USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 793 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 88 THR OG1 : rot 71:sc= -1.2 USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= -0.766 F(o=-3.4,f=-2) USER MOD Set 2.1: A 47 MET CE :methyl -116:sc= -0.417 (180deg=-1.24) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -16! C(o=-16!,f=-29!) USER MOD Set 2.3: A 79 THR OG1 : rot 85:sc= 0.145 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 GLN : amide:sc=-0.00105 X(o=-0.0011,f=0.045) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -167:sc= 1.1 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 157:sc= -2.65 (180deg=-4.54!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.4!) USER MOD Single : A 50 ASN : amide:sc= -5.04! C(o=-5!,f=-9.5!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -3.32! C(o=-4.7!,f=-3.3!) USER MOD Single : A 57 SER OG : rot -95:sc= -0.0549 USER MOD Single : A 60 ASN : amide:sc= -1.88! C(o=-1.9!,f=-2.5!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -145:sc= -0.32 (180deg=-1.68!) USER MOD Single : A 71 GLN : amide:sc=-0.00987 X(o=-0.0099,f=-0.18) USER MOD Single : A 76 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.23) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.41! C(o=-2.4!,f=-3.4!) USER MOD Single : A 106 ASN : amide:sc=-0.00754 X(o=-0.0075,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 6 5.817 12.804 7.598 1.00 0.00 N ATOM 74 CA LYS A 6 6.394 11.972 6.556 1.00 0.00 C ATOM 75 C LYS A 6 5.664 10.628 6.520 1.00 0.00 C ATOM 76 O LYS A 6 6.237 9.617 6.117 1.00 0.00 O ATOM 77 CB LYS A 6 7.906 11.846 6.747 1.00 0.00 C ATOM 78 CG LYS A 6 8.237 10.874 7.881 1.00 0.00 C ATOM 79 CD LYS A 6 9.750 10.732 8.058 1.00 0.00 C ATOM 80 CE LYS A 6 10.248 9.410 7.469 1.00 0.00 C ATOM 81 NZ LYS A 6 10.594 8.459 8.549 1.00 0.00 N ATOM 0 HA LYS A 6 6.257 12.435 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.365 11.500 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.331 12.825 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.790 11.228 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.799 9.899 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.257 11.565 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.002 10.781 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.479 8.978 6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.121 9.590 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.930 7.567 8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.343 8.867 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.752 8.273 9.131 1.00 0.00 H new ATOM 95 N ILE A 7 4.410 10.660 6.947 1.00 0.00 N ATOM 96 CA ILE A 7 3.596 9.456 6.969 1.00 0.00 C ATOM 97 C ILE A 7 2.338 9.682 6.129 1.00 0.00 C ATOM 98 O ILE A 7 1.335 10.189 6.630 1.00 0.00 O ATOM 99 CB ILE A 7 3.306 9.032 8.410 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.444 7.768 8.446 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.675 10.179 9.203 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.313 6.510 8.385 1.00 0.00 C ATOM 0 H ILE A 7 3.938 11.500 7.280 1.00 0.00 H new ATOM 0 HA ILE A 7 4.135 8.622 6.519 1.00 0.00 H new ATOM 0 HB ILE A 7 4.253 8.790 8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.846 7.757 9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.748 7.774 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.479 9.851 10.224 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.358 11.029 9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.738 10.475 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.676 5.626 8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.892 6.512 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.991 6.495 9.238 1.00 0.00 H new ATOM 114 N LYS A 8 2.431 9.294 4.865 1.00 0.00 N ATOM 115 CA LYS A 8 1.312 9.447 3.951 1.00 0.00 C ATOM 116 C LYS A 8 0.922 8.076 3.395 1.00 0.00 C ATOM 117 O LYS A 8 1.786 7.241 3.130 1.00 0.00 O ATOM 118 CB LYS A 8 1.642 10.479 2.869 1.00 0.00 C ATOM 119 CG LYS A 8 0.626 11.623 2.876 1.00 0.00 C ATOM 120 CD LYS A 8 1.237 12.901 2.298 1.00 0.00 C ATOM 121 CE LYS A 8 0.346 13.487 1.200 1.00 0.00 C ATOM 122 NZ LYS A 8 0.372 14.966 1.246 1.00 0.00 N ATOM 0 H LYS A 8 3.264 8.874 4.453 1.00 0.00 H new ATOM 0 HA LYS A 8 0.441 9.837 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.644 10.876 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.646 9.998 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.251 11.339 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.286 11.807 3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.372 13.635 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.225 12.685 1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.687 13.142 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.677 13.131 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.289 15.347 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.090 15.289 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.333 15.303 1.037 1.00 0.00 H new ATOM 136 N VAL A 9 -0.379 7.887 3.234 1.00 0.00 N ATOM 137 CA VAL A 9 -0.894 6.632 2.714 1.00 0.00 C ATOM 138 C VAL A 9 -1.262 6.808 1.239 1.00 0.00 C ATOM 139 O VAL A 9 -2.002 7.724 0.886 1.00 0.00 O ATOM 140 CB VAL A 9 -2.069 6.154 3.570 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.419 4.698 3.256 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.772 6.338 5.060 1.00 0.00 C ATOM 0 H VAL A 9 -1.092 8.582 3.455 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.132 5.855 2.768 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.935 6.767 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.257 4.383 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.693 4.608 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.556 4.064 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.623 5.991 5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.887 5.761 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.595 7.393 5.268 1.00 0.00 H new ATOM 152 N LEU A 10 -0.728 5.915 0.419 1.00 0.00 N ATOM 153 CA LEU A 10 -0.991 5.960 -1.010 1.00 0.00 C ATOM 154 C LEU A 10 -1.908 4.797 -1.392 1.00 0.00 C ATOM 155 O LEU A 10 -1.538 3.634 -1.241 1.00 0.00 O ATOM 156 CB LEU A 10 0.322 5.992 -1.795 1.00 0.00 C ATOM 157 CG LEU A 10 0.269 5.419 -3.213 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.841 4.001 -3.253 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.152 5.480 -3.776 1.00 0.00 C ATOM 0 H LEU A 10 -0.115 5.156 0.716 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.515 6.879 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.662 7.026 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.074 5.441 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 10 0.896 6.037 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.791 3.617 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.879 4.018 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.260 3.356 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.162 5.067 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.821 4.900 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.488 6.517 -3.805 1.00 0.00 H new ATOM 171 N ILE A 11 -3.088 5.151 -1.880 1.00 0.00 N ATOM 172 CA ILE A 11 -4.061 4.152 -2.285 1.00 0.00 C ATOM 173 C ILE A 11 -4.661 4.548 -3.636 1.00 0.00 C ATOM 174 O ILE A 11 -5.431 5.503 -3.721 1.00 0.00 O ATOM 175 CB ILE A 11 -5.105 3.944 -1.186 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.103 5.103 -1.151 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.435 3.723 0.172 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.291 4.831 -2.076 1.00 0.00 C ATOM 0 H ILE A 11 -3.392 6.117 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.578 3.184 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.669 3.041 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.458 5.251 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.606 6.025 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.199 3.578 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.798 2.840 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.830 4.594 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.985 5.670 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.935 4.707 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.800 3.922 -1.757 1.00 0.00 H new ATOM 190 N VAL A 12 -4.286 3.793 -4.658 1.00 0.00 N ATOM 191 CA VAL A 12 -4.777 4.053 -6.000 1.00 0.00 C ATOM 192 C VAL A 12 -5.256 2.742 -6.627 1.00 0.00 C ATOM 193 O VAL A 12 -4.538 1.743 -6.609 1.00 0.00 O ATOM 194 CB VAL A 12 -3.695 4.751 -6.827 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.483 3.839 -7.025 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.252 5.222 -8.172 1.00 0.00 C ATOM 0 H VAL A 12 -3.648 3.001 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.631 4.729 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.366 5.631 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.729 4.359 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.064 3.574 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.791 2.933 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.463 5.715 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.622 4.364 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.069 5.923 -8.002 1.00 0.00 H new ATOM 206 N ASP A 13 -6.465 2.788 -7.166 1.00 0.00 N ATOM 207 CA ASP A 13 -7.048 1.616 -7.796 1.00 0.00 C ATOM 208 C ASP A 13 -7.778 2.039 -9.073 1.00 0.00 C ATOM 209 O ASP A 13 -8.373 3.114 -9.124 1.00 0.00 O ATOM 210 CB ASP A 13 -8.064 0.941 -6.872 1.00 0.00 C ATOM 211 CG ASP A 13 -7.509 0.493 -5.519 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.161 1.392 -4.723 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.446 -0.737 -5.310 1.00 0.00 O ATOM 0 H ASP A 13 -7.057 3.619 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.242 0.916 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.890 1.631 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.477 0.072 -7.384 1.00 0.00 H new ATOM 218 N ASP A 14 -7.708 1.171 -10.072 1.00 0.00 N ATOM 219 CA ASP A 14 -8.355 1.441 -11.344 1.00 0.00 C ATOM 220 C ASP A 14 -9.850 1.671 -11.113 1.00 0.00 C ATOM 221 O ASP A 14 -10.428 2.612 -11.655 1.00 0.00 O ATOM 222 CB ASP A 14 -8.201 0.258 -12.302 1.00 0.00 C ATOM 223 CG ASP A 14 -8.051 0.636 -13.777 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.068 1.344 -14.085 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.923 0.208 -14.564 1.00 0.00 O ATOM 0 H ASP A 14 -7.213 0.280 -10.026 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.885 2.322 -11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.329 -0.323 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.070 -0.392 -12.195 1.00 0.00 H new ATOM 230 N GLN A 15 -10.433 0.795 -10.308 1.00 0.00 N ATOM 231 CA GLN A 15 -11.849 0.891 -9.998 1.00 0.00 C ATOM 232 C GLN A 15 -12.064 1.761 -8.758 1.00 0.00 C ATOM 233 O GLN A 15 -11.271 1.715 -7.819 1.00 0.00 O ATOM 234 CB GLN A 15 -12.464 -0.497 -9.808 1.00 0.00 C ATOM 235 CG GLN A 15 -13.759 -0.638 -10.612 1.00 0.00 C ATOM 236 CD GLN A 15 -14.436 -1.980 -10.328 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.584 -2.403 -9.193 1.00 0.00 O ATOM 238 NE2 GLN A 15 -14.838 -2.624 -11.420 1.00 0.00 N ATOM 0 H GLN A 15 -9.950 0.015 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.354 1.364 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.752 -1.260 -10.122 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.668 -0.667 -8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.438 0.177 -10.360 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.541 -0.554 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.683 -2.213 -12.341 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.301 -3.529 -11.337 1.00 0.00 H new ATOM 247 N VAL A 16 -13.140 2.533 -8.795 1.00 0.00 N ATOM 248 CA VAL A 16 -13.469 3.412 -7.685 1.00 0.00 C ATOM 249 C VAL A 16 -13.942 2.571 -6.497 1.00 0.00 C ATOM 250 O VAL A 16 -13.564 2.834 -5.357 1.00 0.00 O ATOM 251 CB VAL A 16 -14.499 4.452 -8.129 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.322 4.951 -6.939 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.824 5.616 -8.857 1.00 0.00 C ATOM 0 H VAL A 16 -13.795 2.568 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.587 3.965 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.181 3.971 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.047 5.689 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.847 4.112 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.659 5.407 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.579 6.341 -9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.108 6.096 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.304 5.241 -9.738 1.00 0.00 H new ATOM 263 N THR A 17 -14.761 1.577 -6.806 1.00 0.00 N ATOM 264 CA THR A 17 -15.289 0.696 -5.778 1.00 0.00 C ATOM 265 C THR A 17 -14.147 0.028 -5.009 1.00 0.00 C ATOM 266 O THR A 17 -14.242 -0.171 -3.799 1.00 0.00 O ATOM 267 CB THR A 17 -16.234 -0.302 -6.450 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.526 0.070 -5.977 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.044 -1.729 -5.932 1.00 0.00 C ATOM 0 H THR A 17 -15.072 1.362 -7.753 1.00 0.00 H new ATOM 0 HA THR A 17 -15.857 1.254 -5.034 1.00 0.00 H new ATOM 0 HB THR A 17 -16.074 -0.283 -7.528 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.200 -0.526 -6.365 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.739 -2.397 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.021 -2.053 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.236 -1.755 -4.859 1.00 0.00 H new ATOM 277 N SER A 18 -13.094 -0.299 -5.743 1.00 0.00 N ATOM 278 CA SER A 18 -11.935 -0.939 -5.146 1.00 0.00 C ATOM 279 C SER A 18 -11.160 0.069 -4.296 1.00 0.00 C ATOM 280 O SER A 18 -10.945 -0.152 -3.105 1.00 0.00 O ATOM 281 CB SER A 18 -11.024 -1.541 -6.218 1.00 0.00 C ATOM 282 OG SER A 18 -11.543 -2.763 -6.735 1.00 0.00 O ATOM 0 H SER A 18 -13.019 -0.132 -6.747 1.00 0.00 H new ATOM 0 HA SER A 18 -12.284 -1.750 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.901 -0.826 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.035 -1.717 -5.796 1.00 0.00 H new ATOM 0 HG SER A 18 -10.851 -3.215 -7.262 1.00 0.00 H new ATOM 288 N ARG A 19 -10.760 1.155 -4.941 1.00 0.00 N ATOM 289 CA ARG A 19 -10.013 2.199 -4.258 1.00 0.00 C ATOM 290 C ARG A 19 -10.859 2.813 -3.142 1.00 0.00 C ATOM 291 O ARG A 19 -10.324 3.280 -2.138 1.00 0.00 O ATOM 292 CB ARG A 19 -9.590 3.299 -5.233 1.00 0.00 C ATOM 293 CG ARG A 19 -9.714 4.681 -4.587 1.00 0.00 C ATOM 294 CD ARG A 19 -11.160 5.180 -4.635 1.00 0.00 C ATOM 295 NE ARG A 19 -11.188 6.613 -5.004 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.312 7.308 -5.228 1.00 0.00 C ATOM 297 NH1 ARG A 19 -13.504 6.707 -5.123 1.00 0.00 N ATOM 298 NH2 ARG A 19 -12.242 8.605 -5.558 1.00 0.00 N ATOM 0 H ARG A 19 -10.939 1.335 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.119 1.744 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.560 3.133 -5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.210 3.255 -6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.376 4.634 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.064 5.388 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.730 4.598 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.636 5.036 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.297 7.102 -5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.557 5.720 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.359 7.237 -5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.334 9.062 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.097 9.135 -5.729 1.00 0.00 H new ATOM 312 N LEU A 20 -12.167 2.794 -3.354 1.00 0.00 N ATOM 313 CA LEU A 20 -13.092 3.343 -2.378 1.00 0.00 C ATOM 314 C LEU A 20 -13.143 2.424 -1.156 1.00 0.00 C ATOM 315 O LEU A 20 -13.123 2.894 -0.020 1.00 0.00 O ATOM 316 CB LEU A 20 -14.460 3.593 -3.017 1.00 0.00 C ATOM 317 CG LEU A 20 -15.595 3.947 -2.055 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.515 5.010 -2.659 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.367 2.694 -1.634 1.00 0.00 C ATOM 0 H LEU A 20 -12.608 2.407 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.745 4.316 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.358 4.402 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.747 2.701 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.157 4.375 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.313 5.243 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.940 5.912 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.948 4.633 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.169 2.973 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.793 2.215 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.690 2.000 -1.136 1.00 0.00 H new ATOM 331 N LEU A 21 -13.209 1.130 -1.432 1.00 0.00 N ATOM 332 CA LEU A 21 -13.264 0.140 -0.369 1.00 0.00 C ATOM 333 C LEU A 21 -12.018 0.272 0.509 1.00 0.00 C ATOM 334 O LEU A 21 -12.124 0.469 1.719 1.00 0.00 O ATOM 335 CB LEU A 21 -13.460 -1.261 -0.951 1.00 0.00 C ATOM 336 CG LEU A 21 -14.892 -1.630 -1.343 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.911 -2.845 -2.272 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.762 -1.843 -0.103 1.00 0.00 C ATOM 0 H LEU A 21 -13.226 0.744 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.127 0.317 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.827 -1.358 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.105 -1.989 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.320 -0.795 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.941 -3.086 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.348 -2.619 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.457 -3.697 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.775 -2.104 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.346 -2.650 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.786 -0.926 0.486 1.00 0.00 H new ATOM 350 N LEU A 22 -10.865 0.159 -0.134 1.00 0.00 N ATOM 351 CA LEU A 22 -9.600 0.263 0.574 1.00 0.00 C ATOM 352 C LEU A 22 -9.552 1.592 1.330 1.00 0.00 C ATOM 353 O LEU A 22 -9.231 1.623 2.517 1.00 0.00 O ATOM 354 CB LEU A 22 -8.429 0.062 -0.390 1.00 0.00 C ATOM 355 CG LEU A 22 -8.582 0.697 -1.774 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.742 1.971 -1.888 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.251 -0.309 -2.878 1.00 0.00 C ATOM 0 H LEU A 22 -10.780 -0.004 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.512 -0.530 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.529 0.464 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.270 -1.009 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.625 0.986 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.868 2.403 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.067 2.690 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.691 1.729 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.368 0.168 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.223 -0.651 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.927 -1.161 -2.808 1.00 0.00 H new ATOM 369 N GLY A 23 -9.875 2.658 0.612 1.00 0.00 N ATOM 370 CA GLY A 23 -9.872 3.986 1.201 1.00 0.00 C ATOM 371 C GLY A 23 -10.911 4.092 2.319 1.00 0.00 C ATOM 372 O GLY A 23 -10.734 4.857 3.265 1.00 0.00 O ATOM 0 H GLY A 23 -10.141 2.629 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.882 4.210 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.083 4.729 0.432 1.00 0.00 H new ATOM 376 N ASP A 24 -11.972 3.312 2.173 1.00 0.00 N ATOM 377 CA ASP A 24 -13.040 3.309 3.159 1.00 0.00 C ATOM 378 C ASP A 24 -12.590 2.517 4.389 1.00 0.00 C ATOM 379 O ASP A 24 -12.729 2.985 5.518 1.00 0.00 O ATOM 380 CB ASP A 24 -14.300 2.643 2.604 1.00 0.00 C ATOM 381 CG ASP A 24 -15.553 2.811 3.465 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.839 3.972 3.831 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.197 1.775 3.739 1.00 0.00 O ATOM 0 H ASP A 24 -12.115 2.678 1.387 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.263 4.344 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.501 3.050 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.104 1.578 2.478 1.00 0.00 H new ATOM 388 N ALA A 25 -12.059 1.332 4.128 1.00 0.00 N ATOM 389 CA ALA A 25 -11.587 0.471 5.200 1.00 0.00 C ATOM 390 C ALA A 25 -10.494 1.196 5.987 1.00 0.00 C ATOM 391 O ALA A 25 -10.525 1.225 7.216 1.00 0.00 O ATOM 392 CB ALA A 25 -11.101 -0.855 4.612 1.00 0.00 C ATOM 0 H ALA A 25 -11.945 0.947 3.190 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.396 0.243 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.747 -1.501 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.923 -1.344 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.287 -0.666 3.913 1.00 0.00 H new ATOM 398 N LEU A 26 -9.554 1.764 5.246 1.00 0.00 N ATOM 399 CA LEU A 26 -8.453 2.487 5.860 1.00 0.00 C ATOM 400 C LEU A 26 -8.977 3.795 6.456 1.00 0.00 C ATOM 401 O LEU A 26 -8.408 4.317 7.413 1.00 0.00 O ATOM 402 CB LEU A 26 -7.314 2.681 4.857 1.00 0.00 C ATOM 403 CG LEU A 26 -6.256 1.577 4.822 1.00 0.00 C ATOM 404 CD1 LEU A 26 -5.110 1.884 5.788 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.883 0.208 5.093 1.00 0.00 C ATOM 0 H LEU A 26 -9.532 1.738 4.227 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.029 1.909 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.746 2.775 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.818 3.626 5.079 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.831 1.544 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.372 1.083 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.640 2.827 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.500 1.961 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.109 -0.559 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.352 0.211 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.635 -0.005 4.333 1.00 0.00 H new ATOM 417 N GLN A 27 -10.056 4.287 5.865 1.00 0.00 N ATOM 418 CA GLN A 27 -10.663 5.524 6.326 1.00 0.00 C ATOM 419 C GLN A 27 -11.121 5.382 7.779 1.00 0.00 C ATOM 420 O GLN A 27 -10.843 6.247 8.608 1.00 0.00 O ATOM 421 CB GLN A 27 -11.827 5.934 5.421 1.00 0.00 C ATOM 422 CG GLN A 27 -11.409 7.048 4.460 1.00 0.00 C ATOM 423 CD GLN A 27 -11.544 8.422 5.120 1.00 0.00 C ATOM 424 OE1 GLN A 27 -11.493 8.565 6.331 1.00 0.00 O ATOM 425 NE2 GLN A 27 -11.718 9.421 4.260 1.00 0.00 N ATOM 0 H GLN A 27 -10.525 3.851 5.071 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.913 6.314 6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.173 5.070 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.665 6.271 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.377 6.892 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.027 7.010 3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.751 9.232 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.818 10.377 4.602 1.00 0.00 H new ATOM 434 N GLN A 28 -11.815 4.285 8.042 1.00 0.00 N ATOM 435 CA GLN A 28 -12.314 4.018 9.380 1.00 0.00 C ATOM 436 C GLN A 28 -11.152 3.729 10.332 1.00 0.00 C ATOM 437 O GLN A 28 -11.331 3.712 11.549 1.00 0.00 O ATOM 438 CB GLN A 28 -13.316 2.862 9.371 1.00 0.00 C ATOM 439 CG GLN A 28 -14.704 3.336 9.808 1.00 0.00 C ATOM 440 CD GLN A 28 -15.727 2.202 9.709 1.00 0.00 C ATOM 441 OE1 GLN A 28 -16.153 1.808 8.636 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.095 1.702 10.885 1.00 0.00 N ATOM 0 H GLN A 28 -12.044 3.570 7.351 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.837 4.906 9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.373 2.433 8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.971 2.072 10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.661 3.703 10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.020 4.171 9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.699 2.079 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.774 0.942 10.926 1.00 0.00 H new ATOM 451 N LEU A 29 -9.986 3.508 9.742 1.00 0.00 N ATOM 452 CA LEU A 29 -8.795 3.221 10.523 1.00 0.00 C ATOM 453 C LEU A 29 -8.037 4.523 10.787 1.00 0.00 C ATOM 454 O LEU A 29 -7.128 4.559 11.616 1.00 0.00 O ATOM 455 CB LEU A 29 -7.950 2.146 9.835 1.00 0.00 C ATOM 456 CG LEU A 29 -6.453 2.441 9.720 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.781 2.410 11.094 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.781 1.487 8.731 1.00 0.00 C ATOM 0 H LEU A 29 -9.841 3.522 8.732 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.067 2.808 11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.075 1.210 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.347 1.987 8.832 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.333 3.450 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.718 2.623 10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.237 3.161 11.739 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.909 1.424 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.718 1.718 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.909 0.460 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.236 1.602 7.747 1.00 0.00 H new ATOM 470 N GLY A 30 -8.438 5.560 10.067 1.00 0.00 N ATOM 471 CA GLY A 30 -7.807 6.861 10.213 1.00 0.00 C ATOM 472 C GLY A 30 -6.347 6.817 9.759 1.00 0.00 C ATOM 473 O GLY A 30 -5.515 7.572 10.259 1.00 0.00 O ATOM 0 H GLY A 30 -9.192 5.526 9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.352 7.601 9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.858 7.179 11.254 1.00 0.00 H new ATOM 477 N PHE A 31 -6.081 5.925 8.816 1.00 0.00 N ATOM 478 CA PHE A 31 -4.735 5.773 8.289 1.00 0.00 C ATOM 479 C PHE A 31 -3.886 7.009 8.588 1.00 0.00 C ATOM 480 O PHE A 31 -3.386 7.169 9.701 1.00 0.00 O ATOM 481 CB PHE A 31 -4.865 5.612 6.773 1.00 0.00 C ATOM 482 CG PHE A 31 -5.855 6.583 6.126 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.093 6.749 6.663 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.496 7.281 5.016 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.012 7.650 6.063 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.414 8.183 4.416 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.653 8.348 4.952 1.00 0.00 C ATOM 0 H PHE A 31 -6.774 5.301 8.403 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.250 4.913 8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.885 5.752 6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.176 4.591 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.377 6.196 7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.512 7.149 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.996 7.781 6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.128 8.738 3.534 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.352 9.033 4.496 1.00 0.00 H new ATOM 497 N LYS A 32 -3.748 7.853 7.576 1.00 0.00 N ATOM 498 CA LYS A 32 -2.968 9.070 7.717 1.00 0.00 C ATOM 499 C LYS A 32 -3.335 10.039 6.591 1.00 0.00 C ATOM 500 O LYS A 32 -3.736 11.173 6.849 1.00 0.00 O ATOM 501 CB LYS A 32 -1.474 8.744 7.785 1.00 0.00 C ATOM 502 CG LYS A 32 -0.757 9.666 8.774 1.00 0.00 C ATOM 503 CD LYS A 32 -0.889 9.143 10.206 1.00 0.00 C ATOM 504 CE LYS A 32 -0.950 10.298 11.207 1.00 0.00 C ATOM 505 NZ LYS A 32 -0.670 9.811 12.577 1.00 0.00 N ATOM 0 H LYS A 32 -4.164 7.718 6.654 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.205 9.568 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.338 7.705 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.029 8.850 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.297 9.743 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.176 10.670 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.788 8.534 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.043 8.498 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.225 11.064 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.935 10.764 11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.715 10.607 13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.377 9.096 12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.279 9.387 12.608 1.00 0.00 H new ATOM 519 N GLN A 33 -3.183 9.558 5.366 1.00 0.00 N ATOM 520 CA GLN A 33 -3.494 10.367 4.200 1.00 0.00 C ATOM 521 C GLN A 33 -3.745 9.473 2.984 1.00 0.00 C ATOM 522 O GLN A 33 -2.918 8.625 2.651 1.00 0.00 O ATOM 523 CB GLN A 33 -2.376 11.374 3.918 1.00 0.00 C ATOM 524 CG GLN A 33 -2.799 12.788 4.319 1.00 0.00 C ATOM 525 CD GLN A 33 -2.900 13.699 3.093 1.00 0.00 C ATOM 526 OE1 GLN A 33 -3.554 13.390 2.111 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.217 14.834 3.206 1.00 0.00 N ATOM 0 H GLN A 33 -2.848 8.618 5.156 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.404 10.931 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.478 11.090 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.122 11.353 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.761 12.752 4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.078 13.201 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.690 15.030 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.220 15.509 2.442 1.00 0.00 H new ATOM 536 N ILE A 34 -4.890 9.692 2.355 1.00 0.00 N ATOM 537 CA ILE A 34 -5.261 8.916 1.184 1.00 0.00 C ATOM 538 C ILE A 34 -4.832 9.668 -0.077 1.00 0.00 C ATOM 539 O ILE A 34 -5.377 10.726 -0.389 1.00 0.00 O ATOM 540 CB ILE A 34 -6.752 8.573 1.218 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.565 9.724 1.814 1.00 0.00 C ATOM 542 CG2 ILE A 34 -6.995 7.256 1.957 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.995 9.724 1.268 1.00 0.00 C ATOM 0 H ILE A 34 -5.573 10.396 2.634 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.738 7.960 1.180 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.095 8.434 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.586 9.635 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.083 10.673 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.062 7.036 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.463 6.451 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.633 7.342 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.552 10.552 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.971 9.837 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.482 8.783 1.523 1.00 0.00 H new ATOM 555 N THR A 35 -3.859 9.093 -0.769 1.00 0.00 N ATOM 556 CA THR A 35 -3.350 9.696 -1.989 1.00 0.00 C ATOM 557 C THR A 35 -3.473 8.718 -3.159 1.00 0.00 C ATOM 558 O THR A 35 -2.841 7.663 -3.160 1.00 0.00 O ATOM 559 CB THR A 35 -1.913 10.153 -1.727 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.040 11.537 -1.417 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.053 10.132 -2.992 1.00 0.00 C ATOM 0 H THR A 35 -3.410 8.215 -0.508 1.00 0.00 H new ATOM 0 HA THR A 35 -3.937 10.569 -2.273 1.00 0.00 H new ATOM 0 HB THR A 35 -1.461 9.513 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.154 11.913 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.043 10.465 -2.751 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.016 9.118 -3.390 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.486 10.798 -3.738 1.00 0.00 H new ATOM 569 N ALA A 36 -4.292 9.103 -4.127 1.00 0.00 N ATOM 570 CA ALA A 36 -4.507 8.273 -5.300 1.00 0.00 C ATOM 571 C ALA A 36 -4.210 9.091 -6.559 1.00 0.00 C ATOM 572 O ALA A 36 -4.544 10.272 -6.629 1.00 0.00 O ATOM 573 CB ALA A 36 -5.935 7.725 -5.284 1.00 0.00 C ATOM 0 H ALA A 36 -4.815 9.979 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.831 7.418 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.096 7.102 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.085 7.128 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.643 8.554 -5.292 1.00 0.00 H new ATOM 579 N ALA A 37 -3.586 8.429 -7.522 1.00 0.00 N ATOM 580 CA ALA A 37 -3.240 9.079 -8.774 1.00 0.00 C ATOM 581 C ALA A 37 -3.241 8.043 -9.900 1.00 0.00 C ATOM 582 O ALA A 37 -2.623 6.987 -9.775 1.00 0.00 O ATOM 583 CB ALA A 37 -1.889 9.782 -8.629 1.00 0.00 C ATOM 0 H ALA A 37 -3.311 7.449 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.978 9.841 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.630 10.270 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.951 10.529 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.123 9.049 -8.377 1.00 0.00 H new ATOM 589 N GLY A 38 -3.941 8.381 -10.972 1.00 0.00 N ATOM 590 CA GLY A 38 -4.029 7.493 -12.119 1.00 0.00 C ATOM 591 C GLY A 38 -4.027 6.027 -11.678 1.00 0.00 C ATOM 592 O GLY A 38 -5.084 5.442 -11.449 1.00 0.00 O ATOM 0 H GLY A 38 -4.453 9.258 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.939 7.707 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.190 7.676 -12.790 1.00 0.00 H new ATOM 596 N ASP A 39 -2.826 5.476 -11.574 1.00 0.00 N ATOM 597 CA ASP A 39 -2.672 4.090 -11.165 1.00 0.00 C ATOM 598 C ASP A 39 -1.371 3.938 -10.375 1.00 0.00 C ATOM 599 O ASP A 39 -0.725 4.929 -10.038 1.00 0.00 O ATOM 600 CB ASP A 39 -2.599 3.163 -12.380 1.00 0.00 C ATOM 601 CG ASP A 39 -3.763 2.179 -12.513 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.234 1.710 -11.455 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.156 1.919 -13.671 1.00 0.00 O ATOM 0 H ASP A 39 -1.951 5.964 -11.766 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.535 3.819 -10.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.554 3.774 -13.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.668 2.597 -12.331 1.00 0.00 H new ATOM 608 N GLY A 40 -1.025 2.689 -10.102 1.00 0.00 N ATOM 609 CA GLY A 40 0.188 2.394 -9.357 1.00 0.00 C ATOM 610 C GLY A 40 1.344 3.284 -9.818 1.00 0.00 C ATOM 611 O GLY A 40 2.095 3.807 -8.996 1.00 0.00 O ATOM 0 H GLY A 40 -1.563 1.869 -10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.011 2.544 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.455 1.346 -9.491 1.00 0.00 H new ATOM 615 N GLU A 41 1.451 3.428 -11.130 1.00 0.00 N ATOM 616 CA GLU A 41 2.503 4.246 -11.710 1.00 0.00 C ATOM 617 C GLU A 41 2.276 5.721 -11.372 1.00 0.00 C ATOM 618 O GLU A 41 3.149 6.372 -10.800 1.00 0.00 O ATOM 619 CB GLU A 41 2.588 4.037 -13.223 1.00 0.00 C ATOM 620 CG GLU A 41 3.522 2.874 -13.565 1.00 0.00 C ATOM 621 CD GLU A 41 4.083 3.019 -14.981 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.836 4.087 -15.583 1.00 0.00 O ATOM 623 OE2 GLU A 41 4.746 2.059 -15.430 1.00 0.00 O ATOM 0 H GLU A 41 0.827 2.992 -11.809 1.00 0.00 H new ATOM 0 HA GLU A 41 3.456 3.937 -11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.593 3.839 -13.623 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.947 4.949 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.342 2.838 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.981 1.931 -13.479 1.00 0.00 H new ATOM 630 N GLN A 42 1.098 6.205 -11.739 1.00 0.00 N ATOM 631 CA GLN A 42 0.746 7.591 -11.481 1.00 0.00 C ATOM 632 C GLN A 42 0.790 7.879 -9.980 1.00 0.00 C ATOM 633 O GLN A 42 1.286 8.923 -9.559 1.00 0.00 O ATOM 634 CB GLN A 42 -0.629 7.924 -12.064 1.00 0.00 C ATOM 635 CG GLN A 42 -0.632 9.315 -12.701 1.00 0.00 C ATOM 636 CD GLN A 42 -1.641 9.390 -13.849 1.00 0.00 C ATOM 637 OE1 GLN A 42 -1.930 8.414 -14.521 1.00 0.00 O ATOM 638 NE2 GLN A 42 -2.160 10.601 -14.034 1.00 0.00 N ATOM 0 H GLN A 42 0.376 5.662 -12.213 1.00 0.00 H new ATOM 0 HA GLN A 42 1.478 8.230 -11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.902 7.178 -12.810 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.382 7.879 -11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.877 10.064 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.365 9.551 -13.072 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.874 11.375 -13.435 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.844 10.755 -14.775 1.00 0.00 H new ATOM 647 N GLY A 43 0.264 6.936 -9.212 1.00 0.00 N ATOM 648 CA GLY A 43 0.236 7.076 -7.766 1.00 0.00 C ATOM 649 C GLY A 43 1.636 6.904 -7.173 1.00 0.00 C ATOM 650 O GLY A 43 1.917 7.401 -6.083 1.00 0.00 O ATOM 0 H GLY A 43 -0.146 6.071 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.158 8.057 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.438 6.334 -7.338 1.00 0.00 H new ATOM 654 N MET A 44 2.476 6.198 -7.915 1.00 0.00 N ATOM 655 CA MET A 44 3.840 5.955 -7.475 1.00 0.00 C ATOM 656 C MET A 44 4.664 7.244 -7.505 1.00 0.00 C ATOM 657 O MET A 44 5.345 7.572 -6.534 1.00 0.00 O ATOM 658 CB MET A 44 4.491 4.911 -8.385 1.00 0.00 C ATOM 659 CG MET A 44 6.014 4.927 -8.235 1.00 0.00 C ATOM 660 SD MET A 44 6.465 4.543 -6.551 1.00 0.00 S ATOM 661 CE MET A 44 8.021 5.412 -6.441 1.00 0.00 C ATOM 0 H MET A 44 2.239 5.786 -8.818 1.00 0.00 H new ATOM 0 HA MET A 44 3.811 5.589 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.108 3.920 -8.140 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.222 5.109 -9.423 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.462 4.202 -8.915 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.405 5.907 -8.511 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.243 5.630 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.814 4.792 -6.859 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.957 6.345 -7.001 1.00 0.00 H new ATOM 671 N LYS A 45 4.575 7.940 -8.629 1.00 0.00 N ATOM 672 CA LYS A 45 5.303 9.185 -8.797 1.00 0.00 C ATOM 673 C LYS A 45 4.679 10.261 -7.906 1.00 0.00 C ATOM 674 O LYS A 45 5.393 11.041 -7.276 1.00 0.00 O ATOM 675 CB LYS A 45 5.367 9.573 -10.276 1.00 0.00 C ATOM 676 CG LYS A 45 3.962 9.701 -10.870 1.00 0.00 C ATOM 677 CD LYS A 45 3.891 9.051 -12.254 1.00 0.00 C ATOM 678 CE LYS A 45 3.018 9.875 -13.202 1.00 0.00 C ATOM 679 NZ LYS A 45 3.823 10.920 -13.872 1.00 0.00 N ATOM 0 H LYS A 45 4.010 7.665 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 45 6.338 9.066 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.899 10.518 -10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.933 8.823 -10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.238 9.230 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.689 10.754 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.895 8.957 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.487 8.042 -12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.565 9.222 -13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.202 10.337 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.215 11.470 -14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.235 11.553 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.586 10.473 -14.419 1.00 0.00 H new ATOM 693 N ILE A 46 3.355 10.268 -7.881 1.00 0.00 N ATOM 694 CA ILE A 46 2.627 11.235 -7.077 1.00 0.00 C ATOM 695 C ILE A 46 2.902 10.971 -5.595 1.00 0.00 C ATOM 696 O ILE A 46 2.953 11.902 -4.793 1.00 0.00 O ATOM 697 CB ILE A 46 1.140 11.222 -7.438 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.873 12.057 -8.692 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.284 11.675 -6.254 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.967 11.840 -9.739 1.00 0.00 C ATOM 0 H ILE A 46 2.767 9.620 -8.405 1.00 0.00 H new ATOM 0 HA ILE A 46 2.974 12.246 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 46 0.853 10.196 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.096 11.788 -9.113 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.823 13.113 -8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.768 11.657 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.444 11.003 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.565 12.689 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.753 12.445 -10.620 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.931 12.133 -9.324 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.998 10.787 -10.021 1.00 0.00 H new ATOM 712 N MET A 47 3.072 9.696 -5.276 1.00 0.00 N ATOM 713 CA MET A 47 3.341 9.297 -3.905 1.00 0.00 C ATOM 714 C MET A 47 4.799 9.570 -3.530 1.00 0.00 C ATOM 715 O MET A 47 5.077 10.124 -2.468 1.00 0.00 O ATOM 716 CB MET A 47 3.041 7.806 -3.739 1.00 0.00 C ATOM 717 CG MET A 47 3.669 7.260 -2.455 1.00 0.00 C ATOM 718 SD MET A 47 3.607 5.476 -2.455 1.00 0.00 S ATOM 719 CE MET A 47 4.935 5.120 -3.594 1.00 0.00 C ATOM 0 H MET A 47 3.029 8.926 -5.944 1.00 0.00 H new ATOM 0 HA MET A 47 2.701 9.881 -3.244 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.963 7.649 -3.716 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.425 7.256 -4.598 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.703 7.596 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.139 7.650 -1.587 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.533 4.627 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.423 6.050 -3.887 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.661 4.465 -3.113 1.00 0.00 H new ATOM 729 N ALA A 48 5.691 9.168 -4.424 1.00 0.00 N ATOM 730 CA ALA A 48 7.114 9.362 -4.200 1.00 0.00 C ATOM 731 C ALA A 48 7.418 10.861 -4.153 1.00 0.00 C ATOM 732 O ALA A 48 8.144 11.323 -3.274 1.00 0.00 O ATOM 733 CB ALA A 48 7.906 8.641 -5.292 1.00 0.00 C ATOM 0 H ALA A 48 5.456 8.709 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 48 7.414 8.934 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.973 8.787 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.676 7.576 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.634 9.046 -6.267 1.00 0.00 H new ATOM 739 N GLN A 49 6.848 11.579 -5.109 1.00 0.00 N ATOM 740 CA GLN A 49 7.049 13.015 -5.187 1.00 0.00 C ATOM 741 C GLN A 49 6.789 13.663 -3.826 1.00 0.00 C ATOM 742 O GLN A 49 7.252 14.771 -3.563 1.00 0.00 O ATOM 743 CB GLN A 49 6.161 13.635 -6.268 1.00 0.00 C ATOM 744 CG GLN A 49 6.923 13.781 -7.587 1.00 0.00 C ATOM 745 CD GLN A 49 7.888 14.967 -7.535 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.670 15.948 -6.842 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.963 14.824 -8.304 1.00 0.00 N ATOM 0 H GLN A 49 6.247 11.192 -5.837 1.00 0.00 H new ATOM 0 HA GLN A 49 8.087 13.202 -5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.279 13.013 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.808 14.612 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.477 12.866 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.217 13.918 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.084 13.977 -8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.667 15.561 -8.339 1.00 0.00 H new ATOM 756 N ASN A 50 6.047 12.943 -2.996 1.00 0.00 N ATOM 757 CA ASN A 50 5.720 13.434 -1.668 1.00 0.00 C ATOM 758 C ASN A 50 5.956 12.321 -0.645 1.00 0.00 C ATOM 759 O ASN A 50 6.449 11.249 -0.992 1.00 0.00 O ATOM 760 CB ASN A 50 4.250 13.850 -1.582 1.00 0.00 C ATOM 761 CG ASN A 50 3.637 13.990 -2.977 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.276 14.417 -3.924 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.366 13.606 -3.050 1.00 0.00 N ATOM 0 H ASN A 50 5.663 12.024 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 50 6.353 14.297 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.692 13.110 -1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.167 14.796 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.867 13.660 -3.938 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.890 13.258 -2.218 1.00 0.00 H new ATOM 770 N PRO A 51 5.585 12.622 0.628 1.00 0.00 N ATOM 771 CA PRO A 51 5.752 11.660 1.704 1.00 0.00 C ATOM 772 C PRO A 51 4.697 10.555 1.620 1.00 0.00 C ATOM 773 O PRO A 51 3.584 10.788 1.149 1.00 0.00 O ATOM 774 CB PRO A 51 5.655 12.478 2.981 1.00 0.00 C ATOM 775 CG PRO A 51 4.978 13.781 2.592 1.00 0.00 C ATOM 776 CD PRO A 51 4.998 13.882 1.075 1.00 0.00 C ATOM 0 HA PRO A 51 6.706 11.135 1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.078 11.950 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.643 12.662 3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.953 13.804 2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.498 14.629 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.993 14.015 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.590 14.735 0.743 1.00 0.00 H new ATOM 784 N HIS A 52 5.083 9.376 2.084 1.00 0.00 N ATOM 785 CA HIS A 52 4.184 8.234 2.068 1.00 0.00 C ATOM 786 C HIS A 52 4.758 7.116 2.940 1.00 0.00 C ATOM 787 O HIS A 52 5.967 7.051 3.155 1.00 0.00 O ATOM 788 CB HIS A 52 3.905 7.783 0.633 1.00 0.00 C ATOM 789 CG HIS A 52 5.123 7.272 -0.098 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.083 8.113 -0.634 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.527 5.999 -0.376 1.00 0.00 C ATOM 792 CE1 HIS A 52 7.018 7.368 -1.207 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.671 6.059 -1.046 1.00 0.00 N ATOM 0 H HIS A 52 6.006 9.186 2.474 1.00 0.00 H new ATOM 0 HA HIS A 52 3.221 8.519 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.149 6.998 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.484 8.620 0.076 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.073 9.132 -0.595 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.004 5.096 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.900 7.734 -1.712 1.00 0.00 H new ATOM 802 N HIS A 53 3.864 6.263 3.417 1.00 0.00 N ATOM 803 CA HIS A 53 4.267 5.151 4.261 1.00 0.00 C ATOM 804 C HIS A 53 3.343 3.957 4.012 1.00 0.00 C ATOM 805 O HIS A 53 3.327 3.006 4.792 1.00 0.00 O ATOM 806 CB HIS A 53 4.309 5.572 5.731 1.00 0.00 C ATOM 807 CG HIS A 53 4.643 4.447 6.682 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.833 3.593 7.373 1.00 0.00 N flip ATOM 809 CD2 HIS A 53 5.943 4.104 7.011 1.00 0.00 C flip ATOM 810 CE1 HIS A 53 4.597 2.772 8.082 1.00 0.00 C flip ATOM 811 NE2 HIS A 53 5.905 3.088 7.860 1.00 0.00 N flip ATOM 0 H HIS A 53 2.862 6.319 3.235 1.00 0.00 H new ATOM 0 HA HIS A 53 5.280 4.842 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.046 6.366 5.850 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.341 5.992 6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.836 4.583 6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.242 1.983 8.729 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.713 2.623 8.275 1.00 0.00 H new ATOM 820 N LEU A 54 2.595 4.046 2.922 1.00 0.00 N ATOM 821 CA LEU A 54 1.670 2.985 2.560 1.00 0.00 C ATOM 822 C LEU A 54 1.405 3.036 1.054 1.00 0.00 C ATOM 823 O LEU A 54 1.177 4.109 0.497 1.00 0.00 O ATOM 824 CB LEU A 54 0.401 3.067 3.411 1.00 0.00 C ATOM 825 CG LEU A 54 0.320 2.095 4.590 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.078 2.844 5.902 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.737 1.018 4.341 1.00 0.00 C ATOM 0 H LEU A 54 2.611 4.836 2.278 1.00 0.00 H new ATOM 0 HA LEU A 54 2.107 2.010 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.311 4.083 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.459 2.894 2.764 1.00 0.00 H new ATOM 0 HG LEU A 54 1.280 1.588 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.025 2.130 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.897 3.541 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.860 3.395 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.774 0.340 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.711 1.488 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.480 0.457 3.443 1.00 0.00 H new ATOM 839 N VAL A 55 1.444 1.864 0.439 1.00 0.00 N ATOM 840 CA VAL A 55 1.211 1.762 -0.992 1.00 0.00 C ATOM 841 C VAL A 55 0.248 0.605 -1.266 1.00 0.00 C ATOM 842 O VAL A 55 0.667 -0.549 -1.349 1.00 0.00 O ATOM 843 CB VAL A 55 2.543 1.619 -1.730 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.339 1.671 -3.246 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.540 2.686 -1.275 1.00 0.00 C ATOM 0 H VAL A 55 1.633 0.977 0.905 1.00 0.00 H new ATOM 0 HA VAL A 55 0.742 2.671 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 55 2.960 0.643 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.302 1.567 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.681 0.858 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.889 2.625 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.478 2.561 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.132 3.676 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.721 2.582 -0.205 1.00 0.00 H new ATOM 855 N ILE A 56 -1.023 0.953 -1.399 1.00 0.00 N ATOM 856 CA ILE A 56 -2.048 -0.042 -1.662 1.00 0.00 C ATOM 857 C ILE A 56 -2.667 0.220 -3.037 1.00 0.00 C ATOM 858 O ILE A 56 -2.982 1.361 -3.372 1.00 0.00 O ATOM 859 CB ILE A 56 -3.070 -0.072 -0.524 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.322 0.728 -0.889 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.445 0.408 0.787 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.161 1.031 0.354 1.00 0.00 C ATOM 0 H ILE A 56 -1.367 1.911 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.610 -1.040 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.382 -1.105 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.033 1.661 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.920 0.167 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.193 0.377 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.610 -0.241 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.087 1.430 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.045 1.600 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.468 0.096 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.568 1.613 1.060 1.00 0.00 H new ATOM 874 N SER A 57 -2.822 -0.855 -3.795 1.00 0.00 N ATOM 875 CA SER A 57 -3.397 -0.756 -5.126 1.00 0.00 C ATOM 876 C SER A 57 -4.265 -1.982 -5.414 1.00 0.00 C ATOM 877 O SER A 57 -4.261 -2.944 -4.647 1.00 0.00 O ATOM 878 CB SER A 57 -2.305 -0.617 -6.189 1.00 0.00 C ATOM 879 OG SER A 57 -2.309 -1.709 -7.104 1.00 0.00 O ATOM 0 H SER A 57 -2.559 -1.799 -3.513 1.00 0.00 H new ATOM 0 HA SER A 57 -4.019 0.138 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.448 0.315 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.331 -0.555 -5.703 1.00 0.00 H new ATOM 0 HG SER A 57 -1.666 -2.386 -6.808 1.00 0.00 H new ATOM 885 N ASP A 58 -4.989 -1.908 -6.521 1.00 0.00 N ATOM 886 CA ASP A 58 -5.860 -3.000 -6.920 1.00 0.00 C ATOM 887 C ASP A 58 -5.155 -3.848 -7.980 1.00 0.00 C ATOM 888 O ASP A 58 -3.983 -3.626 -8.280 1.00 0.00 O ATOM 889 CB ASP A 58 -7.163 -2.473 -7.525 1.00 0.00 C ATOM 890 CG ASP A 58 -8.439 -3.088 -6.948 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.473 -3.268 -5.712 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.352 -3.363 -7.756 1.00 0.00 O ATOM 0 H ASP A 58 -4.990 -1.108 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.088 -3.591 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.201 -1.393 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.145 -2.652 -8.600 1.00 0.00 H new ATOM 897 N PHE A 59 -5.899 -4.803 -8.520 1.00 0.00 N ATOM 898 CA PHE A 59 -5.360 -5.685 -9.540 1.00 0.00 C ATOM 899 C PHE A 59 -6.066 -5.469 -10.881 1.00 0.00 C ATOM 900 O PHE A 59 -5.981 -6.310 -11.774 1.00 0.00 O ATOM 901 CB PHE A 59 -5.612 -7.119 -9.071 1.00 0.00 C ATOM 902 CG PHE A 59 -7.002 -7.343 -8.472 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.051 -6.582 -8.885 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.189 -8.302 -7.526 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.341 -6.789 -8.329 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.480 -8.510 -6.971 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.528 -7.748 -7.384 1.00 0.00 C ATOM 0 H PHE A 59 -6.871 -4.985 -8.270 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.298 -5.484 -9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.478 -7.795 -9.915 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.860 -7.385 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.903 -5.820 -9.636 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.356 -8.905 -7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.174 -6.184 -8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.629 -9.273 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.509 -7.905 -6.961 1.00 0.00 H new ATOM 917 N ASN A 60 -6.746 -4.336 -10.979 1.00 0.00 N ATOM 918 CA ASN A 60 -7.466 -3.998 -12.195 1.00 0.00 C ATOM 919 C ASN A 60 -6.491 -3.992 -13.374 1.00 0.00 C ATOM 920 O ASN A 60 -6.404 -4.969 -14.117 1.00 0.00 O ATOM 921 CB ASN A 60 -8.095 -2.607 -12.094 1.00 0.00 C ATOM 922 CG ASN A 60 -9.619 -2.700 -12.000 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.189 -2.934 -10.946 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.246 -2.505 -13.156 1.00 0.00 N ATOM 0 H ASN A 60 -6.814 -3.640 -10.236 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.252 -4.739 -12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.704 -2.090 -11.218 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.816 -2.014 -12.965 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.264 -2.547 -13.197 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.709 -2.313 -14.002 1.00 0.00 H new ATOM 931 N MET A 61 -5.783 -2.881 -13.509 1.00 0.00 N ATOM 932 CA MET A 61 -4.818 -2.735 -14.586 1.00 0.00 C ATOM 933 C MET A 61 -3.803 -1.635 -14.267 1.00 0.00 C ATOM 934 O MET A 61 -3.558 -0.755 -15.091 1.00 0.00 O ATOM 935 CB MET A 61 -5.550 -2.394 -15.885 1.00 0.00 C ATOM 936 CG MET A 61 -6.234 -1.029 -15.787 1.00 0.00 C ATOM 937 SD MET A 61 -5.882 -0.064 -17.247 1.00 0.00 S ATOM 938 CE MET A 61 -7.530 0.481 -17.663 1.00 0.00 C ATOM 0 H MET A 61 -5.858 -2.073 -12.891 1.00 0.00 H new ATOM 0 HA MET A 61 -4.281 -3.677 -14.698 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.843 -2.392 -16.715 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.293 -3.162 -16.101 1.00 0.00 H new ATOM 0 HG2 MET A 61 -7.311 -1.159 -15.678 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.885 -0.501 -14.899 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.493 1.101 -18.559 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.164 -0.386 -17.848 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.941 1.062 -16.837 1.00 0.00 H new ATOM 948 N PRO A 62 -3.227 -1.723 -13.039 1.00 0.00 N ATOM 949 CA PRO A 62 -2.245 -0.745 -12.601 1.00 0.00 C ATOM 950 C PRO A 62 -0.897 -0.976 -13.288 1.00 0.00 C ATOM 951 O PRO A 62 -0.477 -2.118 -13.469 1.00 0.00 O ATOM 952 CB PRO A 62 -2.177 -0.905 -11.091 1.00 0.00 C ATOM 953 CG PRO A 62 -2.771 -2.270 -10.789 1.00 0.00 C ATOM 954 CD PRO A 62 -3.493 -2.751 -12.037 1.00 0.00 C ATOM 0 HA PRO A 62 -2.519 0.275 -12.868 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.148 -0.840 -10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.737 -0.116 -10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.987 -2.973 -10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.462 -2.208 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.121 -3.724 -12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.562 -2.862 -11.858 1.00 0.00 H new ATOM 962 N LYS A 63 -0.258 0.126 -13.652 1.00 0.00 N ATOM 963 CA LYS A 63 1.033 0.057 -14.315 1.00 0.00 C ATOM 964 C LYS A 63 2.113 -0.284 -13.286 1.00 0.00 C ATOM 965 O LYS A 63 3.195 -0.746 -13.646 1.00 0.00 O ATOM 966 CB LYS A 63 1.307 1.349 -15.089 1.00 0.00 C ATOM 967 CG LYS A 63 0.488 1.398 -16.380 1.00 0.00 C ATOM 968 CD LYS A 63 0.814 0.206 -17.282 1.00 0.00 C ATOM 969 CE LYS A 63 0.488 0.519 -18.744 1.00 0.00 C ATOM 970 NZ LYS A 63 1.312 -0.313 -19.649 1.00 0.00 N ATOM 0 H LYS A 63 -0.610 1.071 -13.500 1.00 0.00 H new ATOM 0 HA LYS A 63 1.037 -0.740 -15.058 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.062 2.209 -14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.369 1.418 -15.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.575 1.397 -16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.694 2.327 -16.911 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.870 -0.048 -17.187 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.246 -0.666 -16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.570 0.336 -18.934 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.670 1.575 -18.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.078 -0.088 -20.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.319 -0.118 -19.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.119 -1.319 -19.468 1.00 0.00 H new ATOM 984 N MET A 64 1.781 -0.043 -12.026 1.00 0.00 N ATOM 985 CA MET A 64 2.709 -0.319 -10.942 1.00 0.00 C ATOM 986 C MET A 64 1.986 -0.940 -9.746 1.00 0.00 C ATOM 987 O MET A 64 1.611 -0.236 -8.809 1.00 0.00 O ATOM 988 CB MET A 64 3.390 0.981 -10.509 1.00 0.00 C ATOM 989 CG MET A 64 4.875 0.752 -10.219 1.00 0.00 C ATOM 990 SD MET A 64 5.813 0.834 -11.735 1.00 0.00 S ATOM 991 CE MET A 64 7.209 1.800 -11.184 1.00 0.00 C ATOM 0 H MET A 64 0.883 0.340 -11.732 1.00 0.00 H new ATOM 0 HA MET A 64 3.455 -1.029 -11.300 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.280 1.731 -11.292 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.898 1.374 -9.619 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.237 1.503 -9.517 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.016 -0.220 -9.747 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.543 2.451 -11.992 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.916 2.407 -10.327 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.022 1.133 -10.896 1.00 0.00 H new ATOM 1001 N ASP A 65 1.810 -2.251 -9.816 1.00 0.00 N ATOM 1002 CA ASP A 65 1.138 -2.975 -8.750 1.00 0.00 C ATOM 1003 C ASP A 65 2.091 -3.128 -7.564 1.00 0.00 C ATOM 1004 O ASP A 65 3.251 -2.725 -7.639 1.00 0.00 O ATOM 1005 CB ASP A 65 0.726 -4.375 -9.210 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.187 -5.130 -8.242 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -1.024 -4.454 -7.606 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -0.026 -6.367 -8.159 1.00 0.00 O ATOM 0 H ASP A 65 2.121 -2.831 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 65 0.248 -2.412 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.221 -4.291 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.626 -4.967 -9.374 1.00 0.00 H new ATOM 1013 N GLY A 66 1.567 -3.711 -6.496 1.00 0.00 N ATOM 1014 CA GLY A 66 2.357 -3.923 -5.295 1.00 0.00 C ATOM 1015 C GLY A 66 3.819 -4.210 -5.644 1.00 0.00 C ATOM 1016 O GLY A 66 4.714 -3.470 -5.240 1.00 0.00 O ATOM 0 H GLY A 66 0.604 -4.043 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.298 -3.042 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.945 -4.757 -4.727 1.00 0.00 H new ATOM 1020 N LEU A 67 4.015 -5.287 -6.390 1.00 0.00 N ATOM 1021 CA LEU A 67 5.352 -5.682 -6.798 1.00 0.00 C ATOM 1022 C LEU A 67 6.013 -4.525 -7.550 1.00 0.00 C ATOM 1023 O LEU A 67 7.176 -4.206 -7.308 1.00 0.00 O ATOM 1024 CB LEU A 67 5.306 -6.987 -7.595 1.00 0.00 C ATOM 1025 CG LEU A 67 4.770 -8.210 -6.848 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.508 -9.481 -7.275 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.826 -7.996 -5.334 1.00 0.00 C ATOM 0 H LEU A 67 3.270 -5.899 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 67 5.971 -5.891 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.690 -6.828 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.314 -7.212 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 67 3.722 -8.341 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.107 -10.335 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.372 -9.638 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.570 -9.376 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.439 -8.880 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.858 -7.825 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.220 -7.130 -5.066 1.00 0.00 H new ATOM 1039 N GLY A 68 5.243 -3.929 -8.449 1.00 0.00 N ATOM 1040 CA GLY A 68 5.739 -2.814 -9.238 1.00 0.00 C ATOM 1041 C GLY A 68 6.286 -1.705 -8.337 1.00 0.00 C ATOM 1042 O GLY A 68 7.340 -1.136 -8.617 1.00 0.00 O ATOM 0 H GLY A 68 4.279 -4.197 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.523 -3.161 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.936 -2.419 -9.861 1.00 0.00 H new ATOM 1046 N LEU A 69 5.544 -1.430 -7.275 1.00 0.00 N ATOM 1047 CA LEU A 69 5.941 -0.398 -6.331 1.00 0.00 C ATOM 1048 C LEU A 69 7.239 -0.818 -5.639 1.00 0.00 C ATOM 1049 O LEU A 69 8.138 -0.001 -5.450 1.00 0.00 O ATOM 1050 CB LEU A 69 4.798 -0.091 -5.361 1.00 0.00 C ATOM 1051 CG LEU A 69 3.649 0.749 -5.922 1.00 0.00 C ATOM 1052 CD1 LEU A 69 3.968 1.239 -7.336 1.00 0.00 C ATOM 1053 CD2 LEU A 69 2.329 -0.021 -5.867 1.00 0.00 C ATOM 0 H LEU A 69 4.670 -1.903 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 69 6.146 0.537 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.389 -1.035 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.212 0.427 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 69 3.533 1.632 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.135 1.834 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.870 1.851 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.127 0.382 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.529 0.599 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.415 -0.933 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.101 -0.278 -4.833 1.00 0.00 H new ATOM 1065 N LEU A 70 7.296 -2.093 -5.281 1.00 0.00 N ATOM 1066 CA LEU A 70 8.469 -2.631 -4.614 1.00 0.00 C ATOM 1067 C LEU A 70 9.699 -2.410 -5.497 1.00 0.00 C ATOM 1068 O LEU A 70 10.747 -1.987 -5.013 1.00 0.00 O ATOM 1069 CB LEU A 70 8.242 -4.095 -4.230 1.00 0.00 C ATOM 1070 CG LEU A 70 9.440 -5.029 -4.411 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.531 -5.531 -5.854 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.736 -4.354 -3.957 1.00 0.00 C ATOM 0 H LEU A 70 6.549 -2.769 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 70 8.650 -2.104 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.932 -4.132 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.413 -4.481 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 70 9.291 -5.901 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.391 -6.193 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.622 -6.076 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.645 -4.682 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.572 -5.040 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.903 -3.453 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.657 -4.087 -2.903 1.00 0.00 H new ATOM 1084 N GLN A 71 9.529 -2.707 -6.777 1.00 0.00 N ATOM 1085 CA GLN A 71 10.612 -2.546 -7.732 1.00 0.00 C ATOM 1086 C GLN A 71 11.053 -1.082 -7.793 1.00 0.00 C ATOM 1087 O GLN A 71 12.237 -0.794 -7.961 1.00 0.00 O ATOM 1088 CB GLN A 71 10.202 -3.053 -9.116 1.00 0.00 C ATOM 1089 CG GLN A 71 10.100 -4.580 -9.133 1.00 0.00 C ATOM 1090 CD GLN A 71 9.890 -5.100 -10.556 1.00 0.00 C ATOM 1091 OE1 GLN A 71 10.576 -4.720 -11.491 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.906 -5.988 -10.668 1.00 0.00 N ATOM 0 H GLN A 71 8.658 -3.058 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 71 11.458 -3.146 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.243 -2.618 -9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.930 -2.725 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.008 -5.013 -8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.273 -4.900 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.371 -6.262 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.687 -6.394 -11.577 1.00 0.00 H new ATOM 1101 N ALA A 72 10.078 -0.197 -7.653 1.00 0.00 N ATOM 1102 CA ALA A 72 10.350 1.229 -7.690 1.00 0.00 C ATOM 1103 C ALA A 72 11.134 1.627 -6.437 1.00 0.00 C ATOM 1104 O ALA A 72 12.116 2.363 -6.523 1.00 0.00 O ATOM 1105 CB ALA A 72 9.034 1.998 -7.822 1.00 0.00 C ATOM 0 H ALA A 72 9.097 -0.440 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 72 10.962 1.480 -8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.239 3.068 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.530 1.701 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.394 1.773 -6.969 1.00 0.00 H new ATOM 1111 N VAL A 73 10.670 1.123 -5.303 1.00 0.00 N ATOM 1112 CA VAL A 73 11.315 1.417 -4.035 1.00 0.00 C ATOM 1113 C VAL A 73 12.792 1.028 -4.117 1.00 0.00 C ATOM 1114 O VAL A 73 13.649 1.704 -3.549 1.00 0.00 O ATOM 1115 CB VAL A 73 10.574 0.713 -2.896 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.060 0.764 -3.112 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.057 -0.730 -2.736 1.00 0.00 C ATOM 0 H VAL A 73 9.855 0.513 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 73 11.271 2.485 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 73 10.798 1.245 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.558 0.257 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.733 1.803 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.809 0.269 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.514 -1.207 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.877 -1.278 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.124 -0.734 -2.513 1.00 0.00 H new ATOM 1127 N ARG A 74 13.046 -0.061 -4.828 1.00 0.00 N ATOM 1128 CA ARG A 74 14.405 -0.548 -4.991 1.00 0.00 C ATOM 1129 C ARG A 74 15.272 0.515 -5.670 1.00 0.00 C ATOM 1130 O ARG A 74 16.498 0.473 -5.578 1.00 0.00 O ATOM 1131 CB ARG A 74 14.435 -1.830 -5.827 1.00 0.00 C ATOM 1132 CG ARG A 74 14.397 -3.069 -4.931 1.00 0.00 C ATOM 1133 CD ARG A 74 15.346 -4.151 -5.450 1.00 0.00 C ATOM 1134 NE ARG A 74 16.727 -3.874 -4.994 1.00 0.00 N ATOM 1135 CZ ARG A 74 17.710 -4.784 -4.980 1.00 0.00 C ATOM 1136 NH1 ARG A 74 17.471 -6.035 -5.397 1.00 0.00 N ATOM 1137 NH2 ARG A 74 18.932 -4.444 -4.549 1.00 0.00 N ATOM 0 H ARG A 74 12.333 -0.620 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 74 14.800 -0.765 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.585 -1.844 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.336 -1.848 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.675 -2.795 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.381 -3.461 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.025 -5.130 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.313 -4.183 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 74 16.944 -2.931 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.541 -6.294 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.219 -6.728 -5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 74 19.114 -3.492 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.680 -5.137 -4.538 1.00 0.00 H new ATOM 1151 N ALA A 75 14.601 1.442 -6.337 1.00 0.00 N ATOM 1152 CA ALA A 75 15.294 2.514 -7.031 1.00 0.00 C ATOM 1153 C ALA A 75 15.245 3.783 -6.178 1.00 0.00 C ATOM 1154 O ALA A 75 16.092 4.664 -6.321 1.00 0.00 O ATOM 1155 CB ALA A 75 14.669 2.716 -8.413 1.00 0.00 C ATOM 0 H ALA A 75 13.584 1.473 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 75 16.343 2.258 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.189 3.520 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.756 1.795 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.617 2.977 -8.302 1.00 0.00 H new ATOM 1161 N ASN A 76 14.246 3.836 -5.310 1.00 0.00 N ATOM 1162 CA ASN A 76 14.076 4.983 -4.434 1.00 0.00 C ATOM 1163 C ASN A 76 13.952 4.500 -2.987 1.00 0.00 C ATOM 1164 O ASN A 76 12.977 3.841 -2.631 1.00 0.00 O ATOM 1165 CB ASN A 76 12.806 5.760 -4.784 1.00 0.00 C ATOM 1166 CG ASN A 76 13.053 7.269 -4.727 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.172 7.745 -4.822 1.00 0.00 O ATOM 1168 ND2 ASN A 76 11.948 7.992 -4.566 1.00 0.00 N ATOM 0 H ASN A 76 13.546 3.103 -5.194 1.00 0.00 H new ATOM 0 HA ASN A 76 14.942 5.633 -4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.468 5.481 -5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.009 5.492 -4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.007 9.009 -4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.042 7.529 -4.493 1.00 0.00 H new ATOM 1175 N PRO A 77 14.980 4.858 -2.172 1.00 0.00 N ATOM 1176 CA PRO A 77 14.995 4.468 -0.772 1.00 0.00 C ATOM 1177 C PRO A 77 14.011 5.311 0.042 1.00 0.00 C ATOM 1178 O PRO A 77 13.810 5.061 1.230 1.00 0.00 O ATOM 1179 CB PRO A 77 16.438 4.647 -0.329 1.00 0.00 C ATOM 1180 CG PRO A 77 17.079 5.566 -1.357 1.00 0.00 C ATOM 1181 CD PRO A 77 16.151 5.639 -2.559 1.00 0.00 C ATOM 0 HA PRO A 77 14.670 3.439 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.489 5.082 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.955 3.688 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.237 6.559 -0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.057 5.186 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.881 6.670 -2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.625 5.227 -3.450 1.00 0.00 H new ATOM 1189 N ALA A 78 13.424 6.291 -0.629 1.00 0.00 N ATOM 1190 CA ALA A 78 12.466 7.171 0.017 1.00 0.00 C ATOM 1191 C ALA A 78 11.159 6.412 0.252 1.00 0.00 C ATOM 1192 O ALA A 78 10.474 6.641 1.247 1.00 0.00 O ATOM 1193 CB ALA A 78 12.267 8.425 -0.837 1.00 0.00 C ATOM 0 H ALA A 78 13.594 6.495 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 78 12.838 7.494 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.548 9.085 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.219 8.944 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.892 8.140 -1.820 1.00 0.00 H new ATOM 1199 N THR A 79 10.853 5.523 -0.682 1.00 0.00 N ATOM 1200 CA THR A 79 9.640 4.729 -0.590 1.00 0.00 C ATOM 1201 C THR A 79 9.970 3.300 -0.152 1.00 0.00 C ATOM 1202 O THR A 79 9.098 2.433 -0.143 1.00 0.00 O ATOM 1203 CB THR A 79 8.924 4.800 -1.940 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.762 3.995 -1.760 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.699 4.092 -3.053 1.00 0.00 C ATOM 0 H THR A 79 11.424 5.335 -1.506 1.00 0.00 H new ATOM 0 HA THR A 79 8.967 5.122 0.172 1.00 0.00 H new ATOM 0 HB THR A 79 8.769 5.844 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.053 4.532 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.147 4.173 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.678 4.558 -3.168 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.826 3.040 -2.796 1.00 0.00 H new ATOM 1213 N LYS A 80 11.231 3.100 0.200 1.00 0.00 N ATOM 1214 CA LYS A 80 11.688 1.792 0.637 1.00 0.00 C ATOM 1215 C LYS A 80 11.153 1.514 2.044 1.00 0.00 C ATOM 1216 O LYS A 80 11.243 0.390 2.535 1.00 0.00 O ATOM 1217 CB LYS A 80 13.210 1.691 0.527 1.00 0.00 C ATOM 1218 CG LYS A 80 13.894 2.471 1.652 1.00 0.00 C ATOM 1219 CD LYS A 80 14.438 1.523 2.724 1.00 0.00 C ATOM 1220 CE LYS A 80 15.933 1.270 2.524 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.433 0.302 3.525 1.00 0.00 N ATOM 0 H LYS A 80 11.951 3.822 0.192 1.00 0.00 H new ATOM 0 HA LYS A 80 11.293 1.013 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.513 0.645 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.535 2.078 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.709 3.068 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.184 3.165 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.267 1.949 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.897 0.577 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.112 0.888 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.481 2.208 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.450 0.141 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.280 0.681 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.922 -0.598 3.423 1.00 0.00 H new ATOM 1235 N LYS A 81 10.608 2.557 2.652 1.00 0.00 N ATOM 1236 CA LYS A 81 10.059 2.440 3.992 1.00 0.00 C ATOM 1237 C LYS A 81 8.531 2.474 3.917 1.00 0.00 C ATOM 1238 O LYS A 81 7.857 2.528 4.944 1.00 0.00 O ATOM 1239 CB LYS A 81 10.654 3.509 4.910 1.00 0.00 C ATOM 1240 CG LYS A 81 10.118 4.897 4.555 1.00 0.00 C ATOM 1241 CD LYS A 81 11.023 5.995 5.117 1.00 0.00 C ATOM 1242 CE LYS A 81 12.412 5.940 4.480 1.00 0.00 C ATOM 1243 NZ LYS A 81 13.144 7.204 4.722 1.00 0.00 N ATOM 0 H LYS A 81 10.535 3.488 2.241 1.00 0.00 H new ATOM 0 HA LYS A 81 10.335 1.483 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.414 3.277 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.741 3.502 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.048 4.998 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.109 5.014 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.573 6.971 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.110 5.882 6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.975 5.102 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.320 5.766 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.085 7.150 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.614 7.997 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.248 7.354 5.746 1.00 0.00 H new ATOM 1257 N ALA A 82 8.030 2.442 2.691 1.00 0.00 N ATOM 1258 CA ALA A 82 6.594 2.468 2.469 1.00 0.00 C ATOM 1259 C ALA A 82 6.087 1.039 2.267 1.00 0.00 C ATOM 1260 O ALA A 82 6.608 0.304 1.430 1.00 0.00 O ATOM 1261 CB ALA A 82 6.279 3.373 1.276 1.00 0.00 C ATOM 0 H ALA A 82 8.592 2.398 1.841 1.00 0.00 H new ATOM 0 HA ALA A 82 6.079 2.880 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.202 3.393 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.633 4.383 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.777 2.988 0.386 1.00 0.00 H new ATOM 1267 N ALA A 83 5.076 0.688 3.047 1.00 0.00 N ATOM 1268 CA ALA A 83 4.492 -0.640 2.965 1.00 0.00 C ATOM 1269 C ALA A 83 3.364 -0.633 1.931 1.00 0.00 C ATOM 1270 O ALA A 83 2.408 0.131 2.056 1.00 0.00 O ATOM 1271 CB ALA A 83 4.011 -1.074 4.351 1.00 0.00 C ATOM 0 H ALA A 83 4.646 1.301 3.740 1.00 0.00 H new ATOM 0 HA ALA A 83 5.235 -1.367 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.573 -2.070 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.855 -1.091 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.261 -0.370 4.713 1.00 0.00 H new ATOM 1277 N PHE A 84 3.512 -1.493 0.934 1.00 0.00 N ATOM 1278 CA PHE A 84 2.518 -1.595 -0.120 1.00 0.00 C ATOM 1279 C PHE A 84 1.567 -2.766 0.135 1.00 0.00 C ATOM 1280 O PHE A 84 1.955 -3.766 0.737 1.00 0.00 O ATOM 1281 CB PHE A 84 3.275 -1.844 -1.426 1.00 0.00 C ATOM 1282 CG PHE A 84 4.797 -1.793 -1.283 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.421 -0.601 -1.085 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.526 -2.939 -1.354 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.834 -0.553 -0.951 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.939 -2.891 -1.221 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.563 -1.699 -1.022 1.00 0.00 C ATOM 0 H PHE A 84 4.306 -2.126 0.834 1.00 0.00 H new ATOM 0 HA PHE A 84 1.924 -0.682 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.990 -2.820 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.964 -1.102 -2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.842 0.309 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.030 -3.885 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.330 0.393 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.518 -3.801 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.638 -1.662 -0.920 1.00 0.00 H new ATOM 1297 N ILE A 85 0.339 -2.603 -0.335 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.671 -3.634 -0.165 1.00 0.00 C ATOM 1299 C ILE A 85 -1.185 -4.069 -1.539 1.00 0.00 C ATOM 1300 O ILE A 85 -1.437 -3.233 -2.405 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.774 -3.153 0.780 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.591 -3.742 2.181 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.159 -3.457 0.207 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.187 -2.659 3.183 1.00 0.00 C ATOM 0 H ILE A 85 0.020 -1.772 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.240 -4.516 0.309 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.695 -2.070 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.519 -4.214 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.829 -4.521 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.924 -3.105 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.275 -2.951 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.266 -4.532 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.064 -3.104 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.247 -2.206 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.962 -1.894 3.224 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.326 -5.377 -1.695 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.806 -5.934 -2.948 1.00 0.00 C ATOM 1318 C ILE A 86 -2.873 -6.991 -2.657 1.00 0.00 C ATOM 1319 O ILE A 86 -2.570 -8.049 -2.107 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.637 -6.455 -3.786 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.946 -6.357 -5.281 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.257 -7.878 -3.371 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -1.698 -7.597 -5.768 1.00 0.00 C ATOM 0 H ILE A 86 -1.116 -6.067 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.280 -5.160 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 86 0.229 -5.821 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.543 -5.466 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.018 -6.247 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.576 -8.225 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.035 -7.885 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.112 -8.539 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.905 -7.502 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.088 -8.484 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.637 -7.690 -5.223 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.100 -6.668 -3.038 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.214 -7.577 -2.824 1.00 0.00 C ATOM 1337 C LEU A 87 -5.431 -8.415 -4.086 1.00 0.00 C ATOM 1338 O LEU A 87 -5.532 -7.874 -5.185 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.457 -6.805 -2.377 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.605 -6.739 -3.386 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.172 -6.012 -4.661 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.156 -8.135 -3.681 1.00 0.00 C ATOM 0 H LEU A 87 -4.348 -5.790 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.990 -8.271 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.832 -7.259 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.158 -5.786 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.416 -6.160 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.006 -5.979 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.865 -4.996 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.336 -6.543 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.971 -8.060 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.363 -8.759 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.527 -8.582 -2.759 1.00 0.00 H new ATOM 1354 N THR A 88 -5.497 -9.723 -3.884 1.00 0.00 N ATOM 1355 CA THR A 88 -5.701 -10.642 -4.991 1.00 0.00 C ATOM 1356 C THR A 88 -6.418 -11.905 -4.511 1.00 0.00 C ATOM 1357 O THR A 88 -6.453 -12.187 -3.314 1.00 0.00 O ATOM 1358 CB THR A 88 -4.340 -10.921 -5.630 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.537 -12.134 -6.352 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.269 -11.274 -4.596 1.00 0.00 C ATOM 0 H THR A 88 -5.413 -10.168 -2.970 1.00 0.00 H new ATOM 0 HA THR A 88 -6.350 -10.208 -5.751 1.00 0.00 H new ATOM 0 HB THR A 88 -4.021 -10.048 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.107 -11.962 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.322 -11.463 -5.102 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.149 -10.445 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.572 -12.167 -4.049 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.973 -12.633 -5.469 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.687 -13.860 -5.159 1.00 0.00 C ATOM 1370 C ALA A 89 -6.678 -14.984 -4.915 1.00 0.00 C ATOM 1371 O ALA A 89 -6.904 -16.124 -5.317 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.659 -14.186 -6.295 1.00 0.00 C ATOM 0 H ALA A 89 -6.943 -12.396 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.276 -13.742 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.195 -15.106 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.372 -13.370 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.103 -14.314 -7.224 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.586 -14.623 -4.257 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.542 -15.587 -3.954 1.00 0.00 C ATOM 1380 C GLN A 90 -4.252 -15.602 -2.452 1.00 0.00 C ATOM 1381 O GLN A 90 -4.387 -16.636 -1.800 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.272 -15.290 -4.754 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.396 -15.807 -6.189 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.362 -14.652 -7.193 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.548 -14.354 -7.714 1.00 0.00 O flip ATOM 1386 NE2 GLN A 90 -2.327 -14.070 -7.474 1.00 0.00 N flip ATOM 0 H GLN A 90 -5.402 -13.676 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.893 -16.577 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.087 -14.216 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.414 -15.756 -4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.583 -16.502 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.327 -16.363 -6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.449 -14.350 -7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.339 -13.303 -8.147 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.860 -14.442 -1.946 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.550 -14.308 -0.533 1.00 0.00 C ATOM 1397 C GLY A 91 -2.694 -15.479 -0.046 1.00 0.00 C ATOM 1398 O GLY A 91 -3.183 -16.359 0.660 1.00 0.00 O ATOM 0 H GLY A 91 -3.750 -13.586 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.022 -13.370 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.474 -14.264 0.043 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.430 -15.451 -0.443 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.501 -16.499 -0.056 1.00 0.00 C ATOM 1404 C ASP A 92 0.735 -15.867 0.587 1.00 0.00 C ATOM 1405 O ASP A 92 1.451 -15.101 -0.056 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.041 -17.304 -1.273 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.399 -18.792 -1.237 1.00 0.00 C ATOM 1408 OD1 ASP A 92 0.348 -19.539 -0.569 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -1.411 -19.148 -1.878 1.00 0.00 O ATOM 0 H ASP A 92 -1.028 -14.719 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.012 -17.161 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.478 -16.862 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.041 -17.208 -1.366 1.00 0.00 H new ATOM 1414 N ARG A 93 0.948 -16.212 1.848 1.00 0.00 N ATOM 1415 CA ARG A 93 2.085 -15.688 2.585 1.00 0.00 C ATOM 1416 C ARG A 93 3.386 -15.979 1.833 1.00 0.00 C ATOM 1417 O ARG A 93 4.393 -15.306 2.045 1.00 0.00 O ATOM 1418 CB ARG A 93 2.165 -16.302 3.984 1.00 0.00 C ATOM 1419 CG ARG A 93 3.055 -15.461 4.902 1.00 0.00 C ATOM 1420 CD ARG A 93 2.422 -14.096 5.180 1.00 0.00 C ATOM 1421 NE ARG A 93 1.999 -14.014 6.596 1.00 0.00 N ATOM 1422 CZ ARG A 93 2.846 -14.011 7.634 1.00 0.00 C ATOM 1423 NH1 ARG A 93 4.167 -14.087 7.421 1.00 0.00 N ATOM 1424 NH2 ARG A 93 2.373 -13.933 8.885 1.00 0.00 N ATOM 0 H ARG A 93 0.352 -16.848 2.378 1.00 0.00 H new ATOM 0 HA ARG A 93 1.950 -14.611 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.164 -16.376 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.560 -17.316 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.216 -15.989 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.033 -15.325 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.136 -13.303 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.563 -13.944 4.526 1.00 0.00 H new ATOM 0 HE ARG A 93 1.000 -13.956 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.527 -14.147 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.812 -14.085 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.368 -13.876 9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.018 -13.931 9.675 1.00 0.00 H new ATOM 1438 N ALA A 94 3.320 -16.982 0.970 1.00 0.00 N ATOM 1439 CA ALA A 94 4.480 -17.370 0.185 1.00 0.00 C ATOM 1440 C ALA A 94 4.871 -16.219 -0.743 1.00 0.00 C ATOM 1441 O ALA A 94 6.039 -15.839 -0.808 1.00 0.00 O ATOM 1442 CB ALA A 94 4.170 -18.657 -0.582 1.00 0.00 C ATOM 0 H ALA A 94 2.482 -17.537 0.797 1.00 0.00 H new ATOM 0 HA ALA A 94 5.332 -17.574 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.040 -18.948 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.927 -19.451 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.322 -18.490 -1.246 1.00 0.00 H new ATOM 1448 N LEU A 95 3.872 -15.695 -1.438 1.00 0.00 N ATOM 1449 CA LEU A 95 4.097 -14.595 -2.359 1.00 0.00 C ATOM 1450 C LEU A 95 4.495 -13.347 -1.569 1.00 0.00 C ATOM 1451 O LEU A 95 5.315 -12.552 -2.027 1.00 0.00 O ATOM 1452 CB LEU A 95 2.876 -14.390 -3.258 1.00 0.00 C ATOM 1453 CG LEU A 95 2.797 -15.286 -4.496 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.695 -16.336 -4.343 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.621 -14.451 -5.766 1.00 0.00 C ATOM 0 H LEU A 95 2.904 -16.012 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 95 4.924 -14.825 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.979 -14.550 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.861 -13.350 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 95 3.741 -15.822 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.660 -16.960 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.904 -16.959 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.734 -15.838 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.568 -15.112 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.701 -13.871 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.469 -13.775 -5.877 1.00 0.00 H new ATOM 1467 N VAL A 96 3.896 -13.213 -0.395 1.00 0.00 N ATOM 1468 CA VAL A 96 4.177 -12.075 0.464 1.00 0.00 C ATOM 1469 C VAL A 96 5.655 -12.093 0.860 1.00 0.00 C ATOM 1470 O VAL A 96 6.334 -11.071 0.783 1.00 0.00 O ATOM 1471 CB VAL A 96 3.235 -12.084 1.670 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.464 -10.855 2.553 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.774 -12.174 1.224 1.00 0.00 C ATOM 0 H VAL A 96 3.217 -13.874 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 96 3.994 -11.141 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 96 3.459 -12.970 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.782 -10.885 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.493 -10.852 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.280 -9.951 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.126 -12.179 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.531 -11.316 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.623 -13.092 0.656 1.00 0.00 H new ATOM 1483 N GLN A 97 6.109 -13.267 1.275 1.00 0.00 N ATOM 1484 CA GLN A 97 7.494 -13.432 1.683 1.00 0.00 C ATOM 1485 C GLN A 97 8.415 -13.390 0.462 1.00 0.00 C ATOM 1486 O GLN A 97 9.564 -12.961 0.561 1.00 0.00 O ATOM 1487 CB GLN A 97 7.683 -14.731 2.468 1.00 0.00 C ATOM 1488 CG GLN A 97 7.896 -14.446 3.956 1.00 0.00 C ATOM 1489 CD GLN A 97 9.327 -14.784 4.380 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.847 -15.853 4.107 1.00 0.00 O ATOM 1491 NE2 GLN A 97 9.932 -13.815 5.061 1.00 0.00 N ATOM 0 H GLN A 97 5.542 -14.113 1.337 1.00 0.00 H new ATOM 0 HA GLN A 97 7.759 -12.606 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.809 -15.369 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.539 -15.278 2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.691 -13.395 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.190 -15.030 4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.439 -12.944 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.889 -13.943 5.389 1.00 0.00 H new ATOM 1500 N LYS A 98 7.877 -13.841 -0.662 1.00 0.00 N ATOM 1501 CA LYS A 98 8.637 -13.860 -1.900 1.00 0.00 C ATOM 1502 C LYS A 98 9.017 -12.429 -2.283 1.00 0.00 C ATOM 1503 O LYS A 98 10.194 -12.126 -2.475 1.00 0.00 O ATOM 1504 CB LYS A 98 7.863 -14.604 -2.991 1.00 0.00 C ATOM 1505 CG LYS A 98 8.805 -15.099 -4.090 1.00 0.00 C ATOM 1506 CD LYS A 98 8.665 -16.609 -4.293 1.00 0.00 C ATOM 1507 CE LYS A 98 9.891 -17.183 -5.006 1.00 0.00 C ATOM 1508 NZ LYS A 98 9.652 -17.263 -6.464 1.00 0.00 N ATOM 0 H LYS A 98 6.924 -14.196 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 98 9.568 -14.412 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.333 -15.450 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.110 -13.944 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.585 -14.581 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.835 -14.858 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.539 -17.099 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.769 -16.819 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.761 -16.557 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.116 -18.175 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.494 -17.655 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.835 -17.879 -6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.459 -16.311 -6.837 1.00 0.00 H new ATOM 1522 N ALA A 99 7.999 -11.586 -2.381 1.00 0.00 N ATOM 1523 CA ALA A 99 8.212 -10.194 -2.737 1.00 0.00 C ATOM 1524 C ALA A 99 8.833 -9.457 -1.548 1.00 0.00 C ATOM 1525 O ALA A 99 9.819 -8.738 -1.705 1.00 0.00 O ATOM 1526 CB ALA A 99 6.887 -9.571 -3.180 1.00 0.00 C ATOM 0 H ALA A 99 7.025 -11.841 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 99 8.906 -10.115 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.047 -8.526 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.502 -10.112 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.166 -9.630 -2.364 1.00 0.00 H new ATOM 1532 N ALA A 100 8.231 -9.661 -0.386 1.00 0.00 N ATOM 1533 CA ALA A 100 8.712 -9.026 0.829 1.00 0.00 C ATOM 1534 C ALA A 100 10.198 -9.341 1.010 1.00 0.00 C ATOM 1535 O ALA A 100 10.932 -8.562 1.617 1.00 0.00 O ATOM 1536 CB ALA A 100 7.868 -9.491 2.017 1.00 0.00 C ATOM 0 H ALA A 100 7.413 -10.258 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 100 8.611 -7.943 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.229 -9.015 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.826 -9.217 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.947 -10.573 2.118 1.00 0.00 H new ATOM 1542 N ALA A 101 10.598 -10.484 0.472 1.00 0.00 N ATOM 1543 CA ALA A 101 11.983 -10.912 0.566 1.00 0.00 C ATOM 1544 C ALA A 101 12.729 -10.492 -0.702 1.00 0.00 C ATOM 1545 O ALA A 101 13.955 -10.384 -0.699 1.00 0.00 O ATOM 1546 CB ALA A 101 12.036 -12.422 0.801 1.00 0.00 C ATOM 0 H ALA A 101 9.986 -11.127 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 101 12.476 -10.434 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.075 -12.743 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.518 -12.664 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.553 -12.937 -0.030 1.00 0.00 H new ATOM 1552 N LEU A 102 11.959 -10.268 -1.757 1.00 0.00 N ATOM 1553 CA LEU A 102 12.532 -9.863 -3.029 1.00 0.00 C ATOM 1554 C LEU A 102 13.136 -8.464 -2.890 1.00 0.00 C ATOM 1555 O LEU A 102 14.001 -8.077 -3.673 1.00 0.00 O ATOM 1556 CB LEU A 102 11.491 -9.975 -4.145 1.00 0.00 C ATOM 1557 CG LEU A 102 12.033 -9.919 -5.575 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.575 -8.526 -5.901 1.00 0.00 C ATOM 1559 CD2 LEU A 102 13.079 -11.011 -5.809 1.00 0.00 C ATOM 0 H LEU A 102 10.943 -10.359 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 102 13.343 -10.534 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.951 -10.913 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.766 -9.171 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 102 11.208 -10.112 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.954 -8.513 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.775 -7.792 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.382 -8.279 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.448 -10.948 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.909 -10.874 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.627 -11.989 -5.645 1.00 0.00 H new ATOM 1571 N GLY A 103 12.655 -7.744 -1.887 1.00 0.00 N ATOM 1572 CA GLY A 103 13.137 -6.397 -1.634 1.00 0.00 C ATOM 1573 C GLY A 103 12.015 -5.505 -1.097 1.00 0.00 C ATOM 1574 O GLY A 103 12.279 -4.468 -0.491 1.00 0.00 O ATOM 0 H GLY A 103 11.936 -8.068 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.956 -6.429 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.536 -5.971 -2.554 1.00 0.00 H new ATOM 1578 N ALA A 104 10.788 -5.943 -1.338 1.00 0.00 N ATOM 1579 CA ALA A 104 9.626 -5.197 -0.886 1.00 0.00 C ATOM 1580 C ALA A 104 9.795 -4.845 0.593 1.00 0.00 C ATOM 1581 O ALA A 104 10.372 -5.617 1.357 1.00 0.00 O ATOM 1582 CB ALA A 104 8.360 -6.016 -1.149 1.00 0.00 C ATOM 0 H ALA A 104 10.573 -6.805 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 104 9.531 -4.262 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.488 -5.457 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.271 -6.215 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.418 -6.960 -0.608 1.00 0.00 H new ATOM 1588 N ASN A 105 9.281 -3.678 0.953 1.00 0.00 N ATOM 1589 CA ASN A 105 9.368 -3.214 2.327 1.00 0.00 C ATOM 1590 C ASN A 105 8.318 -3.937 3.173 1.00 0.00 C ATOM 1591 O ASN A 105 8.595 -4.343 4.300 1.00 0.00 O ATOM 1592 CB ASN A 105 9.097 -1.711 2.419 1.00 0.00 C ATOM 1593 CG ASN A 105 9.387 -1.187 3.827 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.525 -1.078 4.255 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.298 -0.869 4.521 1.00 0.00 N ATOM 0 H ASN A 105 8.803 -3.040 0.317 1.00 0.00 H new ATOM 0 HA ASN A 105 10.375 -3.422 2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.716 -1.181 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.058 -1.508 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.386 -0.509 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.375 -0.985 4.103 1.00 0.00 H new ATOM 1602 N ASN A 106 7.134 -4.076 2.596 1.00 0.00 N ATOM 1603 CA ASN A 106 6.040 -4.743 3.282 1.00 0.00 C ATOM 1604 C ASN A 106 4.881 -4.949 2.305 1.00 0.00 C ATOM 1605 O ASN A 106 4.420 -3.999 1.674 1.00 0.00 O ATOM 1606 CB ASN A 106 5.529 -3.900 4.452 1.00 0.00 C ATOM 1607 CG ASN A 106 5.646 -4.666 5.772 1.00 0.00 C ATOM 1608 OD1 ASN A 106 4.893 -5.582 6.057 1.00 0.00 O ATOM 1609 ND2 ASN A 106 6.631 -4.241 6.558 1.00 0.00 N ATOM 0 H ASN A 106 6.908 -3.738 1.661 1.00 0.00 H new ATOM 0 HA ASN A 106 6.409 -5.697 3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.099 -2.973 4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.489 -3.623 4.279 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.792 -4.688 7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.225 -3.468 6.258 1.00 0.00 H new