USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 46:sc= 0.136 USER MOD Set 1.2: A 34 GLN : amide:sc= 0 X(o=0.14,f=0.14) USER MOD Single : A 1 GLY N :NH3+ 173:sc= 1.29 (180deg=1.19) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 7 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00997 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 13 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.3!) USER MOD Single : A 17 LYS NZ :NH3+ -122:sc= 1.33 (180deg=-2.53!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.828 USER MOD Single : A 24 SER OG : rot 66:sc= 0.639 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.33 F(o=-3.8!,f=-1.3) USER MOD Single : A 33 TYR OH : rot 145:sc= 0.0285 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -9.76! C(o=-9.8!,f=-14!) USER MOD Single : A 40 GLN :FLIP amide:sc= -2.68! C(o=-5.5!,f=-2.7!) USER MOD Single : A 44 SER OG : rot 81:sc= 0.288 USER MOD Single : A 59 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.0964 K(o=-0.096,f=-3.6!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.441 F(o=-2.8!,f=-0.44) USER MOD Single : A 67 MET CE :methyl -151:sc= -0.731 (180deg=-1.16) USER MOD Single : A 70 HIS : +bothHN:sc= -1.13! C(o=-1.1!,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ -131:sc= 1.14 (180deg=0.452) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -134:sc= -1.14 (180deg=-3.52!) USER MOD Single : A 86 THR OG1 : rot -72:sc= 0.224 USER MOD Single : A 90 GLN : amide:sc= 0.886 K(o=0.89,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.0749) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 56:sc= 0.0575 USER MOD Single : A 98 GLN : amide:sc= -0.184 K(o=-0.18,f=-1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.368 3.679 -13.282 1.00 0.00 N ATOM 2 CA GLY A 1 17.347 3.524 -14.388 1.00 0.00 C ATOM 3 C GLY A 1 18.579 2.757 -13.956 1.00 0.00 C ATOM 4 O GLY A 1 18.508 1.920 -13.055 1.00 0.00 O ATOM 0 H1 GLY A 1 15.598 4.308 -13.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.976 2.749 -13.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.843 4.089 -12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.872 3.006 -15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.642 4.509 -14.751 1.00 0.00 H new ATOM 10 N SER A 2 19.706 3.036 -14.600 1.00 0.00 N ATOM 11 CA SER A 2 20.977 2.447 -14.212 1.00 0.00 C ATOM 12 C SER A 2 21.523 3.215 -13.012 1.00 0.00 C ATOM 13 O SER A 2 22.273 4.179 -13.165 1.00 0.00 O ATOM 14 CB SER A 2 21.966 2.505 -15.381 1.00 0.00 C ATOM 15 OG SER A 2 21.400 1.946 -16.557 1.00 0.00 O ATOM 0 H SER A 2 19.763 3.670 -15.397 1.00 0.00 H new ATOM 0 HA SER A 2 20.834 1.400 -13.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.253 3.540 -15.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.876 1.965 -15.119 1.00 0.00 H new ATOM 0 HG SER A 2 22.050 1.996 -17.289 1.00 0.00 H new ATOM 21 N GLU A 3 21.125 2.798 -11.823 1.00 0.00 N ATOM 22 CA GLU A 3 21.386 3.568 -10.619 1.00 0.00 C ATOM 23 C GLU A 3 21.832 2.672 -9.470 1.00 0.00 C ATOM 24 O GLU A 3 21.882 1.448 -9.598 1.00 0.00 O ATOM 25 CB GLU A 3 20.113 4.320 -10.232 1.00 0.00 C ATOM 26 CG GLU A 3 18.905 3.410 -10.095 1.00 0.00 C ATOM 27 CD GLU A 3 17.613 4.171 -9.920 1.00 0.00 C ATOM 28 OE1 GLU A 3 17.112 4.734 -10.917 1.00 0.00 O ATOM 29 OE2 GLU A 3 17.076 4.193 -8.793 1.00 0.00 O ATOM 0 H GLU A 3 20.618 1.927 -11.665 1.00 0.00 H new ATOM 0 HA GLU A 3 22.194 4.271 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.278 4.841 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.904 5.081 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.831 2.777 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.050 2.749 -9.241 1.00 0.00 H new ATOM 36 N LYS A 4 22.155 3.304 -8.350 1.00 0.00 N ATOM 37 CA LYS A 4 22.578 2.598 -7.152 1.00 0.00 C ATOM 38 C LYS A 4 21.376 2.393 -6.236 1.00 0.00 C ATOM 39 O LYS A 4 21.465 1.700 -5.220 1.00 0.00 O ATOM 40 CB LYS A 4 23.676 3.382 -6.411 1.00 0.00 C ATOM 41 CG LYS A 4 24.972 3.576 -7.200 1.00 0.00 C ATOM 42 CD LYS A 4 24.829 4.610 -8.311 1.00 0.00 C ATOM 43 CE LYS A 4 26.138 4.817 -9.052 1.00 0.00 C ATOM 44 NZ LYS A 4 26.010 5.817 -10.145 1.00 0.00 N ATOM 0 H LYS A 4 22.131 4.319 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 4 22.989 1.631 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 4 23.283 4.362 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 4 23.908 2.863 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 4 25.765 3.886 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 4 25.277 2.623 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 4 24.060 4.287 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 4 24.496 5.557 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 4 26.904 5.145 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 4 26.473 3.867 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 26.927 5.927 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 25.298 5.493 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.716 6.731 -9.746 1.00 0.00 H new ATOM 58 N ARG A 5 20.260 3.022 -6.618 1.00 0.00 N ATOM 59 CA ARG A 5 18.983 2.913 -5.915 1.00 0.00 C ATOM 60 C ARG A 5 19.052 3.596 -4.549 1.00 0.00 C ATOM 61 O ARG A 5 18.726 4.777 -4.433 1.00 0.00 O ATOM 62 CB ARG A 5 18.571 1.447 -5.765 1.00 0.00 C ATOM 63 CG ARG A 5 17.070 1.222 -5.845 1.00 0.00 C ATOM 64 CD ARG A 5 16.527 1.650 -7.200 1.00 0.00 C ATOM 65 NE ARG A 5 15.133 1.260 -7.393 1.00 0.00 N ATOM 66 CZ ARG A 5 14.317 1.820 -8.286 1.00 0.00 C ATOM 67 NH1 ARG A 5 14.726 2.858 -9.013 1.00 0.00 N ATOM 68 NH2 ARG A 5 13.085 1.352 -8.432 1.00 0.00 N ATOM 0 H ARG A 5 20.220 3.629 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 5 18.225 3.422 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 5 19.059 0.860 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 5 18.935 1.073 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.847 0.169 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.572 1.784 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.615 2.732 -7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.137 1.208 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 5 14.760 0.512 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.668 3.229 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.097 3.282 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.767 0.568 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.456 1.776 -9.114 1.00 0.00 H new ATOM 82 N GLN A 6 19.499 2.857 -3.535 1.00 0.00 N ATOM 83 CA GLN A 6 19.616 3.368 -2.168 1.00 0.00 C ATOM 84 C GLN A 6 18.302 3.985 -1.679 1.00 0.00 C ATOM 85 O GLN A 6 17.357 3.263 -1.364 1.00 0.00 O ATOM 86 CB GLN A 6 20.746 4.393 -2.069 1.00 0.00 C ATOM 87 CG GLN A 6 22.108 3.850 -2.460 1.00 0.00 C ATOM 88 CD GLN A 6 23.185 4.913 -2.412 1.00 0.00 C ATOM 89 OE1 GLN A 6 22.917 6.100 -2.621 1.00 0.00 O ATOM 90 NE2 GLN A 6 24.408 4.500 -2.125 1.00 0.00 N ATOM 0 H GLN A 6 19.791 1.885 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 6 19.849 2.520 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.508 5.243 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 6 20.795 4.767 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 6 22.377 3.033 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 6 22.056 3.434 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 6 24.586 3.509 -1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 6 25.173 5.172 -2.069 1.00 0.00 H new ATOM 99 N HIS A 7 18.247 5.324 -1.652 1.00 0.00 N ATOM 100 CA HIS A 7 17.099 6.067 -1.113 1.00 0.00 C ATOM 101 C HIS A 7 16.960 5.853 0.393 1.00 0.00 C ATOM 102 O HIS A 7 17.335 6.715 1.189 1.00 0.00 O ATOM 103 CB HIS A 7 15.785 5.688 -1.819 1.00 0.00 C ATOM 104 CG HIS A 7 15.661 6.201 -3.222 1.00 0.00 C ATOM 105 ND1 HIS A 7 14.588 5.908 -4.034 1.00 0.00 N ATOM 106 CD2 HIS A 7 16.475 6.996 -3.956 1.00 0.00 C ATOM 107 CE1 HIS A 7 14.749 6.495 -5.203 1.00 0.00 C ATOM 108 NE2 HIS A 7 15.884 7.162 -5.184 1.00 0.00 N ATOM 0 H HIS A 7 18.996 5.922 -2.002 1.00 0.00 H new ATOM 0 HA HIS A 7 17.293 7.123 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 7 15.696 4.602 -1.834 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.949 6.068 -1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 7 17.415 7.421 -3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.065 6.438 -6.037 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.262 7.712 -5.955 1.00 0.00 H new ATOM 117 N SER A 8 16.436 4.705 0.778 1.00 0.00 N ATOM 118 CA SER A 8 16.225 4.394 2.177 1.00 0.00 C ATOM 119 C SER A 8 17.377 3.547 2.706 1.00 0.00 C ATOM 120 O SER A 8 17.571 2.408 2.284 1.00 0.00 O ATOM 121 CB SER A 8 14.893 3.660 2.347 1.00 0.00 C ATOM 122 OG SER A 8 13.821 4.417 1.803 1.00 0.00 O ATOM 0 H SER A 8 16.147 3.968 0.135 1.00 0.00 H new ATOM 0 HA SER A 8 16.190 5.320 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.944 2.689 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.710 3.472 3.405 1.00 0.00 H new ATOM 0 HG SER A 8 12.981 3.927 1.922 1.00 0.00 H new ATOM 128 N SER A 9 18.158 4.108 3.610 1.00 0.00 N ATOM 129 CA SER A 9 19.289 3.394 4.172 1.00 0.00 C ATOM 130 C SER A 9 18.955 2.860 5.555 1.00 0.00 C ATOM 131 O SER A 9 19.168 1.682 5.850 1.00 0.00 O ATOM 132 CB SER A 9 20.498 4.323 4.232 1.00 0.00 C ATOM 133 OG SER A 9 20.130 5.592 4.746 1.00 0.00 O ATOM 0 H SER A 9 18.031 5.054 3.970 1.00 0.00 H new ATOM 0 HA SER A 9 19.524 2.542 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.272 3.881 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.924 4.438 3.235 1.00 0.00 H new ATOM 0 HG SER A 9 20.919 6.173 4.778 1.00 0.00 H new ATOM 139 N GLN A 10 18.413 3.727 6.391 1.00 0.00 N ATOM 140 CA GLN A 10 18.080 3.362 7.755 1.00 0.00 C ATOM 141 C GLN A 10 16.723 2.686 7.807 1.00 0.00 C ATOM 142 O GLN A 10 16.565 1.619 8.405 1.00 0.00 O ATOM 143 CB GLN A 10 18.067 4.602 8.636 1.00 0.00 C ATOM 144 CG GLN A 10 19.366 5.374 8.595 1.00 0.00 C ATOM 145 CD GLN A 10 19.258 6.732 9.260 1.00 0.00 C ATOM 146 OE1 GLN A 10 18.409 6.839 10.273 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 19.935 7.679 8.866 1.00 0.00 N flip ATOM 0 H GLN A 10 18.193 4.693 6.147 1.00 0.00 H new ATOM 0 HA GLN A 10 18.835 2.666 8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.253 5.255 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.859 4.307 9.665 1.00 0.00 H new ATOM 0 HG2 GLN A 10 20.145 4.793 9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.674 5.505 7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 10 20.577 7.556 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.855 8.588 9.322 1.00 0.00 H new ATOM 156 N ASP A 11 15.747 3.305 7.156 1.00 0.00 N ATOM 157 CA ASP A 11 14.379 2.838 7.225 1.00 0.00 C ATOM 158 C ASP A 11 13.644 3.057 5.914 1.00 0.00 C ATOM 159 O ASP A 11 13.884 4.035 5.210 1.00 0.00 O ATOM 160 CB ASP A 11 13.622 3.554 8.350 1.00 0.00 C ATOM 161 CG ASP A 11 13.327 5.017 8.054 1.00 0.00 C ATOM 162 OD1 ASP A 11 14.275 5.834 8.029 1.00 0.00 O ATOM 163 OD2 ASP A 11 12.135 5.363 7.877 1.00 0.00 O ATOM 0 H ASP A 11 15.883 4.132 6.575 1.00 0.00 H new ATOM 0 HA ASP A 11 14.416 1.768 7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.682 3.033 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.206 3.489 9.268 1.00 0.00 H new ATOM 168 N VAL A 12 12.769 2.122 5.587 1.00 0.00 N ATOM 169 CA VAL A 12 11.818 2.314 4.512 1.00 0.00 C ATOM 170 C VAL A 12 10.419 2.404 5.096 1.00 0.00 C ATOM 171 O VAL A 12 9.944 1.485 5.772 1.00 0.00 O ATOM 172 CB VAL A 12 11.858 1.207 3.431 1.00 0.00 C ATOM 173 CG1 VAL A 12 11.834 -0.171 4.055 1.00 0.00 C ATOM 174 CG2 VAL A 12 10.702 1.364 2.453 1.00 0.00 C ATOM 0 H VAL A 12 12.699 1.218 6.055 1.00 0.00 H new ATOM 0 HA VAL A 12 12.098 3.240 4.009 1.00 0.00 H new ATOM 0 HB VAL A 12 12.794 1.315 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.863 -0.927 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.700 -0.291 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.922 -0.290 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.751 0.575 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.757 1.294 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.769 2.335 1.963 1.00 0.00 H new ATOM 184 N HIS A 13 9.785 3.530 4.878 1.00 0.00 N ATOM 185 CA HIS A 13 8.421 3.729 5.313 1.00 0.00 C ATOM 186 C HIS A 13 7.506 3.824 4.105 1.00 0.00 C ATOM 187 O HIS A 13 7.483 4.838 3.409 1.00 0.00 O ATOM 188 CB HIS A 13 8.313 4.990 6.171 1.00 0.00 C ATOM 189 CG HIS A 13 8.404 4.723 7.638 1.00 0.00 C ATOM 190 ND1 HIS A 13 9.530 4.969 8.393 1.00 0.00 N ATOM 191 CD2 HIS A 13 7.474 4.258 8.496 1.00 0.00 C ATOM 192 CE1 HIS A 13 9.282 4.669 9.655 1.00 0.00 C ATOM 193 NE2 HIS A 13 8.036 4.235 9.748 1.00 0.00 N ATOM 0 H HIS A 13 10.195 4.331 4.397 1.00 0.00 H new ATOM 0 HA HIS A 13 8.114 2.878 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.105 5.682 5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.365 5.485 5.958 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.415 5.326 8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.468 3.958 8.244 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.980 4.762 10.474 1.00 0.00 H new ATOM 202 N VAL A 14 6.764 2.761 3.843 1.00 0.00 N ATOM 203 CA VAL A 14 5.878 2.733 2.692 1.00 0.00 C ATOM 204 C VAL A 14 4.432 2.911 3.118 1.00 0.00 C ATOM 205 O VAL A 14 3.941 2.222 4.012 1.00 0.00 O ATOM 206 CB VAL A 14 6.021 1.434 1.866 1.00 0.00 C ATOM 207 CG1 VAL A 14 7.353 1.403 1.134 1.00 0.00 C ATOM 208 CG2 VAL A 14 5.877 0.206 2.750 1.00 0.00 C ATOM 0 H VAL A 14 6.757 1.912 4.408 1.00 0.00 H new ATOM 0 HA VAL A 14 6.174 3.566 2.054 1.00 0.00 H new ATOM 0 HB VAL A 14 5.219 1.420 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.431 0.480 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.417 2.257 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.167 1.450 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.982 -0.693 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.650 0.218 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.895 0.212 3.224 1.00 0.00 H new ATOM 218 N VAL A 15 3.763 3.860 2.492 1.00 0.00 N ATOM 219 CA VAL A 15 2.355 4.087 2.741 1.00 0.00 C ATOM 220 C VAL A 15 1.524 3.179 1.846 1.00 0.00 C ATOM 221 O VAL A 15 1.738 3.118 0.636 1.00 0.00 O ATOM 222 CB VAL A 15 1.964 5.569 2.510 1.00 0.00 C ATOM 223 CG1 VAL A 15 2.290 6.010 1.087 1.00 0.00 C ATOM 224 CG2 VAL A 15 0.489 5.791 2.819 1.00 0.00 C ATOM 0 H VAL A 15 4.176 4.489 1.803 1.00 0.00 H new ATOM 0 HA VAL A 15 2.155 3.854 3.787 1.00 0.00 H new ATOM 0 HB VAL A 15 2.554 6.181 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.005 7.054 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.360 5.901 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.739 5.391 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.235 6.838 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.118 5.161 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.292 5.533 3.860 1.00 0.00 H new ATOM 234 N LEU A 16 0.609 2.448 2.445 1.00 0.00 N ATOM 235 CA LEU A 16 -0.240 1.537 1.709 1.00 0.00 C ATOM 236 C LEU A 16 -1.666 2.060 1.697 1.00 0.00 C ATOM 237 O LEU A 16 -2.297 2.194 2.738 1.00 0.00 O ATOM 238 CB LEU A 16 -0.198 0.143 2.350 1.00 0.00 C ATOM 239 CG LEU A 16 -0.464 -1.034 1.410 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.501 -2.336 2.178 1.00 0.00 C ATOM 241 CD2 LEU A 16 -1.764 -0.856 0.661 1.00 0.00 C ATOM 0 H LEU A 16 0.433 2.468 3.450 1.00 0.00 H new ATOM 0 HA LEU A 16 0.122 1.463 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.782 0.004 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.932 0.113 3.155 1.00 0.00 H new ATOM 0 HG LEU A 16 0.353 -1.064 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.691 -3.159 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.456 -2.493 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.295 -2.296 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.924 -1.709 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.587 -0.788 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.720 0.058 0.068 1.00 0.00 H new ATOM 253 N LYS A 17 -2.172 2.340 0.517 1.00 0.00 N ATOM 254 CA LYS A 17 -3.550 2.756 0.369 1.00 0.00 C ATOM 255 C LYS A 17 -4.376 1.595 -0.170 1.00 0.00 C ATOM 256 O LYS A 17 -3.962 0.910 -1.105 1.00 0.00 O ATOM 257 CB LYS A 17 -3.663 3.966 -0.566 1.00 0.00 C ATOM 258 CG LYS A 17 -2.911 5.202 -0.092 1.00 0.00 C ATOM 259 CD LYS A 17 -2.914 6.270 -1.169 1.00 0.00 C ATOM 260 CE LYS A 17 -2.207 7.546 -0.726 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.006 8.344 0.239 1.00 0.00 N ATOM 0 H LYS A 17 -1.649 2.287 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.932 3.052 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.290 3.684 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.716 4.220 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.373 5.591 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.885 4.936 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.428 5.881 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.943 6.504 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.251 7.287 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.988 8.157 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.163 9.298 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.923 7.880 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.492 8.414 1.141 1.00 0.00 H new ATOM 275 N LEU A 18 -5.541 1.396 0.417 1.00 0.00 N ATOM 276 CA LEU A 18 -6.437 0.318 0.027 1.00 0.00 C ATOM 277 C LEU A 18 -7.517 0.889 -0.873 1.00 0.00 C ATOM 278 O LEU A 18 -8.040 1.966 -0.603 1.00 0.00 O ATOM 279 CB LEU A 18 -7.093 -0.300 1.273 1.00 0.00 C ATOM 280 CG LEU A 18 -6.267 -1.331 2.056 1.00 0.00 C ATOM 281 CD1 LEU A 18 -5.990 -2.548 1.197 1.00 0.00 C ATOM 282 CD2 LEU A 18 -4.972 -0.729 2.577 1.00 0.00 C ATOM 0 H LEU A 18 -5.895 1.976 1.178 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.873 -0.454 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.358 0.509 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.024 -0.775 0.965 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.853 -1.642 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.404 -3.269 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.934 -3.004 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.433 -2.248 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.413 -1.487 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.373 -0.373 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.200 0.105 3.240 1.00 0.00 H new ATOM 294 N TRP A 19 -7.830 0.189 -1.949 1.00 0.00 N ATOM 295 CA TRP A 19 -8.793 0.678 -2.920 1.00 0.00 C ATOM 296 C TRP A 19 -9.866 -0.365 -3.199 1.00 0.00 C ATOM 297 O TRP A 19 -9.878 -1.437 -2.599 1.00 0.00 O ATOM 298 CB TRP A 19 -8.097 1.023 -4.232 1.00 0.00 C ATOM 299 CG TRP A 19 -6.840 1.803 -4.081 1.00 0.00 C ATOM 300 CD1 TRP A 19 -5.576 1.300 -4.139 1.00 0.00 C ATOM 301 CD2 TRP A 19 -6.705 3.209 -3.849 1.00 0.00 C ATOM 302 NE1 TRP A 19 -4.664 2.308 -4.036 1.00 0.00 N ATOM 303 CE2 TRP A 19 -5.327 3.484 -3.845 1.00 0.00 C ATOM 304 CE3 TRP A 19 -7.605 4.265 -3.662 1.00 0.00 C ATOM 305 CZ2 TRP A 19 -4.818 4.756 -3.675 1.00 0.00 C ATOM 306 CZ3 TRP A 19 -7.094 5.538 -3.477 1.00 0.00 C ATOM 307 CH2 TRP A 19 -5.712 5.774 -3.491 1.00 0.00 C ATOM 0 H TRP A 19 -7.430 -0.722 -2.173 1.00 0.00 H new ATOM 0 HA TRP A 19 -9.258 1.570 -2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -7.873 0.098 -4.763 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.788 1.590 -4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.331 0.254 -4.250 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.651 2.200 -4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -8.671 4.091 -3.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.754 4.940 -3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.772 6.364 -3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -5.346 6.781 -3.354 1.00 0.00 H new ATOM 318 N LYS A 20 -10.758 -0.045 -4.122 1.00 0.00 N ATOM 319 CA LYS A 20 -11.822 -0.960 -4.510 1.00 0.00 C ATOM 320 C LYS A 20 -11.283 -2.103 -5.374 1.00 0.00 C ATOM 321 O LYS A 20 -11.848 -3.197 -5.397 1.00 0.00 O ATOM 322 CB LYS A 20 -12.937 -0.189 -5.233 1.00 0.00 C ATOM 323 CG LYS A 20 -12.444 0.734 -6.345 1.00 0.00 C ATOM 324 CD LYS A 20 -12.363 0.029 -7.695 1.00 0.00 C ATOM 325 CE LYS A 20 -13.745 -0.302 -8.240 1.00 0.00 C ATOM 326 NZ LYS A 20 -13.685 -0.885 -9.606 1.00 0.00 N ATOM 0 H LYS A 20 -10.767 0.846 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.240 -1.410 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.642 -0.905 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.486 0.404 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.113 1.591 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.460 1.122 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.834 0.663 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.783 -0.888 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.240 -1.004 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.352 0.603 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.649 -1.095 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.237 -0.206 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.128 -1.763 -9.585 1.00 0.00 H new ATOM 340 N SER A 21 -10.187 -1.846 -6.078 1.00 0.00 N ATOM 341 CA SER A 21 -9.568 -2.859 -6.920 1.00 0.00 C ATOM 342 C SER A 21 -8.444 -3.572 -6.178 1.00 0.00 C ATOM 343 O SER A 21 -8.359 -4.801 -6.190 1.00 0.00 O ATOM 344 CB SER A 21 -9.022 -2.220 -8.197 1.00 0.00 C ATOM 345 OG SER A 21 -10.038 -1.520 -8.889 1.00 0.00 O ATOM 0 H SER A 21 -9.710 -0.945 -6.082 1.00 0.00 H new ATOM 0 HA SER A 21 -10.329 -3.594 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.210 -1.537 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.602 -2.991 -8.843 1.00 0.00 H new ATOM 0 HG SER A 21 -9.664 -1.119 -9.701 1.00 0.00 H new ATOM 351 N GLY A 22 -7.586 -2.803 -5.523 1.00 0.00 N ATOM 352 CA GLY A 22 -6.452 -3.391 -4.853 1.00 0.00 C ATOM 353 C GLY A 22 -5.820 -2.472 -3.833 1.00 0.00 C ATOM 354 O GLY A 22 -6.516 -1.824 -3.057 1.00 0.00 O ATOM 0 H GLY A 22 -7.657 -1.788 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.767 -4.310 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.704 -3.669 -5.595 1.00 0.00 H new ATOM 358 N PHE A 23 -4.502 -2.428 -3.837 1.00 0.00 N ATOM 359 CA PHE A 23 -3.745 -1.679 -2.847 1.00 0.00 C ATOM 360 C PHE A 23 -2.496 -1.084 -3.490 1.00 0.00 C ATOM 361 O PHE A 23 -1.924 -1.678 -4.399 1.00 0.00 O ATOM 362 CB PHE A 23 -3.368 -2.613 -1.688 1.00 0.00 C ATOM 363 CG PHE A 23 -2.499 -3.766 -2.111 1.00 0.00 C ATOM 364 CD1 PHE A 23 -1.119 -3.649 -2.101 1.00 0.00 C ATOM 365 CD2 PHE A 23 -3.064 -4.958 -2.534 1.00 0.00 C ATOM 366 CE1 PHE A 23 -0.322 -4.696 -2.508 1.00 0.00 C ATOM 367 CE2 PHE A 23 -2.270 -6.011 -2.938 1.00 0.00 C ATOM 368 CZ PHE A 23 -0.899 -5.879 -2.927 1.00 0.00 C ATOM 0 H PHE A 23 -3.924 -2.910 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.352 -0.861 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.849 -2.038 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.279 -3.002 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.663 -2.727 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.139 -5.064 -2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.753 -4.592 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.722 -6.937 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.275 -6.701 -3.246 1.00 0.00 H new ATOM 378 N SER A 24 -2.090 0.089 -3.040 1.00 0.00 N ATOM 379 CA SER A 24 -0.888 0.728 -3.558 1.00 0.00 C ATOM 380 C SER A 24 0.038 1.126 -2.425 1.00 0.00 C ATOM 381 O SER A 24 -0.417 1.461 -1.337 1.00 0.00 O ATOM 382 CB SER A 24 -1.263 1.968 -4.364 1.00 0.00 C ATOM 383 OG SER A 24 -2.021 2.872 -3.580 1.00 0.00 O ATOM 0 H SER A 24 -2.573 0.621 -2.316 1.00 0.00 H new ATOM 0 HA SER A 24 -0.372 0.015 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.359 2.461 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.836 1.675 -5.244 1.00 0.00 H new ATOM 0 HG SER A 24 -1.463 3.223 -2.855 1.00 0.00 H new ATOM 389 N LEU A 25 1.328 1.118 -2.693 1.00 0.00 N ATOM 390 CA LEU A 25 2.313 1.438 -1.683 1.00 0.00 C ATOM 391 C LEU A 25 3.238 2.531 -2.203 1.00 0.00 C ATOM 392 O LEU A 25 3.079 2.998 -3.328 1.00 0.00 O ATOM 393 CB LEU A 25 3.132 0.195 -1.291 1.00 0.00 C ATOM 394 CG LEU A 25 2.340 -1.110 -1.111 1.00 0.00 C ATOM 395 CD1 LEU A 25 2.031 -1.753 -2.458 1.00 0.00 C ATOM 396 CD2 LEU A 25 3.097 -2.080 -0.218 1.00 0.00 C ATOM 0 H LEU A 25 1.719 0.892 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 25 1.793 1.791 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.893 0.031 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.656 0.409 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 25 1.394 -0.864 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.470 -2.674 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.438 -1.066 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.963 -1.979 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.519 -2.997 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.061 -2.313 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.255 -1.626 0.761 1.00 0.00 H new ATOM 408 N ASP A 26 4.202 2.941 -1.400 1.00 0.00 N ATOM 409 CA ASP A 26 5.164 3.948 -1.839 1.00 0.00 C ATOM 410 C ASP A 26 6.111 3.360 -2.889 1.00 0.00 C ATOM 411 O ASP A 26 6.611 4.067 -3.765 1.00 0.00 O ATOM 412 CB ASP A 26 5.949 4.486 -0.640 1.00 0.00 C ATOM 413 CG ASP A 26 6.912 5.595 -1.017 1.00 0.00 C ATOM 414 OD1 ASP A 26 6.452 6.664 -1.473 1.00 0.00 O ATOM 415 OD2 ASP A 26 8.132 5.405 -0.846 1.00 0.00 O ATOM 0 H ASP A 26 4.344 2.600 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 26 4.622 4.776 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.250 4.858 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.505 3.669 -0.180 1.00 0.00 H new ATOM 420 N ASN A 27 6.314 2.047 -2.815 1.00 0.00 N ATOM 421 CA ASN A 27 7.224 1.346 -3.724 1.00 0.00 C ATOM 422 C ASN A 27 6.542 1.041 -5.060 1.00 0.00 C ATOM 423 O ASN A 27 7.206 0.895 -6.085 1.00 0.00 O ATOM 424 CB ASN A 27 7.715 0.028 -3.096 1.00 0.00 C ATOM 425 CG ASN A 27 6.627 -1.033 -3.081 1.00 0.00 C ATOM 426 OD1 ASN A 27 5.812 -1.033 -2.038 1.00 0.00 O flip ATOM 427 ND2 ASN A 27 6.516 -1.841 -4.001 1.00 0.00 N flip ATOM 0 H ASN A 27 5.859 1.442 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 27 8.076 2.002 -3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.575 -0.342 -3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.053 0.215 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.164 -1.809 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.776 -2.543 -3.977 1.00 0.00 H new ATOM 434 N GLY A 28 5.216 0.944 -5.044 1.00 0.00 N ATOM 435 CA GLY A 28 4.483 0.569 -6.238 1.00 0.00 C ATOM 436 C GLY A 28 3.030 0.988 -6.167 1.00 0.00 C ATOM 437 O GLY A 28 2.441 0.989 -5.092 1.00 0.00 O ATOM 0 H GLY A 28 4.636 1.119 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.950 1.028 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.543 -0.511 -6.376 1.00 0.00 H new ATOM 441 N GLU A 29 2.451 1.314 -7.314 1.00 0.00 N ATOM 442 CA GLU A 29 1.109 1.888 -7.375 1.00 0.00 C ATOM 443 C GLU A 29 0.012 0.834 -7.189 1.00 0.00 C ATOM 444 O GLU A 29 0.290 -0.289 -6.771 1.00 0.00 O ATOM 445 CB GLU A 29 0.948 2.631 -8.697 1.00 0.00 C ATOM 446 CG GLU A 29 1.927 3.786 -8.830 1.00 0.00 C ATOM 447 CD GLU A 29 2.006 4.346 -10.230 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.075 5.061 -10.643 1.00 0.00 O ATOM 449 OE2 GLU A 29 3.014 4.091 -10.918 1.00 0.00 O ATOM 0 H GLU A 29 2.893 1.190 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 29 0.994 2.587 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.095 1.935 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.071 3.010 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.635 4.581 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.918 3.450 -8.524 1.00 0.00 H new ATOM 456 N LEU A 30 -1.233 1.214 -7.493 1.00 0.00 N ATOM 457 CA LEU A 30 -2.401 0.392 -7.178 1.00 0.00 C ATOM 458 C LEU A 30 -2.314 -0.973 -7.850 1.00 0.00 C ATOM 459 O LEU A 30 -2.245 -1.092 -9.074 1.00 0.00 O ATOM 460 CB LEU A 30 -3.689 1.151 -7.570 1.00 0.00 C ATOM 461 CG LEU A 30 -5.040 0.577 -7.087 1.00 0.00 C ATOM 462 CD1 LEU A 30 -6.184 1.490 -7.464 1.00 0.00 C ATOM 463 CD2 LEU A 30 -5.330 -0.792 -7.634 1.00 0.00 C ATOM 0 H LEU A 30 -1.456 2.093 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.427 0.206 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.605 2.170 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.722 1.215 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.951 0.502 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.122 1.062 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.036 2.467 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.220 1.600 -8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.292 -1.138 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.361 -0.750 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.548 -1.483 -7.320 1.00 0.00 H new ATOM 475 N ARG A 31 -2.302 -1.995 -7.015 1.00 0.00 N ATOM 476 CA ARG A 31 -2.278 -3.373 -7.455 1.00 0.00 C ATOM 477 C ARG A 31 -3.538 -4.092 -6.991 1.00 0.00 C ATOM 478 O ARG A 31 -3.755 -4.243 -5.789 1.00 0.00 O ATOM 479 CB ARG A 31 -1.054 -4.069 -6.874 1.00 0.00 C ATOM 480 CG ARG A 31 0.270 -3.523 -7.372 1.00 0.00 C ATOM 481 CD ARG A 31 1.430 -4.258 -6.729 1.00 0.00 C ATOM 482 NE ARG A 31 2.719 -3.846 -7.280 1.00 0.00 N ATOM 483 CZ ARG A 31 3.571 -4.682 -7.872 1.00 0.00 C ATOM 484 NH1 ARG A 31 3.217 -5.944 -8.092 1.00 0.00 N ATOM 485 NH2 ARG A 31 4.757 -4.243 -8.278 1.00 0.00 N ATOM 0 H ARG A 31 -2.309 -1.888 -6.001 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.234 -3.399 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.083 -3.983 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.108 -5.131 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.326 -3.623 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.338 -2.459 -7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.422 -4.077 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.302 -5.331 -6.872 1.00 0.00 H new ATOM 0 HE ARG A 31 2.981 -2.863 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.294 -6.272 -7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.868 -6.585 -8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.015 -3.266 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.410 -4.882 -8.731 1.00 0.00 H new ATOM 499 N SER A 32 -4.372 -4.506 -7.939 1.00 0.00 N ATOM 500 CA SER A 32 -5.599 -5.237 -7.629 1.00 0.00 C ATOM 501 C SER A 32 -5.294 -6.525 -6.857 1.00 0.00 C ATOM 502 O SER A 32 -4.292 -7.197 -7.111 1.00 0.00 O ATOM 503 CB SER A 32 -6.364 -5.542 -8.923 1.00 0.00 C ATOM 504 OG SER A 32 -7.460 -6.413 -8.692 1.00 0.00 O ATOM 0 H SER A 32 -4.220 -4.347 -8.935 1.00 0.00 H new ATOM 0 HA SER A 32 -6.224 -4.613 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.725 -4.611 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.687 -5.993 -9.648 1.00 0.00 H new ATOM 0 HG SER A 32 -7.963 -6.106 -7.909 1.00 0.00 H new ATOM 510 N TYR A 33 -6.181 -6.860 -5.917 1.00 0.00 N ATOM 511 CA TYR A 33 -5.961 -7.970 -4.983 1.00 0.00 C ATOM 512 C TYR A 33 -5.941 -9.323 -5.694 1.00 0.00 C ATOM 513 O TYR A 33 -5.545 -10.331 -5.112 1.00 0.00 O ATOM 514 CB TYR A 33 -7.070 -8.014 -3.924 1.00 0.00 C ATOM 515 CG TYR A 33 -7.323 -6.721 -3.177 1.00 0.00 C ATOM 516 CD1 TYR A 33 -6.342 -6.132 -2.384 1.00 0.00 C ATOM 517 CD2 TYR A 33 -8.564 -6.104 -3.246 1.00 0.00 C ATOM 518 CE1 TYR A 33 -6.595 -4.966 -1.689 1.00 0.00 C ATOM 519 CE2 TYR A 33 -8.825 -4.941 -2.551 1.00 0.00 C ATOM 520 CZ TYR A 33 -7.838 -4.376 -1.776 1.00 0.00 C ATOM 521 OH TYR A 33 -8.094 -3.218 -1.086 1.00 0.00 O ATOM 0 H TYR A 33 -7.067 -6.374 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.991 -7.792 -4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.997 -8.318 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.822 -8.788 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.369 -6.594 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.340 -6.543 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.823 -4.519 -1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.798 -4.477 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.701 -2.653 -1.608 1.00 0.00 H new ATOM 531 N GLN A 34 -6.384 -9.342 -6.942 1.00 0.00 N ATOM 532 CA GLN A 34 -6.592 -10.593 -7.663 1.00 0.00 C ATOM 533 C GLN A 34 -5.297 -11.128 -8.271 1.00 0.00 C ATOM 534 O GLN A 34 -5.154 -12.333 -8.474 1.00 0.00 O ATOM 535 CB GLN A 34 -7.626 -10.381 -8.761 1.00 0.00 C ATOM 536 CG GLN A 34 -8.906 -9.725 -8.264 1.00 0.00 C ATOM 537 CD GLN A 34 -9.938 -9.532 -9.356 1.00 0.00 C ATOM 538 OE1 GLN A 34 -9.938 -8.519 -10.053 1.00 0.00 O ATOM 539 NE2 GLN A 34 -10.842 -10.491 -9.496 1.00 0.00 N ATOM 0 H GLN A 34 -6.607 -8.504 -7.479 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.949 -11.334 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.190 -9.763 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.870 -11.343 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.336 -10.336 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.664 -8.757 -7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.807 -11.316 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.573 -10.404 -10.202 1.00 0.00 H new ATOM 548 N ASP A 35 -4.371 -10.231 -8.581 1.00 0.00 N ATOM 549 CA ASP A 35 -3.103 -10.625 -9.203 1.00 0.00 C ATOM 550 C ASP A 35 -2.201 -11.377 -8.219 1.00 0.00 C ATOM 551 O ASP A 35 -1.995 -10.939 -7.085 1.00 0.00 O ATOM 552 CB ASP A 35 -2.364 -9.405 -9.749 1.00 0.00 C ATOM 553 CG ASP A 35 -1.071 -9.783 -10.444 1.00 0.00 C ATOM 554 OD1 ASP A 35 -0.030 -9.868 -9.763 1.00 0.00 O ATOM 555 OD2 ASP A 35 -1.092 -10.007 -11.674 1.00 0.00 O ATOM 0 H ASP A 35 -4.468 -9.229 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.345 -11.296 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.009 -8.875 -10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.148 -8.717 -8.931 1.00 0.00 H new ATOM 560 N PRO A 36 -1.638 -12.520 -8.657 1.00 0.00 N ATOM 561 CA PRO A 36 -0.825 -13.404 -7.806 1.00 0.00 C ATOM 562 C PRO A 36 0.514 -12.807 -7.354 1.00 0.00 C ATOM 563 O PRO A 36 1.169 -13.369 -6.475 1.00 0.00 O ATOM 564 CB PRO A 36 -0.572 -14.635 -8.690 1.00 0.00 C ATOM 565 CG PRO A 36 -1.558 -14.532 -9.801 1.00 0.00 C ATOM 566 CD PRO A 36 -1.772 -13.066 -10.017 1.00 0.00 C ATOM 0 HA PRO A 36 -1.352 -13.609 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.449 -14.642 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.709 -15.558 -8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.181 -15.010 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.492 -15.030 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.033 -12.644 -10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.753 -12.858 -10.443 1.00 0.00 H new ATOM 574 N SER A 37 0.935 -11.683 -7.932 1.00 0.00 N ATOM 575 CA SER A 37 2.189 -11.069 -7.529 1.00 0.00 C ATOM 576 C SER A 37 1.905 -10.110 -6.391 1.00 0.00 C ATOM 577 O SER A 37 2.741 -9.868 -5.517 1.00 0.00 O ATOM 578 CB SER A 37 2.834 -10.336 -8.705 1.00 0.00 C ATOM 579 OG SER A 37 4.131 -9.873 -8.374 1.00 0.00 O ATOM 0 H SER A 37 0.432 -11.189 -8.669 1.00 0.00 H new ATOM 0 HA SER A 37 2.889 -11.837 -7.200 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.892 -11.004 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.208 -9.493 -8.998 1.00 0.00 H new ATOM 0 HG SER A 37 4.520 -9.410 -9.145 1.00 0.00 H new ATOM 585 N ASN A 38 0.692 -9.588 -6.408 1.00 0.00 N ATOM 586 CA ASN A 38 0.218 -8.697 -5.368 1.00 0.00 C ATOM 587 C ASN A 38 -0.191 -9.510 -4.154 1.00 0.00 C ATOM 588 O ASN A 38 -0.183 -9.018 -3.024 1.00 0.00 O ATOM 589 CB ASN A 38 -0.963 -7.875 -5.877 1.00 0.00 C ATOM 590 CG ASN A 38 -0.679 -7.242 -7.224 1.00 0.00 C ATOM 591 OD1 ASN A 38 0.475 -6.989 -7.579 1.00 0.00 O ATOM 592 ND2 ASN A 38 -1.729 -6.956 -7.972 1.00 0.00 N ATOM 0 H ASN A 38 0.009 -9.770 -7.143 1.00 0.00 H new ATOM 0 HA ASN A 38 1.019 -8.013 -5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.842 -8.515 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.200 -7.095 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.602 -6.509 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.667 -7.182 -7.642 1.00 0.00 H new ATOM 599 N ALA A 39 -0.536 -10.770 -4.403 1.00 0.00 N ATOM 600 CA ALA A 39 -0.852 -11.713 -3.335 1.00 0.00 C ATOM 601 C ALA A 39 0.324 -11.862 -2.374 1.00 0.00 C ATOM 602 O ALA A 39 0.141 -12.203 -1.207 1.00 0.00 O ATOM 603 CB ALA A 39 -1.234 -13.063 -3.917 1.00 0.00 C ATOM 0 H ALA A 39 -0.604 -11.163 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.701 -11.320 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.467 -13.755 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.107 -12.948 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.402 -13.455 -4.502 1.00 0.00 H new ATOM 609 N GLN A 40 1.532 -11.612 -2.880 1.00 0.00 N ATOM 610 CA GLN A 40 2.732 -11.602 -2.052 1.00 0.00 C ATOM 611 C GLN A 40 2.578 -10.592 -0.923 1.00 0.00 C ATOM 612 O GLN A 40 2.810 -10.905 0.244 1.00 0.00 O ATOM 613 CB GLN A 40 3.961 -11.272 -2.915 1.00 0.00 C ATOM 614 CG GLN A 40 5.260 -11.083 -2.140 1.00 0.00 C ATOM 615 CD GLN A 40 5.585 -9.624 -1.868 1.00 0.00 C ATOM 616 OE1 GLN A 40 5.174 -9.120 -0.718 1.00 0.00 O flip ATOM 617 NE2 GLN A 40 6.221 -8.957 -2.680 1.00 0.00 N flip ATOM 0 H GLN A 40 1.703 -11.413 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 40 2.874 -12.589 -1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.102 -12.073 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.756 -10.362 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.191 -11.617 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.079 -11.533 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.524 -9.377 -3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.447 -7.984 -2.475 1.00 0.00 H new ATOM 626 N PHE A 41 2.179 -9.379 -1.281 1.00 0.00 N ATOM 627 CA PHE A 41 1.953 -8.331 -0.299 1.00 0.00 C ATOM 628 C PHE A 41 0.831 -8.739 0.634 1.00 0.00 C ATOM 629 O PHE A 41 1.002 -8.753 1.850 1.00 0.00 O ATOM 630 CB PHE A 41 1.587 -7.013 -0.979 1.00 0.00 C ATOM 631 CG PHE A 41 2.669 -6.428 -1.840 1.00 0.00 C ATOM 632 CD1 PHE A 41 3.673 -5.658 -1.278 1.00 0.00 C ATOM 633 CD2 PHE A 41 2.668 -6.622 -3.214 1.00 0.00 C ATOM 634 CE1 PHE A 41 4.655 -5.093 -2.069 1.00 0.00 C ATOM 635 CE2 PHE A 41 3.648 -6.063 -4.008 1.00 0.00 C ATOM 636 CZ PHE A 41 4.641 -5.297 -3.436 1.00 0.00 C ATOM 0 H PHE A 41 2.005 -9.098 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 41 2.875 -8.189 0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.700 -7.171 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.320 -6.286 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.689 -5.497 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.890 -7.218 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.432 -4.493 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.637 -6.225 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.408 -4.856 -4.056 1.00 0.00 H new ATOM 646 N LEU A 42 -0.303 -9.103 0.045 1.00 0.00 N ATOM 647 CA LEU A 42 -1.489 -9.473 0.805 1.00 0.00 C ATOM 648 C LEU A 42 -1.180 -10.549 1.838 1.00 0.00 C ATOM 649 O LEU A 42 -1.666 -10.486 2.958 1.00 0.00 O ATOM 650 CB LEU A 42 -2.595 -9.954 -0.137 1.00 0.00 C ATOM 651 CG LEU A 42 -3.224 -8.868 -1.006 1.00 0.00 C ATOM 652 CD1 LEU A 42 -4.220 -9.476 -1.981 1.00 0.00 C ATOM 653 CD2 LEU A 42 -3.898 -7.818 -0.136 1.00 0.00 C ATOM 0 H LEU A 42 -0.425 -9.149 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.830 -8.585 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.186 -10.727 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.380 -10.421 0.458 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.435 -8.384 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.659 -8.687 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.709 -10.192 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.008 -9.985 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.342 -7.050 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.677 -8.288 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.159 -7.362 0.522 1.00 0.00 H new ATOM 665 N GLU A 43 -0.354 -11.519 1.465 1.00 0.00 N ATOM 666 CA GLU A 43 -0.016 -12.622 2.358 1.00 0.00 C ATOM 667 C GLU A 43 0.867 -12.143 3.505 1.00 0.00 C ATOM 668 O GLU A 43 0.557 -12.369 4.678 1.00 0.00 O ATOM 669 CB GLU A 43 0.696 -13.732 1.588 1.00 0.00 C ATOM 670 CG GLU A 43 0.783 -15.039 2.354 1.00 0.00 C ATOM 671 CD GLU A 43 -0.581 -15.652 2.590 1.00 0.00 C ATOM 672 OE1 GLU A 43 -1.264 -15.982 1.597 1.00 0.00 O ATOM 673 OE2 GLU A 43 -0.967 -15.832 3.765 1.00 0.00 O ATOM 0 H GLU A 43 0.095 -11.565 0.550 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.944 -13.014 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.172 -13.905 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.703 -13.400 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.405 -15.742 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.273 -14.865 3.312 1.00 0.00 H new ATOM 680 N SER A 44 1.960 -11.468 3.165 1.00 0.00 N ATOM 681 CA SER A 44 2.896 -10.982 4.160 1.00 0.00 C ATOM 682 C SER A 44 2.211 -10.009 5.113 1.00 0.00 C ATOM 683 O SER A 44 2.338 -10.127 6.329 1.00 0.00 O ATOM 684 CB SER A 44 4.071 -10.299 3.465 1.00 0.00 C ATOM 685 OG SER A 44 4.740 -11.191 2.588 1.00 0.00 O ATOM 0 H SER A 44 2.216 -11.247 2.203 1.00 0.00 H new ATOM 0 HA SER A 44 3.262 -11.828 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.713 -9.435 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.772 -9.926 4.212 1.00 0.00 H new ATOM 0 HG SER A 44 4.253 -11.242 1.739 1.00 0.00 H new ATOM 691 N ILE A 45 1.442 -9.083 4.553 1.00 0.00 N ATOM 692 CA ILE A 45 0.785 -8.043 5.341 1.00 0.00 C ATOM 693 C ILE A 45 -0.341 -8.646 6.176 1.00 0.00 C ATOM 694 O ILE A 45 -0.662 -8.163 7.264 1.00 0.00 O ATOM 695 CB ILE A 45 0.242 -6.924 4.421 1.00 0.00 C ATOM 696 CG1 ILE A 45 1.382 -6.345 3.581 1.00 0.00 C ATOM 697 CG2 ILE A 45 -0.420 -5.820 5.232 1.00 0.00 C ATOM 698 CD1 ILE A 45 0.921 -5.399 2.497 1.00 0.00 C ATOM 0 H ILE A 45 1.256 -9.030 3.551 1.00 0.00 H new ATOM 0 HA ILE A 45 1.519 -7.602 6.015 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.511 -7.357 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.075 -5.820 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.936 -7.165 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.792 -5.047 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.251 -6.236 5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.308 -5.385 5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.785 -5.030 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.252 -5.925 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.393 -4.559 2.948 1.00 0.00 H new ATOM 710 N ARG A 46 -0.917 -9.721 5.658 1.00 0.00 N ATOM 711 CA ARG A 46 -1.933 -10.487 6.368 1.00 0.00 C ATOM 712 C ARG A 46 -1.364 -11.045 7.664 1.00 0.00 C ATOM 713 O ARG A 46 -1.978 -10.944 8.728 1.00 0.00 O ATOM 714 CB ARG A 46 -2.401 -11.635 5.478 1.00 0.00 C ATOM 715 CG ARG A 46 -3.575 -12.427 6.009 1.00 0.00 C ATOM 716 CD ARG A 46 -3.907 -13.564 5.060 1.00 0.00 C ATOM 717 NE ARG A 46 -5.171 -14.214 5.388 1.00 0.00 N ATOM 718 CZ ARG A 46 -5.651 -15.275 4.745 1.00 0.00 C ATOM 719 NH1 ARG A 46 -4.952 -15.842 3.768 1.00 0.00 N ATOM 720 NH2 ARG A 46 -6.834 -15.773 5.082 1.00 0.00 N ATOM 0 H ARG A 46 -0.693 -10.088 4.733 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.773 -9.835 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.668 -11.230 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.565 -12.316 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.340 -12.824 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.441 -11.775 6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.953 -13.181 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.105 -14.302 5.087 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.720 -13.832 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.041 -15.464 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.326 -16.655 3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.374 -15.342 5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.204 -16.586 4.590 1.00 0.00 H new ATOM 734 N ARG A 47 -0.184 -11.645 7.558 1.00 0.00 N ATOM 735 CA ARG A 47 0.491 -12.225 8.711 1.00 0.00 C ATOM 736 C ARG A 47 1.087 -11.135 9.597 1.00 0.00 C ATOM 737 O ARG A 47 1.196 -11.296 10.812 1.00 0.00 O ATOM 738 CB ARG A 47 1.603 -13.174 8.255 1.00 0.00 C ATOM 739 CG ARG A 47 1.155 -14.212 7.237 1.00 0.00 C ATOM 740 CD ARG A 47 -0.002 -15.047 7.755 1.00 0.00 C ATOM 741 NE ARG A 47 0.368 -15.835 8.931 1.00 0.00 N ATOM 742 CZ ARG A 47 -0.515 -16.425 9.737 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.819 -16.263 9.540 1.00 0.00 N ATOM 744 NH2 ARG A 47 -0.095 -17.164 10.755 1.00 0.00 N ATOM 0 H ARG A 47 0.326 -11.742 6.680 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.248 -12.782 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.414 -12.586 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.008 -13.687 9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.858 -13.712 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.993 -14.865 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.836 -14.392 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.347 -15.715 6.966 1.00 0.00 H new ATOM 0 HE ARG A 47 1.359 -15.939 9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.150 -15.684 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.489 -16.717 10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.904 -17.281 10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.771 -17.615 11.371 1.00 0.00 H new ATOM 758 N GLY A 48 1.469 -10.028 8.975 1.00 0.00 N ATOM 759 CA GLY A 48 2.117 -8.951 9.697 1.00 0.00 C ATOM 760 C GLY A 48 3.597 -8.898 9.391 1.00 0.00 C ATOM 761 O GLY A 48 4.343 -8.122 9.987 1.00 0.00 O ATOM 0 H GLY A 48 1.341 -9.856 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.654 -8.001 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.969 -9.088 10.768 1.00 0.00 H new ATOM 765 N GLU A 49 4.014 -9.729 8.448 1.00 0.00 N ATOM 766 CA GLU A 49 5.406 -9.804 8.042 1.00 0.00 C ATOM 767 C GLU A 49 5.709 -8.734 7.005 1.00 0.00 C ATOM 768 O GLU A 49 4.803 -8.085 6.479 1.00 0.00 O ATOM 769 CB GLU A 49 5.720 -11.182 7.466 1.00 0.00 C ATOM 770 CG GLU A 49 5.492 -12.316 8.450 1.00 0.00 C ATOM 771 CD GLU A 49 5.812 -13.672 7.859 1.00 0.00 C ATOM 772 OE1 GLU A 49 4.906 -14.294 7.269 1.00 0.00 O ATOM 773 OE2 GLU A 49 6.972 -14.121 7.981 1.00 0.00 O ATOM 0 H GLU A 49 3.398 -10.368 7.945 1.00 0.00 H new ATOM 0 HA GLU A 49 6.030 -9.638 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.102 -11.348 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.759 -11.201 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.109 -12.154 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.453 -12.303 8.779 1.00 0.00 H new ATOM 780 N VAL A 50 6.983 -8.558 6.714 1.00 0.00 N ATOM 781 CA VAL A 50 7.409 -7.548 5.773 1.00 0.00 C ATOM 782 C VAL A 50 7.439 -8.079 4.340 1.00 0.00 C ATOM 783 O VAL A 50 8.127 -9.058 4.038 1.00 0.00 O ATOM 784 CB VAL A 50 8.797 -6.990 6.154 1.00 0.00 C ATOM 785 CG1 VAL A 50 9.835 -8.098 6.273 1.00 0.00 C ATOM 786 CG2 VAL A 50 9.241 -5.941 5.150 1.00 0.00 C ATOM 0 H VAL A 50 7.742 -9.106 7.119 1.00 0.00 H new ATOM 0 HA VAL A 50 6.676 -6.743 5.819 1.00 0.00 H new ATOM 0 HB VAL A 50 8.709 -6.520 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.799 -7.666 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.526 -8.805 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.924 -8.617 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.221 -5.558 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.299 -6.389 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.522 -5.122 5.137 1.00 0.00 H new ATOM 796 N PRO A 51 6.657 -7.456 3.442 1.00 0.00 N ATOM 797 CA PRO A 51 6.748 -7.721 2.006 1.00 0.00 C ATOM 798 C PRO A 51 8.154 -7.429 1.474 1.00 0.00 C ATOM 799 O PRO A 51 8.726 -6.370 1.746 1.00 0.00 O ATOM 800 CB PRO A 51 5.727 -6.749 1.400 1.00 0.00 C ATOM 801 CG PRO A 51 4.781 -6.456 2.498 1.00 0.00 C ATOM 802 CD PRO A 51 5.600 -6.472 3.756 1.00 0.00 C ATOM 0 HA PRO A 51 6.550 -8.764 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.211 -5.840 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.216 -7.195 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.303 -5.487 2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.986 -7.201 2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.015 -5.490 3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.009 -6.774 4.620 1.00 0.00 H new ATOM 810 N ALA A 52 8.695 -8.375 0.708 1.00 0.00 N ATOM 811 CA ALA A 52 10.071 -8.311 0.227 1.00 0.00 C ATOM 812 C ALA A 52 10.322 -7.072 -0.616 1.00 0.00 C ATOM 813 O ALA A 52 11.425 -6.554 -0.632 1.00 0.00 O ATOM 814 CB ALA A 52 10.401 -9.562 -0.569 1.00 0.00 C ATOM 0 H ALA A 52 8.190 -9.207 0.404 1.00 0.00 H new ATOM 0 HA ALA A 52 10.723 -8.251 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.430 -9.506 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.284 -10.439 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.726 -9.639 -1.422 1.00 0.00 H new ATOM 820 N GLU A 53 9.294 -6.590 -1.294 1.00 0.00 N ATOM 821 CA GLU A 53 9.424 -5.411 -2.145 1.00 0.00 C ATOM 822 C GLU A 53 9.794 -4.169 -1.333 1.00 0.00 C ATOM 823 O GLU A 53 10.370 -3.223 -1.864 1.00 0.00 O ATOM 824 CB GLU A 53 8.120 -5.165 -2.901 1.00 0.00 C ATOM 825 CG GLU A 53 7.760 -6.279 -3.869 1.00 0.00 C ATOM 826 CD GLU A 53 8.738 -6.396 -5.021 1.00 0.00 C ATOM 827 OE1 GLU A 53 9.780 -7.064 -4.862 1.00 0.00 O ATOM 828 OE2 GLU A 53 8.462 -5.828 -6.099 1.00 0.00 O ATOM 0 H GLU A 53 8.358 -6.995 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 53 10.229 -5.601 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.310 -5.044 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.200 -4.228 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.726 -7.226 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.760 -6.101 -4.264 1.00 0.00 H new ATOM 835 N LEU A 54 9.457 -4.172 -0.046 1.00 0.00 N ATOM 836 CA LEU A 54 9.756 -3.034 0.812 1.00 0.00 C ATOM 837 C LEU A 54 11.153 -3.203 1.374 1.00 0.00 C ATOM 838 O LEU A 54 11.930 -2.254 1.482 1.00 0.00 O ATOM 839 CB LEU A 54 8.757 -2.926 1.967 1.00 0.00 C ATOM 840 CG LEU A 54 7.358 -3.457 1.695 1.00 0.00 C ATOM 841 CD1 LEU A 54 6.516 -3.325 2.948 1.00 0.00 C ATOM 842 CD2 LEU A 54 6.720 -2.711 0.543 1.00 0.00 C ATOM 0 H LEU A 54 8.981 -4.944 0.421 1.00 0.00 H new ATOM 0 HA LEU A 54 9.685 -2.123 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.166 -3.460 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.676 -1.877 2.253 1.00 0.00 H new ATOM 0 HG LEU A 54 7.423 -4.509 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.513 -3.705 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.972 -3.899 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.457 -2.276 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.720 -3.105 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.654 -1.651 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.326 -2.839 -0.354 1.00 0.00 H new ATOM 854 N ARG A 55 11.449 -4.442 1.738 1.00 0.00 N ATOM 855 CA ARG A 55 12.746 -4.802 2.268 1.00 0.00 C ATOM 856 C ARG A 55 13.804 -4.631 1.178 1.00 0.00 C ATOM 857 O ARG A 55 14.858 -4.055 1.418 1.00 0.00 O ATOM 858 CB ARG A 55 12.706 -6.246 2.794 1.00 0.00 C ATOM 859 CG ARG A 55 13.654 -6.537 3.958 1.00 0.00 C ATOM 860 CD ARG A 55 15.061 -6.098 3.652 1.00 0.00 C ATOM 861 NE ARG A 55 15.233 -4.684 3.969 1.00 0.00 N ATOM 862 CZ ARG A 55 15.073 -4.174 5.187 1.00 0.00 C ATOM 863 NH1 ARG A 55 15.042 -4.967 6.251 1.00 0.00 N ATOM 864 NH2 ARG A 55 14.994 -2.862 5.349 1.00 0.00 N ATOM 0 H ARG A 55 10.795 -5.222 1.673 1.00 0.00 H new ATOM 0 HA ARG A 55 13.006 -4.149 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.688 -6.474 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.945 -6.922 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.300 -6.026 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.645 -7.605 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.768 -6.695 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.282 -6.271 2.599 1.00 0.00 H new ATOM 0 HE ARG A 55 15.491 -4.050 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.141 -5.976 6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.919 -4.567 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.056 -2.244 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.871 -2.470 6.283 1.00 0.00 H new ATOM 878 N ARG A 56 13.504 -5.086 -0.028 1.00 0.00 N ATOM 879 CA ARG A 56 14.425 -4.938 -1.145 1.00 0.00 C ATOM 880 C ARG A 56 14.273 -3.553 -1.764 1.00 0.00 C ATOM 881 O ARG A 56 14.185 -3.404 -2.980 1.00 0.00 O ATOM 882 CB ARG A 56 14.189 -6.026 -2.200 1.00 0.00 C ATOM 883 CG ARG A 56 14.158 -7.435 -1.626 1.00 0.00 C ATOM 884 CD ARG A 56 15.440 -7.783 -0.884 1.00 0.00 C ATOM 885 NE ARG A 56 15.280 -8.986 -0.070 1.00 0.00 N ATOM 886 CZ ARG A 56 16.195 -9.451 0.776 1.00 0.00 C ATOM 887 NH1 ARG A 56 17.396 -8.895 0.850 1.00 0.00 N ATOM 888 NH2 ARG A 56 15.905 -10.499 1.531 1.00 0.00 N ATOM 0 H ARG A 56 12.631 -5.560 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 56 15.443 -5.050 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.245 -5.829 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.975 -5.967 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.310 -7.530 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.002 -8.151 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.247 -7.933 -1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.731 -6.948 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 56 14.406 -9.505 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.628 -8.101 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.088 -9.262 1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.988 -10.941 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.598 -10.865 2.184 1.00 0.00 H new ATOM 902 N LEU A 57 14.205 -2.553 -0.897 1.00 0.00 N ATOM 903 CA LEU A 57 14.166 -1.159 -1.298 1.00 0.00 C ATOM 904 C LEU A 57 15.097 -0.387 -0.369 1.00 0.00 C ATOM 905 O LEU A 57 16.050 0.253 -0.812 1.00 0.00 O ATOM 906 CB LEU A 57 12.724 -0.628 -1.217 1.00 0.00 C ATOM 907 CG LEU A 57 12.444 0.718 -1.910 1.00 0.00 C ATOM 908 CD1 LEU A 57 13.045 1.883 -1.137 1.00 0.00 C ATOM 909 CD2 LEU A 57 12.968 0.698 -3.338 1.00 0.00 C ATOM 0 H LEU A 57 14.175 -2.691 0.113 1.00 0.00 H new ATOM 0 HA LEU A 57 14.496 -1.039 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.060 -1.378 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.455 -0.532 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 57 11.364 0.861 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.827 2.816 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.615 1.916 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.125 1.753 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.762 1.657 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.043 0.521 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.474 -0.098 -3.896 1.00 0.00 H new ATOM 921 N ALA A 58 14.817 -0.467 0.929 1.00 0.00 N ATOM 922 CA ALA A 58 15.738 0.051 1.934 1.00 0.00 C ATOM 923 C ALA A 58 16.911 -0.893 2.095 1.00 0.00 C ATOM 924 O ALA A 58 16.725 -2.109 2.067 1.00 0.00 O ATOM 925 CB ALA A 58 15.060 0.236 3.279 1.00 0.00 C ATOM 0 H ALA A 58 13.966 -0.883 1.307 1.00 0.00 H new ATOM 0 HA ALA A 58 16.083 1.025 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.780 0.623 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.235 0.941 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.677 -0.723 3.628 1.00 0.00 H new ATOM 931 N HIS A 59 18.102 -0.334 2.274 1.00 0.00 N ATOM 932 CA HIS A 59 19.336 -1.116 2.304 1.00 0.00 C ATOM 933 C HIS A 59 19.208 -2.366 3.170 1.00 0.00 C ATOM 934 O HIS A 59 19.562 -3.465 2.739 1.00 0.00 O ATOM 935 CB HIS A 59 20.508 -0.263 2.784 1.00 0.00 C ATOM 936 CG HIS A 59 21.770 -0.586 2.057 1.00 0.00 C ATOM 937 ND1 HIS A 59 23.015 -0.605 2.644 1.00 0.00 N ATOM 938 CD2 HIS A 59 21.960 -0.902 0.760 1.00 0.00 C ATOM 939 CE1 HIS A 59 23.921 -0.922 1.736 1.00 0.00 C ATOM 940 NE2 HIS A 59 23.304 -1.107 0.583 1.00 0.00 N ATOM 0 H HIS A 59 18.241 0.668 2.402 1.00 0.00 H new ATOM 0 HA HIS A 59 19.527 -1.442 1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 59 20.270 0.791 2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 59 20.656 -0.418 3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 59 21.195 -0.979 0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 59 24.983 -1.014 1.907 1.00 0.00 H new ATOM 0 HE2 HIS A 59 23.754 -1.361 -0.296 1.00 0.00 H new ATOM 949 N GLY A 60 18.709 -2.201 4.385 1.00 0.00 N ATOM 950 CA GLY A 60 18.436 -3.355 5.214 1.00 0.00 C ATOM 951 C GLY A 60 18.325 -3.031 6.685 1.00 0.00 C ATOM 952 O GLY A 60 19.219 -3.345 7.470 1.00 0.00 O ATOM 0 H GLY A 60 18.490 -1.299 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.507 -3.819 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.228 -4.090 5.071 1.00 0.00 H new ATOM 956 N GLY A 61 17.242 -2.373 7.054 1.00 0.00 N ATOM 957 CA GLY A 61 16.907 -2.236 8.446 1.00 0.00 C ATOM 958 C GLY A 61 15.440 -1.987 8.646 1.00 0.00 C ATOM 959 O GLY A 61 14.612 -2.726 8.116 1.00 0.00 O ATOM 0 H GLY A 61 16.588 -1.930 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 61 17.198 -3.140 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.477 -1.413 8.878 1.00 0.00 H new ATOM 963 N GLN A 62 15.123 -0.942 9.385 1.00 0.00 N ATOM 964 CA GLN A 62 13.757 -0.619 9.725 1.00 0.00 C ATOM 965 C GLN A 62 12.879 -0.564 8.481 1.00 0.00 C ATOM 966 O GLN A 62 13.096 0.244 7.581 1.00 0.00 O ATOM 967 CB GLN A 62 13.755 0.709 10.459 1.00 0.00 C ATOM 968 CG GLN A 62 12.366 1.259 10.750 1.00 0.00 C ATOM 969 CD GLN A 62 12.397 2.509 11.606 1.00 0.00 C ATOM 970 OE1 GLN A 62 12.415 3.628 11.101 1.00 0.00 O ATOM 971 NE2 GLN A 62 12.425 2.326 12.910 1.00 0.00 N ATOM 0 H GLN A 62 15.811 -0.292 9.767 1.00 0.00 H new ATOM 0 HA GLN A 62 13.341 -1.396 10.367 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.292 0.592 11.400 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.306 1.440 9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.864 1.481 9.809 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.775 0.494 11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.409 1.381 13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.463 3.130 13.537 1.00 0.00 H new ATOM 980 N VAL A 63 11.915 -1.456 8.420 1.00 0.00 N ATOM 981 CA VAL A 63 11.039 -1.546 7.274 1.00 0.00 C ATOM 982 C VAL A 63 9.585 -1.662 7.730 1.00 0.00 C ATOM 983 O VAL A 63 9.148 -2.706 8.216 1.00 0.00 O ATOM 984 CB VAL A 63 11.446 -2.739 6.367 1.00 0.00 C ATOM 985 CG1 VAL A 63 11.552 -4.033 7.167 1.00 0.00 C ATOM 986 CG2 VAL A 63 10.469 -2.895 5.212 1.00 0.00 C ATOM 0 H VAL A 63 11.718 -2.134 9.156 1.00 0.00 H new ATOM 0 HA VAL A 63 11.136 -0.635 6.683 1.00 0.00 H new ATOM 0 HB VAL A 63 12.432 -2.523 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.838 -4.849 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.305 -3.918 7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.588 -4.258 7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.773 -3.736 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.468 -3.077 5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.464 -1.984 4.614 1.00 0.00 H new ATOM 996 N ASN A 64 8.842 -0.573 7.605 1.00 0.00 N ATOM 997 CA ASN A 64 7.474 -0.546 8.079 1.00 0.00 C ATOM 998 C ASN A 64 6.527 -0.054 6.996 1.00 0.00 C ATOM 999 O ASN A 64 6.944 0.565 6.013 1.00 0.00 O ATOM 1000 CB ASN A 64 7.367 0.344 9.309 1.00 0.00 C ATOM 1001 CG ASN A 64 6.113 0.064 10.124 1.00 0.00 C ATOM 1002 OD1 ASN A 64 5.660 -1.185 10.124 1.00 0.00 O flip ATOM 1003 ND2 ASN A 64 5.563 0.960 10.762 1.00 0.00 N flip ATOM 0 H ASN A 64 9.164 0.297 7.181 1.00 0.00 H new ATOM 0 HA ASN A 64 7.186 -1.563 8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.245 0.197 9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.369 1.389 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.939 1.908 10.738 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.731 0.755 11.315 1.00 0.00 H new ATOM 1010 N LEU A 65 5.251 -0.321 7.200 1.00 0.00 N ATOM 1011 CA LEU A 65 4.230 -0.011 6.223 1.00 0.00 C ATOM 1012 C LEU A 65 3.024 0.624 6.913 1.00 0.00 C ATOM 1013 O LEU A 65 2.547 0.131 7.937 1.00 0.00 O ATOM 1014 CB LEU A 65 3.868 -1.303 5.471 1.00 0.00 C ATOM 1015 CG LEU A 65 2.678 -1.257 4.519 1.00 0.00 C ATOM 1016 CD1 LEU A 65 2.907 -2.244 3.383 1.00 0.00 C ATOM 1017 CD2 LEU A 65 1.387 -1.599 5.251 1.00 0.00 C ATOM 0 H LEU A 65 4.895 -0.759 8.049 1.00 0.00 H new ATOM 0 HA LEU A 65 4.593 0.716 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.743 -1.616 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.676 -2.080 6.211 1.00 0.00 H new ATOM 0 HG LEU A 65 2.585 -0.248 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.059 -2.215 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.816 -1.975 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.011 -3.250 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.551 -1.560 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.462 -2.602 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.223 -0.880 6.054 1.00 0.00 H new ATOM 1029 N ASP A 66 2.553 1.726 6.354 1.00 0.00 N ATOM 1030 CA ASP A 66 1.411 2.446 6.902 1.00 0.00 C ATOM 1031 C ASP A 66 0.201 2.142 6.038 1.00 0.00 C ATOM 1032 O ASP A 66 0.365 1.631 4.939 1.00 0.00 O ATOM 1033 CB ASP A 66 1.693 3.948 6.909 1.00 0.00 C ATOM 1034 CG ASP A 66 1.030 4.656 8.069 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -0.213 4.690 8.118 1.00 0.00 O ATOM 1036 OD2 ASP A 66 1.763 5.174 8.941 1.00 0.00 O ATOM 0 H ASP A 66 2.947 2.147 5.512 1.00 0.00 H new ATOM 0 HA ASP A 66 1.224 2.131 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.770 4.112 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.343 4.384 5.973 1.00 0.00 H new ATOM 1041 N MET A 67 -1.005 2.443 6.499 1.00 0.00 N ATOM 1042 CA MET A 67 -2.194 2.034 5.753 1.00 0.00 C ATOM 1043 C MET A 67 -3.275 3.109 5.723 1.00 0.00 C ATOM 1044 O MET A 67 -3.492 3.834 6.693 1.00 0.00 O ATOM 1045 CB MET A 67 -2.775 0.731 6.318 1.00 0.00 C ATOM 1046 CG MET A 67 -1.910 -0.494 6.047 1.00 0.00 C ATOM 1047 SD MET A 67 -2.563 -2.003 6.793 1.00 0.00 S ATOM 1048 CE MET A 67 -4.013 -2.281 5.783 1.00 0.00 C ATOM 0 H MET A 67 -1.188 2.955 7.362 1.00 0.00 H new ATOM 0 HA MET A 67 -1.866 1.872 4.726 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.908 0.840 7.394 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.764 0.569 5.889 1.00 0.00 H new ATOM 0 HG2 MET A 67 -1.821 -0.637 4.970 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.905 -0.313 6.428 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.770 -2.802 6.369 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.410 -1.324 5.446 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.743 -2.887 4.918 1.00 0.00 H new ATOM 1058 N GLU A 68 -3.952 3.177 4.587 1.00 0.00 N ATOM 1059 CA GLU A 68 -5.081 4.055 4.368 1.00 0.00 C ATOM 1060 C GLU A 68 -6.194 3.242 3.742 1.00 0.00 C ATOM 1061 O GLU A 68 -5.929 2.268 3.041 1.00 0.00 O ATOM 1062 CB GLU A 68 -4.725 5.197 3.422 1.00 0.00 C ATOM 1063 CG GLU A 68 -3.871 6.291 4.028 1.00 0.00 C ATOM 1064 CD GLU A 68 -3.663 7.418 3.045 1.00 0.00 C ATOM 1065 OE1 GLU A 68 -4.670 7.952 2.527 1.00 0.00 O ATOM 1066 OE2 GLU A 68 -2.504 7.742 2.733 1.00 0.00 O ATOM 0 H GLU A 68 -3.722 2.606 3.773 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.383 4.483 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.201 4.784 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.648 5.642 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.349 6.673 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.906 5.881 4.327 1.00 0.00 H new ATOM 1073 N ASP A 69 -7.422 3.643 3.956 1.00 0.00 N ATOM 1074 CA ASP A 69 -8.551 2.876 3.465 1.00 0.00 C ATOM 1075 C ASP A 69 -9.427 3.727 2.554 1.00 0.00 C ATOM 1076 O ASP A 69 -10.160 4.595 3.013 1.00 0.00 O ATOM 1077 CB ASP A 69 -9.337 2.350 4.657 1.00 0.00 C ATOM 1078 CG ASP A 69 -10.519 1.483 4.268 1.00 0.00 C ATOM 1079 OD1 ASP A 69 -11.611 2.027 4.016 1.00 0.00 O ATOM 1080 OD2 ASP A 69 -10.363 0.244 4.242 1.00 0.00 O ATOM 0 H ASP A 69 -7.670 4.492 4.464 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.196 2.034 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.669 1.774 5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.694 3.194 5.247 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.312 3.492 1.253 1.00 0.00 N ATOM 1086 CA HIS A 70 -10.082 4.237 0.259 1.00 0.00 C ATOM 1087 C HIS A 70 -10.713 3.270 -0.729 1.00 0.00 C ATOM 1088 O HIS A 70 -10.697 3.492 -1.944 1.00 0.00 O ATOM 1089 CB HIS A 70 -9.196 5.225 -0.512 1.00 0.00 C ATOM 1090 CG HIS A 70 -8.449 6.209 0.338 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -8.862 7.506 0.527 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -7.281 6.091 1.014 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -7.984 8.144 1.274 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -7.015 7.308 1.587 1.00 0.00 N ATOM 0 H HIS A 70 -8.689 2.787 0.858 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.852 4.799 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.476 4.658 -1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.821 5.777 -1.215 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.717 7.912 0.147 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.672 5.202 1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.048 9.178 1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.201 7.529 2.161 1.00 0.00 H new ATOM 1103 N ARG A 71 -11.287 2.213 -0.195 1.00 0.00 N ATOM 1104 CA ARG A 71 -11.780 1.115 -1.006 1.00 0.00 C ATOM 1105 C ARG A 71 -13.177 1.416 -1.520 1.00 0.00 C ATOM 1106 O ARG A 71 -14.143 0.712 -1.224 1.00 0.00 O ATOM 1107 CB ARG A 71 -11.746 -0.184 -0.207 1.00 0.00 C ATOM 1108 CG ARG A 71 -10.380 -0.468 0.391 1.00 0.00 C ATOM 1109 CD ARG A 71 -10.390 -1.684 1.297 1.00 0.00 C ATOM 1110 NE ARG A 71 -10.608 -2.925 0.562 1.00 0.00 N ATOM 1111 CZ ARG A 71 -10.817 -4.107 1.145 1.00 0.00 C ATOM 1112 NH1 ARG A 71 -10.828 -4.210 2.471 1.00 0.00 N ATOM 1113 NH2 ARG A 71 -10.999 -5.190 0.397 1.00 0.00 N ATOM 0 H ARG A 71 -11.426 2.089 0.808 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.130 0.995 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.485 -0.133 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -12.034 -1.012 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.659 -0.622 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.046 0.401 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.442 -1.743 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.172 -1.568 2.048 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.600 -2.887 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.676 -3.383 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.988 -5.116 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.979 -5.117 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.159 -6.095 0.840 1.00 0.00 H new ATOM 1127 N ASP A 72 -13.240 2.465 -2.320 1.00 0.00 N ATOM 1128 CA ASP A 72 -14.488 3.024 -2.817 1.00 0.00 C ATOM 1129 C ASP A 72 -14.171 4.256 -3.649 1.00 0.00 C ATOM 1130 O ASP A 72 -14.864 4.588 -4.611 1.00 0.00 O ATOM 1131 CB ASP A 72 -15.390 3.405 -1.638 1.00 0.00 C ATOM 1132 CG ASP A 72 -16.528 4.333 -2.030 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -17.580 3.838 -2.480 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -16.380 5.564 -1.872 1.00 0.00 O ATOM 0 H ASP A 72 -12.412 2.962 -2.649 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.008 2.289 -3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.805 2.498 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.787 3.886 -0.868 1.00 0.00 H new ATOM 1139 N GLU A 73 -13.075 4.900 -3.279 1.00 0.00 N ATOM 1140 CA GLU A 73 -12.675 6.168 -3.858 1.00 0.00 C ATOM 1141 C GLU A 73 -11.891 6.021 -5.154 1.00 0.00 C ATOM 1142 O GLU A 73 -11.739 6.992 -5.898 1.00 0.00 O ATOM 1143 CB GLU A 73 -11.843 6.932 -2.837 1.00 0.00 C ATOM 1144 CG GLU A 73 -12.691 7.822 -1.944 1.00 0.00 C ATOM 1145 CD GLU A 73 -11.907 8.910 -1.250 1.00 0.00 C ATOM 1146 OE1 GLU A 73 -10.920 8.594 -0.558 1.00 0.00 O ATOM 1147 OE2 GLU A 73 -12.273 10.092 -1.401 1.00 0.00 O ATOM 0 H GLU A 73 -12.436 4.553 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.585 6.712 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.291 6.223 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.105 7.543 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.478 8.280 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.182 7.204 -1.192 1.00 0.00 H new ATOM 1154 N ASP A 74 -11.396 4.814 -5.414 1.00 0.00 N ATOM 1155 CA ASP A 74 -10.522 4.551 -6.563 1.00 0.00 C ATOM 1156 C ASP A 74 -9.189 5.282 -6.415 1.00 0.00 C ATOM 1157 O ASP A 74 -9.053 6.196 -5.600 1.00 0.00 O ATOM 1158 CB ASP A 74 -11.186 4.920 -7.897 1.00 0.00 C ATOM 1159 CG ASP A 74 -12.045 3.802 -8.450 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -11.483 2.866 -9.056 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -13.282 3.854 -8.289 1.00 0.00 O ATOM 0 H ASP A 74 -11.586 3.992 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.336 3.477 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.800 5.810 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.415 5.174 -8.624 1.00 0.00 H new ATOM 1166 N PHE A 75 -8.217 4.867 -7.212 1.00 0.00 N ATOM 1167 CA PHE A 75 -6.833 5.319 -7.080 1.00 0.00 C ATOM 1168 C PHE A 75 -6.695 6.833 -7.209 1.00 0.00 C ATOM 1169 O PHE A 75 -6.952 7.409 -8.268 1.00 0.00 O ATOM 1170 CB PHE A 75 -5.979 4.629 -8.140 1.00 0.00 C ATOM 1171 CG PHE A 75 -4.490 4.784 -7.967 1.00 0.00 C ATOM 1172 CD1 PHE A 75 -3.856 4.289 -6.840 1.00 0.00 C ATOM 1173 CD2 PHE A 75 -3.722 5.387 -8.947 1.00 0.00 C ATOM 1174 CE1 PHE A 75 -2.489 4.391 -6.693 1.00 0.00 C ATOM 1175 CE2 PHE A 75 -2.355 5.485 -8.810 1.00 0.00 C ATOM 1176 CZ PHE A 75 -1.737 4.987 -7.683 1.00 0.00 C ATOM 0 H PHE A 75 -8.362 4.204 -7.973 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.492 5.053 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.219 3.566 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.257 5.020 -9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.441 3.816 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.200 5.786 -9.830 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.009 4.005 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.767 5.952 -9.586 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.665 5.064 -7.576 1.00 0.00 H new ATOM 1186 N VAL A 76 -6.300 7.466 -6.110 1.00 0.00 N ATOM 1187 CA VAL A 76 -5.945 8.877 -6.111 1.00 0.00 C ATOM 1188 C VAL A 76 -4.424 9.009 -6.002 1.00 0.00 C ATOM 1189 O VAL A 76 -3.879 10.108 -5.880 1.00 0.00 O ATOM 1190 CB VAL A 76 -6.641 9.635 -4.953 1.00 0.00 C ATOM 1191 CG1 VAL A 76 -6.056 9.249 -3.602 1.00 0.00 C ATOM 1192 CG2 VAL A 76 -6.579 11.142 -5.163 1.00 0.00 C ATOM 0 H VAL A 76 -6.218 7.016 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.287 9.326 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.690 9.339 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.568 9.800 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.187 8.179 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.993 9.491 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.076 11.646 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.538 11.460 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.079 11.400 -6.096 1.00 0.00 H new ATOM 1202 N LYS A 77 -3.763 7.843 -6.069 1.00 0.00 N ATOM 1203 CA LYS A 77 -2.299 7.715 -6.044 1.00 0.00 C ATOM 1204 C LYS A 77 -1.741 7.789 -4.624 1.00 0.00 C ATOM 1205 O LYS A 77 -2.279 8.500 -3.778 1.00 0.00 O ATOM 1206 CB LYS A 77 -1.620 8.747 -6.955 1.00 0.00 C ATOM 1207 CG LYS A 77 -2.192 8.761 -8.366 1.00 0.00 C ATOM 1208 CD LYS A 77 -1.120 8.939 -9.424 1.00 0.00 C ATOM 1209 CE LYS A 77 -0.061 7.855 -9.327 1.00 0.00 C ATOM 1210 NZ LYS A 77 0.597 7.606 -10.633 1.00 0.00 N ATOM 0 H LYS A 77 -4.242 6.945 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.068 6.724 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.728 9.739 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.552 8.534 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.726 7.828 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.920 9.567 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.576 8.917 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.653 9.917 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.690 8.145 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.518 6.932 -8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.610 6.584 -10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.070 8.094 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.573 7.965 -10.604 1.00 0.00 H new ATOM 1224 N PRO A 78 -0.665 7.023 -4.333 1.00 0.00 N ATOM 1225 CA PRO A 78 -0.036 7.015 -3.012 1.00 0.00 C ATOM 1226 C PRO A 78 0.653 8.338 -2.740 1.00 0.00 C ATOM 1227 O PRO A 78 0.123 9.175 -2.005 1.00 0.00 O ATOM 1228 CB PRO A 78 0.985 5.870 -3.093 1.00 0.00 C ATOM 1229 CG PRO A 78 0.606 5.104 -4.313 1.00 0.00 C ATOM 1230 CD PRO A 78 0.036 6.122 -5.251 1.00 0.00 C ATOM 0 HA PRO A 78 -0.754 6.877 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.003 6.253 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.945 5.241 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.471 4.606 -4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.125 4.329 -4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.813 6.638 -5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.641 5.673 -5.978 1.00 0.00 H new ATOM 1238 N LYS A 79 1.823 8.523 -3.355 1.00 0.00 N ATOM 1239 CA LYS A 79 2.521 9.804 -3.361 1.00 0.00 C ATOM 1240 C LYS A 79 2.991 10.193 -1.952 1.00 0.00 C ATOM 1241 O LYS A 79 4.173 10.063 -1.634 1.00 0.00 O ATOM 1242 CB LYS A 79 1.607 10.872 -3.981 1.00 0.00 C ATOM 1243 CG LYS A 79 0.995 10.456 -5.331 1.00 0.00 C ATOM 1244 CD LYS A 79 1.995 10.544 -6.489 1.00 0.00 C ATOM 1245 CE LYS A 79 3.107 9.511 -6.377 1.00 0.00 C ATOM 1246 NZ LYS A 79 4.049 9.573 -7.523 1.00 0.00 N ATOM 0 H LYS A 79 2.311 7.786 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 79 3.422 9.721 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.802 11.099 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.178 11.790 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.622 9.435 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.138 11.093 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.467 10.404 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.432 11.542 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.656 9.670 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.670 8.514 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.789 8.852 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.532 9.395 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.487 10.515 -7.562 1.00 0.00 H new ATOM 1260 N GLY A 80 2.075 10.648 -1.111 1.00 0.00 N ATOM 1261 CA GLY A 80 2.428 10.987 0.252 1.00 0.00 C ATOM 1262 C GLY A 80 2.430 12.478 0.491 1.00 0.00 C ATOM 1263 O GLY A 80 3.415 13.153 0.196 1.00 0.00 O ATOM 0 H GLY A 80 1.093 10.789 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.724 10.513 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.415 10.584 0.480 1.00 0.00 H new ATOM 1267 N ALA A 81 1.300 12.986 0.987 1.00 0.00 N ATOM 1268 CA ALA A 81 1.130 14.401 1.346 1.00 0.00 C ATOM 1269 C ALA A 81 1.028 15.306 0.124 1.00 0.00 C ATOM 1270 O ALA A 81 0.313 16.307 0.153 1.00 0.00 O ATOM 1271 CB ALA A 81 2.244 14.877 2.258 1.00 0.00 C ATOM 0 H ALA A 81 0.466 12.423 1.154 1.00 0.00 H new ATOM 0 HA ALA A 81 0.184 14.467 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.089 15.927 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.243 14.285 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.203 14.761 1.752 1.00 0.00 H new ATOM 1277 N PHE A 82 1.756 14.962 -0.933 1.00 0.00 N ATOM 1278 CA PHE A 82 1.682 15.693 -2.195 1.00 0.00 C ATOM 1279 C PHE A 82 0.234 15.815 -2.654 1.00 0.00 C ATOM 1280 O PHE A 82 -0.187 16.854 -3.165 1.00 0.00 O ATOM 1281 CB PHE A 82 2.514 14.991 -3.272 1.00 0.00 C ATOM 1282 CG PHE A 82 3.962 14.827 -2.903 1.00 0.00 C ATOM 1283 CD1 PHE A 82 4.772 15.936 -2.714 1.00 0.00 C ATOM 1284 CD2 PHE A 82 4.510 13.566 -2.738 1.00 0.00 C ATOM 1285 CE1 PHE A 82 6.101 15.789 -2.367 1.00 0.00 C ATOM 1286 CE2 PHE A 82 5.838 13.412 -2.392 1.00 0.00 C ATOM 1287 CZ PHE A 82 6.635 14.525 -2.207 1.00 0.00 C ATOM 0 H PHE A 82 2.408 14.177 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 82 2.087 16.692 -2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.084 14.009 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.446 15.560 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.359 16.926 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.891 12.692 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.722 16.661 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.253 12.423 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.674 14.407 -1.938 1.00 0.00 H new ATOM 1297 N LYS A 83 -0.520 14.739 -2.470 1.00 0.00 N ATOM 1298 CA LYS A 83 -1.943 14.745 -2.742 1.00 0.00 C ATOM 1299 C LYS A 83 -2.642 13.644 -1.960 1.00 0.00 C ATOM 1300 O LYS A 83 -2.178 12.503 -1.925 1.00 0.00 O ATOM 1301 CB LYS A 83 -2.213 14.564 -4.235 1.00 0.00 C ATOM 1302 CG LYS A 83 -1.584 13.308 -4.814 1.00 0.00 C ATOM 1303 CD LYS A 83 -2.061 13.021 -6.236 1.00 0.00 C ATOM 1304 CE LYS A 83 -1.570 14.052 -7.254 1.00 0.00 C ATOM 1305 NZ LYS A 83 -2.281 15.359 -7.150 1.00 0.00 N ATOM 0 H LYS A 83 -0.162 13.846 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.338 15.711 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.290 14.532 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.834 15.433 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.499 13.414 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.822 12.458 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.716 12.031 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.151 12.997 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.501 14.214 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.701 13.652 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.554 15.682 -8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.133 15.245 -6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.652 16.062 -6.712 1.00 0.00 H new ATOM 1319 N ALA A 84 -3.719 14.022 -1.287 1.00 0.00 N ATOM 1320 CA ALA A 84 -4.651 13.071 -0.693 1.00 0.00 C ATOM 1321 C ALA A 84 -3.985 12.165 0.332 1.00 0.00 C ATOM 1322 O ALA A 84 -4.104 10.937 0.270 1.00 0.00 O ATOM 1323 CB ALA A 84 -5.327 12.247 -1.778 1.00 0.00 C ATOM 0 H ALA A 84 -3.973 14.998 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 84 -5.405 13.649 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.020 11.541 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.874 12.909 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.572 11.700 -2.343 1.00 0.00 H new ATOM 1329 N PHE A 85 -3.288 12.765 1.280 1.00 0.00 N ATOM 1330 CA PHE A 85 -2.746 12.012 2.393 1.00 0.00 C ATOM 1331 C PHE A 85 -3.782 12.001 3.514 1.00 0.00 C ATOM 1332 O PHE A 85 -3.541 12.479 4.623 1.00 0.00 O ATOM 1333 CB PHE A 85 -1.422 12.614 2.875 1.00 0.00 C ATOM 1334 CG PHE A 85 -0.676 11.733 3.837 1.00 0.00 C ATOM 1335 CD1 PHE A 85 -0.135 10.529 3.416 1.00 0.00 C ATOM 1336 CD2 PHE A 85 -0.515 12.108 5.161 1.00 0.00 C ATOM 1337 CE1 PHE A 85 0.550 9.716 4.297 1.00 0.00 C ATOM 1338 CE2 PHE A 85 0.168 11.300 6.047 1.00 0.00 C ATOM 1339 CZ PHE A 85 0.702 10.102 5.614 1.00 0.00 C ATOM 0 H PHE A 85 -3.086 13.765 1.301 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.533 10.991 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.788 12.814 2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.621 13.573 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.250 10.223 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.929 13.045 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.966 8.779 3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.285 11.604 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.238 9.468 6.305 1.00 0.00 H new ATOM 1349 N THR A 86 -4.948 11.469 3.196 1.00 0.00 N ATOM 1350 CA THR A 86 -6.086 11.525 4.092 1.00 0.00 C ATOM 1351 C THR A 86 -6.475 10.128 4.572 1.00 0.00 C ATOM 1352 O THR A 86 -7.463 9.546 4.123 1.00 0.00 O ATOM 1353 CB THR A 86 -7.287 12.239 3.411 1.00 0.00 C ATOM 1354 OG1 THR A 86 -8.473 12.132 4.211 1.00 0.00 O ATOM 1355 CG2 THR A 86 -7.551 11.686 2.013 1.00 0.00 C ATOM 0 H THR A 86 -5.131 10.989 2.315 1.00 0.00 H new ATOM 0 HA THR A 86 -5.800 12.108 4.968 1.00 0.00 H new ATOM 0 HB THR A 86 -7.020 13.292 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.811 11.213 4.174 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.398 12.209 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.667 11.831 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.777 10.622 2.079 1.00 0.00 H new ATOM 1363 N GLY A 87 -5.673 9.586 5.477 1.00 0.00 N ATOM 1364 CA GLY A 87 -5.987 8.300 6.065 1.00 0.00 C ATOM 1365 C GLY A 87 -6.928 8.450 7.238 1.00 0.00 C ATOM 1366 O GLY A 87 -7.929 7.734 7.351 1.00 0.00 O ATOM 0 H GLY A 87 -4.811 10.014 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.440 7.654 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.068 7.813 6.392 1.00 0.00 H new ATOM 1370 N GLU A 88 -6.617 9.399 8.100 1.00 0.00 N ATOM 1371 CA GLU A 88 -7.456 9.697 9.244 1.00 0.00 C ATOM 1372 C GLU A 88 -8.520 10.713 8.840 1.00 0.00 C ATOM 1373 O GLU A 88 -8.310 11.924 8.928 1.00 0.00 O ATOM 1374 CB GLU A 88 -6.599 10.224 10.397 1.00 0.00 C ATOM 1375 CG GLU A 88 -7.362 10.434 11.693 1.00 0.00 C ATOM 1376 CD GLU A 88 -6.439 10.730 12.854 1.00 0.00 C ATOM 1377 OE1 GLU A 88 -5.916 11.860 12.933 1.00 0.00 O ATOM 1378 OE2 GLU A 88 -6.223 9.828 13.690 1.00 0.00 O ATOM 0 H GLU A 88 -5.782 9.981 8.028 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.954 8.789 9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.783 9.524 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.147 11.170 10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.065 11.258 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.950 9.544 11.916 1.00 0.00 H new ATOM 1385 N GLY A 89 -9.646 10.208 8.364 1.00 0.00 N ATOM 1386 CA GLY A 89 -10.705 11.066 7.874 1.00 0.00 C ATOM 1387 C GLY A 89 -11.332 10.508 6.613 1.00 0.00 C ATOM 1388 O GLY A 89 -11.109 11.022 5.519 1.00 0.00 O ATOM 0 H GLY A 89 -9.848 9.210 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.469 11.178 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.306 12.060 7.674 1.00 0.00 H new ATOM 1392 N GLN A 90 -12.102 9.439 6.764 1.00 0.00 N ATOM 1393 CA GLN A 90 -12.744 8.789 5.630 1.00 0.00 C ATOM 1394 C GLN A 90 -14.206 9.197 5.527 1.00 0.00 C ATOM 1395 O GLN A 90 -14.764 9.793 6.450 1.00 0.00 O ATOM 1396 CB GLN A 90 -12.642 7.265 5.751 1.00 0.00 C ATOM 1397 CG GLN A 90 -11.215 6.746 5.785 1.00 0.00 C ATOM 1398 CD GLN A 90 -10.381 7.242 4.620 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -10.893 7.510 3.532 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -9.088 7.368 4.846 1.00 0.00 N ATOM 0 H GLN A 90 -12.298 9.002 7.665 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.225 9.109 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.156 6.947 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.165 6.808 4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.744 7.052 6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.229 5.656 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.705 7.135 5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.471 7.699 4.105 1.00 0.00 H new ATOM 1409 N LYS A 91 -14.813 8.864 4.399 1.00 0.00 N ATOM 1410 CA LYS A 91 -16.198 9.213 4.130 1.00 0.00 C ATOM 1411 C LYS A 91 -17.148 8.355 4.953 1.00 0.00 C ATOM 1412 O LYS A 91 -17.360 7.181 4.648 1.00 0.00 O ATOM 1413 CB LYS A 91 -16.500 9.034 2.640 1.00 0.00 C ATOM 1414 CG LYS A 91 -17.946 9.321 2.266 1.00 0.00 C ATOM 1415 CD LYS A 91 -18.217 8.991 0.807 1.00 0.00 C ATOM 1416 CE LYS A 91 -17.982 7.517 0.510 1.00 0.00 C ATOM 1417 NZ LYS A 91 -18.218 7.195 -0.922 1.00 0.00 N ATOM 0 H LYS A 91 -14.360 8.345 3.646 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.347 10.256 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.849 9.693 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.256 8.012 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.611 8.737 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.170 10.372 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.246 9.252 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.572 9.598 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.959 7.251 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.642 6.912 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.583 6.425 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.206 6.897 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.031 8.037 -1.503 1.00 0.00 H new ATOM 1431 N LEU A 92 -17.719 8.941 5.993 1.00 0.00 N ATOM 1432 CA LEU A 92 -18.729 8.256 6.781 1.00 0.00 C ATOM 1433 C LEU A 92 -20.098 8.543 6.175 1.00 0.00 C ATOM 1434 O LEU A 92 -20.952 9.190 6.784 1.00 0.00 O ATOM 1435 CB LEU A 92 -18.672 8.706 8.248 1.00 0.00 C ATOM 1436 CG LEU A 92 -19.005 7.628 9.294 1.00 0.00 C ATOM 1437 CD1 LEU A 92 -20.451 7.170 9.182 1.00 0.00 C ATOM 1438 CD2 LEU A 92 -18.061 6.440 9.157 1.00 0.00 C ATOM 0 H LEU A 92 -17.501 9.886 6.310 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.542 7.182 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -17.671 9.087 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -19.363 9.539 8.380 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.871 8.073 10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -20.651 6.409 9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -21.115 8.020 9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.625 6.753 8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.312 5.688 9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.161 6.009 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -17.034 6.772 9.307 1.00 0.00 H new ATOM 1450 N GLY A 93 -20.276 8.082 4.951 1.00 0.00 N ATOM 1451 CA GLY A 93 -21.518 8.283 4.242 1.00 0.00 C ATOM 1452 C GLY A 93 -21.874 7.063 3.429 1.00 0.00 C ATOM 1453 O GLY A 93 -21.017 6.206 3.206 1.00 0.00 O ATOM 0 H GLY A 93 -19.570 7.564 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.317 8.498 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -21.432 9.150 3.587 1.00 0.00 H new ATOM 1457 N SER A 94 -23.125 6.984 2.988 1.00 0.00 N ATOM 1458 CA SER A 94 -23.618 5.817 2.262 1.00 0.00 C ATOM 1459 C SER A 94 -23.476 4.568 3.127 1.00 0.00 C ATOM 1460 O SER A 94 -22.922 3.555 2.702 1.00 0.00 O ATOM 1461 CB SER A 94 -22.865 5.641 0.937 1.00 0.00 C ATOM 1462 OG SER A 94 -22.989 6.795 0.121 1.00 0.00 O ATOM 0 H SER A 94 -23.820 7.718 3.121 1.00 0.00 H new ATOM 0 HA SER A 94 -24.673 5.970 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 94 -21.812 5.445 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.255 4.773 0.406 1.00 0.00 H new ATOM 0 HG SER A 94 -22.499 6.658 -0.716 1.00 0.00 H new ATOM 1468 N THR A 95 -23.988 4.660 4.346 1.00 0.00 N ATOM 1469 CA THR A 95 -23.853 3.593 5.322 1.00 0.00 C ATOM 1470 C THR A 95 -24.808 2.441 5.025 1.00 0.00 C ATOM 1471 O THR A 95 -25.853 2.298 5.663 1.00 0.00 O ATOM 1472 CB THR A 95 -24.096 4.124 6.745 1.00 0.00 C ATOM 1473 OG1 THR A 95 -25.271 4.954 6.765 1.00 0.00 O ATOM 1474 CG2 THR A 95 -22.896 4.921 7.235 1.00 0.00 C ATOM 0 H THR A 95 -24.505 5.472 4.683 1.00 0.00 H new ATOM 0 HA THR A 95 -22.833 3.215 5.254 1.00 0.00 H new ATOM 0 HB THR A 95 -24.242 3.272 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 95 -26.034 4.449 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 95 -23.089 5.287 8.243 1.00 0.00 H new ATOM 0 HG22 THR A 95 -22.014 4.281 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.724 5.766 6.569 1.00 0.00 H new ATOM 1482 N ALA A 96 -24.449 1.635 4.042 1.00 0.00 N ATOM 1483 CA ALA A 96 -25.228 0.466 3.684 1.00 0.00 C ATOM 1484 C ALA A 96 -24.334 -0.765 3.657 1.00 0.00 C ATOM 1485 O ALA A 96 -23.600 -0.987 2.696 1.00 0.00 O ATOM 1486 CB ALA A 96 -25.901 0.672 2.333 1.00 0.00 C ATOM 0 H ALA A 96 -23.614 1.772 3.473 1.00 0.00 H new ATOM 0 HA ALA A 96 -26.006 0.315 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -26.482 -0.214 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -26.562 1.537 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -25.141 0.840 1.570 1.00 0.00 H new ATOM 1492 N PRO A 97 -24.367 -1.563 4.741 1.00 0.00 N ATOM 1493 CA PRO A 97 -23.579 -2.798 4.851 1.00 0.00 C ATOM 1494 C PRO A 97 -23.857 -3.747 3.693 1.00 0.00 C ATOM 1495 O PRO A 97 -22.928 -4.219 3.041 1.00 0.00 O ATOM 1496 CB PRO A 97 -24.054 -3.407 6.174 1.00 0.00 C ATOM 1497 CG PRO A 97 -24.571 -2.252 6.955 1.00 0.00 C ATOM 1498 CD PRO A 97 -25.172 -1.316 5.949 1.00 0.00 C ATOM 0 HA PRO A 97 -22.506 -2.610 4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.831 -4.154 6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.238 -3.905 6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -25.315 -2.574 7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -23.770 -1.766 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -26.228 -1.529 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -25.104 -0.278 6.273 1.00 0.00 H new ATOM 1506 N GLN A 98 -25.139 -4.022 3.454 1.00 0.00 N ATOM 1507 CA GLN A 98 -25.576 -4.824 2.311 1.00 0.00 C ATOM 1508 C GLN A 98 -24.984 -6.232 2.306 1.00 0.00 C ATOM 1509 O GLN A 98 -24.215 -6.619 3.192 1.00 0.00 O ATOM 1510 CB GLN A 98 -25.239 -4.113 0.995 1.00 0.00 C ATOM 1511 CG GLN A 98 -26.230 -3.027 0.627 1.00 0.00 C ATOM 1512 CD GLN A 98 -27.601 -3.593 0.314 1.00 0.00 C ATOM 1513 OE1 GLN A 98 -27.724 -4.715 -0.179 1.00 0.00 O ATOM 1514 NE2 GLN A 98 -28.640 -2.831 0.613 1.00 0.00 N ATOM 0 H GLN A 98 -25.903 -3.696 4.046 1.00 0.00 H new ATOM 0 HA GLN A 98 -26.656 -4.931 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -24.244 -3.676 1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -25.203 -4.849 0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -26.310 -2.316 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -25.859 -2.475 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -28.495 -1.907 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -29.587 -3.167 0.436 1.00 0.00 H new ATOM 1523 N VAL A 99 -25.370 -7.003 1.302 1.00 0.00 N ATOM 1524 CA VAL A 99 -24.836 -8.341 1.116 1.00 0.00 C ATOM 1525 C VAL A 99 -23.583 -8.286 0.242 1.00 0.00 C ATOM 1526 O VAL A 99 -22.683 -9.118 0.369 1.00 0.00 O ATOM 1527 CB VAL A 99 -25.891 -9.289 0.489 1.00 0.00 C ATOM 1528 CG1 VAL A 99 -26.334 -8.795 -0.881 1.00 0.00 C ATOM 1529 CG2 VAL A 99 -25.363 -10.716 0.407 1.00 0.00 C ATOM 0 H VAL A 99 -26.055 -6.722 0.600 1.00 0.00 H new ATOM 0 HA VAL A 99 -24.572 -8.740 2.095 1.00 0.00 H new ATOM 0 HB VAL A 99 -26.764 -9.288 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -27.074 -9.481 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -26.774 -7.802 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -25.472 -8.747 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.122 -11.360 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -24.465 -10.737 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -25.124 -11.074 1.409 1.00 0.00 H new ATOM 1539 N LEU A 100 -23.522 -7.280 -0.625 1.00 0.00 N ATOM 1540 CA LEU A 100 -22.387 -7.097 -1.517 1.00 0.00 C ATOM 1541 C LEU A 100 -22.139 -5.625 -1.789 1.00 0.00 C ATOM 1542 O LEU A 100 -23.083 -4.868 -2.033 1.00 0.00 O ATOM 1543 CB LEU A 100 -22.617 -7.811 -2.843 1.00 0.00 C ATOM 1544 CG LEU A 100 -22.311 -9.306 -2.822 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -22.825 -9.983 -4.083 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -20.815 -9.538 -2.671 1.00 0.00 C ATOM 0 H LEU A 100 -24.252 -6.575 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 100 -21.515 -7.524 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -23.656 -7.671 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.000 -7.338 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.823 -9.746 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -22.595 -11.048 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -23.904 -9.848 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -22.345 -9.540 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -20.612 -10.609 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -20.289 -9.080 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -20.470 -9.092 -1.738 1.00 0.00 H new ATOM 1558 N SER A 101 -20.871 -5.231 -1.740 1.00 0.00 N ATOM 1559 CA SER A 101 -20.456 -3.883 -2.109 1.00 0.00 C ATOM 1560 C SER A 101 -21.083 -2.825 -1.197 1.00 0.00 C ATOM 1561 O SER A 101 -21.539 -3.124 -0.092 1.00 0.00 O ATOM 1562 CB SER A 101 -20.813 -3.608 -3.574 1.00 0.00 C ATOM 1563 OG SER A 101 -20.153 -4.524 -4.435 1.00 0.00 O ATOM 0 H SER A 101 -20.104 -5.835 -1.444 1.00 0.00 H new ATOM 0 HA SER A 101 -19.375 -3.820 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.892 -3.686 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.531 -2.588 -3.836 1.00 0.00 H new ATOM 0 HG SER A 101 -20.396 -4.332 -5.365 1.00 0.00 H new ATOM 1569 N THR A 102 -21.084 -1.590 -1.670 1.00 0.00 N ATOM 1570 CA THR A 102 -21.595 -0.458 -0.910 1.00 0.00 C ATOM 1571 C THR A 102 -22.029 0.645 -1.871 1.00 0.00 C ATOM 1572 O THR A 102 -21.141 1.307 -2.454 1.00 0.00 O ATOM 1573 CB THR A 102 -20.530 0.097 0.062 1.00 0.00 C ATOM 1574 OG1 THR A 102 -19.996 -0.968 0.865 1.00 0.00 O ATOM 1575 CG2 THR A 102 -21.124 1.168 0.971 1.00 0.00 C ATOM 1576 OXT THR A 102 -23.247 0.819 -2.072 1.00 0.00 O ATOM 0 H THR A 102 -20.730 -1.342 -2.594 1.00 0.00 H new ATOM 0 HA THR A 102 -22.446 -0.801 -0.322 1.00 0.00 H new ATOM 0 HB THR A 102 -19.733 0.546 -0.531 1.00 0.00 H new ATOM 0 HG1 THR A 102 -19.321 -0.609 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 102 -20.353 1.542 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 102 -21.505 1.990 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 102 -21.939 0.739 1.554 1.00 0.00 H new TER 1584 THR A 102