USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 37 HIS : no HD1:sc= 0 X(o=-0.22,f=-0.0036) USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.0036) USER MOD Set 2.1: A 64 ASN : amide:sc= 0.787 K(o=2.2,f=-3.4!) USER MOD Set 2.2: A 83 SER OG : rot -110:sc= 1.4 USER MOD Set 3.1: A 61 THR OG1 : rot 87:sc= 1.12 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.665 K(o=1.8,f=-1.9) USER MOD Set 4.1: A 42 HIS : no HD1:sc= 0 X(o=-2.6,f=-2.6) USER MOD Set 4.2: A 56 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.8!) USER MOD Set 5.1: A 11 HIS : no HD1:sc=-0.00112 X(o=-0.12,f=-0.11) USER MOD Set 5.2: A 85 ASN : amide:sc= -0.114 K(o=-0.12,f=-0.65) USER MOD Single : A 3 SER OG : rot 25:sc= 0.13 USER MOD Single : A 4 MET CE :methyl 173:sc= 0 (180deg=-0.0873) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 70:sc=0.000994 USER MOD Single : A 38 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-4.9!) USER MOD Single : A 39 MET CE :methyl -167:sc=-0.00967 (180deg=-0.246) USER MOD Single : A 50 SER OG : rot -150:sc= -0.382 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc=-0.000122 (180deg=-0.0845) USER MOD Single : A 90 SER OG : rot 180:sc= -0.103 USER MOD Single : A 91 THR OG1 : rot 129:sc= 0.518 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -7.220 -5.324 -14.966 1.00 0.00 N ATOM 18 CA SER A 3 -5.941 -4.897 -15.502 1.00 0.00 C ATOM 19 C SER A 3 -5.869 -3.376 -15.509 1.00 0.00 C ATOM 20 O SER A 3 -6.902 -2.708 -15.584 1.00 0.00 O ATOM 21 CB SER A 3 -5.743 -5.448 -16.919 1.00 0.00 C ATOM 22 OG SER A 3 -5.946 -6.852 -16.953 1.00 0.00 O ATOM 0 HA SER A 3 -5.144 -5.287 -14.869 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.438 -4.960 -17.603 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.737 -5.214 -17.266 1.00 0.00 H new ATOM 0 HG SER A 3 -6.533 -7.116 -16.214 1.00 0.00 H new ATOM 28 N MET A 4 -4.649 -2.845 -15.419 1.00 0.00 N ATOM 29 CA MET A 4 -4.415 -1.401 -15.414 1.00 0.00 C ATOM 30 C MET A 4 -5.080 -0.753 -14.204 1.00 0.00 C ATOM 31 O MET A 4 -6.159 -0.169 -14.307 1.00 0.00 O ATOM 32 CB MET A 4 -4.915 -0.757 -16.714 1.00 0.00 C ATOM 33 CG MET A 4 -4.086 -1.122 -17.936 1.00 0.00 C ATOM 34 SD MET A 4 -4.880 -0.652 -19.487 1.00 0.00 S ATOM 35 CE MET A 4 -4.876 1.137 -19.352 1.00 0.00 C ATOM 0 H MET A 4 -3.798 -3.402 -15.348 1.00 0.00 H new ATOM 0 HA MET A 4 -3.340 -1.235 -15.347 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.949 -1.058 -16.884 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.914 0.327 -16.596 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.114 -0.634 -17.869 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.904 -2.197 -17.938 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.221 1.573 -20.289 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.540 1.442 -18.543 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.864 1.484 -19.141 1.00 0.00 H new ATOM 45 N ARG A 5 -4.438 -0.885 -13.055 1.00 0.00 N ATOM 46 CA ARG A 5 -4.960 -0.319 -11.820 1.00 0.00 C ATOM 47 C ARG A 5 -4.823 1.205 -11.836 1.00 0.00 C ATOM 48 O ARG A 5 -3.900 1.739 -12.456 1.00 0.00 O ATOM 49 CB ARG A 5 -4.237 -0.908 -10.602 1.00 0.00 C ATOM 50 CG ARG A 5 -4.514 -2.387 -10.369 1.00 0.00 C ATOM 51 CD ARG A 5 -3.578 -3.262 -11.183 1.00 0.00 C ATOM 52 NE ARG A 5 -3.804 -4.684 -10.951 1.00 0.00 N ATOM 53 CZ ARG A 5 -2.897 -5.629 -11.190 1.00 0.00 C ATOM 54 NH1 ARG A 5 -1.702 -5.304 -11.677 1.00 0.00 N ATOM 55 NH2 ARG A 5 -3.184 -6.901 -10.938 1.00 0.00 N ATOM 0 H ARG A 5 -3.552 -1.380 -12.951 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.017 -0.575 -11.745 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.164 -0.766 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.532 -0.350 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.400 -2.617 -9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.547 -2.611 -10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.711 -3.044 -12.243 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.546 -3.015 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.711 -4.972 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.478 -4.328 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.010 -6.031 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.098 -7.153 -10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.490 -7.626 -11.121 1.00 0.00 H new ATOM 69 N PRO A 6 -5.744 1.924 -11.175 1.00 0.00 N ATOM 70 CA PRO A 6 -5.749 3.384 -11.122 1.00 0.00 C ATOM 71 C PRO A 6 -5.064 3.944 -9.872 1.00 0.00 C ATOM 72 O PRO A 6 -5.548 3.751 -8.754 1.00 0.00 O ATOM 73 CB PRO A 6 -7.254 3.702 -11.075 1.00 0.00 C ATOM 74 CG PRO A 6 -7.949 2.386 -10.844 1.00 0.00 C ATOM 75 CD PRO A 6 -6.892 1.414 -10.438 1.00 0.00 C ATOM 0 HA PRO A 6 -5.205 3.824 -11.958 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.479 4.408 -10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.585 4.160 -12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.709 2.480 -10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.457 2.051 -11.749 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.724 1.415 -9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.142 0.391 -10.721 1.00 0.00 H new ATOM 83 N PRO A 7 -3.921 4.629 -10.033 1.00 0.00 N ATOM 84 CA PRO A 7 -3.200 5.225 -8.912 1.00 0.00 C ATOM 85 C PRO A 7 -3.885 6.454 -8.343 1.00 0.00 C ATOM 86 O PRO A 7 -4.144 7.430 -9.051 1.00 0.00 O ATOM 87 CB PRO A 7 -1.856 5.642 -9.498 1.00 0.00 C ATOM 88 CG PRO A 7 -1.786 5.007 -10.843 1.00 0.00 C ATOM 89 CD PRO A 7 -3.211 4.843 -11.296 1.00 0.00 C ATOM 0 HA PRO A 7 -3.133 4.512 -8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.782 6.727 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.033 5.309 -8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.224 5.629 -11.540 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.278 4.044 -10.794 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.574 5.726 -11.821 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.327 3.998 -11.975 1.00 0.00 H new ATOM 97 N ILE A 8 -4.175 6.392 -7.064 1.00 0.00 N ATOM 98 CA ILE A 8 -4.779 7.488 -6.365 1.00 0.00 C ATOM 99 C ILE A 8 -3.699 8.463 -5.946 1.00 0.00 C ATOM 100 O ILE A 8 -2.884 8.166 -5.077 1.00 0.00 O ATOM 101 CB ILE A 8 -5.528 6.990 -5.139 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.164 5.658 -5.461 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.594 7.977 -4.763 1.00 0.00 C ATOM 104 CD1 ILE A 8 -5.917 4.589 -4.427 1.00 0.00 C ATOM 0 H ILE A 8 -3.995 5.574 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.490 7.985 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.835 6.878 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.239 5.799 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.787 5.311 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.129 7.617 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.135 8.940 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.293 8.091 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.407 3.665 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.845 4.416 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.320 4.911 -3.467 1.00 0.00 H new ATOM 116 N ILE A 9 -3.673 9.607 -6.583 1.00 0.00 N ATOM 117 CA ILE A 9 -2.669 10.603 -6.284 1.00 0.00 C ATOM 118 C ILE A 9 -2.998 11.346 -4.998 1.00 0.00 C ATOM 119 O ILE A 9 -3.806 12.275 -5.001 1.00 0.00 O ATOM 120 CB ILE A 9 -2.526 11.634 -7.423 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.785 10.996 -8.795 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.141 12.277 -7.382 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.738 9.992 -9.220 1.00 0.00 C ATOM 0 H ILE A 9 -4.334 9.874 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.728 10.065 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.279 12.408 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.757 10.504 -8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.841 11.785 -9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.053 13.003 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.002 12.781 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.379 11.507 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.996 9.589 -10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.765 10.481 -9.274 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.696 9.180 -8.494 1.00 0.00 H new ATOM 135 N ILE A 10 -2.393 10.921 -3.894 1.00 0.00 N ATOM 136 CA ILE A 10 -2.598 11.594 -2.620 1.00 0.00 C ATOM 137 C ILE A 10 -1.772 12.867 -2.638 1.00 0.00 C ATOM 138 O ILE A 10 -0.823 12.969 -3.406 1.00 0.00 O ATOM 139 CB ILE A 10 -2.141 10.755 -1.391 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.768 9.371 -1.354 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.486 11.469 -0.093 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.800 8.310 -0.912 1.00 0.00 C ATOM 0 H ILE A 10 -1.762 10.120 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.668 11.772 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.062 10.642 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.623 9.382 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.148 9.121 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.158 10.865 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.984 12.436 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.564 11.618 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.300 7.342 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.957 8.277 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.440 8.541 0.091 1.00 0.00 H new ATOM 154 N HIS A 11 -2.119 13.817 -1.800 1.00 0.00 N ATOM 155 CA HIS A 11 -1.389 15.056 -1.712 1.00 0.00 C ATOM 156 C HIS A 11 -1.219 15.390 -0.244 1.00 0.00 C ATOM 157 O HIS A 11 -2.197 15.646 0.463 1.00 0.00 O ATOM 158 CB HIS A 11 -2.129 16.182 -2.438 1.00 0.00 C ATOM 159 CG HIS A 11 -1.339 17.449 -2.542 1.00 0.00 C ATOM 160 ND1 HIS A 11 -1.641 18.548 -1.774 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.276 17.733 -3.327 1.00 0.00 C ATOM 162 CE1 HIS A 11 -0.759 19.471 -2.108 1.00 0.00 C ATOM 163 NE2 HIS A 11 0.089 19.022 -3.046 1.00 0.00 N ATOM 0 H HIS A 11 -2.913 13.751 -1.163 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.416 14.949 -2.192 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.393 15.845 -3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.063 16.388 -1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.195 17.071 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.724 20.462 -1.681 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.858 19.542 -3.469 1.00 0.00 H new ATOM 171 N ARG A 12 0.015 15.331 0.221 1.00 0.00 N ATOM 172 CA ARG A 12 0.314 15.604 1.609 1.00 0.00 C ATOM 173 C ARG A 12 -0.015 17.042 1.984 1.00 0.00 C ATOM 174 O ARG A 12 0.669 17.982 1.568 1.00 0.00 O ATOM 175 CB ARG A 12 1.781 15.316 1.887 1.00 0.00 C ATOM 176 CG ARG A 12 2.149 15.443 3.347 1.00 0.00 C ATOM 177 CD ARG A 12 3.594 15.073 3.561 1.00 0.00 C ATOM 178 NE ARG A 12 4.024 15.340 4.930 1.00 0.00 N ATOM 179 CZ ARG A 12 5.230 15.792 5.262 1.00 0.00 C ATOM 180 NH1 ARG A 12 6.167 15.956 4.336 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.501 16.069 6.528 1.00 0.00 N ATOM 0 H ARG A 12 0.828 15.095 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.310 14.952 2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.017 14.308 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.396 16.002 1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.975 16.465 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.509 14.796 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.736 14.016 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.220 15.634 2.867 1.00 0.00 H new ATOM 0 HE ARG A 12 3.356 15.169 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.965 15.735 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.089 16.303 4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.786 15.935 7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.424 16.416 6.788 1.00 0.00 H new ATOM 195 N ALA A 13 -1.063 17.194 2.778 1.00 0.00 N ATOM 196 CA ALA A 13 -1.496 18.501 3.246 1.00 0.00 C ATOM 197 C ALA A 13 -0.681 18.910 4.469 1.00 0.00 C ATOM 198 O ALA A 13 -1.230 19.248 5.517 1.00 0.00 O ATOM 199 CB ALA A 13 -2.983 18.469 3.572 1.00 0.00 C ATOM 0 H ALA A 13 -1.635 16.419 3.115 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.332 19.239 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.300 19.451 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.546 18.203 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.169 17.729 4.351 1.00 0.00 H new ATOM 205 N GLY A 14 0.638 18.850 4.330 1.00 0.00 N ATOM 206 CA GLY A 14 1.527 19.199 5.420 1.00 0.00 C ATOM 207 C GLY A 14 1.721 18.051 6.393 1.00 0.00 C ATOM 208 O GLY A 14 2.847 17.695 6.734 1.00 0.00 O ATOM 0 H GLY A 14 1.110 18.563 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.494 19.498 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.124 20.060 5.953 1.00 0.00 H new ATOM 212 N LYS A 15 0.612 17.464 6.826 1.00 0.00 N ATOM 213 CA LYS A 15 0.635 16.354 7.769 1.00 0.00 C ATOM 214 C LYS A 15 1.149 15.065 7.119 1.00 0.00 C ATOM 215 O LYS A 15 2.352 14.807 7.102 1.00 0.00 O ATOM 216 CB LYS A 15 -0.764 16.137 8.366 1.00 0.00 C ATOM 217 CG LYS A 15 -1.907 16.498 7.423 1.00 0.00 C ATOM 218 CD LYS A 15 -3.262 16.141 8.015 1.00 0.00 C ATOM 219 CE LYS A 15 -3.541 16.915 9.295 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.932 16.706 9.781 1.00 0.00 N ATOM 0 H LYS A 15 -0.325 17.743 6.534 1.00 0.00 H new ATOM 0 HA LYS A 15 1.328 16.612 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.864 15.092 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.856 16.732 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.875 17.566 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.775 15.976 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.044 16.351 7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.298 15.071 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.837 16.605 10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.374 17.978 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.080 17.251 10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.605 17.026 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.084 15.695 9.973 1.00 0.00 H new ATOM 234 N LYS A 16 0.243 14.271 6.563 1.00 0.00 N ATOM 235 CA LYS A 16 0.616 13.007 5.940 1.00 0.00 C ATOM 236 C LYS A 16 -0.445 12.551 4.948 1.00 0.00 C ATOM 237 O LYS A 16 -1.365 13.305 4.631 1.00 0.00 O ATOM 238 CB LYS A 16 0.823 11.935 7.012 1.00 0.00 C ATOM 239 CG LYS A 16 -0.319 11.829 8.014 1.00 0.00 C ATOM 240 CD LYS A 16 0.091 11.033 9.243 1.00 0.00 C ATOM 241 CE LYS A 16 -1.102 10.359 9.906 1.00 0.00 C ATOM 242 NZ LYS A 16 -2.093 11.349 10.403 1.00 0.00 N ATOM 0 H LYS A 16 -0.755 14.479 6.531 1.00 0.00 H new ATOM 0 HA LYS A 16 1.549 13.159 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.955 10.969 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.746 12.149 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.635 12.828 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.177 11.353 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.823 10.277 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.578 11.695 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.584 9.690 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.756 9.744 10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.913 10.849 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.655 11.939 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.405 11.953 9.616 1.00 0.00 H new ATOM 256 N TYR A 17 -0.300 11.328 4.446 1.00 0.00 N ATOM 257 CA TYR A 17 -1.250 10.762 3.494 1.00 0.00 C ATOM 258 C TYR A 17 -2.383 10.063 4.248 1.00 0.00 C ATOM 259 O TYR A 17 -3.320 9.529 3.652 1.00 0.00 O ATOM 260 CB TYR A 17 -0.537 9.823 2.517 1.00 0.00 C ATOM 261 CG TYR A 17 0.754 10.421 1.988 1.00 0.00 C ATOM 262 CD1 TYR A 17 1.945 10.313 2.697 1.00 0.00 C ATOM 263 CD2 TYR A 17 0.772 11.123 0.792 1.00 0.00 C ATOM 264 CE1 TYR A 17 3.112 10.887 2.228 1.00 0.00 C ATOM 265 CE2 TYR A 17 1.934 11.694 0.312 1.00 0.00 C ATOM 266 CZ TYR A 17 3.101 11.575 1.035 1.00 0.00 C ATOM 267 OH TYR A 17 4.255 12.155 0.566 1.00 0.00 O ATOM 0 H TYR A 17 0.472 10.706 4.685 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.691 11.562 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.321 8.878 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.200 9.598 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.959 9.771 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.141 11.225 0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.027 10.796 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.928 12.231 -0.625 1.00 0.00 H new ATOM 0 HH TYR A 17 4.074 12.600 -0.288 1.00 0.00 H new ATOM 277 N GLY A 18 -2.249 10.084 5.572 1.00 0.00 N ATOM 278 CA GLY A 18 -3.224 9.531 6.503 1.00 0.00 C ATOM 279 C GLY A 18 -3.465 8.032 6.442 1.00 0.00 C ATOM 280 O GLY A 18 -3.992 7.453 7.391 1.00 0.00 O ATOM 0 H GLY A 18 -1.440 10.496 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.906 9.782 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.176 10.034 6.334 1.00 0.00 H new ATOM 284 N PHE A 19 -3.106 7.406 5.352 1.00 0.00 N ATOM 285 CA PHE A 19 -3.359 5.979 5.195 1.00 0.00 C ATOM 286 C PHE A 19 -2.277 5.102 5.798 1.00 0.00 C ATOM 287 O PHE A 19 -1.094 5.436 5.824 1.00 0.00 O ATOM 288 CB PHE A 19 -3.649 5.601 3.744 1.00 0.00 C ATOM 289 CG PHE A 19 -2.438 5.479 2.876 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.722 6.595 2.494 1.00 0.00 C ATOM 291 CD2 PHE A 19 -2.016 4.233 2.449 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.600 6.472 1.699 1.00 0.00 C ATOM 293 CE2 PHE A 19 -0.897 4.101 1.657 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.187 5.224 1.279 1.00 0.00 C ATOM 0 H PHE A 19 -2.640 7.849 4.560 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.262 5.780 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.186 4.653 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.314 6.350 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.042 7.574 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.571 3.353 2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.046 7.352 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.576 3.122 1.332 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.690 5.126 0.656 1.00 0.00 H new ATOM 304 N THR A 20 -2.728 3.973 6.285 1.00 0.00 N ATOM 305 CA THR A 20 -1.871 2.983 6.920 1.00 0.00 C ATOM 306 C THR A 20 -1.409 1.891 5.937 1.00 0.00 C ATOM 307 O THR A 20 -2.232 1.112 5.455 1.00 0.00 O ATOM 308 CB THR A 20 -2.630 2.316 8.092 1.00 0.00 C ATOM 309 OG1 THR A 20 -3.038 3.312 9.041 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.788 1.252 8.785 1.00 0.00 C ATOM 0 H THR A 20 -3.712 3.705 6.255 1.00 0.00 H new ATOM 0 HA THR A 20 -0.985 3.506 7.281 1.00 0.00 H new ATOM 0 HB THR A 20 -3.508 1.822 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.747 3.865 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.360 0.810 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.520 0.476 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.881 1.708 9.183 1.00 0.00 H new ATOM 318 N LEU A 21 -0.108 1.832 5.635 1.00 0.00 N ATOM 319 CA LEU A 21 0.411 0.802 4.729 1.00 0.00 C ATOM 320 C LEU A 21 0.809 -0.450 5.507 1.00 0.00 C ATOM 321 O LEU A 21 1.975 -0.639 5.846 1.00 0.00 O ATOM 322 CB LEU A 21 1.614 1.298 3.902 1.00 0.00 C ATOM 323 CG LEU A 21 1.644 0.848 2.437 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.287 0.342 1.971 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.095 1.996 1.560 1.00 0.00 C ATOM 0 H LEU A 21 0.596 2.475 5.998 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.395 0.563 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.625 2.388 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.529 0.958 4.386 1.00 0.00 H new ATOM 0 HG LEU A 21 2.349 0.021 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.352 0.033 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.014 -0.508 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.451 1.138 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.115 1.673 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.402 2.830 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.093 2.313 1.861 1.00 0.00 H new ATOM 337 N ARG A 22 -0.170 -1.283 5.822 1.00 0.00 N ATOM 338 CA ARG A 22 0.082 -2.520 6.553 1.00 0.00 C ATOM 339 C ARG A 22 0.835 -3.514 5.668 1.00 0.00 C ATOM 340 O ARG A 22 0.465 -3.714 4.509 1.00 0.00 O ATOM 341 CB ARG A 22 -1.238 -3.140 7.005 1.00 0.00 C ATOM 342 CG ARG A 22 -1.225 -3.631 8.441 1.00 0.00 C ATOM 343 CD ARG A 22 -1.285 -2.477 9.429 1.00 0.00 C ATOM 344 NE ARG A 22 -1.799 -2.904 10.729 1.00 0.00 N ATOM 345 CZ ARG A 22 -2.186 -2.072 11.695 1.00 0.00 C ATOM 346 NH1 ARG A 22 -2.061 -0.760 11.541 1.00 0.00 N ATOM 347 NH2 ARG A 22 -2.683 -2.553 12.825 1.00 0.00 N ATOM 0 H ARG A 22 -1.149 -1.127 5.583 1.00 0.00 H new ATOM 0 HA ARG A 22 0.690 -2.288 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.033 -2.403 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.480 -3.975 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.073 -4.296 8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.322 -4.215 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.289 -2.052 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.920 -1.687 9.028 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.866 -3.906 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.667 -0.383 10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.359 -0.129 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.770 -3.561 12.956 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.979 -1.915 13.564 1.00 0.00 H new ATOM 561 N VAL A 36 5.587 -10.507 -1.075 1.00 0.00 N ATOM 562 CA VAL A 36 5.432 -9.501 -0.041 1.00 0.00 C ATOM 563 C VAL A 36 4.552 -8.371 -0.556 1.00 0.00 C ATOM 564 O VAL A 36 4.996 -7.541 -1.353 1.00 0.00 O ATOM 565 CB VAL A 36 6.791 -8.937 0.424 1.00 0.00 C ATOM 566 CG1 VAL A 36 6.630 -8.132 1.704 1.00 0.00 C ATOM 567 CG2 VAL A 36 7.802 -10.056 0.618 1.00 0.00 C ATOM 0 HA VAL A 36 4.962 -9.977 0.820 1.00 0.00 H new ATOM 0 HB VAL A 36 7.165 -8.271 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.600 -7.744 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.946 -7.302 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.228 -8.773 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.752 -9.635 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.434 -10.752 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.945 -10.584 -0.325 1.00 0.00 H new ATOM 577 N HIS A 37 3.296 -8.375 -0.130 1.00 0.00 N ATOM 578 CA HIS A 37 2.343 -7.353 -0.546 1.00 0.00 C ATOM 579 C HIS A 37 2.035 -6.418 0.613 1.00 0.00 C ATOM 580 O HIS A 37 2.575 -6.574 1.712 1.00 0.00 O ATOM 581 CB HIS A 37 1.034 -7.981 -1.046 1.00 0.00 C ATOM 582 CG HIS A 37 1.176 -8.818 -2.281 1.00 0.00 C ATOM 583 ND1 HIS A 37 1.308 -8.250 -3.525 1.00 0.00 N ATOM 584 CD2 HIS A 37 1.179 -10.164 -2.407 1.00 0.00 C ATOM 585 CE1 HIS A 37 1.389 -9.259 -4.375 1.00 0.00 C ATOM 586 NE2 HIS A 37 1.315 -10.440 -3.743 1.00 0.00 N ATOM 0 H HIS A 37 2.912 -9.075 0.504 1.00 0.00 H new ATOM 0 HA HIS A 37 2.797 -6.793 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.615 -8.598 -0.251 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.316 -7.185 -1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.091 -10.885 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.501 -9.147 -5.443 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.353 -11.364 -4.173 1.00 0.00 H new ATOM 594 N HIS A 38 1.116 -5.495 0.374 1.00 0.00 N ATOM 595 CA HIS A 38 0.713 -4.517 1.373 1.00 0.00 C ATOM 596 C HIS A 38 -0.746 -4.169 1.157 1.00 0.00 C ATOM 597 O HIS A 38 -1.320 -4.502 0.120 1.00 0.00 O ATOM 598 CB HIS A 38 1.551 -3.232 1.275 1.00 0.00 C ATOM 599 CG HIS A 38 3.017 -3.439 1.476 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.546 -3.678 2.715 1.00 0.00 N ATOM 601 CD2 HIS A 38 4.007 -3.461 0.561 1.00 0.00 C ATOM 602 CE1 HIS A 38 4.839 -3.849 2.525 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.168 -3.727 1.236 1.00 0.00 N ATOM 0 H HIS A 38 0.629 -5.403 -0.517 1.00 0.00 H new ATOM 0 HA HIS A 38 0.869 -4.952 2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.390 -2.781 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.191 -2.520 2.017 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.904 -3.300 -0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.545 -4.061 3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.101 -3.815 0.834 1.00 0.00 H new ATOM 611 N MET A 39 -1.339 -3.478 2.109 1.00 0.00 N ATOM 612 CA MET A 39 -2.740 -3.115 2.013 1.00 0.00 C ATOM 613 C MET A 39 -3.034 -1.908 2.880 1.00 0.00 C ATOM 614 O MET A 39 -2.527 -1.800 3.998 1.00 0.00 O ATOM 615 CB MET A 39 -3.618 -4.290 2.456 1.00 0.00 C ATOM 616 CG MET A 39 -4.451 -4.888 1.334 1.00 0.00 C ATOM 617 SD MET A 39 -5.481 -6.263 1.882 1.00 0.00 S ATOM 618 CE MET A 39 -4.233 -7.516 2.171 1.00 0.00 C ATOM 0 H MET A 39 -0.874 -3.156 2.958 1.00 0.00 H new ATOM 0 HA MET A 39 -2.963 -2.868 0.975 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.982 -5.068 2.879 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.283 -3.955 3.252 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.086 -4.112 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.788 -5.231 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.713 -8.487 2.290 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.549 -7.551 1.323 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.676 -7.273 3.076 1.00 0.00 H new ATOM 628 N VAL A 40 -3.825 -0.984 2.350 1.00 0.00 N ATOM 629 CA VAL A 40 -4.197 0.197 3.099 1.00 0.00 C ATOM 630 C VAL A 40 -5.196 -0.200 4.178 1.00 0.00 C ATOM 631 O VAL A 40 -6.385 -0.409 3.926 1.00 0.00 O ATOM 632 CB VAL A 40 -4.751 1.327 2.206 1.00 0.00 C ATOM 633 CG1 VAL A 40 -5.749 0.794 1.192 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.370 2.422 3.065 1.00 0.00 C ATOM 0 H VAL A 40 -4.217 -1.034 1.409 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.298 0.606 3.559 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.921 1.756 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.120 1.616 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.261 0.057 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.583 0.326 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.757 3.213 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.184 2.004 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.612 2.834 3.731 1.00 0.00 H new ATOM 644 N TRP A 41 -4.669 -0.325 5.375 1.00 0.00 N ATOM 645 CA TRP A 41 -5.429 -0.749 6.536 1.00 0.00 C ATOM 646 C TRP A 41 -6.429 0.292 6.992 1.00 0.00 C ATOM 647 O TRP A 41 -7.561 -0.032 7.351 1.00 0.00 O ATOM 648 CB TRP A 41 -4.464 -1.038 7.668 1.00 0.00 C ATOM 649 CG TRP A 41 -4.892 -2.174 8.520 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.996 -2.171 9.871 1.00 0.00 C ATOM 651 CD2 TRP A 41 -5.286 -3.475 8.080 1.00 0.00 C ATOM 652 NE1 TRP A 41 -5.415 -3.397 10.310 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.606 -4.219 9.225 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.396 -4.083 6.824 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -6.032 -5.542 9.155 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -5.819 -5.393 6.757 1.00 0.00 C ATOM 657 CH2 TRP A 41 -6.132 -6.110 7.917 1.00 0.00 C ATOM 0 H TRP A 41 -3.687 -0.133 5.575 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.993 -1.639 6.256 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.480 -1.254 7.253 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.361 -0.146 8.286 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.780 -1.326 10.507 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.562 -3.659 11.285 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.154 -3.536 5.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.275 -6.100 10.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.910 -5.874 5.794 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.460 -7.135 7.832 1.00 0.00 H new ATOM 668 N HIS A 42 -6.006 1.534 6.968 1.00 0.00 N ATOM 669 CA HIS A 42 -6.852 2.626 7.406 1.00 0.00 C ATOM 670 C HIS A 42 -6.411 3.914 6.775 1.00 0.00 C ATOM 671 O HIS A 42 -5.244 4.271 6.839 1.00 0.00 O ATOM 672 CB HIS A 42 -6.753 2.771 8.920 1.00 0.00 C ATOM 673 CG HIS A 42 -8.006 3.259 9.577 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.707 2.470 10.454 1.00 0.00 N ATOM 675 CD2 HIS A 42 -8.631 4.456 9.462 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.734 3.199 10.853 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.729 4.409 10.277 1.00 0.00 N ATOM 0 H HIS A 42 -5.079 1.817 6.649 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.879 2.408 7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.485 1.805 9.349 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.942 3.460 9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.322 5.287 8.846 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.483 2.862 11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.413 5.152 10.419 1.00 0.00 H new ATOM 685 N VAL A 43 -7.337 4.597 6.151 1.00 0.00 N ATOM 686 CA VAL A 43 -7.030 5.858 5.523 1.00 0.00 C ATOM 687 C VAL A 43 -7.850 6.967 6.156 1.00 0.00 C ATOM 688 O VAL A 43 -9.066 6.848 6.323 1.00 0.00 O ATOM 689 CB VAL A 43 -7.234 5.804 3.998 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.562 5.187 3.657 1.00 0.00 C ATOM 691 CG2 VAL A 43 -7.121 7.176 3.375 1.00 0.00 C ATOM 0 H VAL A 43 -8.309 4.302 6.064 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.974 6.071 5.687 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.441 5.179 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.683 5.160 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.604 4.172 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.363 5.781 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.270 7.100 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.880 7.833 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.131 7.586 3.576 1.00 0.00 H new ATOM 701 N GLU A 44 -7.153 8.015 6.544 1.00 0.00 N ATOM 702 CA GLU A 44 -7.762 9.163 7.194 1.00 0.00 C ATOM 703 C GLU A 44 -8.743 9.878 6.270 1.00 0.00 C ATOM 704 O GLU A 44 -8.352 10.474 5.260 1.00 0.00 O ATOM 705 CB GLU A 44 -6.675 10.122 7.656 1.00 0.00 C ATOM 706 CG GLU A 44 -6.438 10.093 9.156 1.00 0.00 C ATOM 707 CD GLU A 44 -5.124 10.730 9.558 1.00 0.00 C ATOM 708 OE1 GLU A 44 -4.704 11.716 8.915 1.00 0.00 O ATOM 709 OE2 GLU A 44 -4.501 10.250 10.529 1.00 0.00 O ATOM 0 H GLU A 44 -6.144 8.097 6.418 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.326 8.808 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.744 9.877 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.945 11.135 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.255 10.611 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.456 9.059 9.502 1.00 0.00 H new ATOM 716 N ASP A 45 -10.014 9.834 6.640 1.00 0.00 N ATOM 717 CA ASP A 45 -11.082 10.466 5.869 1.00 0.00 C ATOM 718 C ASP A 45 -11.193 11.952 6.207 1.00 0.00 C ATOM 719 O ASP A 45 -12.289 12.510 6.279 1.00 0.00 O ATOM 720 CB ASP A 45 -12.418 9.759 6.143 1.00 0.00 C ATOM 721 CG ASP A 45 -12.862 9.864 7.592 1.00 0.00 C ATOM 722 OD1 ASP A 45 -12.144 9.358 8.484 1.00 0.00 O ATOM 723 OD2 ASP A 45 -13.931 10.457 7.852 1.00 0.00 O ATOM 0 H ASP A 45 -10.338 9.360 7.483 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.841 10.375 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.188 10.188 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.328 8.707 5.872 1.00 0.00 H new ATOM 728 N GLY A 46 -10.050 12.602 6.382 1.00 0.00 N ATOM 729 CA GLY A 46 -10.052 14.006 6.726 1.00 0.00 C ATOM 730 C GLY A 46 -9.289 14.878 5.752 1.00 0.00 C ATOM 731 O GLY A 46 -9.020 16.043 6.050 1.00 0.00 O ATOM 0 H GLY A 46 -9.125 12.182 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.083 14.355 6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.622 14.127 7.720 1.00 0.00 H new ATOM 735 N GLY A 47 -8.919 14.340 4.596 1.00 0.00 N ATOM 736 CA GLY A 47 -8.201 15.164 3.645 1.00 0.00 C ATOM 737 C GLY A 47 -7.351 14.402 2.643 1.00 0.00 C ATOM 738 O GLY A 47 -7.600 14.504 1.440 1.00 0.00 O ATOM 0 H GLY A 47 -9.096 13.378 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.922 15.772 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.558 15.850 4.196 1.00 0.00 H new ATOM 742 N PRO A 48 -6.332 13.642 3.097 1.00 0.00 N ATOM 743 CA PRO A 48 -5.412 12.905 2.204 1.00 0.00 C ATOM 744 C PRO A 48 -6.036 11.832 1.289 1.00 0.00 C ATOM 745 O PRO A 48 -7.053 12.052 0.628 1.00 0.00 O ATOM 746 CB PRO A 48 -4.447 12.245 3.187 1.00 0.00 C ATOM 747 CG PRO A 48 -4.505 13.086 4.397 1.00 0.00 C ATOM 748 CD PRO A 48 -5.941 13.462 4.516 1.00 0.00 C ATOM 0 HA PRO A 48 -4.977 13.598 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.744 11.219 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.436 12.205 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.162 12.541 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.870 13.967 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.527 12.684 5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.077 14.375 5.096 1.00 0.00 H new ATOM 756 N ALA A 49 -5.380 10.664 1.275 1.00 0.00 N ATOM 757 CA ALA A 49 -5.741 9.522 0.436 1.00 0.00 C ATOM 758 C ALA A 49 -7.243 9.234 0.348 1.00 0.00 C ATOM 759 O ALA A 49 -7.726 8.852 -0.716 1.00 0.00 O ATOM 760 CB ALA A 49 -4.972 8.283 0.902 1.00 0.00 C ATOM 0 H ALA A 49 -4.565 10.487 1.862 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.454 9.790 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.241 7.431 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.901 8.468 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.226 8.066 1.940 1.00 0.00 H new ATOM 766 N SER A 50 -7.989 9.444 1.426 1.00 0.00 N ATOM 767 CA SER A 50 -9.423 9.166 1.412 1.00 0.00 C ATOM 768 C SER A 50 -10.152 10.015 0.376 1.00 0.00 C ATOM 769 O SER A 50 -10.770 9.487 -0.549 1.00 0.00 O ATOM 770 CB SER A 50 -10.022 9.405 2.792 1.00 0.00 C ATOM 771 OG SER A 50 -10.197 8.184 3.490 1.00 0.00 O ATOM 0 H SER A 50 -7.632 9.802 2.312 1.00 0.00 H new ATOM 0 HA SER A 50 -9.551 8.119 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.371 10.065 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.982 9.912 2.693 1.00 0.00 H new ATOM 0 HG SER A 50 -10.960 8.262 4.100 1.00 0.00 H new ATOM 777 N GLU A 51 -10.057 11.326 0.529 1.00 0.00 N ATOM 778 CA GLU A 51 -10.713 12.257 -0.381 1.00 0.00 C ATOM 779 C GLU A 51 -10.145 12.122 -1.782 1.00 0.00 C ATOM 780 O GLU A 51 -10.838 12.345 -2.775 1.00 0.00 O ATOM 781 CB GLU A 51 -10.551 13.684 0.120 1.00 0.00 C ATOM 782 CG GLU A 51 -11.032 13.872 1.544 1.00 0.00 C ATOM 783 CD GLU A 51 -12.023 15.003 1.671 1.00 0.00 C ATOM 784 OE1 GLU A 51 -13.223 14.781 1.414 1.00 0.00 O ATOM 785 OE2 GLU A 51 -11.606 16.124 2.029 1.00 0.00 O ATOM 0 H GLU A 51 -9.529 11.773 1.279 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.776 12.017 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.500 13.968 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.103 14.358 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.492 12.948 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.177 14.067 2.191 1.00 0.00 H new ATOM 792 N ALA A 52 -8.877 11.750 -1.846 1.00 0.00 N ATOM 793 CA ALA A 52 -8.192 11.562 -3.110 1.00 0.00 C ATOM 794 C ALA A 52 -8.850 10.447 -3.919 1.00 0.00 C ATOM 795 O ALA A 52 -8.831 10.465 -5.147 1.00 0.00 O ATOM 796 CB ALA A 52 -6.727 11.245 -2.858 1.00 0.00 C ATOM 0 H ALA A 52 -8.297 11.571 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.261 12.484 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.216 11.104 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.264 12.070 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.649 10.333 -2.266 1.00 0.00 H new ATOM 802 N GLY A 53 -9.446 9.481 -3.220 1.00 0.00 N ATOM 803 CA GLY A 53 -10.100 8.379 -3.895 1.00 0.00 C ATOM 804 C GLY A 53 -9.706 7.023 -3.344 1.00 0.00 C ATOM 805 O GLY A 53 -10.314 6.012 -3.689 1.00 0.00 O ATOM 0 H GLY A 53 -9.486 9.445 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.180 8.499 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.858 8.417 -4.957 1.00 0.00 H new ATOM 809 N LEU A 54 -8.687 6.995 -2.497 1.00 0.00 N ATOM 810 CA LEU A 54 -8.219 5.748 -1.901 1.00 0.00 C ATOM 811 C LEU A 54 -9.272 5.179 -0.961 1.00 0.00 C ATOM 812 O LEU A 54 -9.600 5.784 0.060 1.00 0.00 O ATOM 813 CB LEU A 54 -6.900 5.968 -1.148 1.00 0.00 C ATOM 814 CG LEU A 54 -6.091 4.708 -0.842 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.691 5.060 -0.377 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.789 3.887 0.208 1.00 0.00 C ATOM 0 H LEU A 54 -8.166 7.822 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.043 5.032 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.277 6.644 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.120 6.473 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.011 4.125 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.137 4.145 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.179 5.623 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.749 5.665 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.204 2.992 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.893 4.475 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.776 3.599 -0.152 1.00 0.00 H new ATOM 828 N ARG A 55 -9.809 4.029 -1.324 1.00 0.00 N ATOM 829 CA ARG A 55 -10.803 3.362 -0.503 1.00 0.00 C ATOM 830 C ARG A 55 -10.128 2.429 0.502 1.00 0.00 C ATOM 831 O ARG A 55 -9.329 1.571 0.122 1.00 0.00 O ATOM 832 CB ARG A 55 -11.810 2.591 -1.374 1.00 0.00 C ATOM 833 CG ARG A 55 -11.184 1.578 -2.324 1.00 0.00 C ATOM 834 CD ARG A 55 -11.266 0.160 -1.768 1.00 0.00 C ATOM 835 NE ARG A 55 -12.646 -0.313 -1.646 1.00 0.00 N ATOM 836 CZ ARG A 55 -12.990 -1.602 -1.598 1.00 0.00 C ATOM 837 NH1 ARG A 55 -12.065 -2.546 -1.718 1.00 0.00 N ATOM 838 NH2 ARG A 55 -14.263 -1.948 -1.448 1.00 0.00 N ATOM 0 H ARG A 55 -9.573 3.536 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.354 4.123 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.512 2.072 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.388 3.307 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.691 1.621 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.141 1.840 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.710 -0.515 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.786 0.128 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.389 0.384 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.087 -2.288 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.332 -3.530 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.981 -1.228 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.523 -2.934 -1.412 1.00 0.00 H new ATOM 852 N GLN A 56 -10.393 2.650 1.783 1.00 0.00 N ATOM 853 CA GLN A 56 -9.850 1.802 2.840 1.00 0.00 C ATOM 854 C GLN A 56 -10.125 0.325 2.553 1.00 0.00 C ATOM 855 O GLN A 56 -11.219 -0.039 2.116 1.00 0.00 O ATOM 856 CB GLN A 56 -10.460 2.194 4.177 1.00 0.00 C ATOM 857 CG GLN A 56 -9.836 1.513 5.357 1.00 0.00 C ATOM 858 CD GLN A 56 -10.152 2.210 6.664 1.00 0.00 C ATOM 859 OE1 GLN A 56 -10.232 3.435 6.718 1.00 0.00 O ATOM 860 NE2 GLN A 56 -10.337 1.439 7.720 1.00 0.00 N ATOM 0 H GLN A 56 -10.983 3.412 2.118 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.770 1.946 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.369 3.273 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.525 1.964 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.187 0.482 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.755 1.476 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.261 0.426 7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.556 1.857 8.624 1.00 0.00 H new ATOM 869 N GLY A 57 -9.130 -0.517 2.796 1.00 0.00 N ATOM 870 CA GLY A 57 -9.291 -1.937 2.556 1.00 0.00 C ATOM 871 C GLY A 57 -9.051 -2.304 1.105 1.00 0.00 C ATOM 872 O GLY A 57 -9.842 -3.027 0.497 1.00 0.00 O ATOM 0 H GLY A 57 -8.215 -0.243 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.598 -2.491 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.298 -2.240 2.844 1.00 0.00 H new ATOM 876 N ASP A 58 -7.960 -1.794 0.554 1.00 0.00 N ATOM 877 CA ASP A 58 -7.590 -2.053 -0.834 1.00 0.00 C ATOM 878 C ASP A 58 -6.163 -2.566 -0.903 1.00 0.00 C ATOM 879 O ASP A 58 -5.322 -2.209 -0.073 1.00 0.00 O ATOM 880 CB ASP A 58 -7.727 -0.785 -1.673 1.00 0.00 C ATOM 881 CG ASP A 58 -8.092 -1.089 -3.112 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.764 -2.193 -3.592 1.00 0.00 O ATOM 883 OD2 ASP A 58 -8.710 -0.223 -3.766 1.00 0.00 O ATOM 0 H ASP A 58 -7.306 -1.190 1.053 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.264 -2.810 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.490 -0.142 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.789 -0.231 -1.647 1.00 0.00 H new ATOM 888 N LEU A 59 -5.898 -3.398 -1.892 1.00 0.00 N ATOM 889 CA LEU A 59 -4.579 -3.978 -2.076 1.00 0.00 C ATOM 890 C LEU A 59 -3.759 -3.123 -3.031 1.00 0.00 C ATOM 891 O LEU A 59 -4.194 -2.829 -4.143 1.00 0.00 O ATOM 892 CB LEU A 59 -4.705 -5.413 -2.603 1.00 0.00 C ATOM 893 CG LEU A 59 -3.419 -6.040 -3.139 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.462 -6.368 -2.005 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.737 -7.287 -3.946 1.00 0.00 C ATOM 0 H LEU A 59 -6.585 -3.690 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.065 -4.007 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.086 -6.043 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.451 -5.424 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.932 -5.316 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.554 -6.813 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.208 -5.454 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.936 -7.072 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.811 -7.723 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.248 -8.011 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.380 -7.023 -4.785 1.00 0.00 H new ATOM 907 N ILE A 60 -2.580 -2.719 -2.587 1.00 0.00 N ATOM 908 CA ILE A 60 -1.707 -1.887 -3.399 1.00 0.00 C ATOM 909 C ILE A 60 -0.892 -2.749 -4.349 1.00 0.00 C ATOM 910 O ILE A 60 -0.218 -3.687 -3.929 1.00 0.00 O ATOM 911 CB ILE A 60 -0.751 -1.027 -2.534 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.528 0.008 -1.715 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.273 -0.320 -3.409 1.00 0.00 C ATOM 914 CD1 ILE A 60 -2.186 -0.541 -0.472 1.00 0.00 C ATOM 0 H ILE A 60 -2.205 -2.954 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.346 -1.211 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.234 -1.698 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.848 0.809 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.294 0.453 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.935 0.279 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.859 -1.060 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.241 0.329 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.713 0.261 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.895 -1.321 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.426 -0.960 0.187 1.00 0.00 H new ATOM 926 N THR A 61 -0.986 -2.442 -5.628 1.00 0.00 N ATOM 927 CA THR A 61 -0.257 -3.174 -6.638 1.00 0.00 C ATOM 928 C THR A 61 1.001 -2.412 -7.042 1.00 0.00 C ATOM 929 O THR A 61 2.076 -2.995 -7.221 1.00 0.00 O ATOM 930 CB THR A 61 -1.142 -3.414 -7.879 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.463 -2.165 -8.509 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.433 -4.124 -7.491 1.00 0.00 C ATOM 0 H THR A 61 -1.565 -1.685 -5.991 1.00 0.00 H new ATOM 0 HA THR A 61 0.030 -4.138 -6.219 1.00 0.00 H new ATOM 0 HB THR A 61 -0.584 -4.042 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.753 -1.926 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.042 -4.283 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.197 -5.086 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.985 -3.511 -6.778 1.00 0.00 H new ATOM 940 N HIS A 62 0.867 -1.094 -7.151 1.00 0.00 N ATOM 941 CA HIS A 62 1.972 -0.239 -7.563 1.00 0.00 C ATOM 942 C HIS A 62 1.965 1.074 -6.795 1.00 0.00 C ATOM 943 O HIS A 62 0.933 1.493 -6.278 1.00 0.00 O ATOM 944 CB HIS A 62 1.861 0.081 -9.059 1.00 0.00 C ATOM 945 CG HIS A 62 1.940 -1.113 -9.960 1.00 0.00 C ATOM 946 ND1 HIS A 62 0.812 -1.805 -10.337 1.00 0.00 N ATOM 947 CD2 HIS A 62 3.023 -1.694 -10.525 1.00 0.00 C ATOM 948 CE1 HIS A 62 1.235 -2.784 -11.120 1.00 0.00 C ATOM 949 NE2 HIS A 62 2.565 -2.755 -11.260 1.00 0.00 N ATOM 0 H HIS A 62 -0.001 -0.594 -6.958 1.00 0.00 H new ATOM 0 HA HIS A 62 2.897 -0.776 -7.355 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.916 0.593 -9.238 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.656 0.776 -9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.051 -1.381 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.589 -3.513 -11.586 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.131 -3.401 -11.810 1.00 0.00 H new ATOM 957 N VAL A 63 3.120 1.713 -6.724 1.00 0.00 N ATOM 958 CA VAL A 63 3.247 2.997 -6.064 1.00 0.00 C ATOM 959 C VAL A 63 4.172 3.893 -6.881 1.00 0.00 C ATOM 960 O VAL A 63 5.342 3.576 -7.079 1.00 0.00 O ATOM 961 CB VAL A 63 3.755 2.863 -4.610 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.114 2.178 -4.547 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.806 4.229 -3.939 1.00 0.00 C ATOM 0 H VAL A 63 3.990 1.358 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 63 2.256 3.447 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 63 3.050 2.232 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.436 2.103 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.038 1.179 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.842 2.761 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.165 4.119 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.481 4.881 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.808 4.666 -3.928 1.00 0.00 H new ATOM 973 N ASN A 64 3.612 4.977 -7.407 1.00 0.00 N ATOM 974 CA ASN A 64 4.363 5.926 -8.225 1.00 0.00 C ATOM 975 C ASN A 64 4.939 5.232 -9.448 1.00 0.00 C ATOM 976 O ASN A 64 6.000 5.606 -9.950 1.00 0.00 O ATOM 977 CB ASN A 64 5.489 6.560 -7.412 1.00 0.00 C ATOM 978 CG ASN A 64 5.311 8.054 -7.240 1.00 0.00 C ATOM 979 OD1 ASN A 64 4.187 8.551 -7.140 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.415 8.783 -7.204 1.00 0.00 N ATOM 0 H ASN A 64 2.630 5.223 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 64 3.680 6.710 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.535 6.088 -6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.442 6.365 -7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.355 9.795 -7.090 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.326 8.333 -7.290 1.00 0.00 H new ATOM 987 N GLY A 65 4.231 4.218 -9.927 1.00 0.00 N ATOM 988 CA GLY A 65 4.698 3.472 -11.072 1.00 0.00 C ATOM 989 C GLY A 65 5.862 2.579 -10.710 1.00 0.00 C ATOM 990 O GLY A 65 6.859 2.518 -11.425 1.00 0.00 O ATOM 0 H GLY A 65 3.342 3.901 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.884 2.867 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.998 4.162 -11.860 1.00 0.00 H new ATOM 994 N GLU A 66 5.721 1.884 -9.594 1.00 0.00 N ATOM 995 CA GLU A 66 6.730 1.000 -9.091 1.00 0.00 C ATOM 996 C GLU A 66 6.064 -0.106 -8.284 1.00 0.00 C ATOM 997 O GLU A 66 5.453 0.154 -7.248 1.00 0.00 O ATOM 998 CB GLU A 66 7.686 1.780 -8.197 1.00 0.00 C ATOM 999 CG GLU A 66 9.156 1.510 -8.474 1.00 0.00 C ATOM 1000 CD GLU A 66 9.568 1.918 -9.870 1.00 0.00 C ATOM 1001 OE1 GLU A 66 9.949 3.093 -10.062 1.00 0.00 O ATOM 1002 OE2 GLU A 66 9.520 1.067 -10.784 1.00 0.00 O ATOM 0 H GLU A 66 4.885 1.927 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 66 7.287 0.564 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.494 2.846 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.473 1.537 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.764 2.049 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.359 0.448 -8.335 1.00 0.00 H new ATOM 1009 N PRO A 67 6.105 -1.336 -8.806 1.00 0.00 N ATOM 1010 CA PRO A 67 5.543 -2.502 -8.154 1.00 0.00 C ATOM 1011 C PRO A 67 6.027 -2.618 -6.724 1.00 0.00 C ATOM 1012 O PRO A 67 7.218 -2.492 -6.430 1.00 0.00 O ATOM 1013 CB PRO A 67 6.027 -3.692 -8.993 1.00 0.00 C ATOM 1014 CG PRO A 67 6.995 -3.128 -9.979 1.00 0.00 C ATOM 1015 CD PRO A 67 6.683 -1.663 -10.090 1.00 0.00 C ATOM 0 HA PRO A 67 4.456 -2.451 -8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.503 -4.445 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.193 -4.179 -9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.022 -3.282 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.895 -3.621 -10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.581 -1.076 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.987 -1.463 -10.905 1.00 0.00 H new ATOM 1023 N VAL A 68 5.085 -2.869 -5.854 1.00 0.00 N ATOM 1024 CA VAL A 68 5.347 -2.982 -4.425 1.00 0.00 C ATOM 1025 C VAL A 68 5.669 -4.414 -4.076 1.00 0.00 C ATOM 1026 O VAL A 68 6.050 -4.744 -2.956 1.00 0.00 O ATOM 1027 CB VAL A 68 4.146 -2.501 -3.590 1.00 0.00 C ATOM 1028 CG1 VAL A 68 3.864 -1.032 -3.861 1.00 0.00 C ATOM 1029 CG2 VAL A 68 2.916 -3.346 -3.876 1.00 0.00 C ATOM 0 H VAL A 68 4.106 -3.003 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 68 6.199 -2.344 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 68 4.396 -2.615 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.012 -0.709 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.739 -0.439 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.638 -0.894 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.080 -2.988 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.661 -3.271 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.123 -4.386 -3.626 1.00 0.00 H new ATOM 1039 N HIS A 69 5.482 -5.236 -5.073 1.00 0.00 N ATOM 1040 CA HIS A 69 5.702 -6.646 -5.016 1.00 0.00 C ATOM 1041 C HIS A 69 7.121 -6.985 -4.562 1.00 0.00 C ATOM 1042 O HIS A 69 8.048 -7.010 -5.369 1.00 0.00 O ATOM 1043 CB HIS A 69 5.430 -7.177 -6.409 1.00 0.00 C ATOM 1044 CG HIS A 69 3.975 -7.233 -6.766 1.00 0.00 C ATOM 1045 ND1 HIS A 69 3.491 -8.165 -7.650 1.00 0.00 N ATOM 1046 CD2 HIS A 69 2.954 -6.446 -6.345 1.00 0.00 C ATOM 1047 CE1 HIS A 69 2.193 -7.925 -7.749 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.825 -6.893 -6.977 1.00 0.00 N ATOM 0 H HIS A 69 5.157 -4.921 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 69 5.042 -7.107 -4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.948 -6.549 -7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.854 -8.178 -6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.019 -5.625 -5.646 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.516 -8.489 -8.373 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.883 -6.513 -6.879 1.00 0.00 H new ATOM 1056 N GLY A 70 7.290 -7.230 -3.270 1.00 0.00 N ATOM 1057 CA GLY A 70 8.601 -7.567 -2.751 1.00 0.00 C ATOM 1058 C GLY A 70 9.150 -6.496 -1.829 1.00 0.00 C ATOM 1059 O GLY A 70 10.175 -6.696 -1.174 1.00 0.00 O ATOM 0 H GLY A 70 6.545 -7.202 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.543 -8.512 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.291 -7.716 -3.582 1.00 0.00 H new ATOM 1063 N LEU A 71 8.473 -5.356 -1.783 1.00 0.00 N ATOM 1064 CA LEU A 71 8.892 -4.254 -0.929 1.00 0.00 C ATOM 1065 C LEU A 71 8.501 -4.537 0.514 1.00 0.00 C ATOM 1066 O LEU A 71 7.424 -5.062 0.777 1.00 0.00 O ATOM 1067 CB LEU A 71 8.255 -2.929 -1.376 1.00 0.00 C ATOM 1068 CG LEU A 71 8.645 -2.431 -2.771 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.153 -1.004 -2.976 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.153 -2.511 -2.974 1.00 0.00 C ATOM 0 H LEU A 71 7.631 -5.171 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 71 9.975 -4.163 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.171 -3.041 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.519 -2.159 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 71 8.170 -3.075 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.436 -0.661 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.068 -0.976 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.602 -0.353 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.405 -2.152 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.654 -1.893 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.480 -3.545 -2.867 1.00 0.00 H new ATOM 1082 N VAL A 72 9.380 -4.204 1.440 1.00 0.00 N ATOM 1083 CA VAL A 72 9.112 -4.409 2.855 1.00 0.00 C ATOM 1084 C VAL A 72 8.240 -3.266 3.392 1.00 0.00 C ATOM 1085 O VAL A 72 8.006 -2.281 2.686 1.00 0.00 O ATOM 1086 CB VAL A 72 10.437 -4.528 3.662 1.00 0.00 C ATOM 1087 CG1 VAL A 72 10.934 -3.171 4.141 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.278 -5.484 4.832 1.00 0.00 C ATOM 0 H VAL A 72 10.290 -3.789 1.239 1.00 0.00 H new ATOM 0 HA VAL A 72 8.570 -5.347 2.976 1.00 0.00 H new ATOM 0 HB VAL A 72 11.190 -4.933 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.861 -3.300 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.115 -2.526 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.182 -2.715 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.218 -5.549 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.496 -5.118 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.006 -6.472 4.460 1.00 0.00 H new ATOM 1098 N HIS A 73 7.765 -3.416 4.628 1.00 0.00 N ATOM 1099 CA HIS A 73 6.912 -2.424 5.300 1.00 0.00 C ATOM 1100 C HIS A 73 7.375 -0.992 5.072 1.00 0.00 C ATOM 1101 O HIS A 73 6.596 -0.116 4.716 1.00 0.00 O ATOM 1102 CB HIS A 73 6.932 -2.681 6.810 1.00 0.00 C ATOM 1103 CG HIS A 73 5.696 -2.237 7.529 1.00 0.00 C ATOM 1104 ND1 HIS A 73 4.806 -3.096 8.132 1.00 0.00 N ATOM 1105 CD2 HIS A 73 5.211 -0.989 7.741 1.00 0.00 C ATOM 1106 CE1 HIS A 73 3.829 -2.363 8.674 1.00 0.00 C ATOM 1107 NE2 HIS A 73 4.028 -1.077 8.467 1.00 0.00 N ATOM 0 H HIS A 73 7.961 -4.237 5.201 1.00 0.00 H new ATOM 0 HA HIS A 73 5.913 -2.534 4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.075 -3.748 6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.792 -2.170 7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.670 -0.073 7.400 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.986 -2.771 9.212 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.437 -0.305 8.776 1.00 0.00 H new ATOM 1115 N THR A 74 8.651 -0.772 5.282 1.00 0.00 N ATOM 1116 CA THR A 74 9.225 0.548 5.178 1.00 0.00 C ATOM 1117 C THR A 74 9.554 0.960 3.748 1.00 0.00 C ATOM 1118 O THR A 74 9.634 2.152 3.455 1.00 0.00 O ATOM 1119 CB THR A 74 10.488 0.604 6.046 1.00 0.00 C ATOM 1120 OG1 THR A 74 11.518 -0.201 5.458 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.177 0.072 7.435 1.00 0.00 C ATOM 0 H THR A 74 9.319 -1.502 5.529 1.00 0.00 H new ATOM 0 HA THR A 74 8.476 1.258 5.529 1.00 0.00 H new ATOM 0 HB THR A 74 10.826 1.638 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.323 -0.160 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.076 0.113 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.397 0.681 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.835 -0.960 7.361 1.00 0.00 H new ATOM 1129 N GLU A 75 9.702 -0.008 2.850 1.00 0.00 N ATOM 1130 CA GLU A 75 10.046 0.294 1.472 1.00 0.00 C ATOM 1131 C GLU A 75 8.911 1.022 0.763 1.00 0.00 C ATOM 1132 O GLU A 75 9.156 1.969 0.015 1.00 0.00 O ATOM 1133 CB GLU A 75 10.429 -0.976 0.725 1.00 0.00 C ATOM 1134 CG GLU A 75 11.888 -1.368 0.916 1.00 0.00 C ATOM 1135 CD GLU A 75 12.262 -2.631 0.166 1.00 0.00 C ATOM 1136 OE1 GLU A 75 11.820 -3.722 0.575 1.00 0.00 O ATOM 1137 OE2 GLU A 75 13.004 -2.541 -0.832 1.00 0.00 O ATOM 0 H GLU A 75 9.589 -1.001 3.053 1.00 0.00 H new ATOM 0 HA GLU A 75 10.908 0.960 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.793 -1.794 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.233 -0.837 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.526 -0.550 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.085 -1.511 1.979 1.00 0.00 H new ATOM 1144 N VAL A 76 7.672 0.603 1.005 1.00 0.00 N ATOM 1145 CA VAL A 76 6.531 1.270 0.385 1.00 0.00 C ATOM 1146 C VAL A 76 6.422 2.692 0.914 1.00 0.00 C ATOM 1147 O VAL A 76 6.253 3.645 0.154 1.00 0.00 O ATOM 1148 CB VAL A 76 5.200 0.525 0.611 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.130 -0.681 -0.298 1.00 0.00 C ATOM 1150 CG2 VAL A 76 4.998 0.129 2.073 1.00 0.00 C ATOM 0 H VAL A 76 7.434 -0.180 1.614 1.00 0.00 H new ATOM 0 HA VAL A 76 6.710 1.276 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 76 4.386 1.207 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.188 -1.205 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.191 -0.357 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.961 -1.351 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.047 -0.393 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.809 -0.527 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.993 1.024 2.695 1.00 0.00 H new ATOM 1160 N VAL A 77 6.525 2.813 2.231 1.00 0.00 N ATOM 1161 CA VAL A 77 6.491 4.100 2.904 1.00 0.00 C ATOM 1162 C VAL A 77 7.552 5.029 2.323 1.00 0.00 C ATOM 1163 O VAL A 77 7.280 6.194 2.023 1.00 0.00 O ATOM 1164 CB VAL A 77 6.733 3.922 4.414 1.00 0.00 C ATOM 1165 CG1 VAL A 77 6.684 5.253 5.142 1.00 0.00 C ATOM 1166 CG2 VAL A 77 5.730 2.943 5.007 1.00 0.00 C ATOM 0 H VAL A 77 6.635 2.019 2.862 1.00 0.00 H new ATOM 0 HA VAL A 77 5.506 4.541 2.750 1.00 0.00 H new ATOM 0 HB VAL A 77 7.734 3.510 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.859 5.092 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.454 5.914 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.704 5.710 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.918 2.831 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.719 3.321 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.833 1.975 4.517 1.00 0.00 H new ATOM 1176 N GLU A 78 8.755 4.495 2.148 1.00 0.00 N ATOM 1177 CA GLU A 78 9.862 5.260 1.593 1.00 0.00 C ATOM 1178 C GLU A 78 9.561 5.696 0.172 1.00 0.00 C ATOM 1179 O GLU A 78 9.807 6.840 -0.186 1.00 0.00 O ATOM 1180 CB GLU A 78 11.149 4.448 1.631 1.00 0.00 C ATOM 1181 CG GLU A 78 11.772 4.409 3.009 1.00 0.00 C ATOM 1182 CD GLU A 78 13.190 3.880 3.008 1.00 0.00 C ATOM 1183 OE1 GLU A 78 13.849 3.928 1.952 1.00 0.00 O ATOM 1184 OE2 GLU A 78 13.658 3.428 4.071 1.00 0.00 O ATOM 0 H GLU A 78 8.988 3.530 2.384 1.00 0.00 H new ATOM 0 HA GLU A 78 9.993 6.152 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.942 3.430 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.863 4.873 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.766 5.414 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.159 3.786 3.660 1.00 0.00 H new ATOM 1191 N LEU A 79 9.041 4.774 -0.634 1.00 0.00 N ATOM 1192 CA LEU A 79 8.675 5.076 -2.018 1.00 0.00 C ATOM 1193 C LEU A 79 7.744 6.285 -2.061 1.00 0.00 C ATOM 1194 O LEU A 79 7.885 7.173 -2.904 1.00 0.00 O ATOM 1195 CB LEU A 79 7.983 3.868 -2.664 1.00 0.00 C ATOM 1196 CG LEU A 79 8.552 3.417 -4.014 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.533 4.554 -5.025 1.00 0.00 C ATOM 1198 CD2 LEU A 79 9.962 2.879 -3.840 1.00 0.00 C ATOM 0 H LEU A 79 8.863 3.810 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 79 9.584 5.302 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.036 3.029 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.928 4.106 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 79 7.919 2.618 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.942 4.205 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.507 4.891 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.136 5.382 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.353 2.563 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.601 3.660 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.945 2.028 -3.159 1.00 0.00 H new ATOM 1210 N ILE A 80 6.806 6.316 -1.125 1.00 0.00 N ATOM 1211 CA ILE A 80 5.849 7.396 -1.028 1.00 0.00 C ATOM 1212 C ILE A 80 6.531 8.694 -0.594 1.00 0.00 C ATOM 1213 O ILE A 80 6.346 9.738 -1.220 1.00 0.00 O ATOM 1214 CB ILE A 80 4.732 7.012 -0.043 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.847 5.932 -0.664 1.00 0.00 C ATOM 1216 CG2 ILE A 80 3.909 8.224 0.331 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.293 4.956 0.342 1.00 0.00 C ATOM 0 H ILE A 80 6.691 5.592 -0.415 1.00 0.00 H new ATOM 0 HA ILE A 80 5.411 7.565 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 80 5.184 6.620 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.020 6.409 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.424 5.385 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.125 7.930 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.551 8.969 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.457 8.648 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.675 4.218 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.115 4.451 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.688 5.492 1.074 1.00 0.00 H new ATOM 1229 N LEU A 81 7.306 8.627 0.483 1.00 0.00 N ATOM 1230 CA LEU A 81 8.031 9.794 0.984 1.00 0.00 C ATOM 1231 C LEU A 81 8.980 10.334 -0.086 1.00 0.00 C ATOM 1232 O LEU A 81 9.137 11.546 -0.249 1.00 0.00 O ATOM 1233 CB LEU A 81 8.816 9.431 2.247 1.00 0.00 C ATOM 1234 CG LEU A 81 7.967 8.933 3.419 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.853 8.354 4.511 1.00 0.00 C ATOM 1236 CD2 LEU A 81 7.109 10.061 3.970 1.00 0.00 C ATOM 0 H LEU A 81 7.450 7.777 1.028 1.00 0.00 H new ATOM 0 HA LEU A 81 7.306 10.569 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.545 8.661 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.377 10.307 2.572 1.00 0.00 H new ATOM 0 HG LEU A 81 7.308 8.144 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.232 8.005 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.426 7.518 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.536 9.123 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.511 9.690 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.751 10.871 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.448 10.432 3.186 1.00 0.00 H new ATOM 1248 N LYS A 82 9.610 9.408 -0.801 1.00 0.00 N ATOM 1249 CA LYS A 82 10.550 9.720 -1.872 1.00 0.00 C ATOM 1250 C LYS A 82 9.884 10.497 -2.995 1.00 0.00 C ATOM 1251 O LYS A 82 10.496 11.372 -3.608 1.00 0.00 O ATOM 1252 CB LYS A 82 11.106 8.437 -2.437 1.00 0.00 C ATOM 1253 CG LYS A 82 12.404 8.603 -3.205 1.00 0.00 C ATOM 1254 CD LYS A 82 12.549 7.537 -4.279 1.00 0.00 C ATOM 1255 CE LYS A 82 12.867 6.177 -3.681 1.00 0.00 C ATOM 1256 NZ LYS A 82 13.260 5.191 -4.723 1.00 0.00 N ATOM 0 H LYS A 82 9.481 8.407 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 82 11.344 10.335 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.268 7.734 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.361 7.992 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.434 9.591 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.247 8.546 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.627 7.474 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.340 7.824 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.674 6.279 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.997 5.806 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.469 4.276 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.481 5.074 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.106 5.532 -5.223 1.00 0.00 H new ATOM 1270 N SER A 83 8.636 10.153 -3.266 1.00 0.00 N ATOM 1271 CA SER A 83 7.870 10.802 -4.317 1.00 0.00 C ATOM 1272 C SER A 83 7.861 12.322 -4.135 1.00 0.00 C ATOM 1273 O SER A 83 8.122 13.063 -5.084 1.00 0.00 O ATOM 1274 CB SER A 83 6.442 10.260 -4.334 1.00 0.00 C ATOM 1275 OG SER A 83 5.660 10.900 -5.326 1.00 0.00 O ATOM 0 H SER A 83 8.128 9.422 -2.768 1.00 0.00 H new ATOM 0 HA SER A 83 8.346 10.582 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.461 9.186 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.984 10.407 -3.356 1.00 0.00 H new ATOM 0 HG SER A 83 4.996 11.478 -4.896 1.00 0.00 H new ATOM 1281 N GLY A 84 7.583 12.781 -2.919 1.00 0.00 N ATOM 1282 CA GLY A 84 7.574 14.207 -2.661 1.00 0.00 C ATOM 1283 C GLY A 84 6.423 14.649 -1.787 1.00 0.00 C ATOM 1284 O GLY A 84 6.247 14.146 -0.678 1.00 0.00 O ATOM 0 H GLY A 84 7.365 12.195 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.513 14.489 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.526 14.741 -3.610 1.00 0.00 H new ATOM 1288 N ASN A 85 5.644 15.598 -2.289 1.00 0.00 N ATOM 1289 CA ASN A 85 4.498 16.131 -1.557 1.00 0.00 C ATOM 1290 C ASN A 85 3.224 15.395 -1.935 1.00 0.00 C ATOM 1291 O ASN A 85 2.126 15.763 -1.518 1.00 0.00 O ATOM 1292 CB ASN A 85 4.327 17.625 -1.834 1.00 0.00 C ATOM 1293 CG ASN A 85 4.109 17.934 -3.306 1.00 0.00 C ATOM 1294 OD1 ASN A 85 2.988 17.886 -3.806 1.00 0.00 O ATOM 1295 ND2 ASN A 85 5.182 18.270 -4.008 1.00 0.00 N ATOM 0 H ASN A 85 5.785 16.019 -3.207 1.00 0.00 H new ATOM 0 HA ASN A 85 4.687 15.985 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.480 18.001 -1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.211 18.158 -1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.093 18.500 -4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.097 18.299 -3.558 1.00 0.00 H new ATOM 1302 N LYS A 86 3.391 14.348 -2.712 1.00 0.00 N ATOM 1303 CA LYS A 86 2.291 13.535 -3.172 1.00 0.00 C ATOM 1304 C LYS A 86 2.803 12.194 -3.633 1.00 0.00 C ATOM 1305 O LYS A 86 4.005 11.945 -3.601 1.00 0.00 O ATOM 1306 CB LYS A 86 1.584 14.218 -4.329 1.00 0.00 C ATOM 1307 CG LYS A 86 2.497 14.579 -5.489 1.00 0.00 C ATOM 1308 CD LYS A 86 1.700 14.984 -6.718 1.00 0.00 C ATOM 1309 CE LYS A 86 2.595 15.223 -7.923 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.194 13.959 -8.436 1.00 0.00 N ATOM 0 H LYS A 86 4.303 14.035 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 86 1.591 13.399 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.792 13.564 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.104 15.125 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.155 15.397 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.134 13.728 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.975 14.204 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.134 15.890 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.016 15.697 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.391 15.916 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.671 14.143 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.886 13.598 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.445 13.252 -8.577 1.00 0.00 H new ATOM 1324 N VAL A 87 1.892 11.343 -4.066 1.00 0.00 N ATOM 1325 CA VAL A 87 2.267 10.006 -4.539 1.00 0.00 C ATOM 1326 C VAL A 87 1.102 9.277 -5.215 1.00 0.00 C ATOM 1327 O VAL A 87 -0.053 9.414 -4.813 1.00 0.00 O ATOM 1328 CB VAL A 87 2.817 9.141 -3.384 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.735 8.829 -2.359 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.454 7.866 -3.912 1.00 0.00 C ATOM 0 H VAL A 87 0.892 11.543 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 87 3.049 10.154 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 87 3.591 9.719 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.156 8.219 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.351 9.759 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.923 8.285 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.833 7.276 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.710 7.286 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.277 8.120 -4.580 1.00 0.00 H new ATOM 1340 N ALA A 88 1.429 8.516 -6.256 1.00 0.00 N ATOM 1341 CA ALA A 88 0.444 7.747 -7.017 1.00 0.00 C ATOM 1342 C ALA A 88 0.330 6.314 -6.504 1.00 0.00 C ATOM 1343 O ALA A 88 1.046 5.423 -6.958 1.00 0.00 O ATOM 1344 CB ALA A 88 0.805 7.737 -8.491 1.00 0.00 C ATOM 0 H ALA A 88 2.385 8.414 -6.597 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.523 8.232 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.063 7.161 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.825 8.760 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.787 7.283 -8.622 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.562 6.092 -5.561 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.763 4.757 -5.004 1.00 0.00 C ATOM 1352 C ILE A 89 -1.786 3.979 -5.831 1.00 0.00 C ATOM 1353 O ILE A 89 -2.951 4.353 -5.907 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.195 4.813 -3.519 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.659 3.443 -3.038 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.288 5.842 -3.305 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.698 3.320 -1.536 1.00 0.00 C ATOM 0 H ILE A 89 -1.162 6.813 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 89 0.194 4.236 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.326 5.112 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.653 3.243 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.994 2.680 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.571 5.859 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.923 6.826 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.156 5.582 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.037 2.321 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.700 3.489 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.386 4.061 -1.128 1.00 0.00 H new ATOM 1369 N SER A 90 -1.349 2.900 -6.457 1.00 0.00 N ATOM 1370 CA SER A 90 -2.230 2.098 -7.292 1.00 0.00 C ATOM 1371 C SER A 90 -2.821 0.929 -6.514 1.00 0.00 C ATOM 1372 O SER A 90 -2.096 0.042 -6.062 1.00 0.00 O ATOM 1373 CB SER A 90 -1.454 1.585 -8.506 1.00 0.00 C ATOM 1374 OG SER A 90 -2.322 1.249 -9.569 1.00 0.00 O ATOM 0 H SER A 90 -0.390 2.558 -6.404 1.00 0.00 H new ATOM 0 HA SER A 90 -3.056 2.727 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.749 2.347 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.868 0.711 -8.222 1.00 0.00 H new ATOM 0 HG SER A 90 -1.797 0.926 -10.331 1.00 0.00 H new ATOM 1380 N THR A 91 -4.139 0.941 -6.355 1.00 0.00 N ATOM 1381 CA THR A 91 -4.835 -0.124 -5.651 1.00 0.00 C ATOM 1382 C THR A 91 -5.641 -0.952 -6.641 1.00 0.00 C ATOM 1383 O THR A 91 -5.713 -0.600 -7.819 1.00 0.00 O ATOM 1384 CB THR A 91 -5.757 0.439 -4.558 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.756 1.289 -5.135 1.00 0.00 O ATOM 1386 CG2 THR A 91 -4.958 1.218 -3.531 1.00 0.00 C ATOM 0 H THR A 91 -4.747 1.680 -6.706 1.00 0.00 H new ATOM 0 HA THR A 91 -4.091 -0.757 -5.167 1.00 0.00 H new ATOM 0 HB THR A 91 -6.244 -0.401 -4.063 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.642 1.014 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.630 1.608 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.223 0.561 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.446 2.046 -4.020 1.00 0.00 H new ATOM 1394 N THR A 92 -6.231 -2.051 -6.184 1.00 0.00 N ATOM 1395 CA THR A 92 -6.998 -2.912 -7.079 1.00 0.00 C ATOM 1396 C THR A 92 -8.514 -2.703 -6.950 1.00 0.00 C ATOM 1397 O THR A 92 -9.131 -3.141 -5.974 1.00 0.00 O ATOM 1398 CB THR A 92 -6.644 -4.407 -6.871 1.00 0.00 C ATOM 1399 OG1 THR A 92 -7.513 -5.240 -7.648 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.729 -4.807 -5.408 1.00 0.00 C ATOM 0 H THR A 92 -6.195 -2.364 -5.214 1.00 0.00 H new ATOM 0 HA THR A 92 -6.714 -2.622 -8.091 1.00 0.00 H new ATOM 0 HB THR A 92 -5.615 -4.545 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.276 -6.181 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.474 -5.862 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.031 -4.206 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.743 -4.641 -5.044 1.00 0.00 H new ATOM 1408 N PRO A 93 -9.137 -2.006 -7.923 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.590 -1.787 -7.933 1.00 0.00 C ATOM 1410 C PRO A 93 -11.391 -3.086 -7.839 1.00 0.00 C ATOM 1411 O PRO A 93 -10.831 -4.187 -7.847 1.00 0.00 O ATOM 1412 CB PRO A 93 -10.841 -1.129 -9.286 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.564 -0.450 -9.617 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.475 -1.309 -9.045 1.00 0.00 C ATOM 0 HA PRO A 93 -10.905 -1.193 -7.075 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.104 -1.868 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.666 -0.418 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.449 -0.341 -10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.534 0.553 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.090 -2.013 -9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.630 -0.711 -8.703 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.707 -2.945 -7.791 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.611 -4.084 -7.686 1.00 0.00 C ATOM 1424 C LEU A 94 -13.497 -4.998 -8.900 1.00 0.00 C ATOM 1425 O LEU A 94 -13.088 -4.572 -9.983 1.00 0.00 O ATOM 1426 CB LEU A 94 -15.063 -3.609 -7.546 1.00 0.00 C ATOM 1427 CG LEU A 94 -15.285 -2.103 -7.615 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.200 -1.645 -9.050 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.630 -1.735 -7.011 1.00 0.00 C ATOM 0 H LEU A 94 -13.179 -2.041 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 94 -13.323 -4.645 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.655 -4.079 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.452 -3.970 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.509 -1.600 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.359 -0.568 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.215 -1.885 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.965 -2.151 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.772 -0.656 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.426 -2.236 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.659 -2.049 -5.968 1.00 0.00 H new ATOM 1441 N GLU A 95 -13.874 -6.250 -8.709 1.00 0.00 N ATOM 1442 CA GLU A 95 -13.823 -7.240 -9.768 1.00 0.00 C ATOM 1443 C GLU A 95 -14.766 -8.387 -9.445 1.00 0.00 C ATOM 1444 O GLU A 95 -15.168 -8.565 -8.293 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.397 -7.778 -9.950 1.00 0.00 C ATOM 1446 CG GLU A 95 -11.939 -8.726 -8.850 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.445 -8.011 -7.609 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.501 -7.204 -7.716 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -11.990 -8.268 -6.516 1.00 0.00 O ATOM 0 H GLU A 95 -14.222 -6.607 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.131 -6.763 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.336 -8.295 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.707 -6.936 -9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.766 -9.382 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.142 -9.361 -9.236 1.00 0.00 H new