077 -7.248 -2.669 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.327 -9.471 -4.269 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.605 -10.171 -5.420 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -1.578 -11.157 -4.886 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -3.604 -10.876 -6.326 1.00 0.00 C ATOM 0 H LEU A 85 -2.852 -6.725 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.999 -7.932 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.660 -9.451 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.191 -10.073 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.082 -9.417 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.074 -11.645 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.844 -10.626 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.078 -11.908 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.072 -11.369 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.156 -11.619 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.301 -10.146 -6.738 1.00 0.00 H new ATOM 1269 N SER A 86 -6.222 -8.134 -4.391 1.00 0.00 N ATOM 1270 CA SER A 86 -7.527 -7.928 -3.773 1.00 0.00 C ATOM 1271 C SER A 86 -7.622 -8.673 -2.445 1.00 0.00 C ATOM 1272 O SER A 86 -8.294 -8.226 -1.516 1.00 0.00 O ATOM 1273 CB SER A 86 -8.640 -8.394 -4.713 1.00 0.00 C ATOM 1274 OG SER A 86 -9.917 -8.155 -4.149 1.00 0.00 O ATOM 0 H SER A 86 -6.256 -8.572 -5.312 1.00 0.00 H new ATOM 0 HA SER A 86 -7.647 -6.862 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.557 -7.873 -5.667 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.524 -9.458 -4.920 1.00 0.00 H new ATOM 0 HG SER A 86 -10.611 -8.460 -4.770 1.00 0.00 H new ATOM 1280 N GLY A 87 -6.943 -9.814 -2.363 1.00 0.00 N ATOM 1281 CA GLY A 87 -6.964 -10.604 -1.146 1.00 0.00 C ATOM 1282 C GLY A 87 -7.787 -11.869 -1.290 1.00 0.00 C ATOM 1283 O GLY A 87 -8.046 -12.344 -2.395 1.00 0.00 O ATOM 0 H GLY A 87 -6.379 -10.205 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.943 -10.868 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.368 -10.002 -0.332 1.00 0.00 H new ATOM 1287 N PRO A 88 -8.212 -12.435 -0.151 1.00 0.00 N ATOM 1288 CA PRO A 88 -9.017 -13.661 -0.128 1.00 0.00 C ATOM 1289 C PRO A 88 -10.428 -13.438 -0.659 1.00 0.00 C ATOM 1290 O PRO A 88 -11.248 -14.356 -0.674 1.00 0.00 O ATOM 1291 CB PRO A 88 -9.056 -14.032 1.357 1.00 0.00 C ATOM 1292 CG PRO A 88 -8.852 -12.743 2.075 1.00 0.00 C ATOM 1293 CD PRO A 88 -7.942 -11.922 1.203 1.00 0.00 C ATOM 0 HA PRO A 88 -8.594 -14.438 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.008 -14.489 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.276 -14.752 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.801 -12.233 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.407 -12.909 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.164 -10.858 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.896 -12.051 1.480 1.00 0.00 H new ATOM 1301 N SER A 89 -10.705 -12.213 -1.094 1.00 0.00 N ATOM 1302 CA SER A 89 -12.020 -11.868 -1.623 1.00 0.00 C ATOM 1303 C SER A 89 -13.048 -11.769 -0.500 1.00 0.00 C ATOM 1304 O SER A 89 -14.098 -12.410 -0.546 1.00 0.00 O ATOM 1305 CB SER A 89 -12.469 -12.910 -2.650 1.00 0.00 C ATOM 1306 OG SER A 89 -11.402 -13.269 -3.512 1.00 0.00 O ATOM 0 H SER A 89 -10.037 -11.443 -1.091 1.00 0.00 H new ATOM 0 HA SER A 89 -11.945 -10.896 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.839 -13.797 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.297 -12.513 -3.237 1.00 0.00 H new ATOM 0 HG SER A 89 -11.714 -13.937 -4.158 1.00 0.00 H new ATOM 1312 N SER A 90 -12.739 -10.959 0.507 1.00 0.00 N ATOM 1313 CA SER A 90 -13.633 -10.777 1.645 1.00 0.00 C ATOM 1314 C SER A 90 -13.711 -9.307 2.045 1.00 0.00 C ATOM 1315 O SER A 90 -12.971 -8.471 1.528 1.00 0.00 O ATOM 1316 CB SER A 90 -13.159 -11.617 2.832 1.00 0.00 C ATOM 1317 OG SER A 90 -11.818 -11.308 3.172 1.00 0.00 O ATOM 0 H SER A 90 -11.876 -10.418 0.558 1.00 0.00 H new ATOM 0 HA SER A 90 -14.629 -11.108 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.806 -11.437 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.241 -12.676 2.588 1.00 0.00 H new ATOM 0 HG SER A 90 -11.539 -11.857 3.935 1.00 0.00 H new ATOM 1323 N GLY A 91 -14.614 -8.999 2.971 1.00 0.00 N ATOM 1324 CA GLY A 91 -14.773 -7.631 3.426 1.00 0.00 C ATOM 1325 C GLY A 91 -14.068 -7.371 4.742 1.00 0.00 C ATOM 1326 O GLY A 91 -13.442 -6.327 4.924 1.00 0.00 O ATOM 0 H GLY A 91 -15.238 -9.673 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.383 -6.952 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.835 -7.409 3.536 1.00 0.00 H new TER 1330 GLY A 91