USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 577 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 19 SER OG : rot -150:sc= -1.48! USER MOD Set 1.2: A 57 SER OG : rot 156:sc= 0.705 USER MOD Set 2.1: A 41 GLN : amide:sc= -3.39! C(o=-2.3!,f=-14!) USER MOD Set 2.2: A 69 SER OG : rot 80:sc= 1.07 USER MOD Set 3.1: A 7 THR OG1 : rot -86:sc= 1.23 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.293! (180deg=-1.88!) USER MOD Single : A 2 GLN : amide:sc= -5.8! C(o=-5.8!,f=-4.3!) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -1 (180deg=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= -0.189 (180deg=-0.292) USER MOD Single : A 12 THR OG1 : rot -159:sc= -2.07! USER MOD Single : A 14 THR OG1 : rot -40:sc= 1.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.736 K(o=-0.74,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= -3.35! (180deg=-5.74!) USER MOD Single : A 28 SER OG : rot 29:sc= 1.27 USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= -0.165 (180deg=-1.43!) USER MOD Single : A 31 GLN : amide:sc= -3.45 K(o=-3.5,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.951 (180deg=-1.58) USER MOD Single : A 40 GLN : amide:sc= -1.01 X(o=-1,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.21 (180deg=-0.428) USER MOD Single : A 49 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.33) USER MOD Single : A 62 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0688 (180deg=-0.417) USER MOD Single : A 65 SER OG : rot -59:sc= -1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.508 3.897 3.016 1.00 0.30 N ATOM 2 CA MET A 1 12.480 3.518 1.586 1.00 0.24 C ATOM 3 C MET A 1 11.418 4.403 0.855 1.00 0.24 C ATOM 4 O MET A 1 11.253 5.526 1.309 1.00 0.42 O ATOM 5 CB MET A 1 12.249 1.977 1.537 1.00 0.26 C ATOM 6 CG MET A 1 13.506 1.141 1.327 1.00 0.37 C ATOM 7 SD MET A 1 14.338 1.516 -0.227 1.00 0.64 S ATOM 8 CE MET A 1 15.701 0.354 -0.173 1.00 1.50 C ATOM 0 H1 MET A 1 13.453 3.709 3.407 1.00 0.30 H new ATOM 0 H2 MET A 1 12.289 4.909 3.111 1.00 0.30 H new ATOM 0 H3 MET A 1 11.801 3.340 3.537 1.00 0.30 H new ATOM 0 HA MET A 1 13.409 3.709 1.049 1.00 0.24 H new ATOM 0 HB2 MET A 1 11.776 1.666 2.469 1.00 0.26 H new ATOM 0 HB3 MET A 1 11.546 1.756 0.734 1.00 0.26 H new ATOM 0 HG2 MET A 1 14.195 1.314 2.154 1.00 0.37 H new ATOM 0 HG3 MET A 1 13.242 0.084 1.347 1.00 0.37 H new ATOM 0 HE1 MET A 1 16.309 0.465 -1.071 1.00 1.50 H new ATOM 0 HE2 MET A 1 16.313 0.552 0.707 1.00 1.50 H new ATOM 0 HE3 MET A 1 15.311 -0.662 -0.123 1.00 1.50 H new ATOM 20 N GLN A 2 10.499 3.918 -0.025 1.00 0.21 N ATOM 21 CA GLN A 2 9.655 4.888 -0.798 1.00 0.25 C ATOM 22 C GLN A 2 8.700 4.132 -1.736 1.00 0.19 C ATOM 23 O GLN A 2 9.152 3.324 -2.555 1.00 0.21 O ATOM 24 CB GLN A 2 10.520 5.806 -1.723 1.00 0.44 C ATOM 25 CG GLN A 2 11.392 6.889 -1.048 1.00 1.00 C ATOM 26 CD GLN A 2 12.790 6.396 -0.713 1.00 2.14 C ATOM 27 OE1 GLN A 2 13.396 6.835 0.264 1.00 3.00 O ATOM 28 NE2 GLN A 2 13.313 5.485 -1.527 1.00 2.81 N ATOM 0 H GLN A 2 10.325 2.931 -0.214 1.00 0.21 H new ATOM 0 HA GLN A 2 9.121 5.483 -0.057 1.00 0.25 H new ATOM 0 HB2 GLN A 2 11.177 5.165 -2.312 1.00 0.44 H new ATOM 0 HB3 GLN A 2 9.849 6.304 -2.423 1.00 0.44 H new ATOM 0 HG2 GLN A 2 11.465 7.753 -1.708 1.00 1.00 H new ATOM 0 HG3 GLN A 2 10.902 7.226 -0.135 1.00 1.00 H new ATOM 0 HE21 GLN A 2 12.777 5.147 -2.326 1.00 2.81 H new ATOM 0 HE22 GLN A 2 14.251 5.123 -1.352 1.00 2.81 H new ATOM 37 N ILE A 3 7.396 4.405 -1.639 1.00 0.19 N ATOM 38 CA ILE A 3 6.409 3.757 -2.520 1.00 0.18 C ATOM 39 C ILE A 3 5.274 4.732 -2.827 1.00 0.18 C ATOM 40 O ILE A 3 4.907 5.505 -1.941 1.00 0.24 O ATOM 41 CB ILE A 3 5.810 2.494 -1.859 1.00 0.23 C ATOM 42 CG1 ILE A 3 6.895 1.419 -1.692 1.00 0.24 C ATOM 43 CG2 ILE A 3 4.654 1.961 -2.693 1.00 0.25 C ATOM 44 CD1 ILE A 3 7.407 0.855 -3.010 1.00 0.26 C ATOM 0 H ILE A 3 6.998 5.062 -0.968 1.00 0.19 H new ATOM 0 HA ILE A 3 6.921 3.466 -3.437 1.00 0.18 H new ATOM 0 HB ILE A 3 5.430 2.759 -0.872 1.00 0.23 H new ATOM 0 HG12 ILE A 3 7.733 1.844 -1.139 1.00 0.24 H new ATOM 0 HG13 ILE A 3 6.496 0.604 -1.089 1.00 0.24 H new ATOM 0 HG21 ILE A 3 4.241 1.072 -2.217 1.00 0.25 H new ATOM 0 HG22 ILE A 3 3.879 2.724 -2.771 1.00 0.25 H new ATOM 0 HG23 ILE A 3 5.012 1.705 -3.690 1.00 0.25 H new ATOM 0 HD11 ILE A 3 8.170 0.102 -2.812 1.00 0.26 H new ATOM 0 HD12 ILE A 3 6.581 0.399 -3.556 1.00 0.26 H new ATOM 0 HD13 ILE A 3 7.837 1.659 -3.607 1.00 0.26 H new ATOM 56 N PHE A 4 4.673 4.715 -4.043 1.00 0.16 N ATOM 57 CA PHE A 4 3.578 5.703 -4.280 1.00 0.17 C ATOM 58 C PHE A 4 2.277 4.980 -4.650 1.00 0.19 C ATOM 59 O PHE A 4 2.253 4.105 -5.515 1.00 0.24 O ATOM 60 CB PHE A 4 3.929 6.899 -5.331 1.00 0.28 C ATOM 61 CG PHE A 4 5.278 7.672 -5.136 1.00 0.43 C ATOM 62 CD1 PHE A 4 6.063 7.408 -4.024 1.00 0.77 C ATOM 63 CD2 PHE A 4 5.787 8.659 -6.071 1.00 0.50 C ATOM 64 CE1 PHE A 4 7.271 8.046 -3.812 1.00 1.00 C ATOM 65 CE2 PHE A 4 7.014 9.287 -5.834 1.00 0.63 C ATOM 66 CZ PHE A 4 7.743 8.976 -4.710 1.00 0.86 C ATOM 0 H PHE A 4 4.897 4.089 -4.817 1.00 0.16 H new ATOM 0 HA PHE A 4 3.447 6.224 -3.331 1.00 0.17 H new ATOM 0 HB2 PHE A 4 3.929 6.473 -6.334 1.00 0.28 H new ATOM 0 HB3 PHE A 4 3.118 7.626 -5.293 1.00 0.28 H new ATOM 0 HD1 PHE A 4 5.720 6.682 -3.302 1.00 0.77 H new ATOM 0 HD2 PHE A 4 5.216 8.909 -6.953 1.00 0.50 H new ATOM 0 HE1 PHE A 4 7.851 7.812 -2.932 1.00 1.00 H new ATOM 0 HE2 PHE A 4 7.390 10.018 -6.535 1.00 0.63 H new ATOM 0 HZ PHE A 4 8.690 9.464 -4.531 1.00 0.86 H new ATOM 76 N VAL A 5 1.189 5.376 -3.959 1.00 0.19 N ATOM 77 CA VAL A 5 -0.116 4.769 -4.135 1.00 0.23 C ATOM 78 C VAL A 5 -1.137 5.776 -4.687 1.00 0.20 C ATOM 79 O VAL A 5 -1.310 6.860 -4.099 1.00 0.17 O ATOM 80 CB VAL A 5 -0.654 4.246 -2.765 1.00 0.27 C ATOM 81 CG1 VAL A 5 -1.514 3.006 -2.900 1.00 0.63 C ATOM 82 CG2 VAL A 5 0.464 3.960 -1.785 1.00 0.70 C ATOM 0 H VAL A 5 1.206 6.126 -3.268 1.00 0.19 H new ATOM 0 HA VAL A 5 0.005 3.950 -4.844 1.00 0.23 H new ATOM 0 HB VAL A 5 -1.274 5.056 -2.381 1.00 0.27 H new ATOM 0 HG11 VAL A 5 -1.857 2.692 -1.914 1.00 0.63 H new ATOM 0 HG12 VAL A 5 -2.375 3.227 -3.530 1.00 0.63 H new ATOM 0 HG13 VAL A 5 -0.929 2.205 -3.353 1.00 0.63 H new ATOM 0 HG21 VAL A 5 0.042 3.599 -0.847 1.00 0.70 H new ATOM 0 HG22 VAL A 5 1.127 3.201 -2.201 1.00 0.70 H new ATOM 0 HG23 VAL A 5 1.029 4.874 -1.601 1.00 0.70 H new ATOM 92 N LYS A 6 -1.769 5.468 -5.839 1.00 0.23 N ATOM 93 CA LYS A 6 -2.834 6.386 -6.351 1.00 0.21 C ATOM 94 C LYS A 6 -4.118 6.027 -5.602 1.00 0.21 C ATOM 95 O LYS A 6 -4.349 4.864 -5.272 1.00 0.25 O ATOM 96 CB LYS A 6 -3.132 6.251 -7.903 1.00 0.25 C ATOM 97 CG LYS A 6 -1.893 6.106 -8.842 1.00 0.54 C ATOM 98 CD LYS A 6 -0.992 7.354 -8.939 1.00 0.29 C ATOM 99 CE LYS A 6 0.204 7.114 -9.892 1.00 0.41 C ATOM 100 NZ LYS A 6 1.046 5.976 -9.430 1.00 1.11 N ATOM 0 H LYS A 6 -1.584 4.644 -6.411 1.00 0.23 H new ATOM 0 HA LYS A 6 -2.488 7.407 -6.191 1.00 0.21 H new ATOM 0 HB2 LYS A 6 -3.776 5.384 -8.052 1.00 0.25 H new ATOM 0 HB3 LYS A 6 -3.698 7.127 -8.219 1.00 0.25 H new ATOM 0 HG2 LYS A 6 -1.289 5.268 -8.493 1.00 0.54 H new ATOM 0 HG3 LYS A 6 -2.243 5.852 -9.842 1.00 0.54 H new ATOM 0 HD2 LYS A 6 -1.578 8.201 -9.295 1.00 0.29 H new ATOM 0 HD3 LYS A 6 -0.622 7.616 -7.948 1.00 0.29 H new ATOM 0 HE2 LYS A 6 -0.165 6.911 -10.897 1.00 0.41 H new ATOM 0 HE3 LYS A 6 0.811 8.017 -9.951 1.00 0.41 H new ATOM 0 HZ1 LYS A 6 1.939 5.966 -9.963 1.00 1.11 H new ATOM 0 HZ2 LYS A 6 1.249 6.084 -8.416 1.00 1.11 H new ATOM 0 HZ3 LYS A 6 0.539 5.082 -9.589 1.00 1.11 H new ATOM 114 N THR A 7 -4.945 7.025 -5.342 1.00 0.17 N ATOM 115 CA THR A 7 -6.241 6.777 -4.625 1.00 0.18 C ATOM 116 C THR A 7 -7.443 6.789 -5.587 1.00 0.19 C ATOM 117 O THR A 7 -7.317 7.191 -6.743 1.00 0.19 O ATOM 118 CB THR A 7 -6.511 7.797 -3.484 1.00 0.18 C ATOM 119 OG1 THR A 7 -6.697 9.106 -4.037 1.00 0.17 O ATOM 120 CG2 THR A 7 -5.348 7.822 -2.498 1.00 0.19 C ATOM 0 H THR A 7 -4.774 7.998 -5.597 1.00 0.17 H new ATOM 0 HA THR A 7 -6.132 5.786 -4.185 1.00 0.18 H new ATOM 0 HB THR A 7 -7.413 7.491 -2.954 1.00 0.18 H new ATOM 0 HG1 THR A 7 -5.825 9.538 -4.155 1.00 0.17 H new ATOM 0 HG21 THR A 7 -5.557 8.542 -1.707 1.00 0.19 H new ATOM 0 HG22 THR A 7 -5.219 6.831 -2.062 1.00 0.19 H new ATOM 0 HG23 THR A 7 -4.435 8.110 -3.019 1.00 0.19 H new ATOM 128 N LEU A 8 -8.614 6.343 -5.092 1.00 0.21 N ATOM 129 CA LEU A 8 -9.833 6.275 -5.923 1.00 0.22 C ATOM 130 C LEU A 8 -10.361 7.647 -6.396 1.00 0.22 C ATOM 131 O LEU A 8 -11.207 7.692 -7.288 1.00 0.24 O ATOM 132 CB LEU A 8 -10.960 5.507 -5.213 1.00 0.25 C ATOM 133 CG LEU A 8 -11.161 4.073 -5.718 1.00 0.35 C ATOM 134 CD1 LEU A 8 -10.047 3.163 -5.232 1.00 0.50 C ATOM 135 CD2 LEU A 8 -12.513 3.533 -5.286 1.00 0.34 C ATOM 0 H LEU A 8 -8.742 6.027 -4.131 1.00 0.21 H new ATOM 0 HA LEU A 8 -9.523 5.734 -6.817 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -10.746 5.477 -4.145 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -11.893 6.057 -5.336 1.00 0.25 H new ATOM 0 HG LEU A 8 -11.131 4.096 -6.807 1.00 0.35 H new ATOM 0 HD11 LEU A 8 -10.214 2.152 -5.604 1.00 0.50 H new ATOM 0 HD12 LEU A 8 -9.089 3.532 -5.600 1.00 0.50 H new ATOM 0 HD13 LEU A 8 -10.036 3.151 -4.142 1.00 0.50 H new ATOM 0 HD21 LEU A 8 -12.633 2.515 -5.656 1.00 0.34 H new ATOM 0 HD22 LEU A 8 -12.574 3.534 -4.198 1.00 0.34 H new ATOM 0 HD23 LEU A 8 -13.304 4.163 -5.694 1.00 0.34 H new ATOM 147 N THR A 9 -9.888 8.758 -5.823 1.00 0.21 N ATOM 148 CA THR A 9 -10.361 10.089 -6.281 1.00 0.23 C ATOM 149 C THR A 9 -9.372 10.726 -7.264 1.00 0.23 C ATOM 150 O THR A 9 -9.552 11.869 -7.686 1.00 0.25 O ATOM 151 CB THR A 9 -10.561 11.045 -5.090 1.00 0.25 C ATOM 152 OG1 THR A 9 -9.328 11.203 -4.377 1.00 1.14 O ATOM 153 CG2 THR A 9 -11.633 10.519 -4.148 1.00 1.31 C ATOM 0 H THR A 9 -9.203 8.777 -5.068 1.00 0.21 H new ATOM 0 HA THR A 9 -11.314 9.929 -6.785 1.00 0.23 H new ATOM 0 HB THR A 9 -10.883 12.011 -5.478 1.00 0.25 H new ATOM 0 HG1 THR A 9 -9.463 11.813 -3.622 1.00 1.14 H new ATOM 0 HG21 THR A 9 -11.756 11.211 -3.315 1.00 1.31 H new ATOM 0 HG22 THR A 9 -12.577 10.427 -4.686 1.00 1.31 H new ATOM 0 HG23 THR A 9 -11.335 9.542 -3.767 1.00 1.31 H new ATOM 161 N GLY A 10 -8.332 9.977 -7.625 1.00 0.20 N ATOM 162 CA GLY A 10 -7.325 10.472 -8.570 1.00 0.22 C ATOM 163 C GLY A 10 -6.226 11.273 -7.892 1.00 0.21 C ATOM 164 O GLY A 10 -5.617 12.140 -8.520 1.00 0.24 O ATOM 0 H GLY A 10 -8.162 9.031 -7.282 1.00 0.20 H new ATOM 0 HA2 GLY A 10 -6.881 9.627 -9.096 1.00 0.22 H new ATOM 0 HA3 GLY A 10 -7.812 11.095 -9.320 1.00 0.22 H new ATOM 168 N LYS A 11 -5.962 10.996 -6.611 1.00 0.18 N ATOM 169 CA LYS A 11 -4.871 11.679 -5.884 1.00 0.18 C ATOM 170 C LYS A 11 -3.842 10.637 -5.388 1.00 0.14 C ATOM 171 O LYS A 11 -4.218 9.667 -4.733 1.00 0.13 O ATOM 172 CB LYS A 11 -5.434 12.494 -4.671 1.00 0.22 C ATOM 173 CG LYS A 11 -4.426 13.492 -4.052 1.00 0.78 C ATOM 174 CD LYS A 11 -4.996 14.194 -2.814 1.00 1.39 C ATOM 175 CE LYS A 11 -3.963 15.105 -2.131 1.00 1.90 C ATOM 176 NZ LYS A 11 -2.794 15.382 -3.012 1.00 2.00 N ATOM 0 H LYS A 11 -6.478 10.313 -6.056 1.00 0.18 H new ATOM 0 HA LYS A 11 -4.383 12.375 -6.566 1.00 0.18 H new ATOM 0 HB2 LYS A 11 -6.318 13.043 -4.996 1.00 0.22 H new ATOM 0 HB3 LYS A 11 -5.758 11.797 -3.899 1.00 0.22 H new ATOM 0 HG2 LYS A 11 -3.513 12.962 -3.780 1.00 0.78 H new ATOM 0 HG3 LYS A 11 -4.151 14.238 -4.797 1.00 0.78 H new ATOM 0 HD2 LYS A 11 -5.864 14.786 -3.103 1.00 1.39 H new ATOM 0 HD3 LYS A 11 -5.343 13.445 -2.102 1.00 1.39 H new ATOM 0 HE2 LYS A 11 -4.438 16.046 -1.852 1.00 1.90 H new ATOM 0 HE3 LYS A 11 -3.619 14.636 -1.209 1.00 1.90 H new ATOM 0 HZ1 LYS A 11 -2.163 16.066 -2.547 1.00 2.00 H new ATOM 0 HZ2 LYS A 11 -2.276 14.498 -3.189 1.00 2.00 H new ATOM 0 HZ3 LYS A 11 -3.126 15.776 -3.916 1.00 2.00 H new ATOM 190 N THR A 12 -2.552 10.834 -5.687 1.00 0.14 N ATOM 191 CA THR A 12 -1.503 9.886 -5.235 1.00 0.12 C ATOM 192 C THR A 12 -0.648 10.501 -4.126 1.00 0.13 C ATOM 193 O THR A 12 -0.429 11.714 -4.121 1.00 0.15 O ATOM 194 CB THR A 12 -0.577 9.460 -6.393 1.00 0.14 C ATOM 195 OG1 THR A 12 0.002 8.183 -6.101 1.00 0.14 O ATOM 196 CG2 THR A 12 0.536 10.472 -6.604 1.00 0.20 C ATOM 0 H THR A 12 -2.204 11.624 -6.230 1.00 0.14 H new ATOM 0 HA THR A 12 -2.023 9.007 -4.855 1.00 0.12 H new ATOM 0 HB THR A 12 -1.175 9.403 -7.302 1.00 0.14 H new ATOM 0 HG1 THR A 12 0.814 8.062 -6.637 1.00 0.14 H new ATOM 0 HG21 THR A 12 1.173 10.146 -7.426 1.00 0.20 H new ATOM 0 HG22 THR A 12 0.104 11.444 -6.843 1.00 0.20 H new ATOM 0 HG23 THR A 12 1.131 10.554 -5.694 1.00 0.20 H new ATOM 204 N ILE A 13 -0.167 9.687 -3.173 1.00 0.13 N ATOM 205 CA ILE A 13 0.655 10.264 -2.069 1.00 0.16 C ATOM 206 C ILE A 13 2.079 9.673 -2.071 1.00 0.18 C ATOM 207 O ILE A 13 2.298 8.569 -2.569 1.00 0.18 O ATOM 208 CB ILE A 13 0.026 10.015 -0.658 1.00 0.18 C ATOM 209 CG1 ILE A 13 -1.457 10.436 -0.582 1.00 0.15 C ATOM 210 CG2 ILE A 13 0.808 10.735 0.440 1.00 0.26 C ATOM 211 CD1 ILE A 13 -2.110 9.849 0.640 1.00 0.16 C ATOM 0 H ILE A 13 -0.315 8.679 -3.131 1.00 0.13 H new ATOM 0 HA ILE A 13 0.689 11.338 -2.255 1.00 0.16 H new ATOM 0 HB ILE A 13 0.082 8.938 -0.498 1.00 0.18 H new ATOM 0 HG12 ILE A 13 -1.531 11.523 -0.555 1.00 0.15 H new ATOM 0 HG13 ILE A 13 -1.982 10.103 -1.477 1.00 0.15 H new ATOM 0 HG21 ILE A 13 0.343 10.540 1.406 1.00 0.26 H new ATOM 0 HG22 ILE A 13 1.836 10.372 0.452 1.00 0.26 H new ATOM 0 HG23 ILE A 13 0.804 11.808 0.246 1.00 0.26 H new ATOM 0 HD11 ILE A 13 -3.155 10.156 0.677 1.00 0.16 H new ATOM 0 HD12 ILE A 13 -2.053 8.761 0.596 1.00 0.16 H new ATOM 0 HD13 ILE A 13 -1.596 10.203 1.533 1.00 0.16 H new ATOM 223 N THR A 14 3.042 10.420 -1.507 1.00 0.20 N ATOM 224 CA THR A 14 4.448 9.957 -1.428 1.00 0.24 C ATOM 225 C THR A 14 4.677 9.369 -0.015 1.00 0.25 C ATOM 226 O THR A 14 4.499 10.079 0.977 1.00 0.26 O ATOM 227 CB THR A 14 5.463 11.112 -1.752 1.00 0.29 C ATOM 228 OG1 THR A 14 6.230 10.756 -2.905 1.00 0.49 O ATOM 229 CG2 THR A 14 6.418 11.382 -0.596 1.00 0.63 C ATOM 0 H THR A 14 2.880 11.341 -1.100 1.00 0.20 H new ATOM 0 HA THR A 14 4.626 9.189 -2.180 1.00 0.24 H new ATOM 0 HB THR A 14 4.883 12.017 -1.930 1.00 0.29 H new ATOM 0 HG1 THR A 14 6.456 9.803 -2.866 1.00 0.49 H new ATOM 0 HG21 THR A 14 7.100 12.188 -0.868 1.00 0.63 H new ATOM 0 HG22 THR A 14 5.848 11.671 0.287 1.00 0.63 H new ATOM 0 HG23 THR A 14 6.991 10.480 -0.379 1.00 0.63 H new ATOM 237 N LEU A 15 5.035 8.073 0.101 1.00 0.26 N ATOM 238 CA LEU A 15 5.206 7.455 1.426 1.00 0.30 C ATOM 239 C LEU A 15 6.643 6.936 1.644 1.00 0.32 C ATOM 240 O LEU A 15 7.315 6.492 0.702 1.00 0.30 O ATOM 241 CB LEU A 15 4.198 6.288 1.626 1.00 0.30 C ATOM 242 CG LEU A 15 3.655 6.139 3.044 1.00 0.35 C ATOM 243 CD1 LEU A 15 2.886 7.373 3.444 1.00 0.67 C ATOM 244 CD2 LEU A 15 2.731 4.956 3.110 1.00 0.66 C ATOM 0 H LEU A 15 5.207 7.450 -0.688 1.00 0.26 H new ATOM 0 HA LEU A 15 5.011 8.234 2.163 1.00 0.30 H new ATOM 0 HB2 LEU A 15 3.359 6.432 0.945 1.00 0.30 H new ATOM 0 HB3 LEU A 15 4.684 5.355 1.340 1.00 0.30 H new ATOM 0 HG LEU A 15 4.496 5.998 3.723 1.00 0.35 H new ATOM 0 HD11 LEU A 15 2.505 7.251 4.458 1.00 0.67 H new ATOM 0 HD12 LEU A 15 3.545 8.241 3.405 1.00 0.67 H new ATOM 0 HD13 LEU A 15 2.052 7.520 2.758 1.00 0.67 H new ATOM 0 HD21 LEU A 15 2.345 4.852 4.124 1.00 0.66 H new ATOM 0 HD22 LEU A 15 1.901 5.104 2.419 1.00 0.66 H new ATOM 0 HD23 LEU A 15 3.276 4.053 2.835 1.00 0.66 H new ATOM 256 N GLU A 16 7.057 6.949 2.921 1.00 0.37 N ATOM 257 CA GLU A 16 8.402 6.517 3.347 1.00 0.40 C ATOM 258 C GLU A 16 8.272 5.094 3.909 1.00 0.39 C ATOM 259 O GLU A 16 7.547 4.906 4.886 1.00 0.42 O ATOM 260 CB GLU A 16 8.976 7.478 4.454 1.00 0.45 C ATOM 261 CG GLU A 16 10.414 7.088 4.965 1.00 0.48 C ATOM 262 CD GLU A 16 10.365 5.984 6.003 1.00 0.48 C ATOM 263 OE1 GLU A 16 10.072 6.287 7.179 1.00 0.51 O ATOM 264 OE2 GLU A 16 10.620 4.817 5.641 1.00 0.46 O ATOM 0 H GLU A 16 6.467 7.261 3.692 1.00 0.37 H new ATOM 0 HA GLU A 16 9.088 6.543 2.500 1.00 0.40 H new ATOM 0 HB2 GLU A 16 9.006 8.493 4.058 1.00 0.45 H new ATOM 0 HB3 GLU A 16 8.291 7.487 5.302 1.00 0.45 H new ATOM 0 HG2 GLU A 16 11.024 6.766 4.121 1.00 0.48 H new ATOM 0 HG3 GLU A 16 10.898 7.966 5.392 1.00 0.48 H new ATOM 271 N VAL A 17 8.944 4.083 3.334 1.00 0.37 N ATOM 272 CA VAL A 17 8.732 2.698 3.853 1.00 0.35 C ATOM 273 C VAL A 17 10.053 2.036 4.205 1.00 0.34 C ATOM 274 O VAL A 17 11.079 2.574 3.909 1.00 0.35 O ATOM 275 CB VAL A 17 8.011 1.797 2.798 1.00 0.35 C ATOM 276 CG1 VAL A 17 6.665 2.371 2.421 1.00 0.34 C ATOM 277 CG2 VAL A 17 8.867 1.649 1.553 1.00 0.39 C ATOM 0 H VAL A 17 9.601 4.172 2.559 1.00 0.37 H new ATOM 0 HA VAL A 17 8.111 2.794 4.744 1.00 0.35 H new ATOM 0 HB VAL A 17 7.858 0.817 3.249 1.00 0.35 H new ATOM 0 HG11 VAL A 17 6.186 1.724 1.686 1.00 0.34 H new ATOM 0 HG12 VAL A 17 6.037 2.438 3.309 1.00 0.34 H new ATOM 0 HG13 VAL A 17 6.800 3.365 1.996 1.00 0.34 H new ATOM 0 HG21 VAL A 17 8.350 1.019 0.829 1.00 0.39 H new ATOM 0 HG22 VAL A 17 9.047 2.631 1.116 1.00 0.39 H new ATOM 0 HG23 VAL A 17 9.819 1.190 1.819 1.00 0.39 H new ATOM 287 N GLU A 18 10.052 0.936 4.949 1.00 0.34 N ATOM 288 CA GLU A 18 11.336 0.286 5.236 1.00 0.37 C ATOM 289 C GLU A 18 11.193 -1.249 5.317 1.00 0.41 C ATOM 290 O GLU A 18 10.217 -1.754 5.867 1.00 0.38 O ATOM 291 CB GLU A 18 12.020 0.858 6.511 1.00 0.36 C ATOM 292 CG GLU A 18 11.219 0.735 7.836 1.00 0.36 C ATOM 293 CD GLU A 18 11.023 2.086 8.495 1.00 0.46 C ATOM 294 OE1 GLU A 18 11.916 2.509 9.259 1.00 0.59 O ATOM 295 OE2 GLU A 18 9.979 2.723 8.246 1.00 0.51 O ATOM 0 H GLU A 18 9.226 0.490 5.349 1.00 0.34 H new ATOM 0 HA GLU A 18 11.992 0.514 4.396 1.00 0.37 H new ATOM 0 HB2 GLU A 18 12.977 0.353 6.642 1.00 0.36 H new ATOM 0 HB3 GLU A 18 12.237 1.912 6.339 1.00 0.36 H new ATOM 0 HG2 GLU A 18 10.248 0.283 7.634 1.00 0.36 H new ATOM 0 HG3 GLU A 18 11.745 0.069 8.520 1.00 0.36 H new ATOM 302 N SER A 19 12.167 -1.976 4.745 1.00 0.48 N ATOM 303 CA SER A 19 12.176 -3.446 4.726 1.00 0.56 C ATOM 304 C SER A 19 11.758 -4.108 6.047 1.00 0.55 C ATOM 305 O SER A 19 11.301 -5.251 6.035 1.00 0.59 O ATOM 306 CB SER A 19 13.577 -3.929 4.356 1.00 0.68 C ATOM 307 OG SER A 19 13.804 -5.239 4.840 1.00 1.16 O ATOM 0 H SER A 19 12.973 -1.558 4.281 1.00 0.48 H new ATOM 0 HA SER A 19 11.429 -3.741 3.989 1.00 0.56 H new ATOM 0 HB2 SER A 19 13.698 -3.911 3.273 1.00 0.68 H new ATOM 0 HB3 SER A 19 14.322 -3.250 4.771 1.00 0.68 H new ATOM 0 HG SER A 19 14.758 -5.356 5.033 1.00 1.16 H new ATOM 313 N SER A 20 11.912 -3.421 7.177 1.00 0.52 N ATOM 314 CA SER A 20 11.550 -4.020 8.466 1.00 0.53 C ATOM 315 C SER A 20 10.139 -3.619 8.885 1.00 0.45 C ATOM 316 O SER A 20 9.506 -4.313 9.680 1.00 0.47 O ATOM 317 CB SER A 20 12.570 -3.642 9.578 1.00 0.60 C ATOM 318 OG SER A 20 12.281 -2.353 10.092 1.00 0.55 O ATOM 0 H SER A 20 12.276 -2.470 7.231 1.00 0.52 H new ATOM 0 HA SER A 20 11.577 -5.102 8.335 1.00 0.53 H new ATOM 0 HB2 SER A 20 12.533 -4.378 10.381 1.00 0.60 H new ATOM 0 HB3 SER A 20 13.582 -3.662 9.175 1.00 0.60 H new ATOM 0 HG SER A 20 12.929 -2.127 10.792 1.00 0.55 H new ATOM 324 N ASP A 21 9.642 -2.503 8.354 1.00 0.37 N ATOM 325 CA ASP A 21 8.279 -2.052 8.732 1.00 0.32 C ATOM 326 C ASP A 21 7.226 -2.966 8.094 1.00 0.26 C ATOM 327 O ASP A 21 7.359 -3.353 6.933 1.00 0.25 O ATOM 328 CB ASP A 21 8.019 -0.569 8.285 1.00 0.32 C ATOM 329 CG ASP A 21 8.358 0.419 9.386 1.00 0.58 C ATOM 330 OD1 ASP A 21 9.335 0.175 10.125 1.00 1.01 O ATOM 331 OD2 ASP A 21 7.641 1.434 9.514 1.00 1.20 O ATOM 0 H ASP A 21 10.130 -1.906 7.686 1.00 0.37 H new ATOM 0 HA ASP A 21 8.204 -2.102 9.818 1.00 0.32 H new ATOM 0 HB2 ASP A 21 8.615 -0.346 7.400 1.00 0.32 H new ATOM 0 HB3 ASP A 21 6.973 -0.453 8.002 1.00 0.32 H new ATOM 336 N THR A 22 6.175 -3.310 8.854 1.00 0.24 N ATOM 337 CA THR A 22 5.088 -4.123 8.327 1.00 0.20 C ATOM 338 C THR A 22 4.207 -3.245 7.424 1.00 0.19 C ATOM 339 O THR A 22 4.006 -2.070 7.735 1.00 0.20 O ATOM 340 CB THR A 22 4.235 -4.718 9.466 1.00 0.20 C ATOM 341 OG1 THR A 22 5.069 -5.456 10.366 1.00 0.93 O ATOM 342 CG2 THR A 22 3.149 -5.633 8.920 1.00 0.90 C ATOM 0 H THR A 22 6.062 -3.035 9.830 1.00 0.24 H new ATOM 0 HA THR A 22 5.510 -4.950 7.757 1.00 0.20 H new ATOM 0 HB THR A 22 3.759 -3.893 9.995 1.00 0.20 H new ATOM 0 HG1 THR A 22 4.521 -5.830 11.088 1.00 0.93 H new ATOM 0 HG21 THR A 22 2.564 -6.037 9.746 1.00 0.90 H new ATOM 0 HG22 THR A 22 2.496 -5.067 8.256 1.00 0.90 H new ATOM 0 HG23 THR A 22 3.608 -6.452 8.366 1.00 0.90 H new ATOM 350 N ILE A 23 3.684 -3.781 6.315 1.00 0.20 N ATOM 351 CA ILE A 23 2.869 -2.974 5.414 1.00 0.22 C ATOM 352 C ILE A 23 1.671 -2.331 6.147 1.00 0.21 C ATOM 353 O ILE A 23 1.289 -1.213 5.800 1.00 0.22 O ATOM 354 CB ILE A 23 2.382 -3.793 4.187 1.00 0.26 C ATOM 355 CG1 ILE A 23 3.567 -4.126 3.272 1.00 0.40 C ATOM 356 CG2 ILE A 23 1.315 -3.029 3.415 1.00 0.42 C ATOM 357 CD1 ILE A 23 4.330 -2.913 2.780 1.00 1.40 C ATOM 0 H ILE A 23 3.810 -4.752 6.028 1.00 0.20 H new ATOM 0 HA ILE A 23 3.510 -2.171 5.049 1.00 0.22 H new ATOM 0 HB ILE A 23 1.941 -4.723 4.546 1.00 0.26 H new ATOM 0 HG12 ILE A 23 4.254 -4.780 3.809 1.00 0.40 H new ATOM 0 HG13 ILE A 23 3.201 -4.685 2.411 1.00 0.40 H new ATOM 0 HG21 ILE A 23 0.989 -3.622 2.560 1.00 0.42 H new ATOM 0 HG22 ILE A 23 0.464 -2.834 4.067 1.00 0.42 H new ATOM 0 HG23 ILE A 23 1.727 -2.083 3.064 1.00 0.42 H new ATOM 0 HD11 ILE A 23 5.151 -3.235 2.140 1.00 1.40 H new ATOM 0 HD12 ILE A 23 3.660 -2.267 2.213 1.00 1.40 H new ATOM 0 HD13 ILE A 23 4.729 -2.363 3.633 1.00 1.40 H new ATOM 369 N ASP A 24 1.075 -2.987 7.175 1.00 0.19 N ATOM 370 CA ASP A 24 -0.069 -2.359 7.865 1.00 0.19 C ATOM 371 C ASP A 24 0.333 -1.005 8.465 1.00 0.17 C ATOM 372 O ASP A 24 -0.400 -0.017 8.335 1.00 0.17 O ATOM 373 CB ASP A 24 -0.591 -3.278 8.972 1.00 0.20 C ATOM 374 CG ASP A 24 -1.802 -2.704 9.680 1.00 0.99 C ATOM 375 OD1 ASP A 24 -1.616 -1.971 10.674 1.00 0.94 O ATOM 376 OD2 ASP A 24 -2.936 -2.987 9.240 1.00 1.80 O ATOM 0 H ASP A 24 1.352 -3.903 7.527 1.00 0.19 H new ATOM 0 HA ASP A 24 -0.858 -2.196 7.131 1.00 0.19 H new ATOM 0 HB2 ASP A 24 -0.850 -4.246 8.544 1.00 0.20 H new ATOM 0 HB3 ASP A 24 0.202 -3.452 9.699 1.00 0.20 H new ATOM 381 N ASN A 25 1.500 -0.953 9.108 1.00 0.17 N ATOM 382 CA ASN A 25 1.991 0.303 9.694 1.00 0.18 C ATOM 383 C ASN A 25 1.996 1.436 8.655 1.00 0.18 C ATOM 384 O ASN A 25 1.565 2.560 8.961 1.00 0.18 O ATOM 385 CB ASN A 25 3.395 0.127 10.346 1.00 0.20 C ATOM 386 CG ASN A 25 3.935 1.453 10.946 1.00 0.22 C ATOM 387 OD1 ASN A 25 3.933 1.615 12.166 1.00 0.24 O ATOM 388 ND2 ASN A 25 4.386 2.423 10.098 1.00 0.25 N ATOM 0 H ASN A 25 2.119 -1.753 9.238 1.00 0.17 H new ATOM 0 HA ASN A 25 1.299 0.582 10.489 1.00 0.18 H new ATOM 0 HB2 ASN A 25 3.337 -0.627 11.131 1.00 0.20 H new ATOM 0 HB3 ASN A 25 4.097 -0.244 9.599 1.00 0.20 H new ATOM 0 HD21 ASN A 25 4.732 3.307 10.472 1.00 0.25 H new ATOM 0 HD22 ASN A 25 4.377 2.264 9.091 1.00 0.25 H new ATOM 395 N VAL A 26 2.457 1.175 7.423 1.00 0.20 N ATOM 396 CA VAL A 26 2.498 2.244 6.444 1.00 0.22 C ATOM 397 C VAL A 26 1.076 2.619 6.027 1.00 0.20 C ATOM 398 O VAL A 26 0.775 3.796 5.769 1.00 0.20 O ATOM 399 CB VAL A 26 3.316 1.865 5.184 1.00 0.28 C ATOM 400 CG1 VAL A 26 4.483 2.818 5.003 1.00 0.37 C ATOM 401 CG2 VAL A 26 3.829 0.437 5.269 1.00 0.24 C ATOM 0 H VAL A 26 2.792 0.267 7.100 1.00 0.20 H new ATOM 0 HA VAL A 26 2.994 3.092 6.917 1.00 0.22 H new ATOM 0 HB VAL A 26 2.652 1.942 4.323 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.047 2.538 4.113 1.00 0.37 H new ATOM 0 HG12 VAL A 26 4.108 3.835 4.889 1.00 0.37 H new ATOM 0 HG13 VAL A 26 5.133 2.767 5.876 1.00 0.37 H new ATOM 0 HG21 VAL A 26 4.399 0.201 4.370 1.00 0.24 H new ATOM 0 HG22 VAL A 26 4.471 0.332 6.144 1.00 0.24 H new ATOM 0 HG23 VAL A 26 2.986 -0.248 5.354 1.00 0.24 H new ATOM 411 N LYS A 27 0.192 1.615 6.000 1.00 0.19 N ATOM 412 CA LYS A 27 -1.205 1.853 5.657 1.00 0.20 C ATOM 413 C LYS A 27 -1.821 2.826 6.646 1.00 0.18 C ATOM 414 O LYS A 27 -2.769 3.543 6.323 1.00 0.18 O ATOM 415 CB LYS A 27 -2.026 0.547 5.623 1.00 0.25 C ATOM 416 CG LYS A 27 -1.438 -0.525 4.714 1.00 0.60 C ATOM 417 CD LYS A 27 -1.196 -0.002 3.305 1.00 1.21 C ATOM 418 CE LYS A 27 0.243 0.450 3.109 1.00 2.13 C ATOM 419 NZ LYS A 27 0.350 1.527 2.087 1.00 2.91 N ATOM 0 H LYS A 27 0.420 0.643 6.210 1.00 0.19 H new ATOM 0 HA LYS A 27 -1.228 2.280 4.655 1.00 0.20 H new ATOM 0 HB2 LYS A 27 -2.102 0.150 6.635 1.00 0.25 H new ATOM 0 HB3 LYS A 27 -3.040 0.774 5.293 1.00 0.25 H new ATOM 0 HG2 LYS A 27 -0.498 -0.883 5.135 1.00 0.60 H new ATOM 0 HG3 LYS A 27 -2.115 -1.378 4.674 1.00 0.60 H new ATOM 0 HD2 LYS A 27 -1.433 -0.782 2.582 1.00 1.21 H new ATOM 0 HD3 LYS A 27 -1.869 0.832 3.106 1.00 1.21 H new ATOM 0 HE2 LYS A 27 0.644 0.808 4.057 1.00 2.13 H new ATOM 0 HE3 LYS A 27 0.853 -0.401 2.806 1.00 2.13 H new ATOM 0 HZ1 LYS A 27 1.154 1.330 1.458 1.00 2.91 H new ATOM 0 HZ2 LYS A 27 -0.526 1.563 1.528 1.00 2.91 H new ATOM 0 HZ3 LYS A 27 0.496 2.441 2.560 1.00 2.91 H new ATOM 433 N SER A 28 -1.309 2.826 7.875 1.00 0.17 N ATOM 434 CA SER A 28 -1.853 3.744 8.874 1.00 0.18 C ATOM 435 C SER A 28 -1.203 5.125 8.804 1.00 0.18 C ATOM 436 O SER A 28 -1.885 6.115 9.069 1.00 0.19 O ATOM 437 CB SER A 28 -1.764 3.184 10.315 1.00 0.21 C ATOM 438 OG SER A 28 -0.544 2.492 10.520 1.00 0.22 O ATOM 0 H SER A 28 -0.548 2.227 8.195 1.00 0.17 H new ATOM 0 HA SER A 28 -2.909 3.850 8.625 1.00 0.18 H new ATOM 0 HB2 SER A 28 -1.847 4.001 11.032 1.00 0.21 H new ATOM 0 HB3 SER A 28 -2.602 2.512 10.500 1.00 0.21 H new ATOM 0 HG SER A 28 0.147 2.868 9.936 1.00 0.22 H new ATOM 444 N LYS A 29 0.098 5.241 8.462 1.00 0.19 N ATOM 445 CA LYS A 29 0.662 6.602 8.400 1.00 0.21 C ATOM 446 C LYS A 29 -0.092 7.374 7.321 1.00 0.19 C ATOM 447 O LYS A 29 -0.342 8.582 7.442 1.00 0.20 O ATOM 448 CB LYS A 29 2.203 6.643 8.097 1.00 0.25 C ATOM 449 CG LYS A 29 2.884 8.023 8.427 1.00 0.30 C ATOM 450 CD LYS A 29 4.416 7.933 8.685 1.00 0.36 C ATOM 451 CE LYS A 29 5.058 6.746 7.976 1.00 0.56 C ATOM 452 NZ LYS A 29 4.886 6.823 6.499 1.00 1.71 N ATOM 0 H LYS A 29 0.734 4.474 8.241 1.00 0.19 H new ATOM 0 HA LYS A 29 0.542 7.051 9.386 1.00 0.21 H new ATOM 0 HB2 LYS A 29 2.697 5.859 8.672 1.00 0.25 H new ATOM 0 HB3 LYS A 29 2.362 6.414 7.043 1.00 0.25 H new ATOM 0 HG2 LYS A 29 2.706 8.710 7.600 1.00 0.30 H new ATOM 0 HG3 LYS A 29 2.403 8.451 9.306 1.00 0.30 H new ATOM 0 HD2 LYS A 29 4.893 8.854 8.349 1.00 0.36 H new ATOM 0 HD3 LYS A 29 4.597 7.853 9.757 1.00 0.36 H new ATOM 0 HE2 LYS A 29 6.121 6.711 8.217 1.00 0.56 H new ATOM 0 HE3 LYS A 29 4.617 5.820 8.345 1.00 0.56 H new ATOM 0 HZ1 LYS A 29 4.305 6.024 6.175 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 4.416 7.717 6.250 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 5.818 6.782 6.038 1.00 1.71 H new ATOM 466 N ILE A 30 -0.492 6.644 6.277 1.00 0.17 N ATOM 467 CA ILE A 30 -1.266 7.262 5.214 1.00 0.17 C ATOM 468 C ILE A 30 -2.671 7.543 5.749 1.00 0.16 C ATOM 469 O ILE A 30 -3.175 8.646 5.555 1.00 0.17 O ATOM 470 CB ILE A 30 -1.328 6.396 3.919 1.00 0.19 C ATOM 471 CG1 ILE A 30 -2.081 7.147 2.818 1.00 0.81 C ATOM 472 CG2 ILE A 30 -1.987 5.057 4.190 1.00 0.76 C ATOM 473 CD1 ILE A 30 -2.050 6.450 1.474 1.00 0.92 C ATOM 0 H ILE A 30 -0.296 5.651 6.151 1.00 0.17 H new ATOM 0 HA ILE A 30 -0.771 8.188 4.922 1.00 0.17 H new ATOM 0 HB ILE A 30 -0.308 6.208 3.585 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -3.119 7.279 3.125 1.00 0.81 H new ATOM 0 HG13 ILE A 30 -1.651 8.143 2.711 1.00 0.81 H new ATOM 0 HG21 ILE A 30 -2.017 4.473 3.270 1.00 0.76 H new ATOM 0 HG22 ILE A 30 -1.415 4.516 4.944 1.00 0.76 H new ATOM 0 HG23 ILE A 30 -3.003 5.218 4.551 1.00 0.76 H new ATOM 0 HD11 ILE A 30 -2.604 7.041 0.745 1.00 0.92 H new ATOM 0 HD12 ILE A 30 -1.017 6.342 1.144 1.00 0.92 H new ATOM 0 HD13 ILE A 30 -2.507 5.465 1.565 1.00 0.92 H new ATOM 485 N GLN A 31 -3.330 6.560 6.415 1.00 0.17 N ATOM 486 CA GLN A 31 -4.661 6.874 6.995 1.00 0.19 C ATOM 487 C GLN A 31 -4.613 8.244 7.759 1.00 0.20 C ATOM 488 O GLN A 31 -5.525 9.047 7.611 1.00 0.22 O ATOM 489 CB GLN A 31 -5.231 5.695 7.931 1.00 0.22 C ATOM 490 CG GLN A 31 -6.049 6.178 9.198 1.00 0.32 C ATOM 491 CD GLN A 31 -7.267 6.995 8.812 1.00 1.09 C ATOM 492 OE1 GLN A 31 -7.659 7.920 9.524 1.00 1.33 O ATOM 493 NE2 GLN A 31 -7.882 6.648 7.689 1.00 2.22 N ATOM 0 H GLN A 31 -2.992 5.608 6.558 1.00 0.17 H new ATOM 0 HA GLN A 31 -5.362 6.961 6.165 1.00 0.19 H new ATOM 0 HB2 GLN A 31 -5.872 5.051 7.328 1.00 0.22 H new ATOM 0 HB3 GLN A 31 -4.394 5.084 8.270 1.00 0.22 H new ATOM 0 HG2 GLN A 31 -6.364 5.311 9.778 1.00 0.32 H new ATOM 0 HG3 GLN A 31 -5.402 6.774 9.841 1.00 0.32 H new ATOM 0 HE21 GLN A 31 -7.523 5.875 7.129 1.00 2.22 H new ATOM 0 HE22 GLN A 31 -8.714 7.154 7.386 1.00 2.22 H new ATOM 502 N ASP A 32 -3.567 8.527 8.580 1.00 0.20 N ATOM 503 CA ASP A 32 -3.462 9.819 9.265 1.00 0.22 C ATOM 504 C ASP A 32 -3.361 10.984 8.283 1.00 0.21 C ATOM 505 O ASP A 32 -4.026 12.006 8.451 1.00 0.22 O ATOM 506 CB ASP A 32 -2.245 9.825 10.198 1.00 0.23 C ATOM 507 CG ASP A 32 -2.356 8.788 11.298 1.00 0.25 C ATOM 508 OD1 ASP A 32 -3.083 9.043 12.281 1.00 0.27 O ATOM 509 OD2 ASP A 32 -1.716 7.723 11.178 1.00 0.36 O ATOM 0 H ASP A 32 -2.802 7.881 8.774 1.00 0.20 H new ATOM 0 HA ASP A 32 -4.375 9.951 9.846 1.00 0.22 H new ATOM 0 HB2 ASP A 32 -1.343 9.638 9.615 1.00 0.23 H new ATOM 0 HB3 ASP A 32 -2.137 10.814 10.644 1.00 0.23 H new ATOM 514 N LYS A 33 -2.526 10.824 7.256 1.00 0.19 N ATOM 515 CA LYS A 33 -2.322 11.932 6.271 1.00 0.19 C ATOM 516 C LYS A 33 -3.543 12.149 5.361 1.00 0.18 C ATOM 517 O LYS A 33 -4.091 13.250 5.340 1.00 0.19 O ATOM 518 CB LYS A 33 -1.023 11.775 5.403 1.00 0.22 C ATOM 519 CG LYS A 33 -0.252 13.107 5.137 1.00 0.31 C ATOM 520 CD LYS A 33 0.615 13.109 3.841 1.00 0.39 C ATOM 521 CE LYS A 33 1.959 12.366 3.988 1.00 0.81 C ATOM 522 NZ LYS A 33 1.808 11.067 4.703 1.00 1.81 N ATOM 0 H LYS A 33 -1.989 9.977 7.071 1.00 0.19 H new ATOM 0 HA LYS A 33 -2.191 12.821 6.889 1.00 0.19 H new ATOM 0 HB2 LYS A 33 -0.352 11.076 5.901 1.00 0.22 H new ATOM 0 HB3 LYS A 33 -1.294 11.330 4.445 1.00 0.22 H new ATOM 0 HG2 LYS A 33 -0.973 13.923 5.077 1.00 0.31 H new ATOM 0 HG3 LYS A 33 0.394 13.314 5.990 1.00 0.31 H new ATOM 0 HD2 LYS A 33 0.044 12.651 3.033 1.00 0.39 H new ATOM 0 HD3 LYS A 33 0.811 14.140 3.548 1.00 0.39 H new ATOM 0 HE2 LYS A 33 2.384 12.188 3.000 1.00 0.81 H new ATOM 0 HE3 LYS A 33 2.664 12.997 4.529 1.00 0.81 H new ATOM 0 HZ1 LYS A 33 2.655 10.484 4.547 1.00 1.81 H new ATOM 0 HZ2 LYS A 33 1.692 11.243 5.721 1.00 1.81 H new ATOM 0 HZ3 LYS A 33 0.972 10.566 4.341 1.00 1.81 H new ATOM 536 N GLU A 34 -3.982 11.130 4.615 1.00 0.17 N ATOM 537 CA GLU A 34 -5.122 11.336 3.689 1.00 0.18 C ATOM 538 C GLU A 34 -6.414 10.678 4.217 1.00 0.21 C ATOM 539 O GLU A 34 -7.502 11.044 3.770 1.00 0.24 O ATOM 540 CB GLU A 34 -4.802 10.823 2.242 1.00 0.22 C ATOM 541 CG GLU A 34 -5.883 11.095 1.175 1.00 0.65 C ATOM 542 CD GLU A 34 -5.941 12.563 0.797 1.00 1.79 C ATOM 543 OE1 GLU A 34 -5.025 13.029 0.088 1.00 2.29 O ATOM 544 OE2 GLU A 34 -6.899 13.245 1.215 1.00 2.37 O ATOM 0 H GLU A 34 -3.591 10.188 4.624 1.00 0.17 H new ATOM 0 HA GLU A 34 -5.285 12.412 3.636 1.00 0.18 H new ATOM 0 HB2 GLU A 34 -3.870 11.283 1.912 1.00 0.22 H new ATOM 0 HB3 GLU A 34 -4.628 9.748 2.289 1.00 0.22 H new ATOM 0 HG2 GLU A 34 -5.676 10.498 0.287 1.00 0.65 H new ATOM 0 HG3 GLU A 34 -6.855 10.778 1.553 1.00 0.65 H new ATOM 551 N GLY A 35 -6.328 9.715 5.161 1.00 0.22 N ATOM 552 CA GLY A 35 -7.551 9.132 5.705 1.00 0.26 C ATOM 553 C GLY A 35 -8.058 7.809 5.067 1.00 0.29 C ATOM 554 O GLY A 35 -9.202 7.455 5.354 1.00 0.35 O ATOM 0 H GLY A 35 -5.458 9.344 5.543 1.00 0.22 H new ATOM 0 HA2 GLY A 35 -7.395 8.955 6.769 1.00 0.26 H new ATOM 0 HA3 GLY A 35 -8.345 9.874 5.618 1.00 0.26 H new ATOM 558 N ILE A 36 -7.302 7.035 4.218 1.00 0.27 N ATOM 559 CA ILE A 36 -7.907 5.785 3.699 1.00 0.32 C ATOM 560 C ILE A 36 -7.831 4.701 4.788 1.00 0.31 C ATOM 561 O ILE A 36 -6.744 4.401 5.283 1.00 0.26 O ATOM 562 CB ILE A 36 -7.252 5.258 2.361 1.00 0.34 C ATOM 563 CG1 ILE A 36 -8.161 4.265 1.678 1.00 0.42 C ATOM 564 CG2 ILE A 36 -5.885 4.593 2.588 1.00 0.30 C ATOM 565 CD1 ILE A 36 -7.711 3.946 0.274 1.00 0.95 C ATOM 0 H ILE A 36 -6.353 7.240 3.906 1.00 0.27 H new ATOM 0 HA ILE A 36 -8.942 6.016 3.448 1.00 0.32 H new ATOM 0 HB ILE A 36 -7.104 6.136 1.732 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -8.196 3.346 2.263 1.00 0.42 H new ATOM 0 HG13 ILE A 36 -9.175 4.664 1.650 1.00 0.42 H new ATOM 0 HG21 ILE A 36 -5.484 4.251 1.634 1.00 0.30 H new ATOM 0 HG22 ILE A 36 -5.199 5.314 3.032 1.00 0.30 H new ATOM 0 HG23 ILE A 36 -6.001 3.742 3.259 1.00 0.30 H new ATOM 0 HD11 ILE A 36 -8.398 3.228 -0.174 1.00 0.95 H new ATOM 0 HD12 ILE A 36 -7.702 4.859 -0.321 1.00 0.95 H new ATOM 0 HD13 ILE A 36 -6.708 3.521 0.301 1.00 0.95 H new ATOM 577 N PRO A 37 -8.971 4.125 5.224 1.00 0.37 N ATOM 578 CA PRO A 37 -8.957 3.072 6.259 1.00 0.39 C ATOM 579 C PRO A 37 -8.081 1.887 5.810 1.00 0.36 C ATOM 580 O PRO A 37 -8.340 1.305 4.753 1.00 0.35 O ATOM 581 CB PRO A 37 -10.460 2.639 6.316 1.00 0.45 C ATOM 582 CG PRO A 37 -11.187 3.863 5.886 1.00 0.49 C ATOM 583 CD PRO A 37 -10.342 4.462 4.796 1.00 0.45 C ATOM 0 HA PRO A 37 -8.555 3.405 7.216 1.00 0.39 H new ATOM 0 HB2 PRO A 37 -10.661 1.798 5.653 1.00 0.45 H new ATOM 0 HB3 PRO A 37 -10.752 2.330 7.320 1.00 0.45 H new ATOM 0 HG2 PRO A 37 -12.185 3.620 5.522 1.00 0.49 H new ATOM 0 HG3 PRO A 37 -11.311 4.559 6.716 1.00 0.49 H new ATOM 0 HD2 PRO A 37 -10.578 4.036 3.821 1.00 0.45 H new ATOM 0 HD3 PRO A 37 -10.488 5.539 4.717 1.00 0.45 H new ATOM 591 N PRO A 38 -7.064 1.470 6.608 1.00 0.35 N ATOM 592 CA PRO A 38 -6.185 0.365 6.207 1.00 0.33 C ATOM 593 C PRO A 38 -6.942 -0.936 5.861 1.00 0.32 C ATOM 594 O PRO A 38 -6.583 -1.594 4.884 1.00 0.32 O ATOM 595 CB PRO A 38 -5.182 0.183 7.398 1.00 0.34 C ATOM 596 CG PRO A 38 -5.877 0.907 8.596 1.00 0.36 C ATOM 597 CD PRO A 38 -6.691 2.041 7.922 1.00 0.38 C ATOM 0 HA PRO A 38 -5.668 0.601 5.277 1.00 0.33 H new ATOM 0 HB2 PRO A 38 -5.009 -0.871 7.616 1.00 0.34 H new ATOM 0 HB3 PRO A 38 -4.212 0.626 7.173 1.00 0.34 H new ATOM 0 HG2 PRO A 38 -6.523 0.228 9.153 1.00 0.36 H new ATOM 0 HG3 PRO A 38 -5.147 1.304 9.301 1.00 0.36 H new ATOM 0 HD2 PRO A 38 -7.571 2.305 8.508 1.00 0.38 H new ATOM 0 HD3 PRO A 38 -6.098 2.949 7.811 1.00 0.38 H new ATOM 605 N ASP A 39 -7.970 -1.332 6.632 1.00 0.32 N ATOM 606 CA ASP A 39 -8.684 -2.576 6.326 1.00 0.35 C ATOM 607 C ASP A 39 -9.592 -2.442 5.103 1.00 0.37 C ATOM 608 O ASP A 39 -9.969 -3.447 4.500 1.00 0.40 O ATOM 609 CB ASP A 39 -9.505 -3.061 7.535 1.00 0.39 C ATOM 610 CG ASP A 39 -10.063 -4.455 7.324 1.00 0.45 C ATOM 611 OD1 ASP A 39 -9.359 -5.433 7.655 1.00 0.47 O ATOM 612 OD2 ASP A 39 -11.205 -4.570 6.830 1.00 0.49 O ATOM 0 H ASP A 39 -8.315 -0.824 7.447 1.00 0.32 H new ATOM 0 HA ASP A 39 -7.919 -3.318 6.094 1.00 0.35 H new ATOM 0 HB2 ASP A 39 -8.877 -3.054 8.426 1.00 0.39 H new ATOM 0 HB3 ASP A 39 -10.325 -2.367 7.718 1.00 0.39 H new ATOM 617 N GLN A 40 -9.947 -1.211 4.732 1.00 0.37 N ATOM 618 CA GLN A 40 -10.823 -1.005 3.574 1.00 0.40 C ATOM 619 C GLN A 40 -9.999 -0.567 2.354 1.00 0.37 C ATOM 620 O GLN A 40 -10.538 -0.102 1.350 1.00 0.37 O ATOM 621 CB GLN A 40 -11.914 0.061 3.951 1.00 0.44 C ATOM 622 CG GLN A 40 -12.659 0.766 2.791 1.00 0.91 C ATOM 623 CD GLN A 40 -13.495 -0.198 1.972 1.00 1.46 C ATOM 624 OE1 GLN A 40 -13.020 -0.784 0.998 1.00 1.94 O ATOM 625 NE2 GLN A 40 -14.752 -0.371 2.365 1.00 2.07 N ATOM 0 H GLN A 40 -9.650 -0.357 5.204 1.00 0.37 H new ATOM 0 HA GLN A 40 -11.321 -1.937 3.308 1.00 0.40 H new ATOM 0 HB2 GLN A 40 -12.658 -0.428 4.580 1.00 0.44 H new ATOM 0 HB3 GLN A 40 -11.437 0.829 4.560 1.00 0.44 H new ATOM 0 HG2 GLN A 40 -13.302 1.547 3.197 1.00 0.91 H new ATOM 0 HG3 GLN A 40 -11.934 1.256 2.142 1.00 0.91 H new ATOM 0 HE21 GLN A 40 -15.106 0.134 3.177 1.00 2.07 H new ATOM 0 HE22 GLN A 40 -15.363 -1.009 1.854 1.00 2.07 H new ATOM 634 N GLN A 41 -8.685 -0.751 2.432 1.00 0.35 N ATOM 635 CA GLN A 41 -7.804 -0.346 1.312 1.00 0.32 C ATOM 636 C GLN A 41 -6.887 -1.520 0.905 1.00 0.28 C ATOM 637 O GLN A 41 -6.296 -2.157 1.775 1.00 0.30 O ATOM 638 CB GLN A 41 -7.014 0.954 1.649 1.00 0.40 C ATOM 639 CG GLN A 41 -5.577 0.782 2.320 1.00 0.40 C ATOM 640 CD GLN A 41 -4.446 0.795 1.293 1.00 0.67 C ATOM 641 OE1 GLN A 41 -4.607 0.281 0.188 1.00 1.17 O ATOM 642 NE2 GLN A 41 -3.281 1.388 1.640 1.00 0.82 N ATOM 0 H GLN A 41 -8.205 -1.165 3.231 1.00 0.35 H new ATOM 0 HA GLN A 41 -8.421 -0.103 0.447 1.00 0.32 H new ATOM 0 HB2 GLN A 41 -6.890 1.522 0.727 1.00 0.40 H new ATOM 0 HB3 GLN A 41 -7.628 1.559 2.316 1.00 0.40 H new ATOM 0 HG2 GLN A 41 -5.418 1.584 3.041 1.00 0.40 H new ATOM 0 HG3 GLN A 41 -5.549 -0.156 2.875 1.00 0.40 H new ATOM 0 HE21 GLN A 41 -3.177 1.806 2.565 1.00 0.82 H new ATOM 0 HE22 GLN A 41 -2.506 1.417 0.977 1.00 0.82 H new ATOM 651 N ARG A 42 -6.760 -1.818 -0.405 1.00 0.24 N ATOM 652 CA ARG A 42 -5.965 -2.974 -0.836 1.00 0.22 C ATOM 653 C ARG A 42 -4.835 -2.588 -1.797 1.00 0.20 C ATOM 654 O ARG A 42 -5.051 -2.036 -2.868 1.00 0.21 O ATOM 655 CB ARG A 42 -6.882 -4.089 -1.479 1.00 0.23 C ATOM 656 CG ARG A 42 -6.138 -5.058 -2.470 1.00 0.26 C ATOM 657 CD ARG A 42 -5.376 -6.193 -1.757 1.00 0.53 C ATOM 658 NE ARG A 42 -6.279 -7.079 -1.029 1.00 0.74 N ATOM 659 CZ ARG A 42 -6.345 -7.137 0.298 1.00 1.39 C ATOM 660 NH1 ARG A 42 -5.580 -6.346 1.038 1.00 2.22 N ATOM 661 NH2 ARG A 42 -7.179 -7.982 0.887 1.00 1.56 N ATOM 0 H ARG A 42 -7.188 -1.285 -1.162 1.00 0.24 H new ATOM 0 HA ARG A 42 -5.498 -3.379 0.062 1.00 0.22 H new ATOM 0 HB2 ARG A 42 -7.327 -4.681 -0.679 1.00 0.23 H new ATOM 0 HB3 ARG A 42 -7.701 -3.605 -2.011 1.00 0.23 H new ATOM 0 HG2 ARG A 42 -6.865 -5.493 -3.156 1.00 0.26 H new ATOM 0 HG3 ARG A 42 -5.436 -4.481 -3.073 1.00 0.26 H new ATOM 0 HD2 ARG A 42 -4.814 -6.770 -2.491 1.00 0.53 H new ATOM 0 HD3 ARG A 42 -4.651 -5.765 -1.065 1.00 0.53 H new ATOM 0 HE ARG A 42 -6.894 -7.688 -1.568 1.00 0.74 H new ATOM 0 HH11 ARG A 42 -4.939 -5.691 0.590 1.00 2.22 H new ATOM 0 HH12 ARG A 42 -5.632 -6.392 2.056 1.00 2.22 H new ATOM 0 HH21 ARG A 42 -7.772 -8.590 0.322 1.00 1.56 H new ATOM 0 HH22 ARG A 42 -7.228 -8.024 1.905 1.00 1.56 H new ATOM 675 N LEU A 43 -3.637 -2.946 -1.395 1.00 0.19 N ATOM 676 CA LEU A 43 -2.416 -2.679 -2.199 1.00 0.18 C ATOM 677 C LEU A 43 -2.119 -3.888 -3.089 1.00 0.18 C ATOM 678 O LEU A 43 -1.995 -5.014 -2.604 1.00 0.19 O ATOM 679 CB LEU A 43 -1.159 -2.375 -1.334 1.00 0.19 C ATOM 680 CG LEU A 43 -1.223 -1.116 -0.498 1.00 0.21 C ATOM 681 CD1 LEU A 43 0.173 -0.774 -0.038 1.00 0.26 C ATOM 682 CD2 LEU A 43 -1.827 0.032 -1.286 1.00 0.19 C ATOM 0 H LEU A 43 -3.458 -3.427 -0.514 1.00 0.19 H new ATOM 0 HA LEU A 43 -2.624 -1.788 -2.792 1.00 0.18 H new ATOM 0 HB2 LEU A 43 -0.986 -3.221 -0.669 1.00 0.19 H new ATOM 0 HB3 LEU A 43 -0.295 -2.306 -1.995 1.00 0.19 H new ATOM 0 HG LEU A 43 -1.865 -1.286 0.367 1.00 0.21 H new ATOM 0 HD11 LEU A 43 0.145 0.132 0.567 1.00 0.26 H new ATOM 0 HD12 LEU A 43 0.571 -1.595 0.558 1.00 0.26 H new ATOM 0 HD13 LEU A 43 0.812 -0.612 -0.906 1.00 0.26 H new ATOM 0 HD21 LEU A 43 -1.861 0.924 -0.661 1.00 0.19 H new ATOM 0 HD22 LEU A 43 -1.217 0.229 -2.167 1.00 0.19 H new ATOM 0 HD23 LEU A 43 -2.838 -0.232 -1.597 1.00 0.19 H new ATOM 694 N ILE A 44 -2.060 -3.652 -4.395 1.00 0.19 N ATOM 695 CA ILE A 44 -1.825 -4.725 -5.372 1.00 0.21 C ATOM 696 C ILE A 44 -0.632 -4.483 -6.332 1.00 0.25 C ATOM 697 O ILE A 44 -0.328 -3.343 -6.685 1.00 0.26 O ATOM 698 CB ILE A 44 -3.128 -4.941 -6.200 1.00 0.23 C ATOM 699 CG1 ILE A 44 -2.925 -5.912 -7.379 1.00 0.47 C ATOM 700 CG2 ILE A 44 -3.668 -3.612 -6.708 1.00 0.39 C ATOM 701 CD1 ILE A 44 -3.634 -7.206 -7.129 1.00 0.63 C ATOM 0 H ILE A 44 -2.171 -2.726 -4.809 1.00 0.19 H new ATOM 0 HA ILE A 44 -1.557 -5.611 -4.796 1.00 0.21 H new ATOM 0 HB ILE A 44 -3.855 -5.394 -5.526 1.00 0.23 H new ATOM 0 HG12 ILE A 44 -3.298 -5.459 -8.298 1.00 0.47 H new ATOM 0 HG13 ILE A 44 -1.861 -6.097 -7.524 1.00 0.47 H new ATOM 0 HG21 ILE A 44 -4.577 -3.785 -7.283 1.00 0.39 H new ATOM 0 HG22 ILE A 44 -3.892 -2.963 -5.862 1.00 0.39 H new ATOM 0 HG23 ILE A 44 -2.922 -3.135 -7.343 1.00 0.39 H new ATOM 0 HD11 ILE A 44 -3.477 -7.876 -7.974 1.00 0.63 H new ATOM 0 HD12 ILE A 44 -3.241 -7.667 -6.223 1.00 0.63 H new ATOM 0 HD13 ILE A 44 -4.701 -7.019 -7.008 1.00 0.63 H new ATOM 713 N PHE A 45 0.036 -5.584 -6.741 1.00 0.28 N ATOM 714 CA PHE A 45 1.190 -5.513 -7.718 1.00 0.35 C ATOM 715 C PHE A 45 1.033 -6.632 -8.787 1.00 0.38 C ATOM 716 O PHE A 45 1.028 -7.813 -8.437 1.00 0.38 O ATOM 717 CB PHE A 45 2.630 -5.689 -7.051 1.00 0.40 C ATOM 718 CG PHE A 45 3.745 -5.987 -8.100 1.00 0.57 C ATOM 719 CD1 PHE A 45 4.458 -4.950 -8.735 1.00 0.64 C ATOM 720 CD2 PHE A 45 4.124 -7.304 -8.422 1.00 0.90 C ATOM 721 CE1 PHE A 45 5.493 -5.231 -9.628 1.00 0.76 C ATOM 722 CE2 PHE A 45 5.144 -7.570 -9.310 1.00 1.08 C ATOM 723 CZ PHE A 45 5.678 -6.512 -10.079 1.00 0.96 C ATOM 0 H PHE A 45 -0.186 -6.528 -6.426 1.00 0.28 H new ATOM 0 HA PHE A 45 1.146 -4.512 -8.147 1.00 0.35 H new ATOM 0 HB2 PHE A 45 2.885 -4.782 -6.503 1.00 0.40 H new ATOM 0 HB3 PHE A 45 2.593 -6.501 -6.325 1.00 0.40 H new ATOM 0 HD1 PHE A 45 4.199 -3.922 -8.527 1.00 0.64 H new ATOM 0 HD2 PHE A 45 3.601 -8.129 -7.961 1.00 0.90 H new ATOM 0 HE1 PHE A 45 6.147 -4.440 -9.963 1.00 0.76 H new ATOM 0 HE2 PHE A 45 5.530 -8.573 -9.416 1.00 1.08 H new ATOM 0 HZ PHE A 45 6.216 -6.707 -10.995 1.00 0.96 H new ATOM 733 N ALA A 46 0.911 -6.267 -10.084 1.00 0.43 N ATOM 734 CA ALA A 46 0.772 -7.250 -11.173 1.00 0.47 C ATOM 735 C ALA A 46 -0.214 -8.385 -10.861 1.00 0.43 C ATOM 736 O ALA A 46 0.140 -9.561 -10.955 1.00 0.45 O ATOM 737 CB ALA A 46 2.139 -7.825 -11.567 1.00 0.54 C ATOM 0 H ALA A 46 0.906 -5.297 -10.398 1.00 0.43 H new ATOM 0 HA ALA A 46 0.351 -6.701 -12.015 1.00 0.47 H new ATOM 0 HB1 ALA A 46 2.011 -8.548 -12.372 1.00 0.54 H new ATOM 0 HB2 ALA A 46 2.790 -7.018 -11.904 1.00 0.54 H new ATOM 0 HB3 ALA A 46 2.589 -8.318 -10.705 1.00 0.54 H new ATOM 743 N GLY A 47 -1.444 -8.035 -10.491 1.00 0.39 N ATOM 744 CA GLY A 47 -2.464 -9.064 -10.224 1.00 0.36 C ATOM 745 C GLY A 47 -2.253 -9.885 -8.944 1.00 0.31 C ATOM 746 O GLY A 47 -2.843 -10.959 -8.824 1.00 0.31 O ATOM 0 H GLY A 47 -1.760 -7.073 -10.370 1.00 0.39 H new ATOM 0 HA2 GLY A 47 -3.439 -8.579 -10.168 1.00 0.36 H new ATOM 0 HA3 GLY A 47 -2.497 -9.748 -11.072 1.00 0.36 H new ATOM 750 N LYS A 48 -1.433 -9.427 -7.977 1.00 0.30 N ATOM 751 CA LYS A 48 -1.283 -10.188 -6.706 1.00 0.27 C ATOM 752 C LYS A 48 -1.644 -9.262 -5.540 1.00 0.24 C ATOM 753 O LYS A 48 -1.318 -8.072 -5.559 1.00 0.23 O ATOM 754 CB LYS A 48 0.154 -10.762 -6.529 1.00 0.30 C ATOM 755 CG LYS A 48 0.556 -11.863 -7.553 1.00 0.35 C ATOM 756 CD LYS A 48 2.075 -12.081 -7.599 1.00 0.98 C ATOM 757 CE LYS A 48 2.477 -13.242 -8.526 1.00 1.07 C ATOM 758 NZ LYS A 48 1.418 -14.287 -8.602 1.00 1.14 N ATOM 0 H LYS A 48 -0.882 -8.571 -8.038 1.00 0.30 H new ATOM 0 HA LYS A 48 -1.956 -11.045 -6.730 1.00 0.27 H new ATOM 0 HB2 LYS A 48 0.868 -9.941 -6.602 1.00 0.30 H new ATOM 0 HB3 LYS A 48 0.243 -11.173 -5.523 1.00 0.30 H new ATOM 0 HG2 LYS A 48 0.064 -12.799 -7.290 1.00 0.35 H new ATOM 0 HG3 LYS A 48 0.200 -11.583 -8.544 1.00 0.35 H new ATOM 0 HD2 LYS A 48 2.560 -11.165 -7.938 1.00 0.98 H new ATOM 0 HD3 LYS A 48 2.441 -12.281 -6.592 1.00 0.98 H new ATOM 0 HE2 LYS A 48 2.677 -12.855 -9.525 1.00 1.07 H new ATOM 0 HE3 LYS A 48 3.403 -13.690 -8.166 1.00 1.07 H new ATOM 0 HZ1 LYS A 48 1.815 -15.154 -9.018 1.00 1.14 H new ATOM 0 HZ2 LYS A 48 1.064 -14.493 -7.646 1.00 1.14 H new ATOM 0 HZ3 LYS A 48 0.635 -13.945 -9.195 1.00 1.14 H new ATOM 772 N GLN A 49 -2.297 -9.820 -4.517 1.00 0.23 N ATOM 773 CA GLN A 49 -2.785 -9.033 -3.380 1.00 0.22 C ATOM 774 C GLN A 49 -1.833 -9.063 -2.182 1.00 0.21 C ATOM 775 O GLN A 49 -1.339 -10.112 -1.767 1.00 0.24 O ATOM 776 CB GLN A 49 -4.226 -9.489 -3.010 1.00 0.27 C ATOM 777 CG GLN A 49 -4.536 -9.669 -1.513 1.00 0.84 C ATOM 778 CD GLN A 49 -3.783 -10.829 -0.886 1.00 1.79 C ATOM 779 OE1 GLN A 49 -3.474 -11.817 -1.552 1.00 2.45 O ATOM 780 NE2 GLN A 49 -3.485 -10.714 0.403 1.00 2.51 N ATOM 0 H GLN A 49 -2.501 -10.817 -4.453 1.00 0.23 H new ATOM 0 HA GLN A 49 -2.820 -7.986 -3.682 1.00 0.22 H new ATOM 0 HB2 GLN A 49 -4.927 -8.760 -3.417 1.00 0.27 H new ATOM 0 HB3 GLN A 49 -4.422 -10.436 -3.513 1.00 0.27 H new ATOM 0 HG2 GLN A 49 -4.284 -8.751 -0.983 1.00 0.84 H new ATOM 0 HG3 GLN A 49 -5.607 -9.827 -1.386 1.00 0.84 H new ATOM 0 HE21 GLN A 49 -3.760 -9.877 0.917 1.00 2.51 H new ATOM 0 HE22 GLN A 49 -2.981 -11.462 0.879 1.00 2.51 H new ATOM 789 N LEU A 50 -1.570 -7.864 -1.667 1.00 0.18 N ATOM 790 CA LEU A 50 -0.661 -7.635 -0.544 1.00 0.18 C ATOM 791 C LEU A 50 -1.377 -7.829 0.793 1.00 0.18 C ATOM 792 O LEU A 50 -2.478 -7.317 0.993 1.00 0.18 O ATOM 793 CB LEU A 50 -0.085 -6.195 -0.636 1.00 0.20 C ATOM 794 CG LEU A 50 0.655 -5.871 -1.966 1.00 0.29 C ATOM 795 CD1 LEU A 50 1.438 -4.573 -1.870 1.00 0.84 C ATOM 796 CD2 LEU A 50 1.592 -7.009 -2.349 1.00 0.77 C ATOM 0 H LEU A 50 -1.991 -7.007 -2.025 1.00 0.18 H new ATOM 0 HA LEU A 50 0.150 -8.361 -0.598 1.00 0.18 H new ATOM 0 HB2 LEU A 50 -0.901 -5.484 -0.508 1.00 0.20 H new ATOM 0 HB3 LEU A 50 0.605 -6.041 0.194 1.00 0.20 H new ATOM 0 HG LEU A 50 -0.105 -5.754 -2.739 1.00 0.29 H new ATOM 0 HD11 LEU A 50 1.941 -4.381 -2.818 1.00 0.84 H new ATOM 0 HD12 LEU A 50 0.756 -3.752 -1.648 1.00 0.84 H new ATOM 0 HD13 LEU A 50 2.180 -4.653 -1.075 1.00 0.84 H new ATOM 0 HD21 LEU A 50 2.100 -6.764 -3.282 1.00 0.77 H new ATOM 0 HD22 LEU A 50 2.330 -7.153 -1.560 1.00 0.77 H new ATOM 0 HD23 LEU A 50 1.017 -7.926 -2.480 1.00 0.77 H new ATOM 808 N GLU A 51 -0.748 -8.571 1.707 1.00 0.17 N ATOM 809 CA GLU A 51 -1.331 -8.828 3.006 1.00 0.17 C ATOM 810 C GLU A 51 -0.650 -7.909 4.004 1.00 0.17 C ATOM 811 O GLU A 51 0.568 -7.934 4.151 1.00 0.18 O ATOM 812 CB GLU A 51 -1.071 -10.294 3.451 1.00 0.17 C ATOM 813 CG GLU A 51 -2.171 -10.960 4.296 1.00 0.67 C ATOM 814 CD GLU A 51 -2.641 -10.078 5.437 1.00 1.19 C ATOM 815 OE1 GLU A 51 -2.055 -10.169 6.537 1.00 1.45 O ATOM 816 OE2 GLU A 51 -3.592 -9.296 5.230 1.00 1.49 O ATOM 0 H GLU A 51 0.166 -9.001 1.562 1.00 0.17 H new ATOM 0 HA GLU A 51 -2.407 -8.659 2.957 1.00 0.17 H new ATOM 0 HB2 GLU A 51 -0.914 -10.899 2.558 1.00 0.17 H new ATOM 0 HB3 GLU A 51 -0.142 -10.318 4.020 1.00 0.17 H new ATOM 0 HG2 GLU A 51 -3.019 -11.203 3.656 1.00 0.67 H new ATOM 0 HG3 GLU A 51 -1.796 -11.901 4.699 1.00 0.67 H new ATOM 823 N ASP A 52 -1.448 -7.096 4.663 1.00 0.19 N ATOM 824 CA ASP A 52 -0.960 -6.147 5.655 1.00 0.23 C ATOM 825 C ASP A 52 0.135 -6.753 6.533 1.00 0.24 C ATOM 826 O ASP A 52 0.973 -6.031 7.067 1.00 0.30 O ATOM 827 CB ASP A 52 -2.123 -5.661 6.534 1.00 0.26 C ATOM 828 CG ASP A 52 -3.167 -4.903 5.738 1.00 0.29 C ATOM 829 OD1 ASP A 52 -2.984 -3.686 5.523 1.00 0.84 O ATOM 830 OD2 ASP A 52 -4.170 -5.527 5.329 1.00 0.72 O ATOM 0 H ASP A 52 -2.459 -7.071 4.529 1.00 0.19 H new ATOM 0 HA ASP A 52 -0.527 -5.303 5.118 1.00 0.23 H new ATOM 0 HB2 ASP A 52 -2.591 -6.517 7.020 1.00 0.26 H new ATOM 0 HB3 ASP A 52 -1.735 -5.019 7.324 1.00 0.26 H new ATOM 835 N GLY A 53 0.119 -8.079 6.686 1.00 0.20 N ATOM 836 CA GLY A 53 1.115 -8.740 7.536 1.00 0.22 C ATOM 837 C GLY A 53 2.485 -9.108 6.883 1.00 0.25 C ATOM 838 O GLY A 53 3.379 -9.506 7.631 1.00 0.28 O ATOM 0 H GLY A 53 -0.555 -8.705 6.245 1.00 0.20 H new ATOM 0 HA2 GLY A 53 1.312 -8.092 8.390 1.00 0.22 H new ATOM 0 HA3 GLY A 53 0.671 -9.656 7.926 1.00 0.22 H new ATOM 842 N ARG A 54 2.722 -9.004 5.533 1.00 0.27 N ATOM 843 CA ARG A 54 4.065 -9.389 5.016 1.00 0.32 C ATOM 844 C ARG A 54 4.961 -8.136 4.954 1.00 0.32 C ATOM 845 O ARG A 54 4.438 -7.031 4.803 1.00 0.31 O ATOM 846 CB ARG A 54 3.938 -10.041 3.563 1.00 0.37 C ATOM 847 CG ARG A 54 5.005 -9.498 2.467 1.00 0.96 C ATOM 848 CD ARG A 54 4.720 -8.032 1.971 1.00 1.95 C ATOM 849 NE ARG A 54 3.410 -7.555 2.403 1.00 2.48 N ATOM 850 CZ ARG A 54 2.637 -6.763 1.668 1.00 3.39 C ATOM 851 NH1 ARG A 54 3.013 -6.414 0.445 1.00 3.81 N ATOM 852 NH2 ARG A 54 1.488 -6.318 2.156 1.00 3.98 N ATOM 0 H ARG A 54 2.051 -8.681 4.836 1.00 0.27 H new ATOM 0 HA ARG A 54 4.509 -10.126 5.685 1.00 0.32 H new ATOM 0 HB2 ARG A 54 4.054 -11.121 3.655 1.00 0.37 H new ATOM 0 HB3 ARG A 54 2.931 -9.859 3.187 1.00 0.37 H new ATOM 0 HG2 ARG A 54 6.005 -9.537 2.898 1.00 0.96 H new ATOM 0 HG3 ARG A 54 5.002 -10.169 1.608 1.00 0.96 H new ATOM 0 HD2 ARG A 54 5.493 -7.364 2.351 1.00 1.95 H new ATOM 0 HD3 ARG A 54 4.777 -8.000 0.883 1.00 1.95 H new ATOM 0 HE ARG A 54 3.069 -7.846 3.319 1.00 2.48 H new ATOM 0 HH11 ARG A 54 3.897 -6.754 0.067 1.00 3.81 H new ATOM 0 HH12 ARG A 54 2.418 -5.806 -0.117 1.00 3.81 H new ATOM 0 HH21 ARG A 54 1.196 -6.584 3.097 1.00 3.98 H new ATOM 0 HH22 ARG A 54 0.895 -5.710 1.591 1.00 3.98 H new ATOM 866 N THR A 55 6.300 -8.271 5.079 1.00 0.35 N ATOM 867 CA THR A 55 7.147 -7.060 4.948 1.00 0.38 C ATOM 868 C THR A 55 7.600 -6.922 3.483 1.00 0.42 C ATOM 869 O THR A 55 7.731 -7.917 2.771 1.00 0.44 O ATOM 870 CB THR A 55 8.366 -7.015 5.919 1.00 0.44 C ATOM 871 OG1 THR A 55 9.139 -8.208 5.815 1.00 0.81 O ATOM 872 CG2 THR A 55 7.890 -6.856 7.354 1.00 0.65 C ATOM 0 H THR A 55 6.795 -9.145 5.259 1.00 0.35 H new ATOM 0 HA THR A 55 6.531 -6.210 5.241 1.00 0.38 H new ATOM 0 HB THR A 55 8.985 -6.162 5.641 1.00 0.44 H new ATOM 0 HG1 THR A 55 9.900 -8.159 6.431 1.00 0.81 H new ATOM 0 HG21 THR A 55 8.751 -6.826 8.022 1.00 0.65 H new ATOM 0 HG22 THR A 55 7.325 -5.929 7.449 1.00 0.65 H new ATOM 0 HG23 THR A 55 7.253 -7.699 7.621 1.00 0.65 H new ATOM 880 N LEU A 56 7.842 -5.684 3.050 1.00 0.43 N ATOM 881 CA LEU A 56 8.186 -5.438 1.641 1.00 0.49 C ATOM 882 C LEU A 56 9.533 -6.064 1.234 1.00 0.53 C ATOM 883 O LEU A 56 9.775 -6.252 0.042 1.00 0.59 O ATOM 884 CB LEU A 56 8.089 -3.931 1.253 1.00 0.51 C ATOM 885 CG LEU A 56 8.139 -2.903 2.414 1.00 0.51 C ATOM 886 CD1 LEU A 56 9.579 -2.707 2.919 1.00 0.50 C ATOM 887 CD2 LEU A 56 7.558 -1.554 1.956 1.00 0.79 C ATOM 0 H LEU A 56 7.809 -4.850 3.636 1.00 0.43 H new ATOM 0 HA LEU A 56 7.425 -5.955 1.056 1.00 0.49 H new ATOM 0 HB2 LEU A 56 8.903 -3.705 0.564 1.00 0.51 H new ATOM 0 HB3 LEU A 56 7.158 -3.781 0.706 1.00 0.51 H new ATOM 0 HG LEU A 56 7.537 -3.294 3.235 1.00 0.51 H new ATOM 0 HD11 LEU A 56 9.584 -1.981 3.732 1.00 0.50 H new ATOM 0 HD12 LEU A 56 9.971 -3.658 3.279 1.00 0.50 H new ATOM 0 HD13 LEU A 56 10.204 -2.342 2.104 1.00 0.50 H new ATOM 0 HD21 LEU A 56 7.599 -0.842 2.780 1.00 0.79 H new ATOM 0 HD22 LEU A 56 8.141 -1.173 1.117 1.00 0.79 H new ATOM 0 HD23 LEU A 56 6.522 -1.691 1.646 1.00 0.79 H new ATOM 899 N SER A 57 10.416 -6.385 2.193 1.00 0.54 N ATOM 900 CA SER A 57 11.717 -6.978 1.834 1.00 0.63 C ATOM 901 C SER A 57 11.537 -8.388 1.285 1.00 0.73 C ATOM 902 O SER A 57 12.116 -8.749 0.252 1.00 0.79 O ATOM 903 CB SER A 57 12.756 -6.961 2.977 1.00 0.71 C ATOM 904 OG SER A 57 13.938 -6.311 2.545 1.00 1.71 O ATOM 0 H SER A 57 10.263 -6.250 3.192 1.00 0.54 H new ATOM 0 HA SER A 57 12.128 -6.337 1.054 1.00 0.63 H new ATOM 0 HB2 SER A 57 12.345 -6.447 3.846 1.00 0.71 H new ATOM 0 HB3 SER A 57 12.984 -7.981 3.288 1.00 0.71 H new ATOM 0 HG SER A 57 14.421 -5.960 3.322 1.00 1.71 H new ATOM 910 N ASP A 58 10.687 -9.173 1.948 1.00 0.77 N ATOM 911 CA ASP A 58 10.478 -10.551 1.532 1.00 0.87 C ATOM 912 C ASP A 58 9.877 -10.539 0.145 1.00 0.87 C ATOM 913 O ASP A 58 9.992 -11.504 -0.611 1.00 0.92 O ATOM 914 CB ASP A 58 9.542 -11.317 2.513 1.00 0.93 C ATOM 915 CG ASP A 58 10.314 -12.269 3.405 1.00 1.06 C ATOM 916 OD1 ASP A 58 10.767 -11.836 4.485 1.00 1.11 O ATOM 917 OD2 ASP A 58 10.467 -13.449 3.023 1.00 1.15 O ATOM 0 H ASP A 58 10.143 -8.881 2.760 1.00 0.77 H new ATOM 0 HA ASP A 58 11.436 -11.070 1.534 1.00 0.87 H new ATOM 0 HB2 ASP A 58 8.999 -10.601 3.130 1.00 0.93 H new ATOM 0 HB3 ASP A 58 8.799 -11.875 1.944 1.00 0.93 H new ATOM 922 N TYR A 59 9.232 -9.429 -0.179 1.00 0.84 N ATOM 923 CA TYR A 59 8.636 -9.263 -1.482 1.00 0.84 C ATOM 924 C TYR A 59 9.615 -8.542 -2.406 1.00 0.82 C ATOM 925 O TYR A 59 9.168 -7.744 -3.199 1.00 0.80 O ATOM 926 CB TYR A 59 7.347 -8.413 -1.350 1.00 0.88 C ATOM 927 CG TYR A 59 6.281 -8.761 -2.331 1.00 0.80 C ATOM 928 CD1 TYR A 59 6.537 -8.967 -3.684 1.00 1.19 C ATOM 929 CD2 TYR A 59 4.996 -8.856 -1.885 1.00 0.66 C ATOM 930 CE1 TYR A 59 5.507 -9.260 -4.555 1.00 1.47 C ATOM 931 CE2 TYR A 59 3.977 -9.145 -2.727 1.00 0.95 C ATOM 932 CZ TYR A 59 4.221 -9.346 -4.069 1.00 1.36 C ATOM 933 OH TYR A 59 3.181 -9.637 -4.922 1.00 1.77 O ATOM 0 H TYR A 59 9.111 -8.633 0.447 1.00 0.84 H new ATOM 0 HA TYR A 59 8.395 -10.242 -1.897 1.00 0.84 H new ATOM 0 HB2 TYR A 59 6.950 -8.531 -0.342 1.00 0.88 H new ATOM 0 HB3 TYR A 59 7.606 -7.361 -1.470 1.00 0.88 H new ATOM 0 HD1 TYR A 59 7.549 -8.897 -4.055 1.00 1.19 H new ATOM 0 HD2 TYR A 59 4.787 -8.697 -0.837 1.00 0.66 H new ATOM 0 HE1 TYR A 59 5.707 -9.420 -5.604 1.00 1.47 H new ATOM 0 HE2 TYR A 59 2.969 -9.218 -2.346 1.00 0.95 H new ATOM 0 HH TYR A 59 2.341 -9.661 -4.418 1.00 1.77 H new ATOM 943 N ASN A 60 10.898 -8.985 -2.406 1.00 0.84 N ATOM 944 CA ASN A 60 12.022 -8.396 -3.240 1.00 0.84 C ATOM 945 C ASN A 60 11.745 -7.058 -3.984 1.00 0.76 C ATOM 946 O ASN A 60 12.549 -6.657 -4.823 1.00 0.80 O ATOM 947 CB ASN A 60 12.407 -9.396 -4.365 1.00 0.95 C ATOM 948 CG ASN A 60 11.171 -9.847 -5.192 1.00 1.01 C ATOM 949 OD1 ASN A 60 11.027 -11.044 -5.437 1.00 1.12 O ATOM 950 ND2 ASN A 60 10.267 -8.923 -5.659 1.00 0.96 N ATOM 0 H ASN A 60 11.203 -9.768 -1.828 1.00 0.84 H new ATOM 0 HA ASN A 60 12.790 -8.200 -2.492 1.00 0.84 H new ATOM 0 HB2 ASN A 60 13.137 -8.932 -5.028 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.887 -10.270 -3.924 1.00 0.95 H new ATOM 0 HD21 ASN A 60 9.467 -9.227 -6.214 1.00 0.96 H new ATOM 0 HD22 ASN A 60 10.396 -7.933 -5.450 1.00 0.96 H new ATOM 957 N ILE A 61 10.639 -6.396 -3.714 1.00 0.68 N ATOM 958 CA ILE A 61 10.313 -5.150 -4.400 1.00 0.63 C ATOM 959 C ILE A 61 11.282 -4.052 -3.964 1.00 0.50 C ATOM 960 O ILE A 61 11.471 -3.833 -2.768 1.00 0.42 O ATOM 961 CB ILE A 61 8.837 -4.700 -4.142 1.00 0.59 C ATOM 962 CG1 ILE A 61 7.811 -5.720 -4.713 1.00 0.84 C ATOM 963 CG2 ILE A 61 8.588 -3.359 -4.782 1.00 0.61 C ATOM 964 CD1 ILE A 61 6.372 -5.216 -4.762 1.00 0.92 C ATOM 0 H ILE A 61 9.947 -6.694 -3.026 1.00 0.68 H new ATOM 0 HA ILE A 61 10.413 -5.327 -5.471 1.00 0.63 H new ATOM 0 HB ILE A 61 8.703 -4.640 -3.062 1.00 0.59 H new ATOM 0 HG12 ILE A 61 8.119 -5.999 -5.721 1.00 0.84 H new ATOM 0 HG13 ILE A 61 7.844 -6.626 -4.108 1.00 0.84 H new ATOM 0 HG21 ILE A 61 7.558 -3.053 -4.597 1.00 0.61 H new ATOM 0 HG22 ILE A 61 9.267 -2.621 -4.356 1.00 0.61 H new ATOM 0 HG23 ILE A 61 8.758 -3.431 -5.856 1.00 0.61 H new ATOM 0 HD11 ILE A 61 5.728 -5.993 -5.174 1.00 0.92 H new ATOM 0 HD12 ILE A 61 6.040 -4.965 -3.755 1.00 0.92 H new ATOM 0 HD13 ILE A 61 6.319 -4.329 -5.393 1.00 0.92 H new ATOM 976 N GLN A 62 11.898 -3.358 -4.925 1.00 0.51 N ATOM 977 CA GLN A 62 12.865 -2.297 -4.566 1.00 0.44 C ATOM 978 C GLN A 62 12.207 -0.911 -4.565 1.00 0.31 C ATOM 979 O GLN A 62 11.055 -0.740 -4.955 1.00 0.29 O ATOM 980 CB GLN A 62 14.110 -2.274 -5.537 1.00 0.56 C ATOM 981 CG GLN A 62 15.224 -3.309 -5.230 1.00 1.16 C ATOM 982 CD GLN A 62 14.691 -4.719 -5.086 1.00 1.77 C ATOM 983 OE1 GLN A 62 14.566 -5.452 -6.067 1.00 2.24 O ATOM 984 NE2 GLN A 62 14.386 -5.108 -3.852 1.00 2.50 N ATOM 0 H GLN A 62 11.758 -3.498 -5.926 1.00 0.51 H new ATOM 0 HA GLN A 62 13.210 -2.533 -3.559 1.00 0.44 H new ATOM 0 HB2 GLN A 62 13.756 -2.440 -6.555 1.00 0.56 H new ATOM 0 HB3 GLN A 62 14.549 -1.277 -5.511 1.00 0.56 H new ATOM 0 HG2 GLN A 62 15.966 -3.286 -6.029 1.00 1.16 H new ATOM 0 HG3 GLN A 62 15.736 -3.023 -4.311 1.00 1.16 H new ATOM 0 HE21 GLN A 62 14.507 -4.464 -3.070 1.00 2.50 H new ATOM 0 HE22 GLN A 62 14.031 -6.050 -3.687 1.00 2.50 H new ATOM 993 N LYS A 63 12.991 0.061 -4.113 1.00 0.30 N ATOM 994 CA LYS A 63 12.575 1.470 -4.017 1.00 0.24 C ATOM 995 C LYS A 63 11.913 2.031 -5.284 1.00 0.21 C ATOM 996 O LYS A 63 12.323 1.736 -6.407 1.00 0.24 O ATOM 997 CB LYS A 63 13.773 2.366 -3.633 1.00 0.34 C ATOM 998 CG LYS A 63 15.130 1.698 -3.795 1.00 1.31 C ATOM 999 CD LYS A 63 15.506 1.540 -5.259 1.00 1.67 C ATOM 1000 CE LYS A 63 16.882 0.911 -5.416 1.00 2.63 C ATOM 1001 NZ LYS A 63 17.938 1.707 -4.728 1.00 2.96 N ATOM 0 H LYS A 63 13.947 -0.101 -3.797 1.00 0.30 H new ATOM 0 HA LYS A 63 11.813 1.484 -3.238 1.00 0.24 H new ATOM 0 HB2 LYS A 63 13.749 3.267 -4.246 1.00 0.34 H new ATOM 0 HB3 LYS A 63 13.658 2.682 -2.596 1.00 0.34 H new ATOM 0 HG2 LYS A 63 15.890 2.290 -3.286 1.00 1.31 H new ATOM 0 HG3 LYS A 63 15.114 0.719 -3.316 1.00 1.31 H new ATOM 0 HD2 LYS A 63 14.763 0.922 -5.762 1.00 1.67 H new ATOM 0 HD3 LYS A 63 15.493 2.515 -5.747 1.00 1.67 H new ATOM 0 HE2 LYS A 63 16.867 -0.101 -5.010 1.00 2.63 H new ATOM 0 HE3 LYS A 63 17.124 0.826 -6.475 1.00 2.63 H new ATOM 0 HZ1 LYS A 63 18.874 1.413 -5.073 1.00 2.96 H new ATOM 0 HZ2 LYS A 63 17.796 2.718 -4.928 1.00 2.96 H new ATOM 0 HZ3 LYS A 63 17.881 1.546 -3.702 1.00 2.96 H new ATOM 1015 N GLU A 64 10.863 2.836 -5.052 1.00 0.19 N ATOM 1016 CA GLU A 64 10.123 3.544 -6.125 1.00 0.21 C ATOM 1017 C GLU A 64 9.101 2.667 -6.871 1.00 0.24 C ATOM 1018 O GLU A 64 8.909 2.837 -8.076 1.00 0.31 O ATOM 1019 CB GLU A 64 11.106 4.206 -7.143 1.00 0.25 C ATOM 1020 CG GLU A 64 10.456 5.253 -8.068 1.00 0.30 C ATOM 1021 CD GLU A 64 9.628 6.269 -7.303 1.00 1.40 C ATOM 1022 OE1 GLU A 64 8.422 6.017 -7.098 1.00 2.25 O ATOM 1023 OE2 GLU A 64 10.185 7.315 -6.911 1.00 1.59 O ATOM 0 H GLU A 64 10.498 3.018 -4.117 1.00 0.19 H new ATOM 0 HA GLU A 64 9.548 4.316 -5.614 1.00 0.21 H new ATOM 0 HB2 GLU A 64 11.917 4.681 -6.590 1.00 0.25 H new ATOM 0 HB3 GLU A 64 11.554 3.425 -7.757 1.00 0.25 H new ATOM 0 HG2 GLU A 64 11.234 5.771 -8.628 1.00 0.30 H new ATOM 0 HG3 GLU A 64 9.822 4.747 -8.796 1.00 0.30 H new ATOM 1030 N SER A 65 8.445 1.729 -6.183 1.00 0.24 N ATOM 1031 CA SER A 65 7.436 0.881 -6.851 1.00 0.28 C ATOM 1032 C SER A 65 6.051 1.554 -6.803 1.00 0.20 C ATOM 1033 O SER A 65 5.743 2.279 -5.836 1.00 0.17 O ATOM 1034 CB SER A 65 7.384 -0.485 -6.139 1.00 0.41 C ATOM 1035 OG SER A 65 8.529 -0.646 -5.324 1.00 1.30 O ATOM 0 H SER A 65 8.583 1.535 -5.191 1.00 0.24 H new ATOM 0 HA SER A 65 7.712 0.743 -7.896 1.00 0.28 H new ATOM 0 HB2 SER A 65 6.482 -0.554 -5.532 1.00 0.41 H new ATOM 0 HB3 SER A 65 7.335 -1.287 -6.875 1.00 0.41 H new ATOM 0 HG SER A 65 9.335 -0.587 -5.878 1.00 1.30 H new ATOM 1041 N THR A 66 5.211 1.358 -7.840 1.00 0.23 N ATOM 1042 CA THR A 66 3.861 1.942 -7.805 1.00 0.19 C ATOM 1043 C THR A 66 2.781 0.878 -7.614 1.00 0.18 C ATOM 1044 O THR A 66 2.651 -0.044 -8.419 1.00 0.23 O ATOM 1045 CB THR A 66 3.547 2.786 -9.067 1.00 0.25 C ATOM 1046 OG1 THR A 66 4.270 4.019 -9.015 1.00 0.25 O ATOM 1047 CG2 THR A 66 2.058 3.090 -9.154 1.00 0.33 C ATOM 0 H THR A 66 5.433 0.822 -8.679 1.00 0.23 H new ATOM 0 HA THR A 66 3.851 2.607 -6.941 1.00 0.19 H new ATOM 0 HB THR A 66 3.846 2.213 -9.945 1.00 0.25 H new ATOM 0 HG1 THR A 66 4.071 4.549 -9.815 1.00 0.25 H new ATOM 0 HG21 THR A 66 1.859 3.683 -10.047 1.00 0.33 H new ATOM 0 HG22 THR A 66 1.498 2.156 -9.207 1.00 0.33 H new ATOM 0 HG23 THR A 66 1.749 3.649 -8.271 1.00 0.33 H new ATOM 1055 N LEU A 67 2.008 1.022 -6.536 1.00 0.17 N ATOM 1056 CA LEU A 67 0.920 0.079 -6.210 1.00 0.20 C ATOM 1057 C LEU A 67 -0.482 0.698 -6.426 1.00 0.20 C ATOM 1058 O LEU A 67 -0.654 1.914 -6.327 1.00 0.19 O ATOM 1059 CB LEU A 67 1.114 -0.355 -4.734 1.00 0.22 C ATOM 1060 CG LEU A 67 2.355 -1.223 -4.555 1.00 0.24 C ATOM 1061 CD1 LEU A 67 3.042 -0.961 -3.224 1.00 0.30 C ATOM 1062 CD2 LEU A 67 2.016 -2.703 -4.686 1.00 0.31 C ATOM 0 H LEU A 67 2.111 1.785 -5.867 1.00 0.17 H new ATOM 0 HA LEU A 67 0.969 -0.780 -6.879 1.00 0.20 H new ATOM 0 HB2 LEU A 67 1.196 0.530 -4.103 1.00 0.22 H new ATOM 0 HB3 LEU A 67 0.235 -0.905 -4.399 1.00 0.22 H new ATOM 0 HG LEU A 67 3.048 -0.951 -5.351 1.00 0.24 H new ATOM 0 HD11 LEU A 67 3.921 -1.599 -3.136 1.00 0.30 H new ATOM 0 HD12 LEU A 67 3.346 0.084 -3.171 1.00 0.30 H new ATOM 0 HD13 LEU A 67 2.352 -1.180 -2.409 1.00 0.30 H new ATOM 0 HD21 LEU A 67 2.921 -3.297 -4.554 1.00 0.31 H new ATOM 0 HD22 LEU A 67 1.287 -2.978 -3.924 1.00 0.31 H new ATOM 0 HD23 LEU A 67 1.598 -2.894 -5.674 1.00 0.31 H new ATOM 1074 N HIS A 68 -1.474 -0.159 -6.722 1.00 0.21 N ATOM 1075 CA HIS A 68 -2.871 0.293 -6.940 1.00 0.21 C ATOM 1076 C HIS A 68 -3.684 0.000 -5.664 1.00 0.20 C ATOM 1077 O HIS A 68 -3.754 -1.153 -5.235 1.00 0.20 O ATOM 1078 CB HIS A 68 -3.544 -0.392 -8.191 1.00 0.22 C ATOM 1079 CG HIS A 68 -4.050 0.606 -9.187 1.00 0.24 C ATOM 1080 ND1 HIS A 68 -3.552 0.708 -10.468 1.00 0.86 N ATOM 1081 CD2 HIS A 68 -5.018 1.548 -9.085 1.00 0.92 C ATOM 1082 CE1 HIS A 68 -4.190 1.670 -11.111 1.00 0.62 C ATOM 1083 NE2 HIS A 68 -5.085 2.195 -10.294 1.00 0.56 N ATOM 0 H HIS A 68 -1.342 -1.166 -6.817 1.00 0.21 H new ATOM 0 HA HIS A 68 -2.856 1.363 -7.149 1.00 0.21 H new ATOM 0 HB2 HIS A 68 -2.821 -1.049 -8.675 1.00 0.22 H new ATOM 0 HB3 HIS A 68 -4.371 -1.019 -7.857 1.00 0.22 H new ATOM 0 HD2 HIS A 68 -5.624 1.752 -8.215 1.00 0.92 H new ATOM 0 HE1 HIS A 68 -4.010 1.975 -12.131 1.00 0.62 H new ATOM 0 HE2 HIS A 68 -5.722 2.957 -10.524 1.00 0.56 H new ATOM 1092 N SER A 69 -4.260 1.025 -5.025 1.00 0.21 N ATOM 1093 CA SER A 69 -5.061 0.784 -3.791 1.00 0.21 C ATOM 1094 C SER A 69 -6.499 0.488 -4.187 1.00 0.22 C ATOM 1095 O SER A 69 -7.119 1.283 -4.893 1.00 0.24 O ATOM 1096 CB SER A 69 -5.037 1.995 -2.823 1.00 0.23 C ATOM 1097 OG SER A 69 -5.644 1.652 -1.591 1.00 0.26 O ATOM 0 H SER A 69 -4.199 2.000 -5.318 1.00 0.21 H new ATOM 0 HA SER A 69 -4.617 -0.062 -3.266 1.00 0.21 H new ATOM 0 HB2 SER A 69 -4.008 2.313 -2.653 1.00 0.23 H new ATOM 0 HB3 SER A 69 -5.561 2.838 -3.272 1.00 0.23 H new ATOM 0 HG SER A 69 -5.004 1.157 -1.038 1.00 0.26 H new ATOM 1103 N VAL A 70 -7.044 -0.651 -3.741 1.00 0.23 N ATOM 1104 CA VAL A 70 -8.428 -0.993 -4.139 1.00 0.27 C ATOM 1105 C VAL A 70 -9.319 -1.292 -2.937 1.00 0.29 C ATOM 1106 O VAL A 70 -8.847 -1.661 -1.865 1.00 0.27 O ATOM 1107 CB VAL A 70 -8.510 -2.182 -5.157 1.00 0.32 C ATOM 1108 CG1 VAL A 70 -7.500 -2.022 -6.277 1.00 0.89 C ATOM 1109 CG2 VAL A 70 -8.310 -3.529 -4.482 1.00 0.99 C ATOM 0 H VAL A 70 -6.581 -1.327 -3.133 1.00 0.23 H new ATOM 0 HA VAL A 70 -8.797 -0.099 -4.642 1.00 0.27 H new ATOM 0 HB VAL A 70 -9.515 -2.156 -5.577 1.00 0.32 H new ATOM 0 HG11 VAL A 70 -7.583 -2.863 -6.965 1.00 0.89 H new ATOM 0 HG12 VAL A 70 -7.696 -1.094 -6.813 1.00 0.89 H new ATOM 0 HG13 VAL A 70 -6.494 -1.994 -5.858 1.00 0.89 H new ATOM 0 HG21 VAL A 70 -8.375 -4.322 -5.227 1.00 0.99 H new ATOM 0 HG22 VAL A 70 -7.329 -3.556 -4.008 1.00 0.99 H new ATOM 0 HG23 VAL A 70 -9.082 -3.676 -3.727 1.00 0.99 H new ATOM 1119 N LEU A 71 -10.619 -1.127 -3.145 1.00 0.36 N ATOM 1120 CA LEU A 71 -11.607 -1.356 -2.059 1.00 0.41 C ATOM 1121 C LEU A 71 -12.112 -2.797 -2.058 1.00 0.48 C ATOM 1122 O LEU A 71 -12.210 -3.440 -3.103 1.00 0.52 O ATOM 1123 CB LEU A 71 -12.818 -0.382 -2.139 1.00 0.49 C ATOM 1124 CG LEU A 71 -12.588 0.966 -1.463 1.00 0.55 C ATOM 1125 CD1 LEU A 71 -11.603 1.798 -2.255 1.00 0.91 C ATOM 1126 CD2 LEU A 71 -13.904 1.700 -1.322 1.00 0.86 C ATOM 0 H LEU A 71 -11.025 -0.840 -4.036 1.00 0.36 H new ATOM 0 HA LEU A 71 -11.077 -1.161 -1.127 1.00 0.41 H new ATOM 0 HB2 LEU A 71 -13.063 -0.212 -3.187 1.00 0.49 H new ATOM 0 HB3 LEU A 71 -13.684 -0.861 -1.683 1.00 0.49 H new ATOM 0 HG LEU A 71 -12.169 0.794 -0.472 1.00 0.55 H new ATOM 0 HD11 LEU A 71 -11.452 2.756 -1.757 1.00 0.91 H new ATOM 0 HD12 LEU A 71 -10.652 1.270 -2.322 1.00 0.91 H new ATOM 0 HD13 LEU A 71 -11.994 1.969 -3.258 1.00 0.91 H new ATOM 0 HD21 LEU A 71 -13.734 2.662 -0.839 1.00 0.86 H new ATOM 0 HD22 LEU A 71 -14.338 1.861 -2.309 1.00 0.86 H new ATOM 0 HD23 LEU A 71 -14.589 1.106 -0.717 1.00 0.86 H new