USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 773 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 3 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -0.377 (180deg=-1.66!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 139:sc= 1.24 (180deg=1.17) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.059 USER MOD Single : A 23 SER OG : rot 140:sc= -0.783 USER MOD Single : A 24 THR OG1 : rot 120:sc= -0.0545 USER MOD Single : A 27 GLN : amide:sc= 1.01 K(o=1,f=-0.93) USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.681 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 39 SER OG : rot 75:sc= 1.24 USER MOD Single : A 41 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 1.23 (180deg=1.13) USER MOD Single : A 45 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.36) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-0.075) USER MOD Single : A 50 HIS : no HD1:sc=-0.00571 X(o=-0.0057,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-1.8!) USER MOD Single : A 57 MET CE :methyl -163:sc= -0.0883 (180deg=-0.508) USER MOD Single : A 58 MET CE :methyl 180:sc= -0.322 (180deg=-0.322) USER MOD Single : A 61 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.024) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00365 K(o=-0.0036,f=-0.92) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 2.13 (180deg=2.07) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -24.200 17.097 -14.481 1.00 1.00 N ATOM 2 CA PRO A 1 -23.267 17.159 -13.341 1.00 1.00 C ATOM 3 C PRO A 1 -23.969 17.787 -12.145 1.00 1.00 C ATOM 4 O PRO A 1 -25.193 17.833 -12.111 1.00 1.00 O ATOM 5 CB PRO A 1 -22.056 17.987 -13.743 1.00 1.00 C ATOM 6 CG PRO A 1 -22.184 18.143 -15.224 1.00 1.00 C ATOM 7 CD PRO A 1 -23.380 17.324 -15.683 1.00 1.00 C ATOM 0 H2 PRO A 1 -24.929 17.805 -14.396 1.00 1.00 H new ATOM 0 H3 PRO A 1 -24.667 16.191 -14.523 1.00 1.00 H new ATOM 0 HA PRO A 1 -22.941 16.156 -13.065 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -22.052 18.954 -13.241 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -21.126 17.486 -13.476 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -22.318 19.192 -15.486 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -21.276 17.803 -15.723 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -23.947 17.855 -16.448 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -23.061 16.379 -16.122 1.00 1.00 H new ATOM 17 N ILE A 2 -23.195 18.278 -11.190 1.00 1.00 N ATOM 18 CA ILE A 2 -23.740 18.925 -9.987 1.00 1.00 C ATOM 19 C ILE A 2 -24.366 17.931 -8.987 1.00 1.00 C ATOM 20 O ILE A 2 -24.998 16.936 -9.360 1.00 1.00 O ATOM 21 CB ILE A 2 -24.781 20.045 -10.324 1.00 1.00 C ATOM 22 CG1 ILE A 2 -24.198 21.033 -11.349 1.00 1.00 C ATOM 23 CG2 ILE A 2 -25.228 20.785 -9.062 1.00 1.00 C ATOM 24 CD1 ILE A 2 -25.163 22.133 -11.753 1.00 1.00 C ATOM 0 H ILE A 2 -22.176 18.244 -11.218 1.00 1.00 H new ATOM 0 HA ILE A 2 -22.873 19.382 -9.510 1.00 1.00 H new ATOM 0 HB ILE A 2 -25.658 19.566 -10.760 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -23.298 21.486 -10.933 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -23.895 20.482 -12.240 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -25.950 21.556 -9.329 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -25.689 20.080 -8.371 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -24.363 21.247 -8.586 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -24.682 22.791 -12.477 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -26.053 21.690 -12.200 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -25.447 22.709 -10.872 1.00 1.00 H new ATOM 36 N THR A 3 -24.112 18.244 -7.711 1.00 1.00 N ATOM 37 CA THR A 3 -24.592 17.525 -6.521 1.00 1.00 C ATOM 38 C THR A 3 -24.665 16.003 -6.638 1.00 1.00 C ATOM 39 O THR A 3 -23.694 15.304 -6.357 1.00 1.00 O ATOM 40 CB THR A 3 -25.960 18.070 -6.037 1.00 1.00 C ATOM 41 OG1 THR A 3 -26.875 18.265 -7.132 1.00 1.00 O ATOM 42 CG2 THR A 3 -25.736 19.388 -5.335 1.00 1.00 C ATOM 0 H THR A 3 -23.535 19.049 -7.466 1.00 1.00 H new ATOM 0 HA THR A 3 -23.815 17.725 -5.783 1.00 1.00 H new ATOM 0 HB THR A 3 -26.401 17.338 -5.360 1.00 1.00 H new ATOM 0 HG1 THR A 3 -27.727 18.608 -6.789 1.00 1.00 H new ATOM 0 HG21 THR A 3 -26.691 19.783 -4.989 1.00 1.00 H new ATOM 0 HG22 THR A 3 -25.075 19.238 -4.481 1.00 1.00 H new ATOM 0 HG23 THR A 3 -25.280 20.096 -6.027 1.00 1.00 H new ATOM 50 N LYS A 4 -25.820 15.493 -7.029 1.00 1.00 N ATOM 51 CA LYS A 4 -26.020 14.066 -7.144 1.00 1.00 C ATOM 52 C LYS A 4 -25.026 13.415 -8.114 1.00 1.00 C ATOM 53 O LYS A 4 -24.486 12.349 -7.825 1.00 1.00 O ATOM 54 CB LYS A 4 -27.450 13.812 -7.582 1.00 1.00 C ATOM 55 CG LYS A 4 -27.837 12.350 -7.589 1.00 1.00 C ATOM 56 CD LYS A 4 -29.271 12.166 -8.054 1.00 1.00 C ATOM 57 CE LYS A 4 -29.619 10.697 -8.189 1.00 1.00 C ATOM 58 NZ LYS A 4 -31.011 10.500 -8.680 1.00 1.00 N ATOM 0 H LYS A 4 -26.636 16.054 -7.273 1.00 1.00 H new ATOM 0 HA LYS A 4 -25.839 13.609 -6.171 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -28.125 14.353 -6.919 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -27.591 14.220 -8.583 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -27.165 11.796 -8.244 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -27.720 11.935 -6.588 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -29.950 12.640 -7.345 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -29.412 12.666 -9.012 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -28.920 10.220 -8.876 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -29.502 10.206 -7.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -31.211 9.482 -8.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -31.680 10.933 -8.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -31.116 10.947 -9.613 1.00 1.00 H new ATOM 72 N GLU A 5 -24.751 14.076 -9.235 1.00 1.00 N ATOM 73 CA GLU A 5 -23.802 13.536 -10.213 1.00 1.00 C ATOM 74 C GLU A 5 -22.384 13.796 -9.750 1.00 1.00 C ATOM 75 O GLU A 5 -21.432 13.144 -10.176 1.00 1.00 O ATOM 76 CB GLU A 5 -24.003 14.163 -11.585 1.00 1.00 C ATOM 77 CG GLU A 5 -24.931 13.349 -12.457 1.00 1.00 C ATOM 78 CD GLU A 5 -24.326 12.015 -12.839 1.00 1.00 C ATOM 79 OE1 GLU A 5 -23.221 12.014 -13.418 1.00 1.00 O ATOM 80 OE2 GLU A 5 -24.952 10.977 -12.552 1.00 1.00 O ATOM 0 H GLU A 5 -25.163 14.974 -9.490 1.00 1.00 H new ATOM 0 HA GLU A 5 -23.979 12.463 -10.293 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -24.408 15.168 -11.467 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -23.038 14.264 -12.081 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -25.871 13.183 -11.930 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -25.167 13.912 -13.360 1.00 1.00 H new ATOM 87 N GLU A 6 -22.251 14.743 -8.840 1.00 1.00 N ATOM 88 CA GLU A 6 -20.957 15.063 -8.298 1.00 1.00 C ATOM 89 C GLU A 6 -20.643 14.022 -7.247 1.00 1.00 C ATOM 90 O GLU A 6 -19.489 13.728 -6.954 1.00 1.00 O ATOM 91 CB GLU A 6 -20.960 16.468 -7.721 1.00 1.00 C ATOM 92 CG GLU A 6 -20.746 17.522 -8.792 1.00 1.00 C ATOM 93 CD GLU A 6 -19.487 17.282 -9.614 1.00 1.00 C ATOM 94 OE1 GLU A 6 -18.373 17.579 -9.125 1.00 1.00 O ATOM 95 OE2 GLU A 6 -19.610 16.799 -10.758 1.00 1.00 O ATOM 0 H GLU A 6 -23.022 15.297 -8.467 1.00 1.00 H new ATOM 0 HA GLU A 6 -20.189 15.047 -9.071 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -21.909 16.651 -7.217 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -20.177 16.552 -6.967 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -21.610 17.539 -9.456 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -20.686 18.504 -8.322 1.00 1.00 H new ATOM 102 N LYS A 7 -21.710 13.428 -6.708 1.00 1.00 N ATOM 103 CA LYS A 7 -21.566 12.382 -5.734 1.00 1.00 C ATOM 104 C LYS A 7 -21.223 11.082 -6.441 1.00 1.00 C ATOM 105 O LYS A 7 -20.384 10.335 -5.975 1.00 1.00 O ATOM 106 CB LYS A 7 -22.831 12.207 -4.908 1.00 1.00 C ATOM 107 CG LYS A 7 -22.992 13.261 -3.830 1.00 1.00 C ATOM 108 CD LYS A 7 -24.211 13.001 -2.947 1.00 1.00 C ATOM 109 CE LYS A 7 -24.117 11.694 -2.153 1.00 1.00 C ATOM 110 NZ LYS A 7 -24.660 10.514 -2.896 1.00 1.00 N ATOM 0 H LYS A 7 -22.675 13.664 -6.939 1.00 1.00 H new ATOM 0 HA LYS A 7 -20.763 12.658 -5.051 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -23.696 12.239 -5.570 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -22.820 11.221 -4.444 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -22.095 13.285 -3.211 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -23.085 14.243 -4.295 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -24.331 13.832 -2.252 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -25.104 12.975 -3.571 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -23.074 11.506 -1.897 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -24.660 11.806 -1.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -25.300 9.978 -2.276 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -25.183 10.842 -3.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -23.875 9.901 -3.196 1.00 1.00 H new ATOM 124 N GLN A 8 -21.866 10.816 -7.578 1.00 1.00 N ATOM 125 CA GLN A 8 -21.552 9.607 -8.331 1.00 1.00 C ATOM 126 C GLN A 8 -20.067 9.650 -8.716 1.00 1.00 C ATOM 127 O GLN A 8 -19.360 8.642 -8.704 1.00 1.00 O ATOM 128 CB GLN A 8 -22.453 9.491 -9.551 1.00 1.00 C ATOM 129 CG GLN A 8 -22.311 8.157 -10.251 1.00 1.00 C ATOM 130 CD GLN A 8 -23.362 7.940 -11.315 1.00 1.00 C ATOM 131 OE1 GLN A 8 -24.433 7.408 -11.048 1.00 1.00 O ATOM 132 NE2 GLN A 8 -23.059 8.340 -12.532 1.00 1.00 N ATOM 0 H GLN A 8 -22.590 11.406 -7.988 1.00 1.00 H new ATOM 0 HA GLN A 8 -21.734 8.721 -7.722 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -23.491 9.630 -9.247 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -22.216 10.292 -10.251 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -21.322 8.093 -10.705 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -22.376 7.356 -9.514 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -22.157 8.779 -12.715 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -23.727 8.211 -13.292 1.00 1.00 H new ATOM 141 N LYS A 9 -19.624 10.857 -9.039 1.00 1.00 N ATOM 142 CA LYS A 9 -18.230 11.159 -9.334 1.00 1.00 C ATOM 143 C LYS A 9 -17.359 10.818 -8.107 1.00 1.00 C ATOM 144 O LYS A 9 -16.273 10.254 -8.230 1.00 1.00 O ATOM 145 CB LYS A 9 -18.177 12.647 -9.661 1.00 1.00 C ATOM 146 CG LYS A 9 -16.809 13.278 -9.795 1.00 1.00 C ATOM 147 CD LYS A 9 -17.010 14.748 -10.105 1.00 1.00 C ATOM 148 CE LYS A 9 -15.735 15.555 -10.074 1.00 1.00 C ATOM 149 NZ LYS A 9 -16.030 16.980 -10.378 1.00 1.00 N ATOM 0 H LYS A 9 -20.236 11.670 -9.105 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.848 10.574 -10.171 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.715 12.807 -10.595 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -18.721 13.183 -8.884 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -16.239 13.155 -8.874 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -16.240 12.794 -10.589 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.466 14.843 -11.091 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -17.713 15.169 -9.386 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -15.266 15.473 -9.093 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -15.026 15.158 -10.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -15.469 17.592 -9.751 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -15.785 17.181 -11.369 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.042 17.165 -10.227 1.00 1.00 H new ATOM 163 N VAL A 10 -17.869 11.149 -6.916 1.00 1.00 N ATOM 164 CA VAL A 10 -17.171 10.852 -5.658 1.00 1.00 C ATOM 165 C VAL A 10 -17.088 9.342 -5.407 1.00 1.00 C ATOM 166 O VAL A 10 -16.098 8.853 -4.893 1.00 1.00 O ATOM 167 CB VAL A 10 -17.853 11.527 -4.438 1.00 1.00 C ATOM 168 CG1 VAL A 10 -17.198 11.111 -3.127 1.00 1.00 C ATOM 169 CG2 VAL A 10 -17.807 13.035 -4.572 1.00 1.00 C ATOM 0 H VAL A 10 -18.764 11.623 -6.795 1.00 1.00 H new ATOM 0 HA VAL A 10 -16.166 11.259 -5.767 1.00 1.00 H new ATOM 0 HB VAL A 10 -18.891 11.195 -4.422 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -17.702 11.604 -2.296 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -17.275 10.030 -3.009 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -16.147 11.401 -3.137 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -18.290 13.492 -3.708 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -16.769 13.364 -4.624 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -18.329 13.336 -5.480 1.00 1.00 H new ATOM 179 N ILE A 11 -18.116 8.587 -5.766 1.00 1.00 N ATOM 180 CA ILE A 11 -18.049 7.150 -5.538 1.00 1.00 C ATOM 181 C ILE A 11 -17.188 6.432 -6.566 1.00 1.00 C ATOM 182 O ILE A 11 -16.763 5.292 -6.352 1.00 1.00 O ATOM 183 CB ILE A 11 -19.396 6.451 -5.449 1.00 1.00 C ATOM 184 CG1 ILE A 11 -20.566 7.413 -5.226 1.00 1.00 C ATOM 185 CG2 ILE A 11 -19.263 5.531 -4.269 1.00 1.00 C ATOM 186 CD1 ILE A 11 -20.440 8.220 -3.945 1.00 1.00 C ATOM 0 H ILE A 11 -18.975 8.927 -6.199 1.00 1.00 H new ATOM 0 HA ILE A 11 -17.584 7.080 -4.555 1.00 1.00 H new ATOM 0 HB ILE A 11 -19.622 5.941 -6.385 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -20.633 8.096 -6.073 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -21.496 6.845 -5.200 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -20.194 4.982 -4.129 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -18.450 4.827 -4.446 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -19.048 6.115 -3.374 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -21.300 8.882 -3.846 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -20.402 7.544 -3.091 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -19.527 8.814 -3.978 1.00 1.00 H new ATOM 198 N GLN A 12 -16.948 7.064 -7.696 1.00 1.00 N ATOM 199 CA GLN A 12 -16.090 6.455 -8.685 1.00 1.00 C ATOM 200 C GLN A 12 -14.634 6.906 -8.520 1.00 1.00 C ATOM 201 O GLN A 12 -13.733 6.086 -8.568 1.00 1.00 O ATOM 202 CB GLN A 12 -16.582 6.713 -10.110 1.00 1.00 C ATOM 203 CG GLN A 12 -16.639 8.176 -10.522 1.00 1.00 C ATOM 204 CD GLN A 12 -16.937 8.355 -11.999 1.00 1.00 C ATOM 205 OE1 GLN A 12 -17.642 7.559 -12.608 1.00 1.00 O ATOM 206 NE2 GLN A 12 -16.393 9.400 -12.590 1.00 1.00 N ATOM 0 H GLN A 12 -17.326 7.978 -7.947 1.00 1.00 H new ATOM 0 HA GLN A 12 -16.131 5.379 -8.516 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -15.930 6.182 -10.804 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -17.578 6.283 -10.216 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -17.405 8.685 -9.936 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -15.688 8.653 -10.287 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -15.811 10.044 -12.054 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -16.554 9.565 -13.584 1.00 1.00 H new ATOM 215 N GLU A 13 -14.398 8.191 -8.282 1.00 1.00 N ATOM 216 CA GLU A 13 -13.018 8.689 -8.127 1.00 1.00 C ATOM 217 C GLU A 13 -12.596 8.712 -6.666 1.00 1.00 C ATOM 218 O GLU A 13 -11.416 8.849 -6.325 1.00 1.00 O ATOM 219 CB GLU A 13 -12.926 10.093 -8.714 1.00 1.00 C ATOM 220 CG GLU A 13 -13.092 10.099 -10.221 1.00 1.00 C ATOM 221 CD GLU A 13 -13.083 11.493 -10.815 1.00 1.00 C ATOM 222 OE1 GLU A 13 -12.101 12.230 -10.591 1.00 1.00 O ATOM 223 OE2 GLU A 13 -14.064 11.847 -11.508 1.00 1.00 O ATOM 0 H GLU A 13 -15.123 8.903 -8.192 1.00 1.00 H new ATOM 0 HA GLU A 13 -12.345 8.015 -8.657 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -13.693 10.723 -8.264 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -11.962 10.530 -8.455 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -12.290 9.514 -10.671 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -14.030 9.607 -10.479 1.00 1.00 H new ATOM 230 N PHE A 14 -13.590 8.489 -5.840 1.00 1.00 N ATOM 231 CA PHE A 14 -13.476 8.513 -4.383 1.00 1.00 C ATOM 232 C PHE A 14 -12.938 9.821 -3.819 1.00 1.00 C ATOM 233 O PHE A 14 -12.122 10.527 -4.411 1.00 1.00 O ATOM 234 CB PHE A 14 -12.738 7.286 -3.870 1.00 1.00 C ATOM 235 CG PHE A 14 -13.682 6.129 -3.873 1.00 1.00 C ATOM 236 CD1 PHE A 14 -14.841 6.167 -3.104 1.00 1.00 C ATOM 237 CD2 PHE A 14 -13.451 5.036 -4.673 1.00 1.00 C ATOM 238 CE1 PHE A 14 -15.734 5.117 -3.124 1.00 1.00 C ATOM 239 CE2 PHE A 14 -14.339 3.981 -4.696 1.00 1.00 C ATOM 240 CZ PHE A 14 -15.486 4.024 -3.925 1.00 1.00 C ATOM 0 H PHE A 14 -14.534 8.278 -6.163 1.00 1.00 H new ATOM 0 HA PHE A 14 -14.494 8.465 -3.996 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -11.875 7.072 -4.500 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -12.361 7.464 -2.863 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -15.043 7.028 -2.485 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.565 5.003 -5.290 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -16.625 5.151 -2.514 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -14.138 3.120 -5.317 1.00 1.00 H new ATOM 0 HZ PHE A 14 -16.186 3.202 -3.951 1.00 1.00 H new ATOM 250 N ALA A 15 -13.485 10.168 -2.677 1.00 1.00 N ATOM 251 CA ALA A 15 -13.107 11.376 -1.982 1.00 1.00 C ATOM 252 C ALA A 15 -11.663 11.287 -1.455 1.00 1.00 C ATOM 253 O ALA A 15 -10.899 12.246 -1.531 1.00 1.00 O ATOM 254 CB ALA A 15 -14.083 11.613 -0.838 1.00 1.00 C ATOM 0 H ALA A 15 -14.204 9.621 -2.204 1.00 1.00 H new ATOM 0 HA ALA A 15 -13.147 12.215 -2.677 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -13.806 12.523 -0.306 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -15.092 11.718 -1.236 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -14.050 10.767 -0.151 1.00 1.00 H new ATOM 260 N ARG A 16 -11.316 10.098 -0.947 1.00 1.00 N ATOM 261 CA ARG A 16 -9.994 9.795 -0.353 1.00 1.00 C ATOM 262 C ARG A 16 -9.772 10.595 0.917 1.00 1.00 C ATOM 263 O ARG A 16 -8.646 10.769 1.381 1.00 1.00 O ATOM 264 CB ARG A 16 -8.811 10.008 -1.302 1.00 1.00 C ATOM 265 CG ARG A 16 -8.762 9.024 -2.459 1.00 1.00 C ATOM 266 CD ARG A 16 -9.399 9.607 -3.720 1.00 1.00 C ATOM 267 NE ARG A 16 -8.770 10.873 -4.138 1.00 1.00 N ATOM 268 CZ ARG A 16 -8.972 11.479 -5.291 1.00 1.00 C ATOM 269 NH1 ARG A 16 -9.738 10.963 -6.203 1.00 1.00 N ATOM 270 NH2 ARG A 16 -8.403 12.624 -5.519 1.00 1.00 N ATOM 0 H ARG A 16 -11.952 9.301 -0.934 1.00 1.00 H new ATOM 0 HA ARG A 16 -10.026 8.729 -0.128 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -8.857 11.021 -1.702 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -7.884 9.931 -0.734 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -7.726 8.755 -2.665 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -9.280 8.107 -2.180 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -9.322 8.882 -4.530 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -10.461 9.774 -3.542 1.00 1.00 H new ATOM 0 HE ARG A 16 -8.127 11.316 -3.482 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -10.200 10.069 -6.035 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -9.878 11.452 -7.087 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -7.806 13.047 -4.809 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -8.554 13.100 -6.408 1.00 1.00 H new ATOM 284 N PHE A 17 -10.862 11.071 1.475 1.00 1.00 N ATOM 285 CA PHE A 17 -10.816 11.816 2.706 1.00 1.00 C ATOM 286 C PHE A 17 -11.303 10.871 3.809 1.00 1.00 C ATOM 287 O PHE A 17 -12.084 9.962 3.512 1.00 1.00 O ATOM 288 CB PHE A 17 -11.669 13.089 2.618 1.00 1.00 C ATOM 289 CG PHE A 17 -11.318 14.026 1.483 1.00 1.00 C ATOM 290 CD1 PHE A 17 -10.008 14.435 1.262 1.00 1.00 C ATOM 291 CD2 PHE A 17 -12.309 14.488 0.630 1.00 1.00 C ATOM 292 CE1 PHE A 17 -9.705 15.310 0.231 1.00 1.00 C ATOM 293 CE2 PHE A 17 -12.010 15.363 -0.399 1.00 1.00 C ATOM 294 CZ PHE A 17 -10.705 15.760 -0.610 1.00 1.00 C ATOM 0 H PHE A 17 -11.799 10.952 1.089 1.00 1.00 H new ATOM 0 HA PHE A 17 -9.803 12.157 2.921 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -12.715 12.799 2.518 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -11.578 13.633 3.558 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -9.218 14.067 1.900 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -13.328 14.160 0.771 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -8.687 15.640 0.085 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -12.798 15.735 -1.037 1.00 1.00 H new ATOM 0 HZ PHE A 17 -10.466 16.421 -1.430 1.00 1.00 H new ATOM 304 N PRO A 18 -10.868 11.082 5.072 1.00 1.00 N ATOM 305 CA PRO A 18 -11.167 10.243 6.243 1.00 1.00 C ATOM 306 C PRO A 18 -12.278 9.193 6.062 1.00 1.00 C ATOM 307 O PRO A 18 -12.044 8.001 6.222 1.00 1.00 O ATOM 308 CB PRO A 18 -11.533 11.314 7.265 1.00 1.00 C ATOM 309 CG PRO A 18 -10.651 12.484 6.912 1.00 1.00 C ATOM 310 CD PRO A 18 -10.090 12.230 5.520 1.00 1.00 C ATOM 0 HA PRO A 18 -10.333 9.594 6.510 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -12.589 11.579 7.203 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -11.350 10.971 8.283 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -11.220 13.413 6.932 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -9.844 12.589 7.637 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -10.223 13.091 4.865 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -9.022 12.012 5.546 1.00 1.00 H new ATOM 318 N GLY A 19 -13.475 9.636 5.754 1.00 1.00 N ATOM 319 CA GLY A 19 -14.576 8.725 5.514 1.00 1.00 C ATOM 320 C GLY A 19 -15.615 9.427 4.667 1.00 1.00 C ATOM 321 O GLY A 19 -16.805 9.143 4.761 1.00 1.00 O ATOM 0 H GLY A 19 -13.714 10.623 5.663 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -14.220 7.828 5.008 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -15.014 8.405 6.460 1.00 1.00 H new ATOM 325 N ASP A 20 -15.133 10.273 3.750 1.00 1.00 N ATOM 326 CA ASP A 20 -16.019 11.153 2.972 1.00 1.00 C ATOM 327 C ASP A 20 -16.782 10.512 1.828 1.00 1.00 C ATOM 328 O ASP A 20 -17.315 11.196 0.954 1.00 1.00 O ATOM 329 CB ASP A 20 -15.274 12.374 2.494 1.00 1.00 C ATOM 330 CG ASP A 20 -15.053 13.322 3.638 1.00 1.00 C ATOM 331 OD1 ASP A 20 -14.229 12.996 4.522 1.00 1.00 O ATOM 332 OD2 ASP A 20 -15.721 14.372 3.672 1.00 1.00 O ATOM 0 H ASP A 20 -14.142 10.369 3.528 1.00 1.00 H new ATOM 0 HA ASP A 20 -16.797 11.430 3.683 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -14.316 12.081 2.064 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -15.839 12.869 1.705 1.00 1.00 H new ATOM 337 N THR A 21 -16.810 9.219 1.795 1.00 1.00 N ATOM 338 CA THR A 21 -17.614 8.548 0.818 1.00 1.00 C ATOM 339 C THR A 21 -18.421 7.457 1.511 1.00 1.00 C ATOM 340 O THR A 21 -19.342 6.888 0.938 1.00 1.00 O ATOM 341 CB THR A 21 -16.772 7.974 -0.327 1.00 1.00 C ATOM 342 OG1 THR A 21 -15.835 8.966 -0.778 1.00 1.00 O ATOM 343 CG2 THR A 21 -17.669 7.572 -1.478 1.00 1.00 C ATOM 0 H THR A 21 -16.291 8.608 2.426 1.00 1.00 H new ATOM 0 HA THR A 21 -18.290 9.272 0.364 1.00 1.00 H new ATOM 0 HB THR A 21 -16.234 7.097 0.032 1.00 1.00 H new ATOM 0 HG1 THR A 21 -16.270 9.844 -0.793 1.00 1.00 H new ATOM 0 HG21 THR A 21 -17.062 7.165 -2.287 1.00 1.00 H new ATOM 0 HG22 THR A 21 -18.378 6.816 -1.140 1.00 1.00 H new ATOM 0 HG23 THR A 21 -18.214 8.445 -1.837 1.00 1.00 H new ATOM 351 N GLY A 22 -18.110 7.240 2.801 1.00 1.00 N ATOM 352 CA GLY A 22 -18.769 6.190 3.577 1.00 1.00 C ATOM 353 C GLY A 22 -18.634 4.837 2.910 1.00 1.00 C ATOM 354 O GLY A 22 -19.474 3.956 3.050 1.00 1.00 O ATOM 0 H GLY A 22 -17.413 7.775 3.319 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -18.336 6.149 4.576 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -19.825 6.434 3.697 1.00 1.00 H new ATOM 358 N SER A 23 -17.532 4.671 2.216 1.00 1.00 N ATOM 359 CA SER A 23 -17.276 3.465 1.463 1.00 1.00 C ATOM 360 C SER A 23 -16.085 2.706 2.020 1.00 1.00 C ATOM 361 O SER A 23 -15.279 3.251 2.767 1.00 1.00 O ATOM 362 CB SER A 23 -16.991 3.870 0.012 1.00 1.00 C ATOM 363 OG SER A 23 -16.609 2.761 -0.784 1.00 1.00 O ATOM 0 H SER A 23 -16.789 5.367 2.157 1.00 1.00 H new ATOM 0 HA SER A 23 -18.144 2.809 1.527 1.00 1.00 H new ATOM 0 HB2 SER A 23 -17.879 4.334 -0.416 1.00 1.00 H new ATOM 0 HB3 SER A 23 -16.199 4.619 -0.006 1.00 1.00 H new ATOM 0 HG SER A 23 -17.027 2.833 -1.668 1.00 1.00 H new ATOM 369 N THR A 24 -16.010 1.432 1.718 1.00 1.00 N ATOM 370 CA THR A 24 -14.858 0.645 2.112 1.00 1.00 C ATOM 371 C THR A 24 -13.828 0.792 1.002 1.00 1.00 C ATOM 372 O THR A 24 -12.619 0.830 1.226 1.00 1.00 O ATOM 373 CB THR A 24 -15.218 -0.833 2.297 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.516 -0.942 2.893 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.198 -1.540 3.169 1.00 1.00 C ATOM 0 H THR A 24 -16.726 0.918 1.204 1.00 1.00 H new ATOM 0 HA THR A 24 -14.475 0.998 3.069 1.00 1.00 H new ATOM 0 HB THR A 24 -15.219 -1.309 1.316 1.00 1.00 H new ATOM 0 HG1 THR A 24 -17.112 -1.436 2.292 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.480 -2.587 3.283 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.215 -1.477 2.703 1.00 1.00 H new ATOM 0 HG23 THR A 24 -14.166 -1.065 4.149 1.00 1.00 H new ATOM 383 N GLU A 25 -14.365 0.944 -0.206 1.00 1.00 N ATOM 384 CA GLU A 25 -13.576 1.137 -1.416 1.00 1.00 C ATOM 385 C GLU A 25 -12.731 2.418 -1.298 1.00 1.00 C ATOM 386 O GLU A 25 -11.551 2.425 -1.638 1.00 1.00 O ATOM 387 CB GLU A 25 -14.507 1.276 -2.625 1.00 1.00 C ATOM 388 CG GLU A 25 -15.303 0.036 -3.000 1.00 1.00 C ATOM 389 CD GLU A 25 -16.304 0.339 -4.106 1.00 1.00 C ATOM 390 OE1 GLU A 25 -15.884 0.779 -5.201 1.00 1.00 O ATOM 391 OE2 GLU A 25 -17.518 0.183 -3.876 1.00 1.00 O ATOM 0 H GLU A 25 -15.371 0.936 -0.372 1.00 1.00 H new ATOM 0 HA GLU A 25 -12.922 0.275 -1.545 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.208 2.087 -2.427 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -13.909 1.574 -3.486 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -14.623 -0.751 -3.327 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.829 -0.341 -2.123 1.00 1.00 H new ATOM 398 N VAL A 26 -13.361 3.504 -0.807 1.00 1.00 N ATOM 399 CA VAL A 26 -12.676 4.799 -0.619 1.00 1.00 C ATOM 400 C VAL A 26 -11.449 4.647 0.281 1.00 1.00 C ATOM 401 O VAL A 26 -10.442 5.328 0.097 1.00 1.00 O ATOM 402 CB VAL A 26 -13.617 5.886 0.002 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.978 5.565 1.446 1.00 1.00 C ATOM 404 CG2 VAL A 26 -12.990 7.277 -0.051 1.00 1.00 C ATOM 0 H VAL A 26 -14.344 3.510 -0.533 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.372 5.126 -1.613 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.523 5.879 -0.603 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.632 6.344 1.839 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.492 4.605 1.488 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.069 5.517 2.046 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -13.675 8.002 0.390 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -12.054 7.276 0.508 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -12.793 7.548 -1.088 1.00 1.00 H new ATOM 414 N GLN A 27 -11.521 3.697 1.209 1.00 1.00 N ATOM 415 CA GLN A 27 -10.437 3.476 2.161 1.00 1.00 C ATOM 416 C GLN A 27 -9.305 2.686 1.521 1.00 1.00 C ATOM 417 O GLN A 27 -8.133 2.948 1.768 1.00 1.00 O ATOM 418 CB GLN A 27 -10.944 2.763 3.407 1.00 1.00 C ATOM 419 CG GLN A 27 -12.069 3.506 4.112 1.00 1.00 C ATOM 420 CD GLN A 27 -11.634 4.845 4.677 1.00 1.00 C ATOM 421 OE1 GLN A 27 -10.486 5.036 5.048 1.00 1.00 O ATOM 422 NE2 GLN A 27 -12.561 5.781 4.750 1.00 1.00 N ATOM 0 H GLN A 27 -12.317 3.069 1.322 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.050 4.451 2.458 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.293 1.768 3.131 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -10.115 2.629 4.102 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.888 3.663 3.411 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -12.456 2.885 4.920 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -13.510 5.585 4.430 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.329 6.700 5.126 1.00 1.00 H new ATOM 431 N VAL A 28 -9.653 1.708 0.702 1.00 1.00 N ATOM 432 CA VAL A 28 -8.641 0.948 -0.004 1.00 1.00 C ATOM 433 C VAL A 28 -8.030 1.854 -1.056 1.00 1.00 C ATOM 434 O VAL A 28 -6.856 1.739 -1.411 1.00 1.00 O ATOM 435 CB VAL A 28 -9.224 -0.310 -0.658 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.141 -1.136 -1.340 1.00 1.00 C ATOM 437 CG2 VAL A 28 -9.954 -1.137 0.380 1.00 1.00 C ATOM 0 H VAL A 28 -10.615 1.426 0.512 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.884 0.611 0.705 1.00 1.00 H new ATOM 0 HB VAL A 28 -9.930 0.000 -1.428 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -8.589 -2.020 -1.793 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -7.659 -0.537 -2.113 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.399 -1.443 -0.603 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -10.366 -2.030 -0.090 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.259 -1.430 1.167 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -10.763 -0.548 0.811 1.00 1.00 H new ATOM 447 N ALA A 29 -8.844 2.792 -1.524 1.00 1.00 N ATOM 448 CA ALA A 29 -8.393 3.761 -2.494 1.00 1.00 C ATOM 449 C ALA A 29 -7.315 4.635 -1.879 1.00 1.00 C ATOM 450 O ALA A 29 -6.263 4.838 -2.475 1.00 1.00 O ATOM 451 CB ALA A 29 -9.544 4.611 -3.009 1.00 1.00 C ATOM 0 H ALA A 29 -9.819 2.896 -1.243 1.00 1.00 H new ATOM 0 HA ALA A 29 -7.978 3.225 -3.348 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.168 5.330 -3.737 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.287 3.969 -3.483 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.003 5.144 -2.177 1.00 1.00 H new ATOM 457 N LEU A 30 -7.529 5.128 -0.666 1.00 1.00 N ATOM 458 CA LEU A 30 -6.494 5.954 -0.076 1.00 1.00 C ATOM 459 C LEU A 30 -5.408 5.096 0.605 1.00 1.00 C ATOM 460 O LEU A 30 -4.285 5.551 0.792 1.00 1.00 O ATOM 461 CB LEU A 30 -7.070 7.144 0.749 1.00 1.00 C ATOM 462 CG LEU A 30 -7.340 7.052 2.274 1.00 1.00 C ATOM 463 CD1 LEU A 30 -8.352 5.982 2.620 1.00 1.00 C ATOM 464 CD2 LEU A 30 -6.078 6.903 3.117 1.00 1.00 C ATOM 0 H LEU A 30 -8.364 4.980 -0.099 1.00 1.00 H new ATOM 0 HA LEU A 30 -5.957 6.467 -0.874 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.388 7.982 0.604 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.016 7.418 0.282 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.771 8.018 2.535 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -8.504 5.960 3.699 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -9.298 6.202 2.125 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -7.984 5.012 2.286 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.349 6.845 4.171 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.552 5.993 2.827 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -5.429 7.764 2.956 1.00 1.00 H new ATOM 476 N LEU A 31 -5.711 3.827 0.893 1.00 1.00 N ATOM 477 CA LEU A 31 -4.712 2.927 1.468 1.00 1.00 C ATOM 478 C LEU A 31 -3.680 2.586 0.375 1.00 1.00 C ATOM 479 O LEU A 31 -2.469 2.679 0.582 1.00 1.00 O ATOM 480 CB LEU A 31 -5.397 1.685 2.108 1.00 1.00 C ATOM 481 CG LEU A 31 -5.530 0.359 1.295 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.201 -0.355 1.088 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.491 -0.573 2.025 1.00 1.00 C ATOM 0 H LEU A 31 -6.627 3.406 0.740 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.174 3.406 2.287 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.853 1.451 3.023 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.402 1.986 2.403 1.00 1.00 H new ATOM 0 HG LEU A 31 -5.905 0.623 0.306 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.364 -1.269 0.516 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.519 0.297 0.543 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.768 -0.606 2.056 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.591 -1.503 1.465 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.103 -0.789 3.021 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.467 -0.095 2.112 1.00 1.00 H new ATOM 495 N THR A 32 -4.177 2.272 -0.813 1.00 1.00 N ATOM 496 CA THR A 32 -3.320 1.948 -1.952 1.00 1.00 C ATOM 497 C THR A 32 -2.607 3.202 -2.459 1.00 1.00 C ATOM 498 O THR A 32 -1.419 3.165 -2.772 1.00 1.00 O ATOM 499 CB THR A 32 -4.140 1.310 -3.090 1.00 1.00 C ATOM 500 OG1 THR A 32 -4.853 0.171 -2.586 1.00 1.00 O ATOM 501 CG2 THR A 32 -3.257 0.881 -4.250 1.00 1.00 C ATOM 0 H THR A 32 -5.176 2.234 -1.017 1.00 1.00 H new ATOM 0 HA THR A 32 -2.572 1.228 -1.618 1.00 1.00 H new ATOM 0 HB THR A 32 -4.839 2.060 -3.460 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.649 0.472 -2.100 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.873 0.436 -5.031 1.00 1.00 H new ATOM 0 HG22 THR A 32 -2.735 1.750 -4.650 1.00 1.00 H new ATOM 0 HG23 THR A 32 -2.529 0.149 -3.901 1.00 1.00 H new ATOM 509 N LEU A 33 -3.324 4.322 -2.513 1.00 1.00 N ATOM 510 CA LEU A 33 -2.724 5.581 -2.952 1.00 1.00 C ATOM 511 C LEU A 33 -1.641 6.016 -1.952 1.00 1.00 C ATOM 512 O LEU A 33 -0.645 6.627 -2.335 1.00 1.00 O ATOM 513 CB LEU A 33 -3.799 6.659 -3.128 1.00 1.00 C ATOM 514 CG LEU A 33 -3.332 7.981 -3.750 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.697 7.758 -5.117 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.506 8.942 -3.866 1.00 1.00 C ATOM 0 H LEU A 33 -4.310 4.385 -2.261 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.251 5.435 -3.923 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.596 6.250 -3.749 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.233 6.874 -2.151 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.574 8.414 -3.097 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.377 8.715 -5.530 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -1.834 7.100 -5.014 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.425 7.299 -5.786 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -4.167 9.879 -4.308 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.277 8.500 -4.498 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.916 9.136 -2.875 1.00 1.00 H new ATOM 528 N ARG A 34 -1.835 5.693 -0.667 1.00 1.00 N ATOM 529 CA ARG A 34 -0.824 5.996 0.349 1.00 1.00 C ATOM 530 C ARG A 34 0.429 5.160 0.063 1.00 1.00 C ATOM 531 O ARG A 34 1.537 5.690 0.003 1.00 1.00 O ATOM 532 CB ARG A 34 -1.335 5.703 1.771 1.00 1.00 C ATOM 533 CG ARG A 34 -0.266 5.872 2.851 1.00 1.00 C ATOM 534 CD ARG A 34 -0.807 5.618 4.263 1.00 1.00 C ATOM 535 NE ARG A 34 0.269 5.628 5.271 1.00 1.00 N ATOM 536 CZ ARG A 34 0.097 5.762 6.566 1.00 1.00 C ATOM 537 NH1 ARG A 34 -1.086 5.917 7.074 1.00 1.00 N ATOM 538 NH2 ARG A 34 1.130 5.742 7.352 1.00 1.00 N ATOM 0 H ARG A 34 -2.671 5.229 -0.311 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.593 7.060 0.300 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -2.171 6.367 1.992 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.719 4.683 1.808 1.00 1.00 H new ATOM 0 HG2 ARG A 34 0.557 5.185 2.653 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.141 6.882 2.798 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.546 6.380 4.512 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.320 4.657 4.288 1.00 1.00 H new ATOM 0 HE ARG A 34 1.226 5.522 4.935 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.904 5.937 6.465 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -1.199 6.019 8.083 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.065 5.623 6.962 1.00 1.00 H new ATOM 0 HH22 ARG A 34 1.007 5.845 8.359 1.00 1.00 H new ATOM 552 N ILE A 35 0.240 3.849 -0.138 1.00 1.00 N ATOM 553 CA ILE A 35 1.363 2.958 -0.458 1.00 1.00 C ATOM 554 C ILE A 35 2.037 3.429 -1.749 1.00 1.00 C ATOM 555 O ILE A 35 3.260 3.483 -1.841 1.00 1.00 O ATOM 556 CB ILE A 35 0.927 1.479 -0.634 1.00 1.00 C ATOM 557 CG1 ILE A 35 0.234 0.957 0.629 1.00 1.00 C ATOM 558 CG2 ILE A 35 2.133 0.608 -0.965 1.00 1.00 C ATOM 559 CD1 ILE A 35 -0.266 -0.472 0.511 1.00 1.00 C ATOM 0 H ILE A 35 -0.668 3.386 -0.086 1.00 1.00 H new ATOM 0 HA ILE A 35 2.053 3.002 0.385 1.00 1.00 H new ATOM 0 HB ILE A 35 0.217 1.432 -1.459 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.930 1.020 1.466 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -0.608 1.608 0.865 1.00 1.00 H new ATOM 0 HG21 ILE A 35 1.812 -0.427 -1.086 1.00 1.00 H new ATOM 0 HG22 ILE A 35 2.590 0.957 -1.891 1.00 1.00 H new ATOM 0 HG23 ILE A 35 2.860 0.670 -0.155 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -0.744 -0.768 1.445 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -0.987 -0.539 -0.303 1.00 1.00 H new ATOM 0 HD13 ILE A 35 0.574 -1.136 0.307 1.00 1.00 H new ATOM 571 N ASN A 36 1.214 3.800 -2.728 1.00 1.00 N ATOM 572 CA ASN A 36 1.701 4.287 -4.019 1.00 1.00 C ATOM 573 C ASN A 36 2.517 5.580 -3.877 1.00 1.00 C ATOM 574 O ASN A 36 3.617 5.687 -4.404 1.00 1.00 O ATOM 575 CB ASN A 36 0.527 4.552 -4.970 1.00 1.00 C ATOM 576 CG ASN A 36 0.992 4.974 -6.351 1.00 1.00 C ATOM 577 OD1 ASN A 36 2.040 4.557 -6.817 1.00 1.00 O ATOM 578 ND2 ASN A 36 0.215 5.808 -7.020 1.00 1.00 N ATOM 0 H ASN A 36 0.197 3.772 -2.651 1.00 1.00 H new ATOM 0 HA ASN A 36 2.348 3.509 -4.424 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.082 3.652 -5.053 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.110 5.330 -4.550 1.00 1.00 H new ATOM 0 HD21 ASN A 36 0.486 6.120 -7.952 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.655 6.139 -6.604 1.00 1.00 H new ATOM 585 N ARG A 37 1.994 6.547 -3.125 1.00 1.00 N ATOM 586 CA ARG A 37 2.679 7.832 -2.961 1.00 1.00 C ATOM 587 C ARG A 37 3.986 7.643 -2.194 1.00 1.00 C ATOM 588 O ARG A 37 4.965 8.358 -2.410 1.00 1.00 O ATOM 589 CB ARG A 37 1.764 8.833 -2.252 1.00 1.00 C ATOM 590 CG ARG A 37 2.315 10.250 -2.210 1.00 1.00 C ATOM 591 CD ARG A 37 2.620 10.778 -3.617 1.00 1.00 C ATOM 592 NE ARG A 37 1.439 10.745 -4.503 1.00 1.00 N ATOM 593 CZ ARG A 37 1.484 10.600 -5.813 1.00 1.00 C ATOM 594 NH1 ARG A 37 2.614 10.527 -6.437 1.00 1.00 N ATOM 595 NH2 ARG A 37 0.381 10.539 -6.493 1.00 1.00 N ATOM 0 H ARG A 37 1.109 6.469 -2.624 1.00 1.00 H new ATOM 0 HA ARG A 37 2.921 8.232 -3.946 1.00 1.00 H new ATOM 0 HB2 ARG A 37 0.797 8.845 -2.754 1.00 1.00 H new ATOM 0 HB3 ARG A 37 1.589 8.491 -1.232 1.00 1.00 H new ATOM 0 HG2 ARG A 37 1.595 10.907 -1.722 1.00 1.00 H new ATOM 0 HG3 ARG A 37 3.224 10.270 -1.608 1.00 1.00 H new ATOM 0 HD2 ARG A 37 2.988 11.802 -3.545 1.00 1.00 H new ATOM 0 HD3 ARG A 37 3.419 10.183 -4.060 1.00 1.00 H new ATOM 0 HE ARG A 37 0.521 10.841 -4.070 1.00 1.00 H new ATOM 0 HH11 ARG A 37 3.489 10.582 -5.916 1.00 1.00 H new ATOM 0 HH12 ARG A 37 2.631 10.415 -7.451 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -0.517 10.603 -6.014 1.00 1.00 H new ATOM 0 HH22 ARG A 37 0.412 10.427 -7.506 1.00 1.00 H new ATOM 609 N LEU A 38 3.988 6.649 -1.315 1.00 1.00 N ATOM 610 CA LEU A 38 5.158 6.304 -0.538 1.00 1.00 C ATOM 611 C LEU A 38 6.151 5.610 -1.473 1.00 1.00 C ATOM 612 O LEU A 38 7.352 5.856 -1.424 1.00 1.00 O ATOM 613 CB LEU A 38 4.707 5.422 0.636 1.00 1.00 C ATOM 614 CG LEU A 38 5.778 4.971 1.638 1.00 1.00 C ATOM 615 CD1 LEU A 38 5.135 4.684 2.988 1.00 1.00 C ATOM 616 CD2 LEU A 38 6.504 3.727 1.149 1.00 1.00 C ATOM 0 H LEU A 38 3.175 6.063 -1.125 1.00 1.00 H new ATOM 0 HA LEU A 38 5.659 7.175 -0.114 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.938 5.964 1.187 1.00 1.00 H new ATOM 0 HB3 LEU A 38 4.235 4.530 0.224 1.00 1.00 H new ATOM 0 HG LEU A 38 6.505 5.777 1.737 1.00 1.00 H new ATOM 0 HD11 LEU A 38 5.901 4.364 3.695 1.00 1.00 H new ATOM 0 HD12 LEU A 38 4.652 5.587 3.360 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.392 3.895 2.877 1.00 1.00 H new ATOM 0 HD21 LEU A 38 7.256 3.433 1.881 1.00 1.00 H new ATOM 0 HD22 LEU A 38 5.788 2.916 1.019 1.00 1.00 H new ATOM 0 HD23 LEU A 38 6.989 3.940 0.196 1.00 1.00 H new ATOM 628 N SER A 39 5.623 4.774 -2.363 1.00 1.00 N ATOM 629 CA SER A 39 6.445 4.101 -3.362 1.00 1.00 C ATOM 630 C SER A 39 7.051 5.142 -4.315 1.00 1.00 C ATOM 631 O SER A 39 8.202 5.026 -4.723 1.00 1.00 O ATOM 632 CB SER A 39 5.609 3.082 -4.148 1.00 1.00 C ATOM 633 OG SER A 39 5.042 2.109 -3.282 1.00 1.00 O ATOM 0 H SER A 39 4.630 4.547 -2.412 1.00 1.00 H new ATOM 0 HA SER A 39 7.249 3.566 -2.858 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.816 3.598 -4.689 1.00 1.00 H new ATOM 0 HB3 SER A 39 6.235 2.590 -4.892 1.00 1.00 H new ATOM 0 HG SER A 39 4.294 2.506 -2.788 1.00 1.00 H new ATOM 639 N GLU A 40 6.270 6.186 -4.638 1.00 1.00 N ATOM 640 CA GLU A 40 6.744 7.271 -5.517 1.00 1.00 C ATOM 641 C GLU A 40 7.834 8.076 -4.810 1.00 1.00 C ATOM 642 O GLU A 40 8.738 8.624 -5.437 1.00 1.00 O ATOM 643 CB GLU A 40 5.600 8.216 -5.897 1.00 1.00 C ATOM 644 CG GLU A 40 4.567 7.570 -6.800 1.00 1.00 C ATOM 645 CD GLU A 40 5.183 7.017 -8.078 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.929 7.756 -8.748 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.943 5.834 -8.409 1.00 1.00 O ATOM 0 H GLU A 40 5.313 6.303 -4.306 1.00 1.00 H new ATOM 0 HA GLU A 40 7.141 6.815 -6.424 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.110 8.567 -4.989 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.012 9.093 -6.396 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.069 6.764 -6.261 1.00 1.00 H new ATOM 0 HG3 GLU A 40 3.802 8.303 -7.056 1.00 1.00 H new ATOM 654 N HIS A 41 7.735 8.128 -3.484 1.00 1.00 N ATOM 655 CA HIS A 41 8.696 8.838 -2.662 1.00 1.00 C ATOM 656 C HIS A 41 10.024 8.077 -2.655 1.00 1.00 C ATOM 657 O HIS A 41 11.084 8.653 -2.877 1.00 1.00 O ATOM 658 CB HIS A 41 8.119 8.983 -1.252 1.00 1.00 C ATOM 659 CG HIS A 41 8.967 9.775 -0.303 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.075 11.149 -0.325 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.735 9.359 0.735 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.886 11.514 0.677 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.310 10.466 1.348 1.00 1.00 N ATOM 0 H HIS A 41 6.987 7.679 -2.956 1.00 1.00 H new ATOM 0 HA HIS A 41 8.888 9.833 -3.063 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.139 9.456 -1.323 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.964 7.988 -0.834 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.877 8.332 1.037 1.00 1.00 H new ATOM 0 HE1 HIS A 41 10.156 12.535 0.904 1.00 1.00 H new ATOM 0 HE2 HIS A 41 10.934 10.465 2.155 1.00 1.00 H new ATOM 671 N LEU A 42 9.952 6.766 -2.429 1.00 1.00 N ATOM 672 CA LEU A 42 11.146 5.924 -2.438 1.00 1.00 C ATOM 673 C LEU A 42 11.655 5.730 -3.888 1.00 1.00 C ATOM 674 O LEU A 42 12.746 5.217 -4.118 1.00 1.00 O ATOM 675 CB LEU A 42 10.856 4.563 -1.785 1.00 1.00 C ATOM 676 CG LEU A 42 10.879 4.504 -0.238 1.00 1.00 C ATOM 677 CD1 LEU A 42 12.248 4.862 0.315 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.818 5.400 0.390 1.00 1.00 C ATOM 0 H LEU A 42 9.083 6.266 -2.238 1.00 1.00 H new ATOM 0 HA LEU A 42 11.923 6.422 -1.858 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.875 4.228 -2.122 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.584 3.845 -2.162 1.00 1.00 H new ATOM 0 HG LEU A 42 10.651 3.472 0.029 1.00 1.00 H new ATOM 0 HD11 LEU A 42 12.226 4.810 1.404 1.00 1.00 H new ATOM 0 HD12 LEU A 42 12.990 4.160 -0.067 1.00 1.00 H new ATOM 0 HD13 LEU A 42 12.512 5.873 0.006 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.874 5.324 1.476 1.00 1.00 H new ATOM 0 HD22 LEU A 42 9.990 6.433 0.089 1.00 1.00 H new ATOM 0 HD23 LEU A 42 8.830 5.084 0.055 1.00 1.00 H new ATOM 690 N LYS A 43 10.830 6.130 -4.861 1.00 1.00 N ATOM 691 CA LYS A 43 11.195 6.073 -6.284 1.00 1.00 C ATOM 692 C LYS A 43 12.051 7.309 -6.603 1.00 1.00 C ATOM 693 O LYS A 43 12.677 7.425 -7.661 1.00 1.00 O ATOM 694 CB LYS A 43 9.915 6.013 -7.123 1.00 1.00 C ATOM 695 CG LYS A 43 10.121 5.940 -8.628 1.00 1.00 C ATOM 696 CD LYS A 43 8.785 5.829 -9.365 1.00 1.00 C ATOM 697 CE LYS A 43 8.062 4.517 -9.061 1.00 1.00 C ATOM 698 NZ LYS A 43 6.727 4.430 -9.730 1.00 1.00 N ATOM 0 H LYS A 43 9.896 6.501 -4.688 1.00 1.00 H new ATOM 0 HA LYS A 43 11.779 5.183 -6.519 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.337 5.143 -6.810 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.313 6.893 -6.899 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.654 6.828 -8.968 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.746 5.080 -8.871 1.00 1.00 H new ATOM 0 HD2 LYS A 43 8.147 6.667 -9.084 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.957 5.906 -10.439 1.00 1.00 H new ATOM 0 HE2 LYS A 43 8.682 3.681 -9.384 1.00 1.00 H new ATOM 0 HE3 LYS A 43 7.932 4.419 -7.983 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 6.544 3.446 -10.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 5.987 4.744 -9.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.721 5.039 -10.573 1.00 1.00 H new ATOM 712 N VAL A 44 12.048 8.236 -5.642 1.00 1.00 N ATOM 713 CA VAL A 44 12.858 9.439 -5.698 1.00 1.00 C ATOM 714 C VAL A 44 14.176 9.101 -5.005 1.00 1.00 C ATOM 715 O VAL A 44 15.251 9.590 -5.363 1.00 1.00 O ATOM 716 CB VAL A 44 12.157 10.626 -4.991 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.048 11.857 -4.965 1.00 1.00 C ATOM 718 CG2 VAL A 44 10.837 10.947 -5.674 1.00 1.00 C ATOM 0 H VAL A 44 11.477 8.165 -4.800 1.00 1.00 H new ATOM 0 HA VAL A 44 13.018 9.748 -6.731 1.00 1.00 H new ATOM 0 HB VAL A 44 11.959 10.330 -3.961 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.528 12.672 -4.462 1.00 1.00 H new ATOM 0 HG12 VAL A 44 13.969 11.629 -4.428 1.00 1.00 H new ATOM 0 HG13 VAL A 44 13.288 12.154 -5.986 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.358 11.783 -5.165 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.021 11.213 -6.715 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.184 10.075 -5.633 1.00 1.00 H new ATOM 728 N HIS A 45 14.054 8.232 -3.992 1.00 1.00 N ATOM 729 CA HIS A 45 15.194 7.721 -3.252 1.00 1.00 C ATOM 730 C HIS A 45 16.149 6.995 -4.214 1.00 1.00 C ATOM 731 O HIS A 45 15.761 6.580 -5.299 1.00 1.00 O ATOM 732 CB HIS A 45 14.708 6.826 -2.109 1.00 1.00 C ATOM 733 CG HIS A 45 14.345 7.604 -0.875 1.00 1.00 C ATOM 734 ND1 HIS A 45 14.912 7.398 0.364 1.00 1.00 N ATOM 735 CD2 HIS A 45 13.449 8.614 -0.708 1.00 1.00 C ATOM 736 CE1 HIS A 45 14.357 8.266 1.222 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.466 9.024 0.621 1.00 1.00 N ATOM 0 H HIS A 45 13.157 7.869 -3.670 1.00 1.00 H new ATOM 0 HA HIS A 45 15.754 8.540 -2.800 1.00 1.00 H new ATOM 0 HB2 HIS A 45 13.840 6.257 -2.443 1.00 1.00 H new ATOM 0 HB3 HIS A 45 15.487 6.104 -1.862 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.824 9.031 -1.484 1.00 1.00 H new ATOM 0 HE1 HIS A 45 14.609 8.334 2.270 1.00 1.00 H new ATOM 0 HE2 HIS A 45 12.902 9.762 1.043 1.00 1.00 H new ATOM 745 N LYS A 46 17.376 6.787 -3.783 1.00 1.00 N ATOM 746 CA LYS A 46 18.414 6.249 -4.668 1.00 1.00 C ATOM 747 C LYS A 46 18.196 4.823 -5.181 1.00 1.00 C ATOM 748 O LYS A 46 17.953 4.611 -6.363 1.00 1.00 O ATOM 749 CB LYS A 46 19.780 6.344 -3.982 1.00 1.00 C ATOM 750 CG LYS A 46 20.156 7.760 -3.571 1.00 1.00 C ATOM 751 CD LYS A 46 20.150 8.715 -4.758 1.00 1.00 C ATOM 752 CE LYS A 46 20.588 10.113 -4.346 1.00 1.00 C ATOM 753 NZ LYS A 46 20.451 11.090 -5.461 1.00 1.00 N ATOM 0 H LYS A 46 17.688 6.978 -2.831 1.00 1.00 H new ATOM 0 HA LYS A 46 18.362 6.874 -5.559 1.00 1.00 H new ATOM 0 HB2 LYS A 46 19.779 5.706 -3.098 1.00 1.00 H new ATOM 0 HB3 LYS A 46 20.544 5.955 -4.655 1.00 1.00 H new ATOM 0 HG2 LYS A 46 19.457 8.116 -2.814 1.00 1.00 H new ATOM 0 HG3 LYS A 46 21.145 7.755 -3.114 1.00 1.00 H new ATOM 0 HD2 LYS A 46 20.815 8.337 -5.534 1.00 1.00 H new ATOM 0 HD3 LYS A 46 19.149 8.757 -5.188 1.00 1.00 H new ATOM 0 HE2 LYS A 46 19.990 10.445 -3.497 1.00 1.00 H new ATOM 0 HE3 LYS A 46 21.626 10.085 -4.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 20.760 12.030 -5.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 21.041 10.787 -6.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 19.456 11.136 -5.762 1.00 1.00 H new ATOM 767 N LYS A 47 18.294 3.851 -4.304 1.00 1.00 N ATOM 768 CA LYS A 47 18.195 2.461 -4.723 1.00 1.00 C ATOM 769 C LYS A 47 17.669 1.597 -3.601 1.00 1.00 C ATOM 770 O LYS A 47 17.830 0.381 -3.610 1.00 1.00 O ATOM 771 CB LYS A 47 19.602 1.985 -5.087 1.00 1.00 C ATOM 772 CG LYS A 47 20.599 2.140 -3.940 1.00 1.00 C ATOM 773 CD LYS A 47 21.968 1.587 -4.307 1.00 1.00 C ATOM 774 CE LYS A 47 22.948 1.713 -3.149 1.00 1.00 C ATOM 775 NZ LYS A 47 24.275 1.115 -3.469 1.00 1.00 N ATOM 0 H LYS A 47 18.441 3.988 -3.304 1.00 1.00 H new ATOM 0 HA LYS A 47 17.512 2.384 -5.569 1.00 1.00 H new ATOM 0 HB2 LYS A 47 19.560 0.937 -5.385 1.00 1.00 H new ATOM 0 HB3 LYS A 47 19.958 2.548 -5.950 1.00 1.00 H new ATOM 0 HG2 LYS A 47 20.691 3.194 -3.677 1.00 1.00 H new ATOM 0 HG3 LYS A 47 20.222 1.623 -3.058 1.00 1.00 H new ATOM 0 HD2 LYS A 47 21.874 0.539 -4.593 1.00 1.00 H new ATOM 0 HD3 LYS A 47 22.357 2.121 -5.174 1.00 1.00 H new ATOM 0 HE2 LYS A 47 23.077 2.766 -2.897 1.00 1.00 H new ATOM 0 HE3 LYS A 47 22.533 1.223 -2.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 24.910 1.223 -2.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 24.157 0.104 -3.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 24.684 1.599 -4.293 1.00 1.00 H new ATOM 789 N ASP A 48 16.988 2.216 -2.669 1.00 1.00 N ATOM 790 CA ASP A 48 16.526 1.493 -1.508 1.00 1.00 C ATOM 791 C ASP A 48 15.051 1.694 -1.271 1.00 1.00 C ATOM 792 O ASP A 48 14.605 2.696 -0.715 1.00 1.00 O ATOM 793 CB ASP A 48 17.337 1.894 -0.277 1.00 1.00 C ATOM 794 CG ASP A 48 16.913 1.131 0.964 1.00 1.00 C ATOM 795 OD1 ASP A 48 17.461 0.036 1.201 1.00 1.00 O ATOM 796 OD2 ASP A 48 16.023 1.621 1.690 1.00 1.00 O ATOM 0 H ASP A 48 16.743 3.206 -2.689 1.00 1.00 H new ATOM 0 HA ASP A 48 16.677 0.430 -1.696 1.00 1.00 H new ATOM 0 HB2 ASP A 48 18.395 1.715 -0.467 1.00 1.00 H new ATOM 0 HB3 ASP A 48 17.221 2.963 -0.101 1.00 1.00 H new ATOM 801 N HIS A 49 14.299 0.762 -1.785 1.00 1.00 N ATOM 802 CA HIS A 49 12.875 0.745 -1.590 1.00 1.00 C ATOM 803 C HIS A 49 12.477 -0.668 -1.187 1.00 1.00 C ATOM 804 O HIS A 49 11.970 -1.444 -1.989 1.00 1.00 O ATOM 805 CB HIS A 49 12.126 1.206 -2.846 1.00 1.00 C ATOM 806 CG HIS A 49 10.629 1.229 -2.695 1.00 1.00 C ATOM 807 ND1 HIS A 49 9.758 1.302 -3.757 1.00 1.00 N ATOM 808 CD2 HIS A 49 9.849 1.167 -1.580 1.00 1.00 C ATOM 809 CE1 HIS A 49 8.511 1.277 -3.272 1.00 1.00 C ATOM 810 NE2 HIS A 49 8.512 1.196 -1.958 1.00 1.00 N ATOM 0 H HIS A 49 14.655 -0.008 -2.351 1.00 1.00 H new ATOM 0 HA HIS A 49 12.600 1.447 -0.803 1.00 1.00 H new ATOM 0 HB2 HIS A 49 12.469 2.205 -3.114 1.00 1.00 H new ATOM 0 HB3 HIS A 49 12.387 0.547 -3.674 1.00 1.00 H new ATOM 0 HD2 HIS A 49 10.212 1.105 -0.565 1.00 1.00 H new ATOM 0 HE1 HIS A 49 7.619 1.318 -3.880 1.00 1.00 H new ATOM 0 HE2 HIS A 49 7.699 1.162 -1.344 1.00 1.00 H new ATOM 818 N HIS A 50 12.804 -1.032 0.036 1.00 1.00 N ATOM 819 CA HIS A 50 12.449 -2.351 0.538 1.00 1.00 C ATOM 820 C HIS A 50 11.996 -2.248 1.986 1.00 1.00 C ATOM 821 O HIS A 50 11.922 -3.232 2.723 1.00 1.00 O ATOM 822 CB HIS A 50 13.604 -3.336 0.367 1.00 1.00 C ATOM 823 CG HIS A 50 13.154 -4.758 0.203 1.00 1.00 C ATOM 824 ND1 HIS A 50 12.962 -5.364 -1.019 1.00 1.00 N ATOM 825 CD2 HIS A 50 12.859 -5.700 1.135 1.00 1.00 C ATOM 826 CE1 HIS A 50 12.567 -6.624 -0.796 1.00 1.00 C ATOM 827 NE2 HIS A 50 12.490 -6.877 0.493 1.00 1.00 N ATOM 0 H HIS A 50 13.310 -0.443 0.698 1.00 1.00 H new ATOM 0 HA HIS A 50 11.617 -2.741 -0.049 1.00 1.00 H new ATOM 0 HB2 HIS A 50 14.193 -3.046 -0.503 1.00 1.00 H new ATOM 0 HB3 HIS A 50 14.261 -3.268 1.234 1.00 1.00 H new ATOM 0 HD2 HIS A 50 12.904 -5.558 2.205 1.00 1.00 H new ATOM 0 HE1 HIS A 50 12.341 -7.339 -1.573 1.00 1.00 H new ATOM 0 HE2 HIS A 50 12.216 -7.756 0.931 1.00 1.00 H new ATOM 835 N SER A 51 11.685 -1.031 2.393 1.00 1.00 N ATOM 836 CA SER A 51 11.187 -0.796 3.732 1.00 1.00 C ATOM 837 C SER A 51 9.680 -0.990 3.720 1.00 1.00 C ATOM 838 O SER A 51 8.911 -0.060 3.937 1.00 1.00 O ATOM 839 CB SER A 51 11.565 0.601 4.225 1.00 1.00 C ATOM 840 OG SER A 51 12.978 0.757 4.249 1.00 1.00 O ATOM 0 H SER A 51 11.769 -0.194 1.816 1.00 1.00 H new ATOM 0 HA SER A 51 11.642 -1.504 4.425 1.00 1.00 H new ATOM 0 HB2 SER A 51 11.121 1.355 3.574 1.00 1.00 H new ATOM 0 HB3 SER A 51 11.159 0.763 5.223 1.00 1.00 H new ATOM 0 HG SER A 51 13.202 1.657 4.565 1.00 1.00 H new ATOM 846 N HIS A 52 9.275 -2.221 3.416 1.00 1.00 N ATOM 847 CA HIS A 52 7.865 -2.576 3.351 1.00 1.00 C ATOM 848 C HIS A 52 7.388 -3.121 4.695 1.00 1.00 C ATOM 849 O HIS A 52 6.218 -3.471 4.865 1.00 1.00 O ATOM 850 CB HIS A 52 7.602 -3.569 2.209 1.00 1.00 C ATOM 851 CG HIS A 52 8.203 -4.936 2.384 1.00 1.00 C ATOM 852 ND1 HIS A 52 7.478 -6.100 2.271 1.00 1.00 N ATOM 853 CD2 HIS A 52 9.480 -5.320 2.653 1.00 1.00 C ATOM 854 CE1 HIS A 52 8.309 -7.129 2.472 1.00 1.00 C ATOM 855 NE2 HIS A 52 9.534 -6.709 2.708 1.00 1.00 N ATOM 0 H HIS A 52 9.910 -2.992 3.210 1.00 1.00 H new ATOM 0 HA HIS A 52 7.290 -1.675 3.136 1.00 1.00 H new ATOM 0 HB2 HIS A 52 6.524 -3.679 2.088 1.00 1.00 H new ATOM 0 HB3 HIS A 52 7.985 -3.140 1.283 1.00 1.00 H new ATOM 0 HD1 HIS A 52 6.480 -6.167 2.069 1.00 1.00 H new ATOM 0 HD2 HIS A 52 10.317 -4.654 2.800 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.014 -8.167 2.444 1.00 1.00 H new ATOM 863 N ARG A 53 8.312 -3.199 5.653 1.00 1.00 N ATOM 864 CA ARG A 53 7.960 -3.637 6.992 1.00 1.00 C ATOM 865 C ARG A 53 7.035 -2.568 7.560 1.00 1.00 C ATOM 866 O ARG A 53 7.345 -1.379 7.522 1.00 1.00 O ATOM 867 CB ARG A 53 9.191 -3.834 7.891 1.00 1.00 C ATOM 868 CG ARG A 53 10.092 -5.022 7.519 1.00 1.00 C ATOM 869 CD ARG A 53 10.898 -4.786 6.234 1.00 1.00 C ATOM 870 NE ARG A 53 11.816 -5.900 5.918 1.00 1.00 N ATOM 871 CZ ARG A 53 13.002 -5.768 5.354 1.00 1.00 C ATOM 872 NH1 ARG A 53 13.483 -4.598 5.074 1.00 1.00 N ATOM 873 NH2 ARG A 53 13.697 -6.824 5.057 1.00 1.00 N ATOM 0 H ARG A 53 9.297 -2.966 5.524 1.00 1.00 H new ATOM 0 HA ARG A 53 7.474 -4.612 6.952 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.789 -2.923 7.865 1.00 1.00 H new ATOM 0 HB3 ARG A 53 8.853 -3.964 8.919 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.780 -5.220 8.341 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.476 -5.913 7.396 1.00 1.00 H new ATOM 0 HD2 ARG A 53 10.210 -4.641 5.401 1.00 1.00 H new ATOM 0 HD3 ARG A 53 11.473 -3.866 6.336 1.00 1.00 H new ATOM 0 HE ARG A 53 11.509 -6.844 6.154 1.00 1.00 H new ATOM 0 HH11 ARG A 53 12.943 -3.760 5.289 1.00 1.00 H new ATOM 0 HH12 ARG A 53 14.401 -4.515 4.638 1.00 1.00 H new ATOM 0 HH21 ARG A 53 13.326 -7.752 5.260 1.00 1.00 H new ATOM 0 HH22 ARG A 53 14.614 -6.725 4.621 1.00 1.00 H new ATOM 887 N GLY A 54 5.902 -2.984 8.061 1.00 1.00 N ATOM 888 CA GLY A 54 4.925 -2.028 8.525 1.00 1.00 C ATOM 889 C GLY A 54 3.780 -1.927 7.525 1.00 1.00 C ATOM 890 O GLY A 54 2.611 -1.989 7.894 1.00 1.00 O ATOM 0 H GLY A 54 5.633 -3.963 8.159 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.542 -2.331 9.500 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.392 -1.052 8.655 1.00 1.00 H new ATOM 894 N LEU A 55 4.124 -1.864 6.233 1.00 1.00 N ATOM 895 CA LEU A 55 3.107 -1.764 5.174 1.00 1.00 C ATOM 896 C LEU A 55 2.538 -3.148 4.871 1.00 1.00 C ATOM 897 O LEU A 55 1.612 -3.309 4.072 1.00 1.00 O ATOM 898 CB LEU A 55 3.672 -1.151 3.885 1.00 1.00 C ATOM 899 CG LEU A 55 4.012 0.346 3.946 1.00 1.00 C ATOM 900 CD1 LEU A 55 5.246 0.614 4.802 1.00 1.00 C ATOM 901 CD2 LEU A 55 4.221 0.883 2.539 1.00 1.00 C ATOM 0 H LEU A 55 5.087 -1.880 5.896 1.00 1.00 H new ATOM 0 HA LEU A 55 2.320 -1.104 5.539 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.574 -1.698 3.611 1.00 1.00 H new ATOM 0 HB3 LEU A 55 2.949 -1.307 3.084 1.00 1.00 H new ATOM 0 HG LEU A 55 3.173 0.862 4.413 1.00 1.00 H new ATOM 0 HD11 LEU A 55 5.452 1.684 4.819 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.067 0.263 5.818 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.102 0.086 4.381 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.462 1.945 2.587 1.00 1.00 H new ATOM 0 HD22 LEU A 55 5.041 0.346 2.063 1.00 1.00 H new ATOM 0 HD23 LEU A 55 3.310 0.744 1.957 1.00 1.00 H new ATOM 913 N LEU A 56 3.095 -4.143 5.547 1.00 1.00 N ATOM 914 CA LEU A 56 2.673 -5.521 5.401 1.00 1.00 C ATOM 915 C LEU A 56 1.239 -5.677 5.897 1.00 1.00 C ATOM 916 O LEU A 56 0.458 -6.455 5.356 1.00 1.00 O ATOM 917 CB LEU A 56 3.616 -6.409 6.199 1.00 1.00 C ATOM 918 CG LEU A 56 5.024 -6.528 5.618 1.00 1.00 C ATOM 919 CD1 LEU A 56 5.898 -7.373 6.525 1.00 1.00 C ATOM 920 CD2 LEU A 56 4.976 -7.126 4.221 1.00 1.00 C ATOM 0 H LEU A 56 3.855 -4.012 6.214 1.00 1.00 H new ATOM 0 HA LEU A 56 2.705 -5.814 4.352 1.00 1.00 H new ATOM 0 HB2 LEU A 56 3.688 -6.019 7.214 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.181 -7.406 6.270 1.00 1.00 H new ATOM 0 HG LEU A 56 5.455 -5.529 5.550 1.00 1.00 H new ATOM 0 HD11 LEU A 56 6.898 -7.449 6.099 1.00 1.00 H new ATOM 0 HD12 LEU A 56 5.958 -6.908 7.509 1.00 1.00 H new ATOM 0 HD13 LEU A 56 5.467 -8.370 6.620 1.00 1.00 H new ATOM 0 HD21 LEU A 56 5.988 -7.203 3.823 1.00 1.00 H new ATOM 0 HD22 LEU A 56 4.527 -8.118 4.265 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.379 -6.486 3.572 1.00 1.00 H new ATOM 932 N MET A 57 0.904 -4.916 6.938 1.00 1.00 N ATOM 933 CA MET A 57 -0.446 -4.927 7.483 1.00 1.00 C ATOM 934 C MET A 57 -1.417 -4.382 6.437 1.00 1.00 C ATOM 935 O MET A 57 -2.499 -4.923 6.234 1.00 1.00 O ATOM 936 CB MET A 57 -0.537 -4.059 8.741 1.00 1.00 C ATOM 937 CG MET A 57 0.265 -4.576 9.922 1.00 1.00 C ATOM 938 SD MET A 57 0.042 -3.570 11.405 1.00 1.00 S ATOM 939 CE MET A 57 0.663 -1.978 10.859 1.00 1.00 C ATOM 0 H MET A 57 1.549 -4.287 7.417 1.00 1.00 H new ATOM 0 HA MET A 57 -0.702 -5.954 7.745 1.00 1.00 H new ATOM 0 HB2 MET A 57 -0.195 -3.053 8.498 1.00 1.00 H new ATOM 0 HB3 MET A 57 -1.583 -3.978 9.036 1.00 1.00 H new ATOM 0 HG2 MET A 57 -0.031 -5.603 10.136 1.00 1.00 H new ATOM 0 HG3 MET A 57 1.322 -4.597 9.657 1.00 1.00 H new ATOM 0 HE1 MET A 57 0.871 -1.351 11.726 1.00 1.00 H new ATOM 0 HE2 MET A 57 1.580 -2.122 10.287 1.00 1.00 H new ATOM 0 HE3 MET A 57 -0.084 -1.492 10.231 1.00 1.00 H new ATOM 949 N MET A 58 -0.992 -3.321 5.746 1.00 1.00 N ATOM 950 CA MET A 58 -1.818 -2.697 4.715 1.00 1.00 C ATOM 951 C MET A 58 -2.078 -3.688 3.577 1.00 1.00 C ATOM 952 O MET A 58 -3.199 -3.804 3.085 1.00 1.00 O ATOM 953 CB MET A 58 -1.147 -1.431 4.175 1.00 1.00 C ATOM 954 CG MET A 58 -0.829 -0.399 5.249 1.00 1.00 C ATOM 955 SD MET A 58 0.025 1.053 4.598 1.00 1.00 S ATOM 956 CE MET A 58 -1.264 1.801 3.603 1.00 1.00 C ATOM 0 H MET A 58 -0.083 -2.879 5.883 1.00 1.00 H new ATOM 0 HA MET A 58 -2.771 -2.414 5.161 1.00 1.00 H new ATOM 0 HB2 MET A 58 -0.224 -1.709 3.666 1.00 1.00 H new ATOM 0 HB3 MET A 58 -1.798 -0.976 3.428 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.756 -0.084 5.729 1.00 1.00 H new ATOM 0 HG3 MET A 58 -0.212 -0.862 6.019 1.00 1.00 H new ATOM 0 HE1 MET A 58 -0.883 2.710 3.137 1.00 1.00 H new ATOM 0 HE2 MET A 58 -1.579 1.101 2.829 1.00 1.00 H new ATOM 0 HE3 MET A 58 -2.116 2.048 4.237 1.00 1.00 H new ATOM 966 N VAL A 59 -1.029 -4.406 3.173 1.00 1.00 N ATOM 967 CA VAL A 59 -1.150 -5.419 2.123 1.00 1.00 C ATOM 968 C VAL A 59 -2.068 -6.554 2.599 1.00 1.00 C ATOM 969 O VAL A 59 -2.883 -7.074 1.833 1.00 1.00 O ATOM 970 CB VAL A 59 0.230 -5.989 1.716 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.087 -7.056 0.639 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.148 -4.875 1.234 1.00 1.00 C ATOM 0 H VAL A 59 -0.089 -4.306 3.555 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.583 -4.941 1.244 1.00 1.00 H new ATOM 0 HB VAL A 59 0.673 -6.452 2.598 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.072 -7.439 0.373 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.530 -7.872 1.015 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.384 -6.622 -0.243 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.113 -5.295 0.952 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.701 -4.383 0.370 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.288 -4.148 2.034 1.00 1.00 H new ATOM 982 N GLY A 60 -1.940 -6.920 3.875 1.00 1.00 N ATOM 983 CA GLY A 60 -2.792 -7.952 4.446 1.00 1.00 C ATOM 984 C GLY A 60 -4.251 -7.522 4.466 1.00 1.00 C ATOM 985 O GLY A 60 -5.155 -8.326 4.230 1.00 1.00 O ATOM 0 H GLY A 60 -1.261 -6.520 4.523 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.690 -8.870 3.868 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -2.464 -8.176 5.461 1.00 1.00 H new ATOM 989 N GLN A 61 -4.481 -6.240 4.743 1.00 1.00 N ATOM 990 CA GLN A 61 -5.834 -5.690 4.764 1.00 1.00 C ATOM 991 C GLN A 61 -6.420 -5.754 3.363 1.00 1.00 C ATOM 992 O GLN A 61 -7.610 -5.997 3.183 1.00 1.00 O ATOM 993 CB GLN A 61 -5.823 -4.246 5.254 1.00 1.00 C ATOM 994 CG GLN A 61 -5.401 -4.138 6.701 1.00 1.00 C ATOM 995 CD GLN A 61 -5.293 -2.708 7.187 1.00 1.00 C ATOM 996 OE1 GLN A 61 -5.508 -2.424 8.354 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.951 -1.797 6.298 1.00 1.00 N ATOM 0 H GLN A 61 -3.748 -5.563 4.956 1.00 1.00 H new ATOM 0 HA GLN A 61 -6.444 -6.279 5.449 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -5.145 -3.659 4.635 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -6.817 -3.816 5.134 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -6.119 -4.673 7.323 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -4.438 -4.632 6.829 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.778 -2.069 5.330 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.859 -0.821 6.578 1.00 1.00 H new ATOM 1006 N ARG A 62 -5.550 -5.563 2.370 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.947 -5.623 0.984 1.00 1.00 C ATOM 1008 C ARG A 62 -6.430 -7.032 0.654 1.00 1.00 C ATOM 1009 O ARG A 62 -7.431 -7.218 -0.031 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.753 -5.276 0.091 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.081 -5.262 -1.393 1.00 1.00 C ATOM 1012 CD ARG A 62 -3.847 -5.540 -2.265 1.00 1.00 C ATOM 1013 NE ARG A 62 -2.768 -4.553 -2.085 1.00 1.00 N ATOM 1014 CZ ARG A 62 -1.495 -4.797 -2.301 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -1.099 -5.972 -2.684 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -0.618 -3.856 -2.133 1.00 1.00 N ATOM 0 H ARG A 62 -4.560 -5.364 2.514 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.752 -4.909 0.809 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.369 -4.297 0.378 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.955 -5.997 0.271 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.846 -6.010 -1.601 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.502 -4.293 -1.661 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -3.463 -6.533 -2.032 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -4.147 -5.552 -3.313 1.00 1.00 H new ATOM 0 HE ARG A 62 -3.027 -3.617 -1.772 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -1.779 -6.720 -2.821 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -0.108 -6.148 -2.848 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -0.917 -2.928 -1.834 1.00 1.00 H new ATOM 0 HH22 ARG A 62 0.370 -4.044 -2.300 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.708 -8.022 1.182 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.035 -9.423 0.945 1.00 1.00 C ATOM 1032 C ARG A 63 -7.396 -9.789 1.538 1.00 1.00 C ATOM 1033 O ARG A 63 -8.165 -10.524 0.927 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.955 -10.337 1.529 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.570 -10.145 0.919 1.00 1.00 C ATOM 1036 CD ARG A 63 -3.563 -10.354 -0.602 1.00 1.00 C ATOM 1037 NE ARG A 63 -4.035 -11.691 -1.003 1.00 1.00 N ATOM 1038 CZ ARG A 63 -4.273 -12.060 -2.241 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -4.089 -11.240 -3.227 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -4.693 -13.265 -2.487 1.00 1.00 N ATOM 0 H ARG A 63 -4.892 -7.876 1.777 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.081 -9.567 -0.134 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.893 -10.165 2.604 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.260 -11.374 1.390 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -3.213 -9.141 1.146 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -2.873 -10.844 1.382 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -4.193 -9.597 -1.070 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -2.551 -10.204 -0.979 1.00 1.00 H new ATOM 0 HE ARG A 63 -4.188 -12.380 -0.266 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -3.755 -10.293 -3.047 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -4.278 -11.541 -4.183 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -4.837 -13.921 -1.720 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -4.879 -13.554 -3.447 1.00 1.00 H new ATOM 1054 N ARG A 64 -7.700 -9.279 2.726 1.00 1.00 N ATOM 1055 CA ARG A 64 -8.989 -9.579 3.337 1.00 1.00 C ATOM 1056 C ARG A 64 -10.096 -8.686 2.758 1.00 1.00 C ATOM 1057 O ARG A 64 -11.246 -9.107 2.662 1.00 1.00 O ATOM 1058 CB ARG A 64 -8.932 -9.467 4.864 1.00 1.00 C ATOM 1059 CG ARG A 64 -8.545 -8.096 5.389 1.00 1.00 C ATOM 1060 CD ARG A 64 -8.416 -8.105 6.913 1.00 1.00 C ATOM 1061 NE ARG A 64 -7.359 -9.014 7.384 1.00 1.00 N ATOM 1062 CZ ARG A 64 -6.914 -9.057 8.614 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -7.446 -8.314 9.531 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -5.946 -9.866 8.927 1.00 1.00 N ATOM 0 H ARG A 64 -7.090 -8.672 3.273 1.00 1.00 H new ATOM 0 HA ARG A 64 -9.230 -10.614 3.096 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -9.908 -9.734 5.270 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -8.218 -10.200 5.241 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -7.600 -7.786 4.943 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -9.294 -7.364 5.089 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -8.204 -7.095 7.262 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -9.368 -8.401 7.353 1.00 1.00 H new ATOM 0 HE ARG A 64 -6.945 -9.654 6.706 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -8.218 -7.689 9.297 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -7.093 -8.353 10.487 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -5.533 -10.467 8.214 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -5.599 -9.899 9.886 1.00 1.00 H new ATOM 1078 N LEU A 65 -9.752 -7.461 2.352 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.748 -6.563 1.760 1.00 1.00 C ATOM 1080 C LEU A 65 -11.101 -7.038 0.342 1.00 1.00 C ATOM 1081 O LEU A 65 -12.132 -6.663 -0.219 1.00 1.00 O ATOM 1082 CB LEU A 65 -10.286 -5.104 1.806 1.00 1.00 C ATOM 1083 CG LEU A 65 -10.227 -4.521 3.228 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -9.639 -3.123 3.221 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -11.610 -4.502 3.866 1.00 1.00 C ATOM 0 H LEU A 65 -8.811 -7.073 2.420 1.00 1.00 H new ATOM 0 HA LEU A 65 -11.661 -6.601 2.354 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -9.298 -5.030 1.351 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -10.962 -4.499 1.202 1.00 1.00 H new ATOM 0 HG LEU A 65 -9.578 -5.166 3.821 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -9.609 -2.736 4.239 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -8.628 -3.156 2.816 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.257 -2.472 2.603 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -11.541 -4.085 4.871 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -12.280 -3.888 3.264 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -12.000 -5.519 3.920 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.207 -7.838 -0.246 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.474 -8.496 -1.524 1.00 1.00 C ATOM 1099 C LEU A 66 -11.756 -9.308 -1.341 1.00 1.00 C ATOM 1100 O LEU A 66 -12.726 -9.182 -2.086 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.302 -9.443 -1.857 1.00 1.00 C ATOM 1102 CG LEU A 66 -9.565 -10.553 -2.892 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -9.885 -9.972 -4.258 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -8.356 -11.479 -2.984 1.00 1.00 C ATOM 0 H LEU A 66 -9.289 -8.045 0.146 1.00 1.00 H new ATOM 0 HA LEU A 66 -10.582 -7.773 -2.333 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -8.470 -8.837 -2.216 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.976 -9.916 -0.930 1.00 1.00 H new ATOM 0 HG LEU A 66 -10.432 -11.125 -2.560 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -10.065 -10.782 -4.965 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -10.775 -9.347 -4.188 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -9.045 -9.370 -4.603 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -8.551 -12.261 -3.718 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -7.481 -10.905 -3.289 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -8.171 -11.934 -2.011 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.763 -10.060 -0.244 1.00 1.00 N ATOM 1117 CA ARG A 67 -12.880 -10.917 0.130 1.00 1.00 C ATOM 1118 C ARG A 67 -13.986 -10.123 0.837 1.00 1.00 C ATOM 1119 O ARG A 67 -14.820 -10.676 1.552 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.362 -12.046 1.025 1.00 1.00 C ATOM 1121 CG ARG A 67 -13.373 -13.147 1.292 1.00 1.00 C ATOM 1122 CD ARG A 67 -12.874 -14.128 2.347 1.00 1.00 C ATOM 1123 NE ARG A 67 -13.885 -15.149 2.670 1.00 1.00 N ATOM 1124 CZ ARG A 67 -14.385 -15.363 3.863 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -14.029 -14.642 4.878 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -15.258 -16.307 4.027 1.00 1.00 N ATOM 0 H ARG A 67 -10.985 -10.091 0.415 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.320 -11.339 -0.773 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -11.479 -12.485 0.561 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -12.044 -11.622 1.978 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -14.313 -12.705 1.622 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -13.580 -13.683 0.366 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -11.967 -14.616 1.989 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -12.607 -13.583 3.252 1.00 1.00 H new ATOM 0 HE ARG A 67 -14.222 -15.735 1.906 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -13.348 -13.892 4.757 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -14.429 -14.824 5.798 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -15.550 -16.875 3.232 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -15.653 -16.481 4.951 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.985 -8.818 0.648 1.00 1.00 N ATOM 1141 CA TYR A 68 -15.019 -7.982 1.230 1.00 1.00 C ATOM 1142 C TYR A 68 -15.637 -7.106 0.148 1.00 1.00 C ATOM 1143 O TYR A 68 -16.846 -7.137 -0.075 1.00 1.00 O ATOM 1144 CB TYR A 68 -14.485 -7.128 2.375 1.00 1.00 C ATOM 1145 CG TYR A 68 -15.580 -6.348 3.051 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -16.509 -6.990 3.861 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -15.713 -4.983 2.851 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -17.532 -6.286 4.464 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -16.729 -4.273 3.453 1.00 1.00 C ATOM 1150 CZ TYR A 68 -17.640 -4.928 4.251 1.00 1.00 C ATOM 1151 OH TYR A 68 -18.653 -4.216 4.844 1.00 1.00 O ATOM 0 H TYR A 68 -13.286 -8.316 0.101 1.00 1.00 H new ATOM 0 HA TYR A 68 -15.785 -8.634 1.650 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -13.991 -7.768 3.106 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -13.731 -6.439 1.993 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -16.429 -8.055 4.021 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -15.010 -4.468 2.214 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -18.243 -6.795 5.098 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -16.810 -3.207 3.300 1.00 1.00 H new ATOM 0 HH TYR A 68 -18.582 -3.272 4.590 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.794 -6.354 -0.549 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.256 -5.494 -1.635 1.00 1.00 C ATOM 1163 C LEU A 69 -15.849 -6.341 -2.752 1.00 1.00 C ATOM 1164 O LEU A 69 -16.938 -6.079 -3.241 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.105 -4.673 -2.209 1.00 1.00 C ATOM 1166 CG LEU A 69 -13.399 -3.742 -1.228 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -12.282 -2.997 -1.935 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -14.382 -2.761 -0.613 1.00 1.00 C ATOM 0 H LEU A 69 -13.788 -6.321 -0.383 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.011 -4.821 -1.229 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -13.367 -5.359 -2.625 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.487 -4.075 -3.037 1.00 1.00 H new ATOM 0 HG LEU A 69 -12.972 -4.343 -0.425 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -11.783 -2.334 -1.228 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -11.562 -3.712 -2.333 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -12.698 -2.408 -2.753 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -13.856 -2.107 0.083 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -14.838 -2.161 -1.400 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -15.158 -3.310 -0.080 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.129 -7.386 -3.126 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.587 -8.281 -4.189 1.00 1.00 C ATOM 1182 C GLN A 70 -16.748 -9.123 -3.705 1.00 1.00 C ATOM 1183 O GLN A 70 -17.574 -9.578 -4.486 1.00 1.00 O ATOM 1184 CB GLN A 70 -14.456 -9.213 -4.618 1.00 1.00 C ATOM 1185 CG GLN A 70 -14.791 -10.057 -5.836 1.00 1.00 C ATOM 1186 CD GLN A 70 -13.722 -11.090 -6.133 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -13.037 -11.568 -5.243 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -13.567 -11.441 -7.392 1.00 1.00 N ATOM 0 H GLN A 70 -14.230 -7.639 -2.716 1.00 1.00 H new ATOM 0 HA GLN A 70 -15.903 -7.669 -5.033 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -13.568 -8.618 -4.832 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -14.205 -9.873 -3.787 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -15.744 -10.560 -5.675 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -14.916 -9.407 -6.702 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -14.155 -11.024 -8.114 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -12.859 -12.130 -7.646 1.00 1.00 H new ATOM 1197 N ARG A 71 -16.813 -9.277 -2.400 1.00 1.00 N ATOM 1198 CA ARG A 71 -17.831 -10.093 -1.760 1.00 1.00 C ATOM 1199 C ARG A 71 -19.219 -9.458 -1.813 1.00 1.00 C ATOM 1200 O ARG A 71 -20.215 -10.142 -2.021 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.426 -10.328 -0.307 1.00 1.00 C ATOM 1202 CG ARG A 71 -18.308 -11.314 0.440 1.00 1.00 C ATOM 1203 CD ARG A 71 -17.843 -11.486 1.888 1.00 1.00 C ATOM 1204 NE ARG A 71 -18.614 -12.509 2.615 1.00 1.00 N ATOM 1205 CZ ARG A 71 -18.536 -12.722 3.910 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -17.763 -11.998 4.656 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -19.248 -13.659 4.456 1.00 1.00 N ATOM 0 H ARG A 71 -16.161 -8.840 -1.748 1.00 1.00 H new ATOM 0 HA ARG A 71 -17.896 -11.035 -2.305 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.398 -10.689 -0.283 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.441 -9.374 0.220 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.341 -10.965 0.426 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -18.290 -12.279 -0.067 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.788 -11.758 1.896 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.930 -10.533 2.409 1.00 1.00 H new ATOM 0 HE ARG A 71 -19.253 -13.093 2.076 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -17.205 -11.252 4.240 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -17.712 -12.174 5.659 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -19.868 -14.230 3.881 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -19.188 -13.825 5.461 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.283 -8.155 -1.638 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.571 -7.460 -1.646 1.00 1.00 C ATOM 1223 C GLU A 72 -21.076 -7.278 -3.089 1.00 1.00 C ATOM 1224 O GLU A 72 -22.281 -7.214 -3.355 1.00 1.00 O ATOM 1225 CB GLU A 72 -20.421 -6.120 -0.918 1.00 1.00 C ATOM 1226 CG GLU A 72 -21.638 -5.218 -1.026 1.00 1.00 C ATOM 1227 CD GLU A 72 -21.670 -4.148 0.048 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -21.086 -3.067 -0.173 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -22.281 -4.391 1.112 1.00 1.00 O ATOM 0 H GLU A 72 -18.473 -7.553 -1.489 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.318 -8.055 -1.121 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -20.216 -6.312 0.135 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -19.555 -5.594 -1.321 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -21.647 -4.743 -2.007 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -22.542 -5.824 -0.957 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.121 -7.277 -4.009 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.367 -7.123 -5.425 1.00 1.00 C ATOM 1238 C ASP A 73 -19.031 -7.296 -6.148 1.00 1.00 C ATOM 1239 O ASP A 73 -18.120 -6.470 -6.013 1.00 1.00 O ATOM 1240 CB ASP A 73 -20.981 -5.763 -5.743 1.00 1.00 C ATOM 1241 CG ASP A 73 -21.336 -5.640 -7.207 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -22.462 -6.013 -7.584 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -20.475 -5.178 -7.982 1.00 1.00 O ATOM 0 H ASP A 73 -19.133 -7.386 -3.780 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.084 -7.873 -5.758 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.876 -5.617 -5.138 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.280 -4.974 -5.471 1.00 1.00 H new ATOM 1248 N PRO A 74 -18.877 -8.391 -6.895 1.00 1.00 N ATOM 1249 CA PRO A 74 -17.631 -8.687 -7.609 1.00 1.00 C ATOM 1250 C PRO A 74 -17.222 -7.589 -8.584 1.00 1.00 C ATOM 1251 O PRO A 74 -16.031 -7.337 -8.786 1.00 1.00 O ATOM 1252 CB PRO A 74 -17.952 -9.967 -8.377 1.00 1.00 C ATOM 1253 CG PRO A 74 -19.093 -10.578 -7.642 1.00 1.00 C ATOM 1254 CD PRO A 74 -19.900 -9.425 -7.117 1.00 1.00 C ATOM 0 HA PRO A 74 -16.794 -8.776 -6.916 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -18.219 -9.751 -9.412 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -17.094 -10.638 -8.403 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -19.691 -11.207 -8.301 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -18.741 -11.212 -6.829 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -20.656 -9.100 -7.832 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -20.423 -9.682 -6.196 1.00 1.00 H new ATOM 1262 N GLU A 75 -18.212 -6.917 -9.151 1.00 1.00 N ATOM 1263 CA GLU A 75 -17.962 -5.863 -10.118 1.00 1.00 C ATOM 1264 C GLU A 75 -17.328 -4.666 -9.416 1.00 1.00 C ATOM 1265 O GLU A 75 -16.365 -4.075 -9.906 1.00 1.00 O ATOM 1266 CB GLU A 75 -19.271 -5.471 -10.803 1.00 1.00 C ATOM 1267 CG GLU A 75 -19.104 -4.489 -11.950 1.00 1.00 C ATOM 1268 CD GLU A 75 -18.380 -5.093 -13.140 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -19.017 -5.854 -13.900 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -17.174 -4.805 -13.310 1.00 1.00 O ATOM 0 H GLU A 75 -19.199 -7.085 -8.956 1.00 1.00 H new ATOM 0 HA GLU A 75 -17.271 -6.218 -10.882 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -19.755 -6.372 -11.179 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -19.940 -5.035 -10.061 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -20.086 -4.138 -12.268 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -18.552 -3.617 -11.599 1.00 1.00 H new ATOM 1277 N ARG A 76 -17.859 -4.336 -8.241 1.00 1.00 N ATOM 1278 CA ARG A 76 -17.327 -3.234 -7.444 1.00 1.00 C ATOM 1279 C ARG A 76 -15.848 -3.460 -7.105 1.00 1.00 C ATOM 1280 O ARG A 76 -15.072 -2.514 -7.084 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.120 -3.044 -6.145 1.00 1.00 C ATOM 1282 CG ARG A 76 -19.569 -2.614 -6.350 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.688 -1.203 -6.935 1.00 1.00 C ATOM 1284 NE ARG A 76 -19.258 -0.164 -5.989 1.00 1.00 N ATOM 1285 CZ ARG A 76 -19.789 1.023 -5.882 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.707 1.434 -6.708 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -19.368 1.811 -4.947 1.00 1.00 N ATOM 0 H ARG A 76 -18.655 -4.815 -7.821 1.00 1.00 H new ATOM 0 HA ARG A 76 -17.423 -2.332 -8.049 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.107 -3.979 -5.585 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -17.615 -2.298 -5.531 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -20.063 -3.322 -7.015 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -20.094 -2.653 -5.396 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -19.086 -1.137 -7.841 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.722 -1.020 -7.226 1.00 1.00 H new ATOM 0 HE ARG A 76 -18.482 -0.389 -5.366 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -21.027 0.824 -7.460 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -21.107 2.367 -6.603 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -18.634 1.500 -4.310 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -19.770 2.743 -4.846 1.00 1.00 H new ATOM 1301 N TYR A 77 -15.441 -4.711 -6.869 1.00 1.00 N ATOM 1302 CA TYR A 77 -14.026 -4.979 -6.555 1.00 1.00 C ATOM 1303 C TYR A 77 -13.161 -4.623 -7.745 1.00 1.00 C ATOM 1304 O TYR A 77 -12.168 -3.903 -7.627 1.00 1.00 O ATOM 1305 CB TYR A 77 -13.760 -6.461 -6.249 1.00 1.00 C ATOM 1306 CG TYR A 77 -12.276 -6.805 -6.306 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -11.392 -6.303 -5.357 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -11.756 -7.595 -7.330 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -10.036 -6.581 -5.424 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -10.401 -7.869 -7.405 1.00 1.00 C ATOM 1311 CZ TYR A 77 -9.547 -7.362 -6.452 1.00 1.00 C ATOM 1312 OH TYR A 77 -8.199 -7.630 -6.538 1.00 1.00 O ATOM 0 H TYR A 77 -16.045 -5.533 -6.887 1.00 1.00 H new ATOM 0 HA TYR A 77 -13.790 -4.378 -5.677 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -14.149 -6.701 -5.259 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -14.302 -7.080 -6.963 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -11.769 -5.686 -4.554 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -12.422 -8.000 -8.078 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -9.364 -6.188 -4.675 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -10.015 -8.479 -8.209 1.00 1.00 H new ATOM 0 HH TYR A 77 -8.027 -8.195 -7.320 1.00 1.00 H new ATOM 1322 N ARG A 78 -13.581 -5.132 -8.898 1.00 1.00 N ATOM 1323 CA ARG A 78 -12.866 -4.954 -10.135 1.00 1.00 C ATOM 1324 C ARG A 78 -12.823 -3.501 -10.542 1.00 1.00 C ATOM 1325 O ARG A 78 -11.809 -3.017 -11.022 1.00 1.00 O ATOM 1326 CB ARG A 78 -13.530 -5.788 -11.220 1.00 1.00 C ATOM 1327 CG ARG A 78 -13.600 -7.274 -10.891 1.00 1.00 C ATOM 1328 CD ARG A 78 -12.210 -7.884 -10.661 1.00 1.00 C ATOM 1329 NE ARG A 78 -11.338 -7.781 -11.840 1.00 1.00 N ATOM 1330 CZ ARG A 78 -10.113 -8.253 -11.913 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -9.555 -8.848 -10.907 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -9.434 -8.090 -13.003 1.00 1.00 N ATOM 0 H ARG A 78 -14.435 -5.682 -8.990 1.00 1.00 H new ATOM 0 HA ARG A 78 -11.837 -5.285 -9.994 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -14.540 -5.414 -11.387 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -12.983 -5.657 -12.153 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -14.210 -7.418 -9.999 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -14.096 -7.802 -11.706 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -11.734 -7.383 -9.818 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.320 -8.933 -10.387 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.711 -7.308 -12.663 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.067 -8.959 -10.032 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -8.603 -9.205 -10.990 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -9.850 -7.599 -13.795 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -8.483 -8.452 -13.070 1.00 1.00 H new ATOM 1346 N ALA A 79 -13.914 -2.796 -10.343 1.00 1.00 N ATOM 1347 CA ALA A 79 -13.919 -1.400 -10.697 1.00 1.00 C ATOM 1348 C ALA A 79 -13.084 -0.609 -9.698 1.00 1.00 C ATOM 1349 O ALA A 79 -12.442 0.360 -10.059 1.00 1.00 O ATOM 1350 CB ALA A 79 -15.327 -0.859 -10.814 1.00 1.00 C ATOM 0 H ALA A 79 -14.784 -3.155 -9.950 1.00 1.00 H new ATOM 0 HA ALA A 79 -13.466 -1.289 -11.682 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -15.290 0.197 -11.082 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -15.866 -1.411 -11.584 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -15.841 -0.973 -9.860 1.00 1.00 H new ATOM 1356 N LEU A 80 -13.056 -1.048 -8.447 1.00 1.00 N ATOM 1357 CA LEU A 80 -12.258 -0.375 -7.439 1.00 1.00 C ATOM 1358 C LEU A 80 -10.764 -0.501 -7.773 1.00 1.00 C ATOM 1359 O LEU A 80 -9.980 0.404 -7.493 1.00 1.00 O ATOM 1360 CB LEU A 80 -12.587 -0.955 -6.059 1.00 1.00 C ATOM 1361 CG LEU A 80 -11.921 -0.304 -4.832 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -10.592 -0.966 -4.516 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -11.743 1.198 -5.012 1.00 1.00 C ATOM 0 H LEU A 80 -13.573 -1.860 -8.111 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.497 0.688 -7.426 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -13.667 -0.902 -5.922 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -12.318 -2.011 -6.066 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.591 -0.456 -3.986 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.144 -0.486 -3.646 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -10.753 -2.023 -4.305 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.923 -0.865 -5.370 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.270 1.617 -4.124 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -11.115 1.388 -5.882 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.717 1.665 -5.159 1.00 1.00 H new ATOM 1375 N ILE A 81 -10.362 -1.589 -8.425 1.00 1.00 N ATOM 1376 CA ILE A 81 -8.952 -1.729 -8.760 1.00 1.00 C ATOM 1377 C ILE A 81 -8.632 -0.838 -9.947 1.00 1.00 C ATOM 1378 O ILE A 81 -7.514 -0.349 -10.106 1.00 1.00 O ATOM 1379 CB ILE A 81 -8.484 -3.196 -8.939 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -9.173 -3.964 -10.080 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -8.741 -3.911 -7.628 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -8.598 -3.716 -11.460 1.00 1.00 C ATOM 0 H ILE A 81 -10.965 -2.356 -8.721 1.00 1.00 H new ATOM 0 HA ILE A 81 -8.367 -1.391 -7.904 1.00 1.00 H new ATOM 0 HB ILE A 81 -7.429 -3.168 -9.213 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.115 -5.031 -9.866 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -10.230 -3.698 -10.090 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -8.424 -4.951 -7.712 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -8.179 -3.424 -6.831 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.805 -3.874 -7.396 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -9.150 -4.301 -12.195 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.681 -2.657 -11.704 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -7.549 -4.011 -11.475 1.00 1.00 H new ATOM 1394 N GLU A 82 -9.640 -0.607 -10.764 1.00 1.00 N ATOM 1395 CA GLU A 82 -9.511 0.308 -11.869 1.00 1.00 C ATOM 1396 C GLU A 82 -9.589 1.751 -11.318 1.00 1.00 C ATOM 1397 O GLU A 82 -8.913 2.647 -11.801 1.00 1.00 O ATOM 1398 CB GLU A 82 -10.617 0.047 -12.890 1.00 1.00 C ATOM 1399 CG GLU A 82 -10.237 0.431 -14.308 1.00 1.00 C ATOM 1400 CD GLU A 82 -9.137 -0.456 -14.866 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -9.458 -1.532 -15.426 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -7.953 -0.098 -14.722 1.00 1.00 O ATOM 0 H GLU A 82 -10.558 -1.044 -10.679 1.00 1.00 H new ATOM 0 HA GLU A 82 -8.555 0.167 -12.373 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -10.879 -1.011 -12.867 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -11.508 0.603 -12.598 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -11.116 0.364 -14.949 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -9.908 1.470 -14.326 1.00 1.00 H new ATOM 1409 N LYS A 83 -10.395 1.941 -10.257 1.00 1.00 N ATOM 1410 CA LYS A 83 -10.565 3.262 -9.611 1.00 1.00 C ATOM 1411 C LYS A 83 -9.274 3.742 -8.950 1.00 1.00 C ATOM 1412 O LYS A 83 -8.871 4.887 -9.125 1.00 1.00 O ATOM 1413 CB LYS A 83 -11.649 3.236 -8.523 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.060 2.978 -9.019 1.00 1.00 C ATOM 1415 CD LYS A 83 -14.035 2.920 -7.852 1.00 1.00 C ATOM 1416 CE LYS A 83 -15.439 2.542 -8.288 1.00 1.00 C ATOM 1417 NZ LYS A 83 -16.380 2.522 -7.134 1.00 1.00 N ATOM 0 H LYS A 83 -10.942 1.196 -9.826 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.855 3.940 -10.414 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -11.391 2.467 -7.795 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.635 4.191 -7.997 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.358 3.766 -9.710 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -13.091 2.040 -9.573 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.678 2.196 -7.120 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.061 3.890 -7.355 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.793 3.252 -9.036 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -15.422 1.561 -8.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -17.277 2.084 -7.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -15.963 1.972 -6.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -16.557 3.495 -6.814 1.00 1.00 H new ATOM 1431 N LEU A 84 -8.632 2.885 -8.159 1.00 1.00 N ATOM 1432 CA LEU A 84 -7.397 3.308 -7.506 1.00 1.00 C ATOM 1433 C LEU A 84 -6.201 3.199 -8.452 1.00 1.00 C ATOM 1434 O LEU A 84 -5.164 3.810 -8.224 1.00 1.00 O ATOM 1435 CB LEU A 84 -7.155 2.568 -6.179 1.00 1.00 C ATOM 1436 CG LEU A 84 -7.376 1.045 -6.159 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -6.271 0.307 -6.899 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -7.459 0.560 -4.718 1.00 1.00 C ATOM 0 H LEU A 84 -8.931 1.930 -7.960 1.00 1.00 H new ATOM 0 HA LEU A 84 -7.514 4.361 -7.251 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -6.128 2.762 -5.869 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -7.805 3.011 -5.424 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.313 0.831 -6.673 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -6.462 -0.765 -6.863 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -6.246 0.636 -7.938 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -5.312 0.521 -6.427 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -7.616 -0.519 -4.706 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.530 0.798 -4.200 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -8.291 1.053 -4.215 1.00 1.00 H new ATOM 1450 N GLY A 85 -6.347 2.422 -9.513 1.00 1.00 N ATOM 1451 CA GLY A 85 -5.279 2.310 -10.481 1.00 1.00 C ATOM 1452 C GLY A 85 -4.301 1.195 -10.181 1.00 1.00 C ATOM 1453 O GLY A 85 -3.110 1.424 -9.989 1.00 1.00 O ATOM 0 H GLY A 85 -7.180 1.871 -9.720 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -5.711 2.147 -11.468 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -4.737 3.255 -10.522 1.00 1.00 H new ATOM 1457 N ILE A 86 -4.812 -0.018 -10.106 1.00 1.00 N ATOM 1458 CA ILE A 86 -3.974 -1.179 -9.879 1.00 1.00 C ATOM 1459 C ILE A 86 -3.443 -1.647 -11.242 1.00 1.00 C ATOM 1460 O ILE A 86 -2.363 -2.234 -11.357 1.00 1.00 O ATOM 1461 CB ILE A 86 -4.761 -2.296 -9.137 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -4.162 -2.545 -7.738 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -4.865 -3.592 -9.930 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -2.716 -3.002 -7.729 1.00 1.00 C ATOM 0 H ILE A 86 -5.806 -0.226 -10.199 1.00 1.00 H new ATOM 0 HA ILE A 86 -3.133 -0.926 -9.233 1.00 1.00 H new ATOM 0 HB ILE A 86 -5.782 -1.932 -9.025 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -4.240 -1.626 -7.158 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -4.767 -3.295 -7.229 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -5.426 -4.327 -9.353 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -5.378 -3.402 -10.873 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -3.865 -3.976 -10.132 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -2.387 -3.150 -6.700 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -2.628 -3.940 -8.276 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -2.092 -2.245 -8.204 1.00 1.00 H new ATOM 1476 N ARG A 87 -4.185 -1.342 -12.315 1.00 1.00 N ATOM 1477 CA ARG A 87 -3.791 -1.707 -13.719 1.00 1.00 C ATOM 1478 C ARG A 87 -3.086 -0.526 -14.405 1.00 1.00 C ATOM 1479 O ARG A 87 -2.346 -0.606 -15.359 1.00 1.00 O ATOM 1480 CB ARG A 87 -5.042 -1.970 -14.515 1.00 1.00 C ATOM 1481 CG ARG A 87 -5.695 -3.289 -14.229 1.00 1.00 C ATOM 1482 CD ARG A 87 -6.940 -3.440 -15.086 1.00 1.00 C ATOM 1483 NE ARG A 87 -7.439 -4.817 -15.133 1.00 1.00 N ATOM 1484 CZ ARG A 87 -8.671 -5.128 -15.428 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -9.579 -4.209 -15.541 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -8.996 -6.376 -15.590 1.00 1.00 N ATOM 0 H ARG A 87 -5.071 -0.840 -12.256 1.00 1.00 H new ATOM 0 HA ARG A 87 -3.133 -2.575 -13.677 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -5.759 -1.173 -14.316 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -4.799 -1.922 -15.576 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -4.999 -4.102 -14.435 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -5.958 -3.354 -13.173 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -7.723 -2.789 -14.698 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -6.720 -3.104 -16.099 1.00 1.00 H new ATOM 0 HE ARG A 87 -6.788 -5.573 -14.924 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -9.333 -3.229 -15.399 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -10.539 -4.466 -15.772 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -8.290 -7.105 -15.486 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -9.957 -6.627 -15.821 1.00 1.00 H new ATOM 1500 N GLY A 88 -3.439 0.563 -13.684 1.00 1.00 N ATOM 1501 CA GLY A 88 -3.154 1.978 -13.904 1.00 1.00 C ATOM 1502 C GLY A 88 -4.051 2.700 -14.855 1.00 1.00 C ATOM 1503 O GLY A 88 -4.127 2.302 -16.064 1.00 1.00 O ATOM 1504 OXT GLY A 88 -4.498 3.766 -14.433 1.00 1.00 O ATOM 0 H GLY A 88 -3.995 0.444 -12.837 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -3.197 2.488 -12.942 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -2.130 2.067 -14.267 1.00 1.00 H new TER 1508 GLY A 88