USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1035 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 TYR OH : rot -11:sc= 1.25 USER MOD Set 1.2: A 102 THR OG1 : rot 40:sc= 2.21 USER MOD Set 2.1: A 80 CYS SG : rot 91:sc= -1.15! USER MOD Set 2.2: A 82 SER OG : rot -168:sc= 1.47 USER MOD Set 2.3: A 93 HIS : no HD1:sc= -0.0489 K(o=1.4,f=0.45) USER MOD Set 2.4: A 95 GLN : amide:sc= 1.09 K(o=1.4,f=-5.3!) USER MOD Set 3.1: A 73 THR OG1 : rot -34:sc= 1.16 USER MOD Set 3.2: A 79 ASN : amide:sc= 0.984 K(o=2.1,f=-3.2!) USER MOD Set 4.1: A 12 ASN : amide:sc= 0.372 K(o=0.72,f=-0.0099) USER MOD Set 4.2: A 14 GLN : amide:sc= 0.345 K(o=0.72,f=-0.28) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -175:sc= 0.587 (180deg=0) USER MOD Set 5.2: A 39 THR OG1 : rot 150:sc= 0.522 USER MOD Set 6.1: A 1 VAL N :NH3+ -114:sc= 0 (180deg=-0.0764) USER MOD Set 6.2: A 5 CYS SG : rot 64:sc= 1.74 USER MOD Set 6.3: A 44 GLN :FLIP amide:sc= 0.64 F(o=1.1,f=2.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -49:sc= 1.16 USER MOD Single : A 13 SER OG : rot 36:sc= 0.95 USER MOD Single : A 15 ASN : amide:sc= 0.476 K(o=0.48,f=-1.4) USER MOD Single : A 20 MET CE :methyl 160:sc= -0.112 (180deg=-1.27) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 69:sc= -0.206 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 1.17 K(o=1.2,f=-0.41) USER MOD Single : A 36 THR OG1 : rot -160:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 144:sc= 0.961 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -45:sc= 0.725 USER MOD Single : A 56 THR OG1 : rot -0:sc= 1.15 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0.36 (180deg=0.356) USER MOD Single : A 59 ASN : amide:sc=-0.00475 X(o=-0.0047,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 25:sc= 0.684 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -72:sc= 0.752 USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0.728 (180deg=0.71) USER MOD Single : A 85 SER OG : rot 108:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -137:sc= 0.714 (180deg=0.00532) USER MOD Single : A 113 MET CE :methyl 173:sc= -0.0024 (180deg=-0.119) USER MOD Single : A 115 MET CE :methyl 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= 0.153 K(o=0.15,f=-0.58) USER MOD Single : A 128 TYR OH : rot -30:sc= 0.0655 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.506 -1.549 -3.696 1.00 0.00 N ATOM 2 CA VAL A 1 1.426 -0.373 -3.827 1.00 0.00 C ATOM 3 C VAL A 1 0.837 0.966 -3.246 1.00 0.00 C ATOM 4 O VAL A 1 0.972 2.029 -3.859 1.00 0.00 O ATOM 5 CB VAL A 1 1.987 -0.247 -5.293 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.854 -1.438 -5.745 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.937 0.039 -6.389 1.00 0.00 C ATOM 0 H1 VAL A 1 0.921 -2.244 -3.043 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.413 -1.232 -3.326 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.370 -1.989 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 1 2.283 -0.571 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 1 2.615 0.639 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.199 -1.270 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.714 -1.534 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.263 -2.353 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.432 0.106 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.205 -0.768 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.433 0.981 -6.173 1.00 0.00 H new ATOM 18 N GLU A 2 0.248 0.954 -2.030 1.00 0.00 N ATOM 19 CA GLU A 2 -0.517 2.120 -1.479 1.00 0.00 C ATOM 20 C GLU A 2 0.309 3.433 -1.253 1.00 0.00 C ATOM 21 O GLU A 2 -0.074 4.479 -1.783 1.00 0.00 O ATOM 22 CB GLU A 2 -1.301 1.624 -0.226 1.00 0.00 C ATOM 23 CG GLU A 2 -2.489 2.504 0.246 1.00 0.00 C ATOM 24 CD GLU A 2 -2.121 3.822 0.932 1.00 0.00 C ATOM 25 OE1 GLU A 2 -1.534 3.893 2.007 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.509 4.909 0.209 1.00 0.00 O ATOM 0 H GLU A 2 0.282 0.152 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.219 2.459 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.681 0.624 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.597 1.531 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.113 2.730 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.098 1.918 0.934 1.00 0.00 H new ATOM 34 N ALA A 3 1.453 3.386 -0.539 1.00 0.00 N ATOM 35 CA ALA A 3 2.416 4.529 -0.474 1.00 0.00 C ATOM 36 C ALA A 3 3.039 5.060 -1.818 1.00 0.00 C ATOM 37 O ALA A 3 3.484 6.209 -1.876 1.00 0.00 O ATOM 38 CB ALA A 3 3.518 4.097 0.513 1.00 0.00 C ATOM 0 H ALA A 3 1.741 2.572 0.004 1.00 0.00 H new ATOM 0 HA ALA A 3 1.841 5.399 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.257 4.893 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.075 3.898 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.003 3.193 0.144 1.00 0.00 H new ATOM 44 N PHE A 4 3.051 4.246 -2.887 1.00 0.00 N ATOM 45 CA PHE A 4 3.397 4.700 -4.263 1.00 0.00 C ATOM 46 C PHE A 4 2.241 5.365 -5.090 1.00 0.00 C ATOM 47 O PHE A 4 2.560 6.007 -6.093 1.00 0.00 O ATOM 48 CB PHE A 4 3.959 3.486 -5.055 1.00 0.00 C ATOM 49 CG PHE A 4 5.261 2.854 -4.536 1.00 0.00 C ATOM 50 CD1 PHE A 4 6.480 3.483 -4.794 1.00 0.00 C ATOM 51 CD2 PHE A 4 5.248 1.650 -3.825 1.00 0.00 C ATOM 52 CE1 PHE A 4 7.674 2.913 -4.363 1.00 0.00 C ATOM 53 CE2 PHE A 4 6.443 1.079 -3.392 1.00 0.00 C ATOM 54 CZ PHE A 4 7.655 1.710 -3.665 1.00 0.00 C ATOM 0 H PHE A 4 2.823 3.253 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 4 4.128 5.497 -4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.192 2.712 -5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.123 3.801 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.497 4.419 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.309 1.161 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.614 3.404 -4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.430 0.148 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.581 1.264 -3.334 1.00 0.00 H new ATOM 64 N CYS A 5 0.943 5.212 -4.742 1.00 0.00 N ATOM 65 CA CYS A 5 -0.194 5.713 -5.561 1.00 0.00 C ATOM 66 C CYS A 5 -0.337 7.272 -5.552 1.00 0.00 C ATOM 67 O CYS A 5 -0.929 7.866 -4.645 1.00 0.00 O ATOM 68 CB CYS A 5 -1.465 4.997 -5.059 1.00 0.00 C ATOM 69 SG CYS A 5 -1.361 3.204 -5.375 1.00 0.00 S ATOM 0 H CYS A 5 0.650 4.739 -3.887 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.014 5.481 -6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.592 5.177 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.342 5.409 -5.558 1.00 0.00 H new ATOM 0 HG CYS A 5 -0.380 2.699 -4.688 1.00 0.00 H new ATOM 75 N ALA A 6 0.266 7.928 -6.559 1.00 0.00 N ATOM 76 CA ALA A 6 0.479 9.403 -6.576 1.00 0.00 C ATOM 77 C ALA A 6 0.989 9.905 -7.969 1.00 0.00 C ATOM 78 O ALA A 6 1.496 9.145 -8.805 1.00 0.00 O ATOM 79 CB ALA A 6 1.466 9.810 -5.448 1.00 0.00 C ATOM 0 H ALA A 6 0.624 7.457 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.484 9.882 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.616 10.889 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.054 9.518 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.421 9.308 -5.602 1.00 0.00 H new ATOM 85 N THR A 7 0.870 11.227 -8.194 1.00 0.00 N ATOM 86 CA THR A 7 1.496 11.919 -9.360 1.00 0.00 C ATOM 87 C THR A 7 2.960 12.331 -8.996 1.00 0.00 C ATOM 88 O THR A 7 3.169 13.173 -8.120 1.00 0.00 O ATOM 89 CB THR A 7 0.588 13.125 -9.749 1.00 0.00 C ATOM 90 OG1 THR A 7 -0.715 12.663 -10.093 1.00 0.00 O ATOM 91 CG2 THR A 7 1.070 13.940 -10.957 1.00 0.00 C ATOM 0 H THR A 7 0.343 11.851 -7.583 1.00 0.00 H new ATOM 0 HA THR A 7 1.571 11.266 -10.230 1.00 0.00 H new ATOM 0 HB THR A 7 0.609 13.766 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.280 13.427 -10.334 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.372 14.755 -11.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.058 14.350 -10.749 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.122 13.295 -11.834 1.00 0.00 H new ATOM 99 N TRP A 8 3.968 11.733 -9.653 1.00 0.00 N ATOM 100 CA TRP A 8 5.399 11.922 -9.283 1.00 0.00 C ATOM 101 C TRP A 8 6.136 12.815 -10.330 1.00 0.00 C ATOM 102 O TRP A 8 6.372 12.391 -11.466 1.00 0.00 O ATOM 103 CB TRP A 8 6.082 10.530 -9.156 1.00 0.00 C ATOM 104 CG TRP A 8 5.625 9.652 -7.985 1.00 0.00 C ATOM 105 CD1 TRP A 8 4.769 8.535 -8.076 1.00 0.00 C ATOM 106 CD2 TRP A 8 5.917 9.789 -6.641 1.00 0.00 C ATOM 107 NE1 TRP A 8 4.528 7.959 -6.815 1.00 0.00 N ATOM 108 CE2 TRP A 8 5.239 8.762 -5.939 1.00 0.00 C ATOM 109 CE3 TRP A 8 6.686 10.753 -5.940 1.00 0.00 C ATOM 110 CZ2 TRP A 8 5.312 8.701 -4.529 1.00 0.00 C ATOM 111 CZ3 TRP A 8 6.765 10.656 -4.551 1.00 0.00 C ATOM 112 CH2 TRP A 8 6.089 9.647 -3.855 1.00 0.00 C ATOM 0 H TRP A 8 3.827 11.110 -10.448 1.00 0.00 H new ATOM 0 HA TRP A 8 5.455 12.437 -8.324 1.00 0.00 H new ATOM 0 HB2 TRP A 8 5.913 9.980 -10.082 1.00 0.00 H new ATOM 0 HB3 TRP A 8 7.158 10.684 -9.069 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.350 8.167 -9.001 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.961 7.140 -6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 8 7.198 11.543 -6.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 4.778 7.938 -3.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 7.359 11.372 -4.002 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.169 9.599 -2.779 1.00 0.00 H new ATOM 123 N LYS A 9 6.541 14.035 -9.944 1.00 0.00 N ATOM 124 CA LYS A 9 7.274 14.973 -10.846 1.00 0.00 C ATOM 125 C LYS A 9 8.807 14.973 -10.548 1.00 0.00 C ATOM 126 O LYS A 9 9.241 15.053 -9.391 1.00 0.00 O ATOM 127 CB LYS A 9 6.653 16.390 -10.733 1.00 0.00 C ATOM 128 CG LYS A 9 5.308 16.522 -11.481 1.00 0.00 C ATOM 129 CD LYS A 9 4.688 17.929 -11.379 1.00 0.00 C ATOM 130 CE LYS A 9 3.323 18.048 -12.078 1.00 0.00 C ATOM 131 NZ LYS A 9 3.434 18.091 -13.551 1.00 0.00 N ATOM 0 H LYS A 9 6.378 14.408 -9.009 1.00 0.00 H new ATOM 0 HA LYS A 9 7.166 14.634 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.502 16.632 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.357 17.122 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.459 16.275 -12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.604 15.793 -11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.573 18.192 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.376 18.653 -11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.698 17.203 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.819 18.950 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.495 18.256 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.075 18.861 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.810 17.186 -13.897 1.00 0.00 H new ATOM 144 N LEU A 10 9.630 14.877 -11.611 1.00 0.00 N ATOM 145 CA LEU A 10 11.113 14.788 -11.473 1.00 0.00 C ATOM 146 C LEU A 10 11.806 16.119 -11.032 1.00 0.00 C ATOM 147 O LEU A 10 11.583 17.191 -11.600 1.00 0.00 O ATOM 148 CB LEU A 10 11.688 14.249 -12.814 1.00 0.00 C ATOM 149 CG LEU A 10 13.185 13.826 -12.887 1.00 0.00 C ATOM 150 CD1 LEU A 10 14.140 14.972 -13.259 1.00 0.00 C ATOM 151 CD2 LEU A 10 13.713 13.022 -11.689 1.00 0.00 C ATOM 0 H LEU A 10 9.302 14.858 -12.577 1.00 0.00 H new ATOM 0 HA LEU A 10 11.333 14.102 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.089 13.385 -13.103 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.527 15.016 -13.571 1.00 0.00 H new ATOM 0 HG LEU A 10 13.180 13.123 -13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.163 14.598 -13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.869 15.368 -14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.065 15.764 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.764 12.782 -11.847 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.608 13.613 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.141 12.099 -11.590 1.00 0.00 H new ATOM 163 N THR A 11 12.706 15.996 -10.048 1.00 0.00 N ATOM 164 CA THR A 11 13.557 17.118 -9.538 1.00 0.00 C ATOM 165 C THR A 11 15.060 17.056 -9.984 1.00 0.00 C ATOM 166 O THR A 11 15.646 18.103 -10.269 1.00 0.00 O ATOM 167 CB THR A 11 13.441 17.249 -7.985 1.00 0.00 C ATOM 168 OG1 THR A 11 13.975 16.114 -7.309 1.00 0.00 O ATOM 169 CG2 THR A 11 12.017 17.460 -7.450 1.00 0.00 C ATOM 0 H THR A 11 12.878 15.112 -9.568 1.00 0.00 H new ATOM 0 HA THR A 11 13.155 18.016 -10.008 1.00 0.00 H new ATOM 0 HB THR A 11 14.020 18.149 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.610 15.295 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.045 17.539 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.603 18.377 -7.870 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.392 16.615 -7.737 1.00 0.00 H new ATOM 177 N ASN A 12 15.698 15.866 -10.006 1.00 0.00 N ATOM 178 CA ASN A 12 17.152 15.710 -10.298 1.00 0.00 C ATOM 179 C ASN A 12 17.420 14.266 -10.835 1.00 0.00 C ATOM 180 O ASN A 12 17.130 13.279 -10.150 1.00 0.00 O ATOM 181 CB ASN A 12 17.977 16.027 -9.015 1.00 0.00 C ATOM 182 CG ASN A 12 19.504 15.929 -9.165 1.00 0.00 C ATOM 183 OD1 ASN A 12 20.090 16.329 -10.165 1.00 0.00 O ATOM 184 ND2 ASN A 12 20.191 15.374 -8.195 1.00 0.00 N ATOM 0 H ASN A 12 15.225 14.981 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 12 17.465 16.413 -11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 12 17.727 17.035 -8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.663 15.345 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.203 15.278 -8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 12 19.713 15.038 -7.359 1.00 0.00 H new ATOM 191 N SER A 13 18.020 14.149 -12.030 1.00 0.00 N ATOM 192 CA SER A 13 18.482 12.849 -12.591 1.00 0.00 C ATOM 193 C SER A 13 20.032 12.719 -12.495 1.00 0.00 C ATOM 194 O SER A 13 20.753 13.328 -13.292 1.00 0.00 O ATOM 195 CB SER A 13 17.971 12.750 -14.044 1.00 0.00 C ATOM 196 OG SER A 13 18.634 13.665 -14.921 1.00 0.00 O ATOM 0 H SER A 13 18.203 14.945 -12.641 1.00 0.00 H new ATOM 0 HA SER A 13 18.077 12.018 -12.014 1.00 0.00 H new ATOM 0 HB2 SER A 13 18.116 11.733 -14.408 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.899 12.946 -14.063 1.00 0.00 H new ATOM 0 HG SER A 13 19.574 13.749 -14.656 1.00 0.00 H new ATOM 202 N GLN A 14 20.537 11.945 -11.521 1.00 0.00 N ATOM 203 CA GLN A 14 21.941 12.085 -11.034 1.00 0.00 C ATOM 204 C GLN A 14 23.072 11.669 -12.032 1.00 0.00 C ATOM 205 O GLN A 14 23.948 12.485 -12.329 1.00 0.00 O ATOM 206 CB GLN A 14 22.024 11.364 -9.656 1.00 0.00 C ATOM 207 CG GLN A 14 23.223 11.763 -8.758 1.00 0.00 C ATOM 208 CD GLN A 14 23.008 13.058 -7.961 1.00 0.00 C ATOM 209 OE1 GLN A 14 22.926 14.156 -8.501 1.00 0.00 O ATOM 210 NE2 GLN A 14 22.892 12.981 -6.657 1.00 0.00 N ATOM 0 H GLN A 14 20.005 11.214 -11.049 1.00 0.00 H new ATOM 0 HA GLN A 14 22.154 13.149 -10.931 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.102 11.561 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 14 22.067 10.289 -9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 14 23.427 10.950 -8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 14 24.109 11.877 -9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 14 22.958 12.076 -6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 14 22.736 13.826 -6.108 1.00 0.00 H new ATOM 219 N ASN A 15 23.064 10.426 -12.547 1.00 0.00 N ATOM 220 CA ASN A 15 23.989 10.001 -13.642 1.00 0.00 C ATOM 221 C ASN A 15 23.208 9.386 -14.853 1.00 0.00 C ATOM 222 O ASN A 15 23.491 8.275 -15.312 1.00 0.00 O ATOM 223 CB ASN A 15 25.070 9.091 -12.986 1.00 0.00 C ATOM 224 CG ASN A 15 26.286 8.727 -13.841 1.00 0.00 C ATOM 225 OD1 ASN A 15 26.535 7.567 -14.152 1.00 0.00 O ATOM 226 ND2 ASN A 15 27.099 9.683 -14.229 1.00 0.00 N ATOM 0 H ASN A 15 22.432 9.691 -12.230 1.00 0.00 H new ATOM 0 HA ASN A 15 24.504 10.843 -14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 15 25.427 9.587 -12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 15 24.588 8.165 -12.672 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.926 9.456 -14.782 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.904 10.652 -13.977 1.00 0.00 H new ATOM 233 N PHE A 16 22.225 10.135 -15.394 1.00 0.00 N ATOM 234 CA PHE A 16 21.305 9.612 -16.442 1.00 0.00 C ATOM 235 C PHE A 16 21.915 9.569 -17.879 1.00 0.00 C ATOM 236 O PHE A 16 21.908 8.498 -18.479 1.00 0.00 O ATOM 237 CB PHE A 16 19.939 10.330 -16.291 1.00 0.00 C ATOM 238 CG PHE A 16 18.796 9.717 -17.120 1.00 0.00 C ATOM 239 CD1 PHE A 16 18.106 8.578 -16.688 1.00 0.00 C ATOM 240 CD2 PHE A 16 18.447 10.306 -18.337 1.00 0.00 C ATOM 241 CE1 PHE A 16 17.075 8.048 -17.465 1.00 0.00 C ATOM 242 CE2 PHE A 16 17.439 9.763 -19.123 1.00 0.00 C ATOM 243 CZ PHE A 16 16.743 8.644 -18.681 1.00 0.00 C ATOM 0 H PHE A 16 22.043 11.103 -15.127 1.00 0.00 H new ATOM 0 HA PHE A 16 21.133 8.548 -16.281 1.00 0.00 H new ATOM 0 HB2 PHE A 16 19.653 10.320 -15.239 1.00 0.00 H new ATOM 0 HB3 PHE A 16 20.059 11.374 -16.579 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.372 8.109 -15.752 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.966 11.193 -18.670 1.00 0.00 H new ATOM 0 HE1 PHE A 16 16.535 7.177 -17.125 1.00 0.00 H new ATOM 0 HE2 PHE A 16 17.196 10.209 -20.076 1.00 0.00 H new ATOM 0 HZ PHE A 16 15.943 8.235 -19.281 1.00 0.00 H new ATOM 253 N ASP A 17 22.473 10.662 -18.430 1.00 0.00 N ATOM 254 CA ASP A 17 23.214 10.643 -19.736 1.00 0.00 C ATOM 255 C ASP A 17 24.341 9.563 -19.923 1.00 0.00 C ATOM 256 O ASP A 17 24.417 8.921 -20.975 1.00 0.00 O ATOM 257 CB ASP A 17 23.780 12.065 -19.988 1.00 0.00 C ATOM 258 CG ASP A 17 23.996 12.440 -21.461 1.00 0.00 C ATOM 259 OD1 ASP A 17 23.526 11.827 -22.420 1.00 0.00 O ATOM 260 OD2 ASP A 17 24.773 13.550 -21.585 1.00 0.00 O ATOM 0 H ASP A 17 22.432 11.585 -17.998 1.00 0.00 H new ATOM 0 HA ASP A 17 22.474 10.338 -20.476 1.00 0.00 H new ATOM 0 HB2 ASP A 17 23.101 12.792 -19.542 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.732 12.156 -19.465 1.00 0.00 H new ATOM 266 N GLU A 18 25.181 9.353 -18.895 1.00 0.00 N ATOM 267 CA GLU A 18 26.103 8.177 -18.822 1.00 0.00 C ATOM 268 C GLU A 18 25.399 6.777 -18.832 1.00 0.00 C ATOM 269 O GLU A 18 25.764 5.924 -19.646 1.00 0.00 O ATOM 270 CB GLU A 18 27.022 8.346 -17.587 1.00 0.00 C ATOM 271 CG GLU A 18 28.286 7.447 -17.585 1.00 0.00 C ATOM 272 CD GLU A 18 29.071 7.505 -16.275 1.00 0.00 C ATOM 273 OE1 GLU A 18 29.452 8.546 -15.749 1.00 0.00 O ATOM 274 OE2 GLU A 18 29.291 6.270 -15.745 1.00 0.00 O ATOM 0 H GLU A 18 25.250 9.979 -18.093 1.00 0.00 H new ATOM 0 HA GLU A 18 26.688 8.175 -19.742 1.00 0.00 H new ATOM 0 HB2 GLU A 18 27.335 9.388 -17.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 26.442 8.134 -16.689 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.989 6.416 -17.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 28.938 7.749 -18.404 1.00 0.00 H new ATOM 282 N TYR A 19 24.369 6.559 -17.989 1.00 0.00 N ATOM 283 CA TYR A 19 23.415 5.422 -18.140 1.00 0.00 C ATOM 284 C TYR A 19 22.788 5.272 -19.574 1.00 0.00 C ATOM 285 O TYR A 19 22.837 4.177 -20.129 1.00 0.00 O ATOM 286 CB TYR A 19 22.401 5.540 -16.965 1.00 0.00 C ATOM 287 CG TYR A 19 21.244 4.530 -16.925 1.00 0.00 C ATOM 288 CD1 TYR A 19 21.425 3.241 -16.417 1.00 0.00 C ATOM 289 CD2 TYR A 19 19.987 4.904 -17.414 1.00 0.00 C ATOM 290 CE1 TYR A 19 20.369 2.333 -16.423 1.00 0.00 C ATOM 291 CE2 TYR A 19 18.939 3.987 -17.434 1.00 0.00 C ATOM 292 CZ TYR A 19 19.134 2.699 -16.950 1.00 0.00 C ATOM 293 OH TYR A 19 18.105 1.797 -16.983 1.00 0.00 O ATOM 0 H TYR A 19 24.169 7.157 -17.187 1.00 0.00 H new ATOM 0 HA TYR A 19 23.941 4.470 -18.068 1.00 0.00 H new ATOM 0 HB2 TYR A 19 22.956 5.453 -16.031 1.00 0.00 H new ATOM 0 HB3 TYR A 19 21.973 6.542 -16.989 1.00 0.00 H new ATOM 0 HD1 TYR A 19 22.385 2.948 -16.019 1.00 0.00 H new ATOM 0 HD2 TYR A 19 19.829 5.909 -17.778 1.00 0.00 H new ATOM 0 HE1 TYR A 19 20.509 1.342 -16.017 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.975 4.277 -17.826 1.00 0.00 H new ATOM 0 HH TYR A 19 18.446 0.904 -16.767 1.00 0.00 H new ATOM 303 N MET A 20 22.296 6.353 -20.207 1.00 0.00 N ATOM 304 CA MET A 20 21.873 6.360 -21.638 1.00 0.00 C ATOM 305 C MET A 20 22.962 5.949 -22.687 1.00 0.00 C ATOM 306 O MET A 20 22.652 5.224 -23.637 1.00 0.00 O ATOM 307 CB MET A 20 21.289 7.764 -21.976 1.00 0.00 C ATOM 308 CG MET A 20 20.060 8.257 -21.185 1.00 0.00 C ATOM 309 SD MET A 20 18.551 7.437 -21.715 1.00 0.00 S ATOM 310 CE MET A 20 18.415 6.207 -20.418 1.00 0.00 C ATOM 0 H MET A 20 22.176 7.255 -19.746 1.00 0.00 H new ATOM 0 HA MET A 20 21.124 5.573 -21.728 1.00 0.00 H new ATOM 0 HB2 MET A 20 22.086 8.496 -21.842 1.00 0.00 H new ATOM 0 HB3 MET A 20 21.027 7.769 -23.034 1.00 0.00 H new ATOM 0 HG2 MET A 20 20.217 8.078 -20.121 1.00 0.00 H new ATOM 0 HG3 MET A 20 19.953 9.334 -21.314 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.388 5.845 -20.366 1.00 0.00 H new ATOM 0 HE2 MET A 20 19.083 5.374 -20.635 1.00 0.00 H new ATOM 0 HE3 MET A 20 18.691 6.654 -19.463 1.00 0.00 H new ATOM 320 N LYS A 21 24.222 6.412 -22.555 1.00 0.00 N ATOM 321 CA LYS A 21 25.378 5.857 -23.322 1.00 0.00 C ATOM 322 C LYS A 21 25.671 4.336 -23.082 1.00 0.00 C ATOM 323 O LYS A 21 25.815 3.593 -24.056 1.00 0.00 O ATOM 324 CB LYS A 21 26.600 6.787 -23.070 1.00 0.00 C ATOM 325 CG LYS A 21 27.867 6.504 -23.915 1.00 0.00 C ATOM 326 CD LYS A 21 27.705 6.757 -25.432 1.00 0.00 C ATOM 327 CE LYS A 21 28.908 6.319 -26.283 1.00 0.00 C ATOM 328 NZ LYS A 21 30.075 7.208 -26.114 1.00 0.00 N ATOM 0 H LYS A 21 24.475 7.172 -21.924 1.00 0.00 H new ATOM 0 HA LYS A 21 25.124 5.859 -24.382 1.00 0.00 H new ATOM 0 HB2 LYS A 21 26.290 7.816 -23.253 1.00 0.00 H new ATOM 0 HB3 LYS A 21 26.870 6.718 -22.016 1.00 0.00 H new ATOM 0 HG2 LYS A 21 28.681 7.125 -23.542 1.00 0.00 H new ATOM 0 HG3 LYS A 21 28.163 5.466 -23.764 1.00 0.00 H new ATOM 0 HD2 LYS A 21 26.817 6.231 -25.783 1.00 0.00 H new ATOM 0 HD3 LYS A 21 27.530 7.821 -25.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 29.189 5.301 -26.012 1.00 0.00 H new ATOM 0 HE3 LYS A 21 28.618 6.301 -27.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 30.858 6.869 -26.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 29.818 8.175 -26.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 30.371 7.206 -25.117 1.00 0.00 H new ATOM 341 N ALA A 22 25.709 3.870 -21.821 1.00 0.00 N ATOM 342 CA ALA A 22 25.812 2.421 -21.496 1.00 0.00 C ATOM 343 C ALA A 22 24.624 1.505 -21.957 1.00 0.00 C ATOM 344 O ALA A 22 24.864 0.389 -22.423 1.00 0.00 O ATOM 345 CB ALA A 22 26.051 2.345 -19.976 1.00 0.00 C ATOM 0 H ALA A 22 25.670 4.474 -21.000 1.00 0.00 H new ATOM 0 HA ALA A 22 26.634 2.004 -22.077 1.00 0.00 H new ATOM 0 HB1 ALA A 22 26.136 1.301 -19.673 1.00 0.00 H new ATOM 0 HB2 ALA A 22 26.972 2.872 -19.726 1.00 0.00 H new ATOM 0 HB3 ALA A 22 25.214 2.808 -19.453 1.00 0.00 H new ATOM 351 N LEU A 23 23.367 1.973 -21.859 1.00 0.00 N ATOM 352 CA LEU A 23 22.156 1.209 -22.272 1.00 0.00 C ATOM 353 C LEU A 23 21.940 0.954 -23.806 1.00 0.00 C ATOM 354 O LEU A 23 21.195 0.038 -24.165 1.00 0.00 O ATOM 355 CB LEU A 23 20.940 1.990 -21.676 1.00 0.00 C ATOM 356 CG LEU A 23 19.705 1.135 -21.315 1.00 0.00 C ATOM 357 CD1 LEU A 23 19.943 0.383 -19.996 1.00 0.00 C ATOM 358 CD2 LEU A 23 18.454 2.009 -21.166 1.00 0.00 C ATOM 0 H LEU A 23 23.152 2.899 -21.489 1.00 0.00 H new ATOM 0 HA LEU A 23 22.279 0.195 -21.892 1.00 0.00 H new ATOM 0 HB2 LEU A 23 21.272 2.512 -20.779 1.00 0.00 H new ATOM 0 HB3 LEU A 23 20.634 2.752 -22.393 1.00 0.00 H new ATOM 0 HG LEU A 23 19.550 0.423 -22.125 1.00 0.00 H new ATOM 0 HD11 LEU A 23 19.064 -0.215 -19.755 1.00 0.00 H new ATOM 0 HD12 LEU A 23 20.809 -0.270 -20.101 1.00 0.00 H new ATOM 0 HD13 LEU A 23 20.125 1.100 -19.196 1.00 0.00 H new ATOM 0 HD21 LEU A 23 17.600 1.381 -20.912 1.00 0.00 H new ATOM 0 HD22 LEU A 23 18.614 2.742 -20.375 1.00 0.00 H new ATOM 0 HD23 LEU A 23 18.257 2.526 -22.105 1.00 0.00 H new ATOM 370 N GLY A 24 22.519 1.788 -24.693 1.00 0.00 N ATOM 371 CA GLY A 24 22.258 1.719 -26.156 1.00 0.00 C ATOM 372 C GLY A 24 20.997 2.445 -26.684 1.00 0.00 C ATOM 373 O GLY A 24 20.287 1.886 -27.521 1.00 0.00 O ATOM 0 H GLY A 24 23.174 2.523 -24.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.125 2.129 -26.674 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.186 0.668 -26.437 1.00 0.00 H new ATOM 377 N VAL A 25 20.746 3.692 -26.247 1.00 0.00 N ATOM 378 CA VAL A 25 19.643 4.546 -26.801 1.00 0.00 C ATOM 379 C VAL A 25 20.190 5.623 -27.802 1.00 0.00 C ATOM 380 O VAL A 25 21.331 6.089 -27.692 1.00 0.00 O ATOM 381 CB VAL A 25 18.740 5.168 -25.678 1.00 0.00 C ATOM 382 CG1 VAL A 25 17.990 4.118 -24.828 1.00 0.00 C ATOM 383 CG2 VAL A 25 19.427 6.182 -24.746 1.00 0.00 C ATOM 0 H VAL A 25 21.286 4.145 -25.510 1.00 0.00 H new ATOM 0 HA VAL A 25 18.991 3.887 -27.374 1.00 0.00 H new ATOM 0 HB VAL A 25 18.018 5.730 -26.271 1.00 0.00 H new ATOM 0 HG11 VAL A 25 17.387 4.624 -24.074 1.00 0.00 H new ATOM 0 HG12 VAL A 25 17.342 3.524 -25.472 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.711 3.464 -24.338 1.00 0.00 H new ATOM 0 HG21 VAL A 25 18.709 6.545 -24.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 20.259 5.699 -24.233 1.00 0.00 H new ATOM 0 HG23 VAL A 25 19.801 7.021 -25.333 1.00 0.00 H new ATOM 393 N GLY A 26 19.352 6.076 -28.755 1.00 0.00 N ATOM 394 CA GLY A 26 19.732 7.172 -29.691 1.00 0.00 C ATOM 395 C GLY A 26 19.757 8.596 -29.087 1.00 0.00 C ATOM 396 O GLY A 26 19.687 8.785 -27.867 1.00 0.00 O ATOM 0 H GLY A 26 18.412 5.708 -28.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 20.720 6.952 -30.096 1.00 0.00 H new ATOM 0 HA3 GLY A 26 19.036 7.166 -30.529 1.00 0.00 H new ATOM 400 N PHE A 27 19.843 9.620 -29.950 1.00 0.00 N ATOM 401 CA PHE A 27 19.729 11.048 -29.512 1.00 0.00 C ATOM 402 C PHE A 27 18.228 11.520 -29.420 1.00 0.00 C ATOM 403 O PHE A 27 17.794 12.461 -30.089 1.00 0.00 O ATOM 404 CB PHE A 27 20.639 11.882 -30.466 1.00 0.00 C ATOM 405 CG PHE A 27 21.036 13.280 -29.956 1.00 0.00 C ATOM 406 CD1 PHE A 27 22.177 13.438 -29.160 1.00 0.00 C ATOM 407 CD2 PHE A 27 20.294 14.410 -30.316 1.00 0.00 C ATOM 408 CE1 PHE A 27 22.555 14.703 -28.714 1.00 0.00 C ATOM 409 CE2 PHE A 27 20.677 15.675 -29.876 1.00 0.00 C ATOM 410 CZ PHE A 27 21.807 15.819 -29.075 1.00 0.00 C ATOM 0 H PHE A 27 19.990 9.502 -30.952 1.00 0.00 H new ATOM 0 HA PHE A 27 20.083 11.192 -28.491 1.00 0.00 H new ATOM 0 HB2 PHE A 27 21.549 11.314 -30.659 1.00 0.00 H new ATOM 0 HB3 PHE A 27 20.126 11.996 -31.421 1.00 0.00 H new ATOM 0 HD1 PHE A 27 22.767 12.575 -28.890 1.00 0.00 H new ATOM 0 HD2 PHE A 27 19.419 14.301 -30.939 1.00 0.00 H new ATOM 0 HE1 PHE A 27 23.428 14.817 -28.089 1.00 0.00 H new ATOM 0 HE2 PHE A 27 20.098 16.543 -30.156 1.00 0.00 H new ATOM 0 HZ PHE A 27 22.103 16.800 -28.733 1.00 0.00 H new ATOM 420 N ALA A 28 17.440 10.839 -28.568 1.00 0.00 N ATOM 421 CA ALA A 28 15.979 11.080 -28.422 1.00 0.00 C ATOM 422 C ALA A 28 15.571 10.942 -26.925 1.00 0.00 C ATOM 423 O ALA A 28 15.377 11.964 -26.261 1.00 0.00 O ATOM 424 CB ALA A 28 15.212 10.168 -29.407 1.00 0.00 C ATOM 0 H ALA A 28 17.792 10.103 -27.956 1.00 0.00 H new ATOM 0 HA ALA A 28 15.707 12.099 -28.696 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.141 10.341 -29.304 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.520 10.395 -30.428 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.434 9.124 -29.185 1.00 0.00 H new ATOM 430 N THR A 29 15.525 9.715 -26.358 1.00 0.00 N ATOM 431 CA THR A 29 15.374 9.503 -24.878 1.00 0.00 C ATOM 432 C THR A 29 16.473 10.164 -23.976 1.00 0.00 C ATOM 433 O THR A 29 16.143 10.636 -22.886 1.00 0.00 O ATOM 434 CB THR A 29 15.185 7.978 -24.621 1.00 0.00 C ATOM 435 OG1 THR A 29 13.949 7.563 -25.194 1.00 0.00 O ATOM 436 CG2 THR A 29 15.086 7.534 -23.151 1.00 0.00 C ATOM 0 H THR A 29 15.589 8.849 -26.893 1.00 0.00 H new ATOM 0 HA THR A 29 14.485 10.047 -24.558 1.00 0.00 H new ATOM 0 HB THR A 29 16.084 7.536 -25.051 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.010 7.608 -26.171 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.956 6.453 -23.105 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.999 7.812 -22.625 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.233 8.022 -22.680 1.00 0.00 H new ATOM 444 N ARG A 30 17.744 10.252 -24.411 1.00 0.00 N ATOM 445 CA ARG A 30 18.764 11.100 -23.725 1.00 0.00 C ATOM 446 C ARG A 30 18.506 12.639 -23.683 1.00 0.00 C ATOM 447 O ARG A 30 18.755 13.253 -22.646 1.00 0.00 O ATOM 448 CB ARG A 30 20.183 10.745 -24.249 1.00 0.00 C ATOM 449 CG ARG A 30 20.565 11.220 -25.672 1.00 0.00 C ATOM 450 CD ARG A 30 22.001 10.864 -26.107 1.00 0.00 C ATOM 451 NE ARG A 30 22.178 9.396 -26.300 1.00 0.00 N ATOM 452 CZ ARG A 30 22.879 8.585 -25.508 1.00 0.00 C ATOM 453 NH1 ARG A 30 23.561 8.990 -24.463 1.00 0.00 N ATOM 454 NH2 ARG A 30 22.872 7.314 -25.778 1.00 0.00 N ATOM 0 H ARG A 30 18.097 9.754 -25.228 1.00 0.00 H new ATOM 0 HA ARG A 30 18.675 10.840 -22.670 1.00 0.00 H new ATOM 0 HB2 ARG A 30 20.911 11.158 -23.551 1.00 0.00 H new ATOM 0 HB3 ARG A 30 20.291 9.661 -24.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.865 10.785 -26.386 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.442 12.302 -25.724 1.00 0.00 H new ATOM 0 HD2 ARG A 30 22.238 11.383 -27.036 1.00 0.00 H new ATOM 0 HD3 ARG A 30 22.706 11.219 -25.355 1.00 0.00 H new ATOM 0 HE ARG A 30 21.722 8.975 -27.110 1.00 0.00 H new ATOM 0 HH11 ARG A 30 23.575 9.979 -24.216 1.00 0.00 H new ATOM 0 HH12 ARG A 30 24.077 8.315 -23.898 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.341 6.965 -26.576 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.398 6.665 -25.192 1.00 0.00 H new ATOM 468 N GLN A 31 17.987 13.263 -24.753 1.00 0.00 N ATOM 469 CA GLN A 31 17.439 14.648 -24.670 1.00 0.00 C ATOM 470 C GLN A 31 16.147 14.722 -23.795 1.00 0.00 C ATOM 471 O GLN A 31 16.141 15.423 -22.780 1.00 0.00 O ATOM 472 CB GLN A 31 17.262 15.236 -26.100 1.00 0.00 C ATOM 473 CG GLN A 31 18.556 15.460 -26.930 1.00 0.00 C ATOM 474 CD GLN A 31 19.517 16.526 -26.391 1.00 0.00 C ATOM 475 OE1 GLN A 31 19.411 17.709 -26.692 1.00 0.00 O ATOM 476 NE2 GLN A 31 20.488 16.155 -25.590 1.00 0.00 N ATOM 0 H GLN A 31 17.930 12.845 -25.682 1.00 0.00 H new ATOM 0 HA GLN A 31 18.159 15.280 -24.150 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.608 14.570 -26.663 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.745 16.191 -26.013 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.092 14.513 -26.994 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.271 15.735 -27.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 20.588 15.174 -25.331 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.142 16.848 -25.227 1.00 0.00 H new ATOM 485 N VAL A 32 15.099 13.946 -24.126 1.00 0.00 N ATOM 486 CA VAL A 32 13.810 13.921 -23.371 1.00 0.00 C ATOM 487 C VAL A 32 13.931 13.591 -21.843 1.00 0.00 C ATOM 488 O VAL A 32 13.303 14.293 -21.046 1.00 0.00 O ATOM 489 CB VAL A 32 12.777 13.015 -24.139 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.424 12.845 -23.408 1.00 0.00 C ATOM 491 CG2 VAL A 32 12.461 13.499 -25.577 1.00 0.00 C ATOM 0 H VAL A 32 15.111 13.313 -24.925 1.00 0.00 H new ATOM 0 HA VAL A 32 13.433 14.943 -23.346 1.00 0.00 H new ATOM 0 HB VAL A 32 13.296 12.058 -24.179 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.768 12.208 -24.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.592 12.386 -22.434 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.958 13.821 -23.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.742 12.822 -26.039 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.041 14.504 -25.539 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.378 13.512 -26.166 1.00 0.00 H new ATOM 501 N GLY A 33 14.705 12.576 -21.408 1.00 0.00 N ATOM 502 CA GLY A 33 14.903 12.328 -19.955 1.00 0.00 C ATOM 503 C GLY A 33 15.928 13.199 -19.181 1.00 0.00 C ATOM 504 O GLY A 33 15.880 13.171 -17.948 1.00 0.00 O ATOM 0 H GLY A 33 15.195 11.925 -22.021 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.936 12.443 -19.466 1.00 0.00 H new ATOM 0 HA3 GLY A 33 15.199 11.286 -19.835 1.00 0.00 H new ATOM 508 N ASN A 34 16.830 13.940 -19.854 1.00 0.00 N ATOM 509 CA ASN A 34 17.721 14.944 -19.198 1.00 0.00 C ATOM 510 C ASN A 34 17.157 16.404 -19.217 1.00 0.00 C ATOM 511 O ASN A 34 17.130 17.018 -18.148 1.00 0.00 O ATOM 512 CB ASN A 34 19.165 14.882 -19.773 1.00 0.00 C ATOM 513 CG ASN A 34 19.992 13.637 -19.417 1.00 0.00 C ATOM 514 OD1 ASN A 34 20.444 13.443 -18.294 1.00 0.00 O ATOM 515 ND2 ASN A 34 20.236 12.746 -20.346 1.00 0.00 N ATOM 0 H ASN A 34 16.969 13.868 -20.862 1.00 0.00 H new ATOM 0 HA ASN A 34 17.757 14.661 -18.146 1.00 0.00 H new ATOM 0 HB2 ASN A 34 19.103 14.951 -20.859 1.00 0.00 H new ATOM 0 HB3 ASN A 34 19.708 15.762 -19.428 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.789 11.918 -20.126 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.873 12.881 -21.290 1.00 0.00 H new ATOM 522 N VAL A 35 16.739 16.990 -20.365 1.00 0.00 N ATOM 523 CA VAL A 35 16.183 18.392 -20.385 1.00 0.00 C ATOM 524 C VAL A 35 14.677 18.527 -19.964 1.00 0.00 C ATOM 525 O VAL A 35 14.295 19.566 -19.417 1.00 0.00 O ATOM 526 CB VAL A 35 16.497 19.194 -21.700 1.00 0.00 C ATOM 527 CG1 VAL A 35 18.008 19.391 -21.957 1.00 0.00 C ATOM 528 CG2 VAL A 35 15.832 18.685 -22.998 1.00 0.00 C ATOM 0 H VAL A 35 16.769 16.537 -21.278 1.00 0.00 H new ATOM 0 HA VAL A 35 16.747 18.872 -19.585 1.00 0.00 H new ATOM 0 HB VAL A 35 16.030 20.152 -21.471 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.150 19.952 -22.881 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.450 19.942 -21.126 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.492 18.418 -22.045 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.127 19.322 -23.832 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.151 17.661 -23.193 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.748 18.713 -22.886 1.00 0.00 H new ATOM 538 N THR A 36 13.833 17.513 -20.225 1.00 0.00 N ATOM 539 CA THR A 36 12.388 17.523 -19.855 1.00 0.00 C ATOM 540 C THR A 36 12.166 16.736 -18.516 1.00 0.00 C ATOM 541 O THR A 36 12.761 15.681 -18.268 1.00 0.00 O ATOM 542 CB THR A 36 11.550 17.058 -21.099 1.00 0.00 C ATOM 543 OG1 THR A 36 11.134 18.203 -21.831 1.00 0.00 O ATOM 544 CG2 THR A 36 10.269 16.252 -20.845 1.00 0.00 C ATOM 0 H THR A 36 14.124 16.658 -20.699 1.00 0.00 H new ATOM 0 HA THR A 36 12.023 18.523 -19.623 1.00 0.00 H new ATOM 0 HB THR A 36 12.240 16.388 -21.613 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.373 17.968 -22.401 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.801 16.003 -21.797 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.516 15.334 -20.312 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.579 16.845 -20.245 1.00 0.00 H new ATOM 552 N LYS A 37 11.272 17.264 -17.660 1.00 0.00 N ATOM 553 CA LYS A 37 10.944 16.659 -16.339 1.00 0.00 C ATOM 554 C LYS A 37 9.624 15.809 -16.455 1.00 0.00 C ATOM 555 O LYS A 37 8.544 16.412 -16.487 1.00 0.00 O ATOM 556 CB LYS A 37 10.841 17.793 -15.274 1.00 0.00 C ATOM 557 CG LYS A 37 12.158 18.284 -14.620 1.00 0.00 C ATOM 558 CD LYS A 37 13.194 18.923 -15.567 1.00 0.00 C ATOM 559 CE LYS A 37 14.411 19.480 -14.812 1.00 0.00 C ATOM 560 NZ LYS A 37 15.399 19.998 -15.779 1.00 0.00 N ATOM 0 H LYS A 37 10.753 18.120 -17.856 1.00 0.00 H new ATOM 0 HA LYS A 37 11.731 15.976 -16.020 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.358 18.651 -15.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.179 17.449 -14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.906 19.011 -13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.628 17.437 -14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.528 18.180 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.720 19.727 -16.131 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.099 20.275 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.861 18.698 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.222 20.375 -15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.705 19.229 -16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.967 20.756 -16.344 1.00 0.00 H new ATOM 573 N PRO A 38 9.626 14.440 -16.518 1.00 0.00 N ATOM 574 CA PRO A 38 8.382 13.645 -16.702 1.00 0.00 C ATOM 575 C PRO A 38 7.461 13.543 -15.446 1.00 0.00 C ATOM 576 O PRO A 38 7.916 13.497 -14.297 1.00 0.00 O ATOM 577 CB PRO A 38 8.936 12.279 -17.154 1.00 0.00 C ATOM 578 CG PRO A 38 10.317 12.187 -16.507 1.00 0.00 C ATOM 579 CD PRO A 38 10.845 13.617 -16.616 1.00 0.00 C ATOM 0 HA PRO A 38 7.703 14.113 -17.415 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.291 11.463 -16.828 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.003 12.219 -18.240 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.255 11.858 -15.470 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.960 11.479 -17.029 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.550 13.847 -15.817 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.366 13.782 -17.559 1.00 0.00 H new ATOM 587 N THR A 39 6.148 13.484 -15.711 1.00 0.00 N ATOM 588 CA THR A 39 5.106 13.343 -14.658 1.00 0.00 C ATOM 589 C THR A 39 4.653 11.849 -14.611 1.00 0.00 C ATOM 590 O THR A 39 3.887 11.377 -15.456 1.00 0.00 O ATOM 591 CB THR A 39 3.978 14.370 -14.973 1.00 0.00 C ATOM 592 OG1 THR A 39 4.516 15.690 -14.987 1.00 0.00 O ATOM 593 CG2 THR A 39 2.838 14.389 -13.951 1.00 0.00 C ATOM 0 H THR A 39 5.769 13.532 -16.657 1.00 0.00 H new ATOM 0 HA THR A 39 5.464 13.574 -13.655 1.00 0.00 H new ATOM 0 HB THR A 39 3.578 14.057 -15.937 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.005 16.245 -15.612 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.097 15.131 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.370 13.405 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.235 14.644 -12.968 1.00 0.00 H new ATOM 601 N VAL A 40 5.175 11.096 -13.632 1.00 0.00 N ATOM 602 CA VAL A 40 4.966 9.621 -13.528 1.00 0.00 C ATOM 603 C VAL A 40 3.766 9.350 -12.563 1.00 0.00 C ATOM 604 O VAL A 40 3.917 9.400 -11.340 1.00 0.00 O ATOM 605 CB VAL A 40 6.318 8.930 -13.114 1.00 0.00 C ATOM 606 CG1 VAL A 40 6.188 7.414 -12.837 1.00 0.00 C ATOM 607 CG2 VAL A 40 7.439 9.080 -14.170 1.00 0.00 C ATOM 0 H VAL A 40 5.755 11.479 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 40 4.693 9.178 -14.485 1.00 0.00 H new ATOM 0 HB VAL A 40 6.579 9.461 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.161 7.010 -12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.481 7.252 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.830 6.910 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.341 8.579 -13.817 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.117 8.629 -15.109 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.650 10.138 -14.329 1.00 0.00 H new ATOM 617 N ILE A 41 2.574 9.038 -13.102 1.00 0.00 N ATOM 618 CA ILE A 41 1.377 8.720 -12.263 1.00 0.00 C ATOM 619 C ILE A 41 1.351 7.174 -12.033 1.00 0.00 C ATOM 620 O ILE A 41 0.996 6.407 -12.935 1.00 0.00 O ATOM 621 CB ILE A 41 0.028 9.284 -12.845 1.00 0.00 C ATOM 622 CG1 ILE A 41 0.061 10.804 -13.188 1.00 0.00 C ATOM 623 CG2 ILE A 41 -1.155 9.011 -11.873 1.00 0.00 C ATOM 624 CD1 ILE A 41 -1.105 11.318 -14.052 1.00 0.00 C ATOM 0 H ILE A 41 2.402 8.996 -14.106 1.00 0.00 H new ATOM 0 HA ILE A 41 1.467 9.231 -11.305 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.115 8.749 -13.784 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.074 11.368 -12.255 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.996 11.021 -13.705 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.075 9.411 -12.299 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.262 7.937 -11.722 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.958 9.494 -10.916 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.983 12.386 -14.230 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.112 10.790 -15.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.047 11.142 -13.533 1.00 0.00 H new ATOM 636 N ILE A 42 1.691 6.723 -10.812 1.00 0.00 N ATOM 637 CA ILE A 42 1.511 5.294 -10.405 1.00 0.00 C ATOM 638 C ILE A 42 0.037 5.138 -9.903 1.00 0.00 C ATOM 639 O ILE A 42 -0.387 5.816 -8.961 1.00 0.00 O ATOM 640 CB ILE A 42 2.592 4.828 -9.363 1.00 0.00 C ATOM 641 CG1 ILE A 42 4.048 4.964 -9.907 1.00 0.00 C ATOM 642 CG2 ILE A 42 2.342 3.373 -8.868 1.00 0.00 C ATOM 643 CD1 ILE A 42 5.178 4.702 -8.901 1.00 0.00 C ATOM 0 H ILE A 42 2.091 7.315 -10.084 1.00 0.00 H new ATOM 0 HA ILE A 42 1.671 4.628 -11.253 1.00 0.00 H new ATOM 0 HB ILE A 42 2.488 5.503 -8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.167 4.274 -10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.172 5.971 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.114 3.095 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.364 3.314 -8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.373 2.690 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.141 4.827 -9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.100 5.408 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.096 3.685 -8.518 1.00 0.00 H new ATOM 655 N SER A 43 -0.737 4.256 -10.556 1.00 0.00 N ATOM 656 CA SER A 43 -2.195 4.114 -10.296 1.00 0.00 C ATOM 657 C SER A 43 -2.626 2.617 -10.240 1.00 0.00 C ATOM 658 O SER A 43 -2.289 1.835 -11.133 1.00 0.00 O ATOM 659 CB SER A 43 -2.963 4.887 -11.401 1.00 0.00 C ATOM 660 OG SER A 43 -2.792 4.315 -12.703 1.00 0.00 O ATOM 0 H SER A 43 -0.383 3.623 -11.273 1.00 0.00 H new ATOM 0 HA SER A 43 -2.434 4.535 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.025 4.905 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.622 5.922 -11.417 1.00 0.00 H new ATOM 0 HG SER A 43 -3.627 4.398 -13.209 1.00 0.00 H new ATOM 666 N GLN A 44 -3.412 2.214 -9.228 1.00 0.00 N ATOM 667 CA GLN A 44 -4.003 0.842 -9.169 1.00 0.00 C ATOM 668 C GLN A 44 -5.421 0.862 -9.817 1.00 0.00 C ATOM 669 O GLN A 44 -6.391 1.331 -9.211 1.00 0.00 O ATOM 670 CB GLN A 44 -4.019 0.331 -7.702 1.00 0.00 C ATOM 671 CG GLN A 44 -2.615 0.086 -7.092 1.00 0.00 C ATOM 672 CD GLN A 44 -2.605 -0.456 -5.661 1.00 0.00 C ATOM 673 OE1 GLN A 44 -2.521 -1.752 -5.486 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 -2.615 0.284 -4.684 1.00 0.00 N flip ATOM 0 H GLN A 44 -3.660 2.807 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.392 0.142 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.549 1.056 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.587 -0.599 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.077 -0.614 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.061 1.024 -7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.680 1.294 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.558 -0.110 -3.745 1.00 0.00 H new ATOM 683 N GLU A 45 -5.528 0.396 -11.074 1.00 0.00 N ATOM 684 CA GLU A 45 -6.774 0.537 -11.881 1.00 0.00 C ATOM 685 C GLU A 45 -7.513 -0.839 -11.955 1.00 0.00 C ATOM 686 O GLU A 45 -7.358 -1.612 -12.907 1.00 0.00 O ATOM 687 CB GLU A 45 -6.426 1.170 -13.262 1.00 0.00 C ATOM 688 CG GLU A 45 -5.837 2.612 -13.207 1.00 0.00 C ATOM 689 CD GLU A 45 -5.581 3.295 -14.557 1.00 0.00 C ATOM 690 OE1 GLU A 45 -6.211 3.067 -15.586 1.00 0.00 O ATOM 691 OE2 GLU A 45 -4.571 4.215 -14.494 1.00 0.00 O ATOM 0 H GLU A 45 -4.771 -0.083 -11.562 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.479 1.221 -11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.711 0.523 -13.769 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.329 1.188 -13.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.519 3.238 -12.631 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.896 2.576 -12.658 1.00 0.00 H new ATOM 699 N GLY A 46 -8.302 -1.143 -10.906 1.00 0.00 N ATOM 700 CA GLY A 46 -8.999 -2.450 -10.770 1.00 0.00 C ATOM 701 C GLY A 46 -8.103 -3.586 -10.231 1.00 0.00 C ATOM 702 O GLY A 46 -7.772 -3.610 -9.044 1.00 0.00 O ATOM 0 H GLY A 46 -8.477 -0.501 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.853 -2.327 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.394 -2.743 -11.743 1.00 0.00 H new ATOM 706 N ASP A 47 -7.713 -4.514 -11.114 1.00 0.00 N ATOM 707 CA ASP A 47 -6.748 -5.608 -10.772 1.00 0.00 C ATOM 708 C ASP A 47 -5.228 -5.273 -10.979 1.00 0.00 C ATOM 709 O ASP A 47 -4.386 -5.884 -10.315 1.00 0.00 O ATOM 710 CB ASP A 47 -7.126 -6.884 -11.576 1.00 0.00 C ATOM 711 CG ASP A 47 -8.430 -7.558 -11.148 1.00 0.00 C ATOM 712 OD1 ASP A 47 -8.518 -8.331 -10.201 1.00 0.00 O ATOM 713 OD2 ASP A 47 -9.482 -7.206 -11.938 1.00 0.00 O ATOM 0 H ASP A 47 -8.043 -4.543 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.847 -5.759 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.200 -6.621 -12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.315 -7.606 -11.484 1.00 0.00 H new ATOM 719 N LYS A 48 -4.868 -4.373 -11.913 1.00 0.00 N ATOM 720 CA LYS A 48 -3.467 -4.125 -12.338 1.00 0.00 C ATOM 721 C LYS A 48 -2.905 -2.738 -11.883 1.00 0.00 C ATOM 722 O LYS A 48 -3.624 -1.745 -11.718 1.00 0.00 O ATOM 723 CB LYS A 48 -3.443 -4.337 -13.878 1.00 0.00 C ATOM 724 CG LYS A 48 -4.218 -3.304 -14.739 1.00 0.00 C ATOM 725 CD LYS A 48 -4.662 -3.833 -16.114 1.00 0.00 C ATOM 726 CE LYS A 48 -5.887 -4.763 -16.042 1.00 0.00 C ATOM 727 NZ LYS A 48 -6.272 -5.205 -17.394 1.00 0.00 N ATOM 0 H LYS A 48 -5.545 -3.788 -12.403 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.788 -4.821 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.403 -4.339 -14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.846 -5.327 -14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.099 -2.976 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.589 -2.426 -14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.893 -2.988 -16.763 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.833 -4.371 -16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.659 -5.629 -15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.721 -4.242 -15.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.100 -5.832 -17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.508 -4.376 -17.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.480 -5.719 -17.830 1.00 0.00 H new ATOM 740 N VAL A 49 -1.574 -2.675 -11.743 1.00 0.00 N ATOM 741 CA VAL A 49 -0.828 -1.404 -11.526 1.00 0.00 C ATOM 742 C VAL A 49 -0.547 -0.777 -12.934 1.00 0.00 C ATOM 743 O VAL A 49 0.121 -1.377 -13.786 1.00 0.00 O ATOM 744 CB VAL A 49 0.488 -1.646 -10.705 1.00 0.00 C ATOM 745 CG1 VAL A 49 1.255 -0.334 -10.407 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.288 -2.364 -9.350 1.00 0.00 C ATOM 0 H VAL A 49 -0.973 -3.499 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.419 -0.709 -10.929 1.00 0.00 H new ATOM 0 HB VAL A 49 1.060 -2.297 -11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.156 -0.561 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.530 0.148 -11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.619 0.336 -9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.252 -2.486 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.371 -1.769 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.159 -3.343 -9.520 1.00 0.00 H new ATOM 756 N VAL A 50 -1.076 0.432 -13.167 1.00 0.00 N ATOM 757 CA VAL A 50 -0.902 1.172 -14.447 1.00 0.00 C ATOM 758 C VAL A 50 0.006 2.401 -14.137 1.00 0.00 C ATOM 759 O VAL A 50 -0.434 3.369 -13.495 1.00 0.00 O ATOM 760 CB VAL A 50 -2.266 1.561 -15.111 1.00 0.00 C ATOM 761 CG1 VAL A 50 -2.075 2.174 -16.519 1.00 0.00 C ATOM 762 CG2 VAL A 50 -3.263 0.390 -15.263 1.00 0.00 C ATOM 0 H VAL A 50 -1.639 0.934 -12.480 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.425 0.537 -15.194 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.682 2.288 -14.414 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.048 2.428 -16.940 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.466 3.075 -16.444 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.577 1.452 -17.166 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.179 0.750 -15.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.819 -0.388 -15.885 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.495 -0.020 -14.280 1.00 0.00 H new ATOM 772 N ILE A 51 1.269 2.355 -14.599 1.00 0.00 N ATOM 773 CA ILE A 51 2.227 3.492 -14.439 1.00 0.00 C ATOM 774 C ILE A 51 2.144 4.360 -15.737 1.00 0.00 C ATOM 775 O ILE A 51 2.536 3.932 -16.829 1.00 0.00 O ATOM 776 CB ILE A 51 3.679 3.035 -14.042 1.00 0.00 C ATOM 777 CG1 ILE A 51 3.695 2.180 -12.736 1.00 0.00 C ATOM 778 CG2 ILE A 51 4.631 4.254 -13.915 1.00 0.00 C ATOM 779 CD1 ILE A 51 5.063 1.679 -12.239 1.00 0.00 C ATOM 0 H ILE A 51 1.660 1.549 -15.087 1.00 0.00 H new ATOM 0 HA ILE A 51 1.942 4.109 -13.587 1.00 0.00 H new ATOM 0 HB ILE A 51 4.041 2.396 -14.848 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.242 2.771 -11.940 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.054 1.312 -12.893 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.628 3.910 -13.640 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.679 4.779 -14.869 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.256 4.930 -13.147 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.928 1.100 -11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.520 1.050 -13.003 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.711 2.532 -12.036 1.00 0.00 H new ATOM 791 N ARG A 52 1.630 5.590 -15.589 1.00 0.00 N ATOM 792 CA ARG A 52 1.432 6.537 -16.718 1.00 0.00 C ATOM 793 C ARG A 52 2.588 7.578 -16.712 1.00 0.00 C ATOM 794 O ARG A 52 2.573 8.553 -15.954 1.00 0.00 O ATOM 795 CB ARG A 52 0.022 7.182 -16.608 1.00 0.00 C ATOM 796 CG ARG A 52 -1.157 6.194 -16.773 1.00 0.00 C ATOM 797 CD ARG A 52 -2.540 6.822 -16.502 1.00 0.00 C ATOM 798 NE ARG A 52 -3.632 5.819 -16.688 1.00 0.00 N ATOM 799 CZ ARG A 52 -4.150 5.442 -17.860 1.00 0.00 C ATOM 800 NH1 ARG A 52 -3.803 5.979 -18.999 1.00 0.00 N ATOM 801 NH2 ARG A 52 -5.035 4.488 -17.881 1.00 0.00 N ATOM 0 H ARG A 52 1.337 5.965 -14.687 1.00 0.00 H new ATOM 0 HA ARG A 52 1.467 6.022 -17.678 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.064 7.670 -15.637 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.066 7.961 -17.365 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.143 5.793 -17.786 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.011 5.353 -16.095 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.572 7.214 -15.486 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.698 7.665 -17.174 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.015 5.385 -15.848 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.106 6.723 -19.021 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.229 5.654 -19.867 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.323 4.040 -17.011 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.441 4.188 -18.768 1.00 0.00 H new ATOM 815 N THR A 53 3.607 7.343 -17.555 1.00 0.00 N ATOM 816 CA THR A 53 4.779 8.259 -17.687 1.00 0.00 C ATOM 817 C THR A 53 4.457 9.372 -18.729 1.00 0.00 C ATOM 818 O THR A 53 4.641 9.190 -19.937 1.00 0.00 O ATOM 819 CB THR A 53 6.048 7.415 -18.008 1.00 0.00 C ATOM 820 OG1 THR A 53 6.293 6.502 -16.943 1.00 0.00 O ATOM 821 CG2 THR A 53 7.347 8.216 -18.200 1.00 0.00 C ATOM 0 H THR A 53 3.653 6.525 -18.163 1.00 0.00 H new ATOM 0 HA THR A 53 4.989 8.782 -16.754 1.00 0.00 H new ATOM 0 HB THR A 53 5.817 6.932 -18.958 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.090 5.970 -17.145 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.167 7.532 -18.419 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.225 8.914 -19.029 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.570 8.771 -17.289 1.00 0.00 H new ATOM 829 N LEU A 54 3.979 10.529 -18.243 1.00 0.00 N ATOM 830 CA LEU A 54 3.641 11.697 -19.098 1.00 0.00 C ATOM 831 C LEU A 54 4.903 12.595 -19.268 1.00 0.00 C ATOM 832 O LEU A 54 5.153 13.518 -18.484 1.00 0.00 O ATOM 833 CB LEU A 54 2.429 12.436 -18.455 1.00 0.00 C ATOM 834 CG LEU A 54 1.045 11.760 -18.663 1.00 0.00 C ATOM 835 CD1 LEU A 54 0.089 12.090 -17.507 1.00 0.00 C ATOM 836 CD2 LEU A 54 0.399 12.193 -19.991 1.00 0.00 C ATOM 0 H LEU A 54 3.813 10.689 -17.249 1.00 0.00 H new ATOM 0 HA LEU A 54 3.344 11.394 -20.102 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.610 12.531 -17.384 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.385 13.446 -18.861 1.00 0.00 H new ATOM 0 HG LEU A 54 1.220 10.685 -18.690 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.871 11.604 -17.679 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.514 11.732 -16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.055 13.169 -17.451 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.567 11.701 -20.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.258 13.274 -19.992 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.048 11.911 -20.820 1.00 0.00 H new ATOM 848 N SER A 55 5.707 12.304 -20.305 1.00 0.00 N ATOM 849 CA SER A 55 6.953 13.069 -20.595 1.00 0.00 C ATOM 850 C SER A 55 6.837 14.196 -21.677 1.00 0.00 C ATOM 851 O SER A 55 7.845 14.530 -22.312 1.00 0.00 O ATOM 852 CB SER A 55 8.024 12.006 -20.940 1.00 0.00 C ATOM 853 OG SER A 55 9.309 12.618 -21.023 1.00 0.00 O ATOM 0 H SER A 55 5.524 11.546 -20.962 1.00 0.00 H new ATOM 0 HA SER A 55 7.220 13.656 -19.716 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.032 11.226 -20.179 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.779 11.525 -21.887 1.00 0.00 H new ATOM 0 HG SER A 55 9.242 13.451 -21.535 1.00 0.00 H new ATOM 859 N THR A 56 5.654 14.812 -21.890 1.00 0.00 N ATOM 860 CA THR A 56 5.392 15.821 -22.977 1.00 0.00 C ATOM 861 C THR A 56 5.397 15.258 -24.442 1.00 0.00 C ATOM 862 O THR A 56 4.439 15.466 -25.189 1.00 0.00 O ATOM 863 CB THR A 56 6.165 17.176 -22.836 1.00 0.00 C ATOM 864 OG1 THR A 56 7.569 16.980 -22.949 1.00 0.00 O ATOM 865 CG2 THR A 56 5.920 17.927 -21.518 1.00 0.00 C ATOM 0 H THR A 56 4.834 14.630 -21.312 1.00 0.00 H new ATOM 0 HA THR A 56 4.349 16.075 -22.788 1.00 0.00 H new ATOM 0 HB THR A 56 5.770 17.784 -23.650 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.756 16.028 -23.086 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.497 18.852 -21.513 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.860 18.161 -21.424 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.229 17.302 -20.680 1.00 0.00 H new ATOM 873 N PHE A 57 6.469 14.557 -24.839 1.00 0.00 N ATOM 874 CA PHE A 57 6.649 13.973 -26.201 1.00 0.00 C ATOM 875 C PHE A 57 6.145 12.487 -26.267 1.00 0.00 C ATOM 876 O PHE A 57 5.315 12.160 -27.117 1.00 0.00 O ATOM 877 CB PHE A 57 8.136 14.099 -26.681 1.00 0.00 C ATOM 878 CG PHE A 57 8.904 15.413 -26.408 1.00 0.00 C ATOM 879 CD1 PHE A 57 9.565 15.555 -25.184 1.00 0.00 C ATOM 880 CD2 PHE A 57 8.972 16.449 -27.344 1.00 0.00 C ATOM 881 CE1 PHE A 57 10.299 16.701 -24.904 1.00 0.00 C ATOM 882 CE2 PHE A 57 9.699 17.607 -27.057 1.00 0.00 C ATOM 883 CZ PHE A 57 10.364 17.728 -25.836 1.00 0.00 C ATOM 0 H PHE A 57 7.257 14.369 -24.220 1.00 0.00 H new ATOM 0 HA PHE A 57 6.031 14.551 -26.888 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.700 13.287 -26.222 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.150 13.928 -27.757 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.504 14.766 -24.449 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.461 16.354 -28.291 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.819 16.793 -23.962 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.746 18.408 -27.780 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.930 18.621 -25.616 1.00 0.00 H new ATOM 893 N LYS A 58 6.650 11.595 -25.384 1.00 0.00 N ATOM 894 CA LYS A 58 6.200 10.178 -25.289 1.00 0.00 C ATOM 895 C LYS A 58 5.349 9.982 -23.992 1.00 0.00 C ATOM 896 O LYS A 58 5.884 9.988 -22.876 1.00 0.00 O ATOM 897 CB LYS A 58 7.438 9.229 -25.302 1.00 0.00 C ATOM 898 CG LYS A 58 8.268 9.147 -26.609 1.00 0.00 C ATOM 899 CD LYS A 58 7.525 8.497 -27.798 1.00 0.00 C ATOM 900 CE LYS A 58 8.377 8.317 -29.068 1.00 0.00 C ATOM 901 NZ LYS A 58 9.300 7.165 -28.966 1.00 0.00 N ATOM 0 H LYS A 58 7.382 11.833 -24.715 1.00 0.00 H new ATOM 0 HA LYS A 58 5.575 9.932 -26.147 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.107 9.539 -24.499 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.093 8.224 -25.060 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.574 10.153 -26.894 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.178 8.581 -26.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.152 7.522 -27.486 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.656 9.107 -28.043 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.720 8.179 -29.927 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.952 9.225 -29.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.816 7.053 -29.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.978 7.331 -28.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.756 6.301 -28.769 1.00 0.00 H new ATOM 914 N ASN A 59 4.025 9.790 -24.138 1.00 0.00 N ATOM 915 CA ASN A 59 3.114 9.494 -22.994 1.00 0.00 C ATOM 916 C ASN A 59 2.776 7.969 -22.889 1.00 0.00 C ATOM 917 O ASN A 59 1.773 7.499 -23.435 1.00 0.00 O ATOM 918 CB ASN A 59 1.890 10.451 -23.018 1.00 0.00 C ATOM 919 CG ASN A 59 0.985 10.517 -24.255 1.00 0.00 C ATOM 920 OD1 ASN A 59 1.124 11.377 -25.116 1.00 0.00 O ATOM 921 ND2 ASN A 59 0.017 9.644 -24.373 1.00 0.00 N ATOM 0 H ASN A 59 3.550 9.833 -25.040 1.00 0.00 H new ATOM 0 HA ASN A 59 3.629 9.704 -22.057 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.258 10.189 -22.169 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.264 11.459 -22.837 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.611 9.685 -25.175 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.109 8.923 -23.663 1.00 0.00 H new ATOM 928 N THR A 60 3.624 7.190 -22.191 1.00 0.00 N ATOM 929 CA THR A 60 3.498 5.700 -22.140 1.00 0.00 C ATOM 930 C THR A 60 2.714 5.198 -20.884 1.00 0.00 C ATOM 931 O THR A 60 3.034 5.542 -19.740 1.00 0.00 O ATOM 932 CB THR A 60 4.879 5.014 -22.357 1.00 0.00 C ATOM 933 OG1 THR A 60 4.697 3.607 -22.466 1.00 0.00 O ATOM 934 CG2 THR A 60 5.973 5.239 -21.302 1.00 0.00 C ATOM 0 H THR A 60 4.408 7.557 -21.651 1.00 0.00 H new ATOM 0 HA THR A 60 2.874 5.389 -22.977 1.00 0.00 H new ATOM 0 HB THR A 60 5.245 5.499 -23.262 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.565 3.175 -22.604 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.874 4.699 -21.591 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.196 6.304 -21.230 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.626 4.875 -20.335 1.00 0.00 H new ATOM 942 N GLU A 61 1.679 4.372 -21.122 1.00 0.00 N ATOM 943 CA GLU A 61 0.816 3.793 -20.056 1.00 0.00 C ATOM 944 C GLU A 61 1.075 2.260 -19.903 1.00 0.00 C ATOM 945 O GLU A 61 0.552 1.450 -20.675 1.00 0.00 O ATOM 946 CB GLU A 61 -0.666 4.204 -20.327 1.00 0.00 C ATOM 947 CG GLU A 61 -1.360 3.657 -21.609 1.00 0.00 C ATOM 948 CD GLU A 61 -2.701 4.305 -21.956 1.00 0.00 C ATOM 949 OE1 GLU A 61 -3.700 4.254 -21.240 1.00 0.00 O ATOM 950 OE2 GLU A 61 -2.668 4.948 -23.158 1.00 0.00 O ATOM 0 H GLU A 61 1.410 4.081 -22.062 1.00 0.00 H new ATOM 0 HA GLU A 61 1.068 4.200 -19.077 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.260 3.892 -19.468 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.708 5.293 -20.365 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.683 3.789 -22.453 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.514 2.585 -21.489 1.00 0.00 H new ATOM 958 N ILE A 62 1.905 1.851 -18.923 1.00 0.00 N ATOM 959 CA ILE A 62 2.310 0.417 -18.757 1.00 0.00 C ATOM 960 C ILE A 62 1.408 -0.302 -17.707 1.00 0.00 C ATOM 961 O ILE A 62 1.488 -0.048 -16.503 1.00 0.00 O ATOM 962 CB ILE A 62 3.844 0.212 -18.510 1.00 0.00 C ATOM 963 CG1 ILE A 62 4.454 1.036 -17.342 1.00 0.00 C ATOM 964 CG2 ILE A 62 4.620 0.425 -19.830 1.00 0.00 C ATOM 965 CD1 ILE A 62 5.812 0.533 -16.822 1.00 0.00 C ATOM 0 H ILE A 62 2.313 2.480 -18.231 1.00 0.00 H new ATOM 0 HA ILE A 62 2.136 -0.069 -19.717 1.00 0.00 H new ATOM 0 HB ILE A 62 3.953 -0.819 -18.174 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.569 2.069 -17.669 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.745 1.041 -16.514 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.686 0.281 -19.653 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.276 -0.293 -20.574 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.446 1.437 -20.195 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.151 1.175 -16.009 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.706 -0.489 -16.457 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.542 0.556 -17.631 1.00 0.00 H new ATOM 977 N SER A 63 0.551 -1.202 -18.209 1.00 0.00 N ATOM 978 CA SER A 63 -0.488 -1.903 -17.407 1.00 0.00 C ATOM 979 C SER A 63 -0.073 -3.364 -17.060 1.00 0.00 C ATOM 980 O SER A 63 0.015 -4.210 -17.957 1.00 0.00 O ATOM 981 CB SER A 63 -1.806 -1.873 -18.221 1.00 0.00 C ATOM 982 OG SER A 63 -1.722 -2.683 -19.398 1.00 0.00 O ATOM 0 H SER A 63 0.551 -1.474 -19.192 1.00 0.00 H new ATOM 0 HA SER A 63 -0.617 -1.395 -16.451 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.627 -2.224 -17.596 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.036 -0.845 -18.503 1.00 0.00 H new ATOM 0 HG SER A 63 -1.047 -3.382 -19.267 1.00 0.00 H new ATOM 988 N PHE A 64 0.165 -3.656 -15.773 1.00 0.00 N ATOM 989 CA PHE A 64 0.756 -4.954 -15.330 1.00 0.00 C ATOM 990 C PHE A 64 0.240 -5.379 -13.919 1.00 0.00 C ATOM 991 O PHE A 64 0.019 -4.541 -13.039 1.00 0.00 O ATOM 992 CB PHE A 64 2.318 -4.871 -15.378 1.00 0.00 C ATOM 993 CG PHE A 64 2.991 -3.813 -14.474 1.00 0.00 C ATOM 994 CD1 PHE A 64 3.211 -4.086 -13.120 1.00 0.00 C ATOM 995 CD2 PHE A 64 3.258 -2.530 -14.966 1.00 0.00 C ATOM 996 CE1 PHE A 64 3.636 -3.079 -12.261 1.00 0.00 C ATOM 997 CE2 PHE A 64 3.697 -1.526 -14.108 1.00 0.00 C ATOM 998 CZ PHE A 64 3.876 -1.800 -12.754 1.00 0.00 C ATOM 0 H PHE A 64 -0.040 -3.015 -15.007 1.00 0.00 H new ATOM 0 HA PHE A 64 0.430 -5.732 -16.020 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.718 -5.849 -15.111 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.616 -4.676 -16.408 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.050 -5.084 -12.740 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.123 -2.318 -16.016 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.780 -3.289 -11.211 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.898 -0.537 -14.491 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.202 -1.017 -12.085 1.00 0.00 H new ATOM 1008 N GLN A 65 0.134 -6.688 -13.654 1.00 0.00 N ATOM 1009 CA GLN A 65 0.011 -7.208 -12.257 1.00 0.00 C ATOM 1010 C GLN A 65 1.415 -7.438 -11.591 1.00 0.00 C ATOM 1011 O GLN A 65 2.441 -7.604 -12.261 1.00 0.00 O ATOM 1012 CB GLN A 65 -0.902 -8.466 -12.255 1.00 0.00 C ATOM 1013 CG GLN A 65 -2.397 -8.172 -12.564 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.311 -9.392 -12.450 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.413 -10.216 -13.351 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -4.008 -9.551 -11.350 1.00 0.00 N ATOM 0 H GLN A 65 0.129 -7.413 -14.372 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.469 -6.457 -11.629 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.524 -9.176 -12.990 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.833 -8.949 -11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.753 -7.400 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.475 -7.766 -13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.930 -8.871 -10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.628 -10.355 -11.251 1.00 0.00 H new ATOM 1025 N LEU A 66 1.474 -7.431 -10.246 1.00 0.00 N ATOM 1026 CA LEU A 66 2.754 -7.580 -9.488 1.00 0.00 C ATOM 1027 C LEU A 66 3.343 -9.027 -9.586 1.00 0.00 C ATOM 1028 O LEU A 66 2.656 -10.013 -9.302 1.00 0.00 O ATOM 1029 CB LEU A 66 2.527 -7.167 -8.007 1.00 0.00 C ATOM 1030 CG LEU A 66 2.171 -5.681 -7.726 1.00 0.00 C ATOM 1031 CD1 LEU A 66 1.760 -5.518 -6.254 1.00 0.00 C ATOM 1032 CD2 LEU A 66 3.331 -4.722 -8.056 1.00 0.00 C ATOM 0 H LEU A 66 0.653 -7.324 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 66 3.494 -6.920 -9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.727 -7.787 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.431 -7.409 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 66 1.340 -5.416 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.511 -4.475 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.891 -6.143 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.586 -5.820 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.028 -3.697 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.199 -4.979 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.587 -4.811 -9.112 1.00 0.00 H new ATOM 1044 N GLY A 67 4.601 -9.148 -10.047 1.00 0.00 N ATOM 1045 CA GLY A 67 5.150 -10.449 -10.532 1.00 0.00 C ATOM 1046 C GLY A 67 4.875 -10.882 -11.999 1.00 0.00 C ATOM 1047 O GLY A 67 5.397 -11.920 -12.411 1.00 0.00 O ATOM 0 H GLY A 67 5.261 -8.372 -10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.231 -10.422 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.765 -11.233 -9.880 1.00 0.00 H new ATOM 1051 N GLU A 68 4.083 -10.135 -12.788 1.00 0.00 N ATOM 1052 CA GLU A 68 3.695 -10.523 -14.165 1.00 0.00 C ATOM 1053 C GLU A 68 4.761 -10.096 -15.221 1.00 0.00 C ATOM 1054 O GLU A 68 5.176 -8.934 -15.300 1.00 0.00 O ATOM 1055 CB GLU A 68 2.323 -9.864 -14.470 1.00 0.00 C ATOM 1056 CG GLU A 68 1.610 -10.337 -15.768 1.00 0.00 C ATOM 1057 CD GLU A 68 1.053 -9.190 -16.613 1.00 0.00 C ATOM 1058 OE1 GLU A 68 0.215 -8.394 -16.193 1.00 0.00 O ATOM 1059 OE2 GLU A 68 1.600 -9.143 -17.867 1.00 0.00 O ATOM 0 H GLU A 68 3.690 -9.241 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 68 3.626 -11.609 -14.228 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.658 -10.050 -13.626 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.467 -8.785 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.313 -10.912 -16.370 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.795 -11.009 -15.501 1.00 0.00 H new ATOM 1067 N GLU A 69 5.119 -11.048 -16.092 1.00 0.00 N ATOM 1068 CA GLU A 69 5.864 -10.760 -17.343 1.00 0.00 C ATOM 1069 C GLU A 69 4.960 -10.050 -18.414 1.00 0.00 C ATOM 1070 O GLU A 69 3.798 -10.425 -18.627 1.00 0.00 O ATOM 1071 CB GLU A 69 6.439 -12.120 -17.838 1.00 0.00 C ATOM 1072 CG GLU A 69 7.509 -12.053 -18.959 1.00 0.00 C ATOM 1073 CD GLU A 69 8.857 -11.487 -18.517 1.00 0.00 C ATOM 1074 OE1 GLU A 69 9.772 -12.164 -18.062 1.00 0.00 O ATOM 1075 OE2 GLU A 69 8.927 -10.140 -18.682 1.00 0.00 O ATOM 0 H GLU A 69 4.906 -12.037 -15.959 1.00 0.00 H new ATOM 0 HA GLU A 69 6.675 -10.055 -17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.873 -12.638 -16.983 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.610 -12.731 -18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.663 -13.056 -19.356 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.123 -11.443 -19.776 1.00 0.00 H new ATOM 1083 N PHE A 70 5.503 -9.018 -19.077 1.00 0.00 N ATOM 1084 CA PHE A 70 4.822 -8.303 -20.195 1.00 0.00 C ATOM 1085 C PHE A 70 5.857 -7.826 -21.266 1.00 0.00 C ATOM 1086 O PHE A 70 7.002 -7.484 -20.952 1.00 0.00 O ATOM 1087 CB PHE A 70 3.890 -7.162 -19.677 1.00 0.00 C ATOM 1088 CG PHE A 70 4.521 -5.915 -19.026 1.00 0.00 C ATOM 1089 CD1 PHE A 70 4.947 -5.956 -17.695 1.00 0.00 C ATOM 1090 CD2 PHE A 70 4.631 -4.717 -19.743 1.00 0.00 C ATOM 1091 CE1 PHE A 70 5.494 -4.825 -17.096 1.00 0.00 C ATOM 1092 CE2 PHE A 70 5.165 -3.582 -19.137 1.00 0.00 C ATOM 1093 CZ PHE A 70 5.606 -3.640 -17.817 1.00 0.00 C ATOM 0 H PHE A 70 6.428 -8.646 -18.861 1.00 0.00 H new ATOM 0 HA PHE A 70 4.161 -9.009 -20.698 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.287 -6.823 -20.519 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.206 -7.601 -18.951 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.851 -6.870 -17.128 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.300 -4.673 -20.770 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.832 -4.867 -16.071 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.237 -2.657 -19.690 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.035 -2.764 -17.353 1.00 0.00 H new ATOM 1103 N ASP A 71 5.446 -7.761 -22.548 1.00 0.00 N ATOM 1104 CA ASP A 71 6.285 -7.112 -23.601 1.00 0.00 C ATOM 1105 C ASP A 71 6.046 -5.570 -23.630 1.00 0.00 C ATOM 1106 O ASP A 71 4.908 -5.092 -23.583 1.00 0.00 O ATOM 1107 CB ASP A 71 6.025 -7.730 -24.996 1.00 0.00 C ATOM 1108 CG ASP A 71 6.580 -9.136 -25.229 1.00 0.00 C ATOM 1109 OD1 ASP A 71 7.349 -9.416 -26.144 1.00 0.00 O ATOM 1110 OD2 ASP A 71 6.129 -10.030 -24.302 1.00 0.00 O ATOM 0 H ASP A 71 4.560 -8.138 -22.884 1.00 0.00 H new ATOM 0 HA ASP A 71 7.329 -7.295 -23.346 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.948 -7.755 -25.164 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.449 -7.066 -25.749 1.00 0.00 H new ATOM 1116 N GLU A 72 7.144 -4.807 -23.709 1.00 0.00 N ATOM 1117 CA GLU A 72 7.106 -3.323 -23.637 1.00 0.00 C ATOM 1118 C GLU A 72 7.959 -2.713 -24.792 1.00 0.00 C ATOM 1119 O GLU A 72 9.195 -2.739 -24.751 1.00 0.00 O ATOM 1120 CB GLU A 72 7.590 -2.907 -22.221 1.00 0.00 C ATOM 1121 CG GLU A 72 7.475 -1.391 -21.909 1.00 0.00 C ATOM 1122 CD GLU A 72 8.166 -0.900 -20.635 1.00 0.00 C ATOM 1123 OE1 GLU A 72 8.876 0.101 -20.600 1.00 0.00 O ATOM 1124 OE2 GLU A 72 7.878 -1.671 -19.547 1.00 0.00 O ATOM 0 H GLU A 72 8.083 -5.189 -23.824 1.00 0.00 H new ATOM 0 HA GLU A 72 6.097 -2.935 -23.777 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.014 -3.460 -21.479 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.631 -3.209 -22.106 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.884 -0.837 -22.754 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.417 -1.136 -21.843 1.00 0.00 H new ATOM 1132 N THR A 73 7.290 -2.099 -25.783 1.00 0.00 N ATOM 1133 CA THR A 73 7.954 -1.240 -26.809 1.00 0.00 C ATOM 1134 C THR A 73 8.255 0.159 -26.182 1.00 0.00 C ATOM 1135 O THR A 73 7.348 0.954 -25.913 1.00 0.00 O ATOM 1136 CB THR A 73 7.066 -1.144 -28.088 1.00 0.00 C ATOM 1137 OG1 THR A 73 6.691 -2.437 -28.555 1.00 0.00 O ATOM 1138 CG2 THR A 73 7.758 -0.455 -29.276 1.00 0.00 C ATOM 0 H THR A 73 6.280 -2.176 -25.905 1.00 0.00 H new ATOM 0 HA THR A 73 8.902 -1.681 -27.119 1.00 0.00 H new ATOM 0 HB THR A 73 6.208 -0.553 -27.770 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.418 -3.071 -28.383 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.077 -0.427 -30.127 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.033 0.562 -28.997 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.655 -1.012 -29.547 1.00 0.00 H new ATOM 1146 N THR A 74 9.537 0.423 -25.899 1.00 0.00 N ATOM 1147 CA THR A 74 9.951 1.592 -25.067 1.00 0.00 C ATOM 1148 C THR A 74 9.988 2.961 -25.823 1.00 0.00 C ATOM 1149 O THR A 74 9.986 3.040 -27.057 1.00 0.00 O ATOM 1150 CB THR A 74 11.334 1.312 -24.397 1.00 0.00 C ATOM 1151 OG1 THR A 74 12.344 1.147 -25.380 1.00 0.00 O ATOM 1152 CG2 THR A 74 11.370 0.118 -23.429 1.00 0.00 C ATOM 0 H THR A 74 10.315 -0.149 -26.227 1.00 0.00 H new ATOM 0 HA THR A 74 9.172 1.699 -24.313 1.00 0.00 H new ATOM 0 HB THR A 74 11.520 2.196 -23.787 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.217 0.290 -25.839 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.375 0.011 -23.020 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.663 0.287 -22.616 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.098 -0.792 -23.963 1.00 0.00 H new ATOM 1160 N ALA A 75 10.128 4.048 -25.041 1.00 0.00 N ATOM 1161 CA ALA A 75 10.342 5.421 -25.574 1.00 0.00 C ATOM 1162 C ALA A 75 11.593 5.720 -26.476 1.00 0.00 C ATOM 1163 O ALA A 75 11.634 6.804 -27.068 1.00 0.00 O ATOM 1164 CB ALA A 75 10.305 6.347 -24.341 1.00 0.00 C ATOM 0 H ALA A 75 10.097 4.007 -24.022 1.00 0.00 H new ATOM 0 HA ALA A 75 9.552 5.587 -26.307 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.456 7.379 -24.657 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.338 6.257 -23.847 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.095 6.060 -23.647 1.00 0.00 H new ATOM 1170 N ASP A 76 12.569 4.796 -26.637 1.00 0.00 N ATOM 1171 CA ASP A 76 13.555 4.875 -27.761 1.00 0.00 C ATOM 1172 C ASP A 76 13.497 3.678 -28.776 1.00 0.00 C ATOM 1173 O ASP A 76 14.519 3.378 -29.406 1.00 0.00 O ATOM 1174 CB ASP A 76 14.972 5.066 -27.146 1.00 0.00 C ATOM 1175 CG ASP A 76 15.926 5.881 -28.018 1.00 0.00 C ATOM 1176 OD1 ASP A 76 16.295 7.020 -27.738 1.00 0.00 O ATOM 1177 OD2 ASP A 76 16.341 5.186 -29.119 1.00 0.00 O ATOM 0 H ASP A 76 12.701 3.996 -26.018 1.00 0.00 H new ATOM 0 HA ASP A 76 13.289 5.732 -28.380 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.873 5.557 -26.178 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.412 4.086 -26.963 1.00 0.00 H new ATOM 1183 N ASP A 77 12.332 3.025 -28.975 1.00 0.00 N ATOM 1184 CA ASP A 77 12.151 1.920 -29.975 1.00 0.00 C ATOM 1185 C ASP A 77 13.009 0.622 -29.728 1.00 0.00 C ATOM 1186 O ASP A 77 13.519 -0.001 -30.663 1.00 0.00 O ATOM 1187 CB ASP A 77 12.211 2.457 -31.439 1.00 0.00 C ATOM 1188 CG ASP A 77 11.148 3.494 -31.805 1.00 0.00 C ATOM 1189 OD1 ASP A 77 11.340 4.706 -31.790 1.00 0.00 O ATOM 1190 OD2 ASP A 77 9.960 2.921 -32.139 1.00 0.00 O ATOM 0 H ASP A 77 11.483 3.240 -28.453 1.00 0.00 H new ATOM 0 HA ASP A 77 11.139 1.551 -29.809 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.195 2.896 -31.606 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.119 1.612 -32.121 1.00 0.00 H new ATOM 1196 N ARG A 78 13.101 0.184 -28.460 1.00 0.00 N ATOM 1197 CA ARG A 78 13.643 -1.149 -28.077 1.00 0.00 C ATOM 1198 C ARG A 78 12.531 -1.957 -27.333 1.00 0.00 C ATOM 1199 O ARG A 78 11.878 -1.436 -26.416 1.00 0.00 O ATOM 1200 CB ARG A 78 14.971 -1.032 -27.268 1.00 0.00 C ATOM 1201 CG ARG A 78 14.924 -0.302 -25.906 1.00 0.00 C ATOM 1202 CD ARG A 78 16.165 -0.540 -25.037 1.00 0.00 C ATOM 1203 NE ARG A 78 16.114 0.241 -23.779 1.00 0.00 N ATOM 1204 CZ ARG A 78 15.383 -0.069 -22.700 1.00 0.00 C ATOM 1205 NH1 ARG A 78 14.733 -1.191 -22.556 1.00 0.00 N ATOM 1206 NH2 ARG A 78 15.286 0.785 -21.729 1.00 0.00 N ATOM 0 H ARG A 78 12.802 0.742 -27.661 1.00 0.00 H new ATOM 0 HA ARG A 78 13.916 -1.702 -28.976 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.347 -2.040 -27.095 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.702 -0.522 -27.896 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.813 0.768 -26.081 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.040 -0.629 -25.359 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.247 -1.601 -24.803 1.00 0.00 H new ATOM 0 HD3 ARG A 78 17.059 -0.268 -25.598 1.00 0.00 H new ATOM 0 HE ARG A 78 16.683 1.086 -23.730 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.763 -1.896 -23.292 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.195 -1.363 -21.707 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.764 1.684 -21.791 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.732 0.558 -20.903 1.00 0.00 H new ATOM 1220 N ASN A 79 12.331 -3.224 -27.731 1.00 0.00 N ATOM 1221 CA ASN A 79 11.301 -4.114 -27.128 1.00 0.00 C ATOM 1222 C ASN A 79 11.915 -4.953 -25.965 1.00 0.00 C ATOM 1223 O ASN A 79 12.796 -5.790 -26.194 1.00 0.00 O ATOM 1224 CB ASN A 79 10.695 -5.034 -28.224 1.00 0.00 C ATOM 1225 CG ASN A 79 9.831 -4.322 -29.274 1.00 0.00 C ATOM 1226 OD1 ASN A 79 8.804 -3.726 -28.968 1.00 0.00 O ATOM 1227 ND2 ASN A 79 10.203 -4.359 -30.531 1.00 0.00 N ATOM 0 H ASN A 79 12.870 -3.667 -28.475 1.00 0.00 H new ATOM 0 HA ASN A 79 10.502 -3.503 -26.709 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.509 -5.547 -28.735 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.090 -5.800 -27.739 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.640 -3.895 -31.243 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.056 -4.852 -30.796 1.00 0.00 H new ATOM 1234 N CYS A 80 11.446 -4.732 -24.724 1.00 0.00 N ATOM 1235 CA CYS A 80 11.905 -5.503 -23.539 1.00 0.00 C ATOM 1236 C CYS A 80 10.821 -6.453 -22.954 1.00 0.00 C ATOM 1237 O CYS A 80 9.640 -6.106 -22.834 1.00 0.00 O ATOM 1238 CB CYS A 80 12.401 -4.506 -22.471 1.00 0.00 C ATOM 1239 SG CYS A 80 11.103 -3.313 -22.010 1.00 0.00 S ATOM 0 H CYS A 80 10.745 -4.023 -24.508 1.00 0.00 H new ATOM 0 HA CYS A 80 12.715 -6.159 -23.860 1.00 0.00 H new ATOM 0 HB2 CYS A 80 12.725 -5.052 -21.585 1.00 0.00 H new ATOM 0 HB3 CYS A 80 13.271 -3.969 -22.850 1.00 0.00 H new ATOM 0 HG CYS A 80 10.418 -3.782 -21.010 1.00 0.00 H new ATOM 1245 N LYS A 81 11.271 -7.629 -22.483 1.00 0.00 N ATOM 1246 CA LYS A 81 10.497 -8.474 -21.538 1.00 0.00 C ATOM 1247 C LYS A 81 10.584 -7.859 -20.103 1.00 0.00 C ATOM 1248 O LYS A 81 11.589 -7.978 -19.394 1.00 0.00 O ATOM 1249 CB LYS A 81 11.035 -9.932 -21.587 1.00 0.00 C ATOM 1250 CG LYS A 81 10.750 -10.749 -22.870 1.00 0.00 C ATOM 1251 CD LYS A 81 9.254 -11.043 -23.123 1.00 0.00 C ATOM 1252 CE LYS A 81 8.982 -12.104 -24.206 1.00 0.00 C ATOM 1253 NZ LYS A 81 9.271 -11.605 -25.565 1.00 0.00 N ATOM 0 H LYS A 81 12.175 -8.025 -22.741 1.00 0.00 H new ATOM 0 HA LYS A 81 9.445 -8.502 -21.823 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.115 -9.899 -21.441 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.615 -10.475 -20.740 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.151 -10.208 -23.727 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.288 -11.695 -22.810 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.799 -11.372 -22.189 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.759 -10.115 -23.410 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.591 -12.986 -24.008 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.940 -12.417 -24.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.155 -12.378 -26.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.614 -10.833 -25.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.248 -11.252 -25.605 1.00 0.00 H new ATOM 1266 N SER A 82 9.514 -7.157 -19.717 1.00 0.00 N ATOM 1267 CA SER A 82 9.418 -6.421 -18.434 1.00 0.00 C ATOM 1268 C SER A 82 8.698 -7.240 -17.323 1.00 0.00 C ATOM 1269 O SER A 82 7.597 -7.757 -17.532 1.00 0.00 O ATOM 1270 CB SER A 82 8.631 -5.130 -18.736 1.00 0.00 C ATOM 1271 OG SER A 82 9.347 -4.262 -19.614 1.00 0.00 O ATOM 0 H SER A 82 8.673 -7.077 -20.289 1.00 0.00 H new ATOM 0 HA SER A 82 10.418 -6.217 -18.051 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.671 -5.387 -19.183 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.419 -4.608 -17.803 1.00 0.00 H new ATOM 0 HG SER A 82 8.909 -3.386 -19.637 1.00 0.00 H new ATOM 1277 N VAL A 83 9.310 -7.331 -16.133 1.00 0.00 N ATOM 1278 CA VAL A 83 8.699 -8.010 -14.948 1.00 0.00 C ATOM 1279 C VAL A 83 8.897 -7.119 -13.675 1.00 0.00 C ATOM 1280 O VAL A 83 10.021 -6.726 -13.341 1.00 0.00 O ATOM 1281 CB VAL A 83 9.191 -9.496 -14.826 1.00 0.00 C ATOM 1282 CG1 VAL A 83 10.701 -9.693 -14.562 1.00 0.00 C ATOM 1283 CG2 VAL A 83 8.404 -10.304 -13.772 1.00 0.00 C ATOM 0 H VAL A 83 10.236 -6.944 -15.951 1.00 0.00 H new ATOM 0 HA VAL A 83 7.621 -8.107 -15.073 1.00 0.00 H new ATOM 0 HB VAL A 83 8.992 -9.878 -15.828 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.923 -10.758 -14.497 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.274 -9.252 -15.378 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.973 -9.208 -13.625 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.789 -11.323 -13.733 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.518 -9.835 -12.795 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.349 -10.325 -14.043 1.00 0.00 H new ATOM 1293 N VAL A 84 7.794 -6.777 -12.976 1.00 0.00 N ATOM 1294 CA VAL A 84 7.823 -5.794 -11.848 1.00 0.00 C ATOM 1295 C VAL A 84 7.516 -6.528 -10.504 1.00 0.00 C ATOM 1296 O VAL A 84 6.376 -6.935 -10.254 1.00 0.00 O ATOM 1297 CB VAL A 84 6.871 -4.575 -12.107 1.00 0.00 C ATOM 1298 CG1 VAL A 84 6.946 -3.520 -10.977 1.00 0.00 C ATOM 1299 CG2 VAL A 84 7.135 -3.824 -13.432 1.00 0.00 C ATOM 0 H VAL A 84 6.868 -7.161 -13.165 1.00 0.00 H new ATOM 0 HA VAL A 84 8.824 -5.369 -11.777 1.00 0.00 H new ATOM 0 HB VAL A 84 5.886 -5.040 -12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.269 -2.696 -11.203 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.657 -3.979 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.965 -3.141 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.431 -2.997 -13.528 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.153 -3.436 -13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.007 -4.509 -14.270 1.00 0.00 H new ATOM 1309 N SER A 85 8.525 -6.642 -9.625 1.00 0.00 N ATOM 1310 CA SER A 85 8.386 -7.282 -8.290 1.00 0.00 C ATOM 1311 C SER A 85 8.336 -6.237 -7.129 1.00 0.00 C ATOM 1312 O SER A 85 9.181 -5.339 -7.035 1.00 0.00 O ATOM 1313 CB SER A 85 9.542 -8.298 -8.118 1.00 0.00 C ATOM 1314 OG SER A 85 10.835 -7.685 -8.124 1.00 0.00 O ATOM 0 H SER A 85 9.466 -6.295 -9.813 1.00 0.00 H new ATOM 0 HA SER A 85 7.431 -7.805 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.407 -8.837 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.492 -9.035 -8.920 1.00 0.00 H new ATOM 0 HG SER A 85 11.208 -7.699 -7.218 1.00 0.00 H new ATOM 1320 N LEU A 86 7.360 -6.386 -6.214 1.00 0.00 N ATOM 1321 CA LEU A 86 7.326 -5.625 -4.932 1.00 0.00 C ATOM 1322 C LEU A 86 8.117 -6.415 -3.835 1.00 0.00 C ATOM 1323 O LEU A 86 7.611 -7.367 -3.231 1.00 0.00 O ATOM 1324 CB LEU A 86 5.841 -5.350 -4.546 1.00 0.00 C ATOM 1325 CG LEU A 86 5.564 -4.083 -3.693 1.00 0.00 C ATOM 1326 CD1 LEU A 86 4.059 -3.969 -3.395 1.00 0.00 C ATOM 1327 CD2 LEU A 86 6.326 -4.026 -2.359 1.00 0.00 C ATOM 0 H LEU A 86 6.576 -7.028 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 86 7.817 -4.657 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.259 -5.275 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.466 -6.216 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 86 5.923 -3.250 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.873 -3.077 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.507 -3.898 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.729 -4.851 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.070 -3.107 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.051 -4.884 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.399 -4.047 -2.552 1.00 0.00 H new ATOM 1339 N ASP A 87 9.370 -6.015 -3.584 1.00 0.00 N ATOM 1340 CA ASP A 87 10.299 -6.737 -2.671 1.00 0.00 C ATOM 1341 C ASP A 87 10.295 -6.081 -1.251 1.00 0.00 C ATOM 1342 O ASP A 87 11.207 -5.331 -0.889 1.00 0.00 O ATOM 1343 CB ASP A 87 11.704 -6.751 -3.340 1.00 0.00 C ATOM 1344 CG ASP A 87 11.821 -7.577 -4.624 1.00 0.00 C ATOM 1345 OD1 ASP A 87 11.595 -7.135 -5.747 1.00 0.00 O ATOM 1346 OD2 ASP A 87 12.198 -8.863 -4.379 1.00 0.00 O ATOM 0 H ASP A 87 9.780 -5.181 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 87 9.981 -7.768 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.989 -5.723 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.426 -7.132 -2.618 1.00 0.00 H new ATOM 1352 N GLY A 88 9.241 -6.349 -0.453 1.00 0.00 N ATOM 1353 CA GLY A 88 9.109 -5.808 0.934 1.00 0.00 C ATOM 1354 C GLY A 88 9.152 -4.271 1.122 1.00 0.00 C ATOM 1355 O GLY A 88 10.001 -3.772 1.862 1.00 0.00 O ATOM 0 H GLY A 88 8.460 -6.939 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.166 -6.168 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.906 -6.241 1.539 1.00 0.00 H new ATOM 1359 N ASP A 89 8.236 -3.536 0.467 1.00 0.00 N ATOM 1360 CA ASP A 89 8.324 -2.049 0.246 1.00 0.00 C ATOM 1361 C ASP A 89 9.032 -1.613 -1.085 1.00 0.00 C ATOM 1362 O ASP A 89 8.634 -0.599 -1.658 1.00 0.00 O ATOM 1363 CB ASP A 89 8.808 -1.146 1.423 1.00 0.00 C ATOM 1364 CG ASP A 89 8.058 -1.302 2.743 1.00 0.00 C ATOM 1365 OD1 ASP A 89 7.136 -0.570 3.088 1.00 0.00 O ATOM 1366 OD2 ASP A 89 8.544 -2.340 3.484 1.00 0.00 O ATOM 0 H ASP A 89 7.395 -3.948 0.063 1.00 0.00 H new ATOM 0 HA ASP A 89 7.255 -1.850 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.863 -1.352 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.736 -0.105 1.109 1.00 0.00 H new ATOM 1372 N LYS A 90 10.073 -2.315 -1.568 1.00 0.00 N ATOM 1373 CA LYS A 90 10.904 -1.865 -2.719 1.00 0.00 C ATOM 1374 C LYS A 90 10.354 -2.372 -4.095 1.00 0.00 C ATOM 1375 O LYS A 90 10.381 -3.569 -4.390 1.00 0.00 O ATOM 1376 CB LYS A 90 12.343 -2.349 -2.395 1.00 0.00 C ATOM 1377 CG LYS A 90 13.438 -1.910 -3.392 1.00 0.00 C ATOM 1378 CD LYS A 90 14.864 -2.302 -2.946 1.00 0.00 C ATOM 1379 CE LYS A 90 15.462 -1.351 -1.894 1.00 0.00 C ATOM 1380 NZ LYS A 90 16.847 -1.750 -1.581 1.00 0.00 N ATOM 0 H LYS A 90 10.368 -3.210 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 90 10.883 -0.782 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.614 -1.986 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.338 -3.438 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.234 -2.357 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.390 -0.829 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.844 -3.313 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.516 -2.322 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.446 -0.327 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.856 -1.370 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.243 -1.102 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.853 -2.720 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.424 -1.709 -2.445 1.00 0.00 H new ATOM 1393 N LEU A 91 9.889 -1.457 -4.963 1.00 0.00 N ATOM 1394 CA LEU A 91 9.428 -1.802 -6.339 1.00 0.00 C ATOM 1395 C LEU A 91 10.624 -1.959 -7.336 1.00 0.00 C ATOM 1396 O LEU A 91 11.395 -1.019 -7.538 1.00 0.00 O ATOM 1397 CB LEU A 91 8.424 -0.701 -6.815 1.00 0.00 C ATOM 1398 CG LEU A 91 6.911 -0.969 -6.616 1.00 0.00 C ATOM 1399 CD1 LEU A 91 6.115 0.257 -7.104 1.00 0.00 C ATOM 1400 CD2 LEU A 91 6.399 -2.207 -7.377 1.00 0.00 C ATOM 0 H LEU A 91 9.818 -0.463 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 91 8.928 -2.770 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.671 0.225 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.597 -0.527 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 91 6.766 -1.156 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.049 0.076 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.411 1.135 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.322 0.428 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.332 -2.333 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.568 -2.073 -8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.934 -3.092 -7.033 1.00 0.00 H new ATOM 1412 N VAL A 92 10.753 -3.120 -8.003 1.00 0.00 N ATOM 1413 CA VAL A 92 11.928 -3.429 -8.885 1.00 0.00 C ATOM 1414 C VAL A 92 11.383 -3.808 -10.304 1.00 0.00 C ATOM 1415 O VAL A 92 10.828 -4.893 -10.495 1.00 0.00 O ATOM 1416 CB VAL A 92 12.842 -4.536 -8.244 1.00 0.00 C ATOM 1417 CG1 VAL A 92 14.135 -4.772 -9.056 1.00 0.00 C ATOM 1418 CG2 VAL A 92 13.291 -4.259 -6.787 1.00 0.00 C ATOM 0 H VAL A 92 10.064 -3.871 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 92 12.574 -2.558 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 92 12.190 -5.409 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.732 -5.545 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.877 -5.091 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.709 -3.847 -9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.916 -5.080 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.859 -3.329 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.414 -4.172 -6.146 1.00 0.00 H new ATOM 1428 N HIS A 93 11.539 -2.906 -11.294 1.00 0.00 N ATOM 1429 CA HIS A 93 11.120 -3.153 -12.709 1.00 0.00 C ATOM 1430 C HIS A 93 12.322 -3.692 -13.536 1.00 0.00 C ATOM 1431 O HIS A 93 13.187 -2.922 -13.959 1.00 0.00 O ATOM 1432 CB HIS A 93 10.531 -1.824 -13.266 1.00 0.00 C ATOM 1433 CG HIS A 93 10.023 -1.739 -14.711 1.00 0.00 C ATOM 1434 ND1 HIS A 93 9.937 -2.784 -15.623 1.00 0.00 N ATOM 1435 CD2 HIS A 93 9.549 -0.546 -15.286 1.00 0.00 C ATOM 1436 CE1 HIS A 93 9.425 -2.097 -16.691 1.00 0.00 C ATOM 1437 NE2 HIS A 93 9.164 -0.760 -16.593 1.00 0.00 N ATOM 0 H HIS A 93 11.956 -1.987 -11.147 1.00 0.00 H new ATOM 0 HA HIS A 93 10.349 -3.921 -12.773 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.701 -1.544 -12.617 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.299 -1.059 -13.150 1.00 0.00 H new ATOM 0 HD2 HIS A 93 9.494 0.404 -14.776 1.00 0.00 H new ATOM 0 HE1 HIS A 93 9.226 -2.616 -17.617 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.792 -0.109 -17.285 1.00 0.00 H new ATOM 1445 N ILE A 94 12.347 -5.011 -13.763 1.00 0.00 N ATOM 1446 CA ILE A 94 13.420 -5.702 -14.536 1.00 0.00 C ATOM 1447 C ILE A 94 13.044 -5.671 -16.054 1.00 0.00 C ATOM 1448 O ILE A 94 12.101 -6.351 -16.469 1.00 0.00 O ATOM 1449 CB ILE A 94 13.589 -7.151 -13.944 1.00 0.00 C ATOM 1450 CG1 ILE A 94 14.213 -7.163 -12.516 1.00 0.00 C ATOM 1451 CG2 ILE A 94 14.405 -8.102 -14.856 1.00 0.00 C ATOM 1452 CD1 ILE A 94 13.825 -8.377 -11.653 1.00 0.00 C ATOM 0 H ILE A 94 11.625 -5.644 -13.419 1.00 0.00 H new ATOM 0 HA ILE A 94 14.387 -5.206 -14.449 1.00 0.00 H new ATOM 0 HB ILE A 94 12.567 -7.524 -13.884 1.00 0.00 H new ATOM 0 HG12 ILE A 94 15.299 -7.133 -12.609 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.912 -6.254 -11.996 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.481 -9.082 -14.385 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.905 -8.200 -15.819 1.00 0.00 H new ATOM 0 HG23 ILE A 94 15.404 -7.693 -15.006 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.306 -8.299 -10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.743 -8.400 -11.523 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.151 -9.293 -12.146 1.00 0.00 H new ATOM 1464 N GLN A 95 13.810 -4.932 -16.873 1.00 0.00 N ATOM 1465 CA GLN A 95 13.666 -4.949 -18.356 1.00 0.00 C ATOM 1466 C GLN A 95 14.760 -5.862 -18.993 1.00 0.00 C ATOM 1467 O GLN A 95 15.955 -5.596 -18.832 1.00 0.00 O ATOM 1468 CB GLN A 95 13.774 -3.504 -18.920 1.00 0.00 C ATOM 1469 CG GLN A 95 12.626 -2.538 -18.527 1.00 0.00 C ATOM 1470 CD GLN A 95 12.621 -1.182 -19.250 1.00 0.00 C ATOM 1471 OE1 GLN A 95 13.503 -0.807 -20.021 1.00 0.00 O ATOM 1472 NE2 GLN A 95 11.583 -0.411 -19.054 1.00 0.00 N ATOM 0 H GLN A 95 14.544 -4.307 -16.539 1.00 0.00 H new ATOM 0 HA GLN A 95 12.685 -5.351 -18.610 1.00 0.00 H new ATOM 0 HB2 GLN A 95 14.717 -3.073 -18.584 1.00 0.00 H new ATOM 0 HB3 GLN A 95 13.819 -3.561 -20.008 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.675 -3.035 -18.719 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.680 -2.357 -17.454 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.842 -0.705 -18.418 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.515 0.485 -19.537 1.00 0.00 H new ATOM 1481 N LYS A 96 14.353 -6.904 -19.740 1.00 0.00 N ATOM 1482 CA LYS A 96 15.297 -7.826 -20.442 1.00 0.00 C ATOM 1483 C LYS A 96 15.142 -7.693 -21.994 1.00 0.00 C ATOM 1484 O LYS A 96 14.073 -7.972 -22.546 1.00 0.00 O ATOM 1485 CB LYS A 96 15.043 -9.286 -19.974 1.00 0.00 C ATOM 1486 CG LYS A 96 15.491 -9.605 -18.529 1.00 0.00 C ATOM 1487 CD LYS A 96 15.208 -11.070 -18.146 1.00 0.00 C ATOM 1488 CE LYS A 96 15.636 -11.392 -16.707 1.00 0.00 C ATOM 1489 NZ LYS A 96 15.351 -12.807 -16.400 1.00 0.00 N ATOM 0 H LYS A 96 13.371 -7.139 -19.881 1.00 0.00 H new ATOM 0 HA LYS A 96 16.322 -7.554 -20.189 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.977 -9.498 -20.061 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.559 -9.963 -20.655 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.557 -9.403 -18.427 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.974 -8.943 -17.835 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.143 -11.273 -18.259 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.734 -11.731 -18.835 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.700 -11.191 -16.582 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.105 -10.746 -16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.644 -13.016 -15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.332 -12.986 -16.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.877 -13.418 -17.058 1.00 0.00 H new ATOM 1502 N TRP A 97 16.206 -7.274 -22.704 1.00 0.00 N ATOM 1503 CA TRP A 97 16.174 -7.053 -24.182 1.00 0.00 C ATOM 1504 C TRP A 97 17.528 -7.489 -24.821 1.00 0.00 C ATOM 1505 O TRP A 97 18.585 -6.994 -24.426 1.00 0.00 O ATOM 1506 CB TRP A 97 15.778 -5.583 -24.540 1.00 0.00 C ATOM 1507 CG TRP A 97 16.822 -4.467 -24.338 1.00 0.00 C ATOM 1508 CD1 TRP A 97 17.639 -3.917 -25.352 1.00 0.00 C ATOM 1509 CD2 TRP A 97 17.278 -3.912 -23.157 1.00 0.00 C ATOM 1510 NE1 TRP A 97 18.579 -3.005 -24.827 1.00 0.00 N ATOM 1511 CE2 TRP A 97 18.365 -3.054 -23.463 1.00 0.00 C ATOM 1512 CE3 TRP A 97 16.923 -4.162 -21.810 1.00 0.00 C ATOM 1513 CZ2 TRP A 97 19.134 -2.484 -22.424 1.00 0.00 C ATOM 1514 CZ3 TRP A 97 17.698 -3.594 -20.805 1.00 0.00 C ATOM 1515 CH2 TRP A 97 18.793 -2.779 -21.103 1.00 0.00 C ATOM 0 H TRP A 97 17.113 -7.077 -22.282 1.00 0.00 H new ATOM 0 HA TRP A 97 15.394 -7.681 -24.611 1.00 0.00 H new ATOM 0 HB2 TRP A 97 15.475 -5.567 -25.587 1.00 0.00 H new ATOM 0 HB3 TRP A 97 14.899 -5.324 -23.950 1.00 0.00 H new ATOM 0 HD1 TRP A 97 17.554 -4.164 -26.400 1.00 0.00 H new ATOM 0 HE1 TRP A 97 19.259 -2.440 -25.336 1.00 0.00 H new ATOM 0 HE3 TRP A 97 16.070 -4.779 -21.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 19.967 -1.834 -22.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 17.448 -3.787 -19.772 1.00 0.00 H new ATOM 0 HH2 TRP A 97 19.386 -2.370 -20.298 1.00 0.00 H new ATOM 1526 N ASP A 98 17.521 -8.386 -25.827 1.00 0.00 N ATOM 1527 CA ASP A 98 18.760 -8.762 -26.599 1.00 0.00 C ATOM 1528 C ASP A 98 19.995 -9.282 -25.757 1.00 0.00 C ATOM 1529 O ASP A 98 21.146 -8.949 -26.058 1.00 0.00 O ATOM 1530 CB ASP A 98 19.131 -7.595 -27.573 1.00 0.00 C ATOM 1531 CG ASP A 98 18.103 -7.282 -28.662 1.00 0.00 C ATOM 1532 OD1 ASP A 98 17.944 -7.967 -29.666 1.00 0.00 O ATOM 1533 OD2 ASP A 98 17.377 -6.161 -28.390 1.00 0.00 O ATOM 0 H ASP A 98 16.680 -8.873 -26.137 1.00 0.00 H new ATOM 0 HA ASP A 98 18.498 -9.656 -27.165 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.293 -6.693 -26.983 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.079 -7.836 -28.054 1.00 0.00 H new ATOM 1539 N GLY A 99 19.768 -10.068 -24.682 1.00 0.00 N ATOM 1540 CA GLY A 99 20.823 -10.335 -23.652 1.00 0.00 C ATOM 1541 C GLY A 99 21.053 -9.296 -22.515 1.00 0.00 C ATOM 1542 O GLY A 99 21.608 -9.654 -21.475 1.00 0.00 O ATOM 0 H GLY A 99 18.877 -10.529 -24.496 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.588 -11.290 -23.182 1.00 0.00 H new ATOM 0 HA3 GLY A 99 21.770 -10.462 -24.177 1.00 0.00 H new ATOM 1546 N LYS A 100 20.669 -8.026 -22.707 1.00 0.00 N ATOM 1547 CA LYS A 100 20.911 -6.916 -21.749 1.00 0.00 C ATOM 1548 C LYS A 100 19.792 -6.805 -20.660 1.00 0.00 C ATOM 1549 O LYS A 100 18.601 -6.979 -20.943 1.00 0.00 O ATOM 1550 CB LYS A 100 20.974 -5.602 -22.574 1.00 0.00 C ATOM 1551 CG LYS A 100 22.154 -5.426 -23.549 1.00 0.00 C ATOM 1552 CD LYS A 100 22.038 -4.088 -24.305 1.00 0.00 C ATOM 1553 CE LYS A 100 23.283 -3.786 -25.137 1.00 0.00 C ATOM 1554 NZ LYS A 100 23.062 -2.598 -25.985 1.00 0.00 N ATOM 0 H LYS A 100 20.171 -7.727 -23.546 1.00 0.00 H new ATOM 0 HA LYS A 100 21.842 -7.105 -21.215 1.00 0.00 H new ATOM 0 HB2 LYS A 100 20.050 -5.521 -23.147 1.00 0.00 H new ATOM 0 HB3 LYS A 100 20.989 -4.767 -21.874 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.095 -5.459 -23.000 1.00 0.00 H new ATOM 0 HG3 LYS A 100 22.171 -6.252 -24.260 1.00 0.00 H new ATOM 0 HD2 LYS A 100 21.165 -4.116 -24.957 1.00 0.00 H new ATOM 0 HD3 LYS A 100 21.876 -3.281 -23.590 1.00 0.00 H new ATOM 0 HE2 LYS A 100 24.135 -3.617 -24.479 1.00 0.00 H new ATOM 0 HE3 LYS A 100 23.528 -4.645 -25.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 23.918 -2.406 -26.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 22.262 -2.773 -26.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 22.851 -1.776 -25.383 1.00 0.00 H new ATOM 1567 N GLU A 101 20.190 -6.479 -19.417 1.00 0.00 N ATOM 1568 CA GLU A 101 19.259 -6.363 -18.257 1.00 0.00 C ATOM 1569 C GLU A 101 19.499 -5.023 -17.491 1.00 0.00 C ATOM 1570 O GLU A 101 20.598 -4.781 -16.982 1.00 0.00 O ATOM 1571 CB GLU A 101 19.452 -7.618 -17.354 1.00 0.00 C ATOM 1572 CG GLU A 101 18.438 -7.823 -16.190 1.00 0.00 C ATOM 1573 CD GLU A 101 18.501 -6.890 -14.972 1.00 0.00 C ATOM 1574 OE1 GLU A 101 17.510 -6.375 -14.465 1.00 0.00 O ATOM 1575 OE2 GLU A 101 19.773 -6.713 -14.509 1.00 0.00 O ATOM 0 H GLU A 101 21.163 -6.287 -19.178 1.00 0.00 H new ATOM 0 HA GLU A 101 18.223 -6.334 -18.593 1.00 0.00 H new ATOM 0 HB2 GLU A 101 19.416 -8.501 -17.992 1.00 0.00 H new ATOM 0 HB3 GLU A 101 20.453 -7.574 -16.925 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.435 -7.747 -16.611 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.555 -8.844 -15.828 1.00 0.00 H new ATOM 1583 N THR A 102 18.448 -4.196 -17.345 1.00 0.00 N ATOM 1584 CA THR A 102 18.431 -3.052 -16.380 1.00 0.00 C ATOM 1585 C THR A 102 17.242 -3.216 -15.382 1.00 0.00 C ATOM 1586 O THR A 102 16.131 -3.592 -15.779 1.00 0.00 O ATOM 1587 CB THR A 102 18.432 -1.664 -17.104 1.00 0.00 C ATOM 1588 OG1 THR A 102 18.682 -0.609 -16.173 1.00 0.00 O ATOM 1589 CG2 THR A 102 17.143 -1.279 -17.855 1.00 0.00 C ATOM 0 H THR A 102 17.586 -4.290 -17.883 1.00 0.00 H new ATOM 0 HA THR A 102 19.356 -3.073 -15.803 1.00 0.00 H new ATOM 0 HB THR A 102 19.219 -1.785 -17.848 1.00 0.00 H new ATOM 0 HG1 THR A 102 19.371 -0.892 -15.536 1.00 0.00 H new ATOM 0 HG21 THR A 102 17.268 -0.298 -18.313 1.00 0.00 H new ATOM 0 HG22 THR A 102 16.939 -2.018 -18.630 1.00 0.00 H new ATOM 0 HG23 THR A 102 16.309 -1.248 -17.154 1.00 0.00 H new ATOM 1597 N ASN A 103 17.466 -2.901 -14.094 1.00 0.00 N ATOM 1598 CA ASN A 103 16.388 -2.906 -13.065 1.00 0.00 C ATOM 1599 C ASN A 103 16.171 -1.493 -12.435 1.00 0.00 C ATOM 1600 O ASN A 103 17.130 -0.804 -12.065 1.00 0.00 O ATOM 1601 CB ASN A 103 16.557 -4.076 -12.061 1.00 0.00 C ATOM 1602 CG ASN A 103 17.824 -4.134 -11.204 1.00 0.00 C ATOM 1603 OD1 ASN A 103 17.914 -3.531 -10.140 1.00 0.00 O ATOM 1604 ND2 ASN A 103 18.820 -4.880 -11.618 1.00 0.00 N ATOM 0 H ASN A 103 18.382 -2.638 -13.731 1.00 0.00 H new ATOM 0 HA ASN A 103 15.439 -3.116 -13.558 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.702 -4.057 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.497 -5.007 -12.625 1.00 0.00 H new ATOM 0 HD21 ASN A 103 19.667 -4.958 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.747 -5.383 -12.503 1.00 0.00 H new ATOM 1611 N PHE A 104 14.897 -1.054 -12.339 1.00 0.00 N ATOM 1612 CA PHE A 104 14.549 0.302 -11.824 1.00 0.00 C ATOM 1613 C PHE A 104 14.048 0.155 -10.358 1.00 0.00 C ATOM 1614 O PHE A 104 12.917 -0.287 -10.114 1.00 0.00 O ATOM 1615 CB PHE A 104 13.487 1.046 -12.690 1.00 0.00 C ATOM 1616 CG PHE A 104 13.621 1.199 -14.221 1.00 0.00 C ATOM 1617 CD1 PHE A 104 14.812 0.991 -14.930 1.00 0.00 C ATOM 1618 CD2 PHE A 104 12.476 1.595 -14.924 1.00 0.00 C ATOM 1619 CE1 PHE A 104 14.842 1.145 -16.313 1.00 0.00 C ATOM 1620 CE2 PHE A 104 12.511 1.752 -16.307 1.00 0.00 C ATOM 1621 CZ PHE A 104 13.696 1.525 -17.000 1.00 0.00 C ATOM 0 H PHE A 104 14.088 -1.614 -12.610 1.00 0.00 H new ATOM 0 HA PHE A 104 15.448 0.917 -11.872 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.534 0.549 -12.509 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.403 2.054 -12.283 1.00 0.00 H new ATOM 0 HD1 PHE A 104 15.711 0.710 -14.401 1.00 0.00 H new ATOM 0 HD2 PHE A 104 11.557 1.780 -14.388 1.00 0.00 H new ATOM 0 HE1 PHE A 104 15.760 0.968 -16.854 1.00 0.00 H new ATOM 0 HE2 PHE A 104 11.620 2.049 -16.841 1.00 0.00 H new ATOM 0 HZ PHE A 104 13.725 1.644 -18.073 1.00 0.00 H new ATOM 1631 N VAL A 105 14.892 0.533 -9.390 1.00 0.00 N ATOM 1632 CA VAL A 105 14.603 0.368 -7.937 1.00 0.00 C ATOM 1633 C VAL A 105 13.819 1.631 -7.439 1.00 0.00 C ATOM 1634 O VAL A 105 14.404 2.670 -7.123 1.00 0.00 O ATOM 1635 CB VAL A 105 15.950 0.052 -7.195 1.00 0.00 C ATOM 1636 CG1 VAL A 105 15.842 0.099 -5.656 1.00 0.00 C ATOM 1637 CG2 VAL A 105 16.548 -1.328 -7.570 1.00 0.00 C ATOM 0 H VAL A 105 15.797 0.963 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 105 13.951 -0.477 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 105 16.608 0.851 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.813 -0.130 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 105 15.528 1.095 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 105 15.109 -0.635 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 105 17.477 -1.483 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 105 15.839 -2.114 -7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 105 16.749 -1.359 -8.641 1.00 0.00 H new ATOM 1647 N ARG A 106 12.482 1.519 -7.390 1.00 0.00 N ATOM 1648 CA ARG A 106 11.580 2.573 -6.860 1.00 0.00 C ATOM 1649 C ARG A 106 11.314 2.336 -5.341 1.00 0.00 C ATOM 1650 O ARG A 106 10.709 1.333 -4.949 1.00 0.00 O ATOM 1651 CB ARG A 106 10.258 2.552 -7.688 1.00 0.00 C ATOM 1652 CG ARG A 106 10.259 3.384 -9.001 1.00 0.00 C ATOM 1653 CD ARG A 106 10.561 2.598 -10.294 1.00 0.00 C ATOM 1654 NE ARG A 106 9.349 1.871 -10.774 1.00 0.00 N ATOM 1655 CZ ARG A 106 9.123 0.565 -10.655 1.00 0.00 C ATOM 1656 NH1 ARG A 106 9.999 -0.283 -10.193 1.00 0.00 N ATOM 1657 NH2 ARG A 106 7.965 0.104 -11.022 1.00 0.00 N ATOM 0 H ARG A 106 11.985 0.691 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 106 12.041 3.556 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.027 1.517 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.450 2.915 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.285 3.861 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.995 4.182 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.908 3.283 -11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.367 1.887 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 106 8.628 2.426 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.919 0.044 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.764 -1.273 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.257 0.739 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.764 -0.893 -10.942 1.00 0.00 H new ATOM 1671 N GLU A 107 11.752 3.277 -4.490 1.00 0.00 N ATOM 1672 CA GLU A 107 11.576 3.179 -3.013 1.00 0.00 C ATOM 1673 C GLU A 107 11.248 4.575 -2.402 1.00 0.00 C ATOM 1674 O GLU A 107 11.993 5.540 -2.615 1.00 0.00 O ATOM 1675 CB GLU A 107 12.806 2.472 -2.365 1.00 0.00 C ATOM 1676 CG GLU A 107 14.213 3.121 -2.517 1.00 0.00 C ATOM 1677 CD GLU A 107 14.718 3.933 -1.324 1.00 0.00 C ATOM 1678 OE1 GLU A 107 15.647 3.567 -0.610 1.00 0.00 O ATOM 1679 OE2 GLU A 107 14.040 5.105 -1.157 1.00 0.00 O ATOM 0 H GLU A 107 12.235 4.123 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 107 10.715 2.551 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.604 2.370 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.862 1.464 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.934 2.330 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.197 3.772 -3.391 1.00 0.00 H new ATOM 1687 N ILE A 108 10.171 4.678 -1.601 1.00 0.00 N ATOM 1688 CA ILE A 108 9.789 5.954 -0.915 1.00 0.00 C ATOM 1689 C ILE A 108 10.656 6.138 0.377 1.00 0.00 C ATOM 1690 O ILE A 108 10.633 5.282 1.267 1.00 0.00 O ATOM 1691 CB ILE A 108 8.244 6.034 -0.619 1.00 0.00 C ATOM 1692 CG1 ILE A 108 7.288 5.698 -1.805 1.00 0.00 C ATOM 1693 CG2 ILE A 108 7.826 7.411 -0.031 1.00 0.00 C ATOM 1694 CD1 ILE A 108 7.576 6.429 -3.128 1.00 0.00 C ATOM 0 H ILE A 108 9.542 3.900 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 108 9.999 6.785 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 108 8.117 5.237 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.332 4.624 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.267 5.928 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.752 7.416 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.358 7.584 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.075 8.200 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.851 6.119 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.500 7.505 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.581 6.181 -3.469 1.00 0.00 H new ATOM 1706 N LYS A 109 11.408 7.251 0.472 1.00 0.00 N ATOM 1707 CA LYS A 109 12.297 7.522 1.639 1.00 0.00 C ATOM 1708 C LYS A 109 11.613 8.548 2.603 1.00 0.00 C ATOM 1709 O LYS A 109 10.630 8.194 3.261 1.00 0.00 O ATOM 1710 CB LYS A 109 13.709 7.833 1.061 1.00 0.00 C ATOM 1711 CG LYS A 109 14.845 7.894 2.112 1.00 0.00 C ATOM 1712 CD LYS A 109 16.259 8.001 1.506 1.00 0.00 C ATOM 1713 CE LYS A 109 16.588 9.378 0.904 1.00 0.00 C ATOM 1714 NZ LYS A 109 17.972 9.376 0.393 1.00 0.00 N ATOM 0 H LYS A 109 11.424 7.982 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 109 12.455 6.679 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.959 7.072 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.668 8.787 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.676 8.750 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.796 7.002 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 109 16.991 7.772 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 109 16.367 7.243 0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.892 9.609 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.470 10.154 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.193 10.307 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 18.630 9.174 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 18.070 8.646 -0.341 1.00 0.00 H new ATOM 1727 N ASP A 110 12.071 9.813 2.686 1.00 0.00 N ATOM 1728 CA ASP A 110 11.431 10.851 3.549 1.00 0.00 C ATOM 1729 C ASP A 110 10.263 11.572 2.791 1.00 0.00 C ATOM 1730 O ASP A 110 10.374 12.757 2.453 1.00 0.00 O ATOM 1731 CB ASP A 110 12.591 11.782 4.011 1.00 0.00 C ATOM 1732 CG ASP A 110 12.241 12.831 5.069 1.00 0.00 C ATOM 1733 OD1 ASP A 110 12.687 12.808 6.212 1.00 0.00 O ATOM 1734 OD2 ASP A 110 11.401 13.796 4.586 1.00 0.00 O ATOM 0 H ASP A 110 12.883 10.150 2.169 1.00 0.00 H new ATOM 0 HA ASP A 110 10.939 10.434 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.395 11.158 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.984 12.298 3.135 1.00 0.00 H new ATOM 1740 N GLY A 111 9.170 10.847 2.488 1.00 0.00 N ATOM 1741 CA GLY A 111 8.129 11.338 1.533 1.00 0.00 C ATOM 1742 C GLY A 111 8.403 11.226 0.006 1.00 0.00 C ATOM 1743 O GLY A 111 7.454 11.117 -0.772 1.00 0.00 O ATOM 0 H GLY A 111 8.975 9.926 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.206 10.797 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.942 12.388 1.759 1.00 0.00 H new ATOM 1747 N LYS A 112 9.673 11.296 -0.425 1.00 0.00 N ATOM 1748 CA LYS A 112 10.056 11.360 -1.860 1.00 0.00 C ATOM 1749 C LYS A 112 10.362 9.949 -2.449 1.00 0.00 C ATOM 1750 O LYS A 112 10.925 9.068 -1.789 1.00 0.00 O ATOM 1751 CB LYS A 112 11.296 12.284 -2.037 1.00 0.00 C ATOM 1752 CG LYS A 112 11.120 13.757 -1.599 1.00 0.00 C ATOM 1753 CD LYS A 112 12.303 14.638 -2.041 1.00 0.00 C ATOM 1754 CE LYS A 112 12.248 16.042 -1.421 1.00 0.00 C ATOM 1755 NZ LYS A 112 13.283 16.894 -2.037 1.00 0.00 N ATOM 0 H LYS A 112 10.472 11.310 0.209 1.00 0.00 H new ATOM 0 HA LYS A 112 9.207 11.769 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.125 11.856 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.585 12.272 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.196 14.152 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.020 13.803 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.238 14.155 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.304 14.723 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.262 16.481 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.405 15.982 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.757 17.453 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.982 16.296 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.840 17.535 -2.726 1.00 0.00 H new ATOM 1768 N MET A 113 10.051 9.782 -3.741 1.00 0.00 N ATOM 1769 CA MET A 113 10.461 8.598 -4.534 1.00 0.00 C ATOM 1770 C MET A 113 11.964 8.708 -4.950 1.00 0.00 C ATOM 1771 O MET A 113 12.345 9.531 -5.792 1.00 0.00 O ATOM 1772 CB MET A 113 9.464 8.514 -5.724 1.00 0.00 C ATOM 1773 CG MET A 113 9.837 7.604 -6.914 1.00 0.00 C ATOM 1774 SD MET A 113 9.598 5.874 -6.491 1.00 0.00 S ATOM 1775 CE MET A 113 7.984 5.648 -7.249 1.00 0.00 C ATOM 0 H MET A 113 9.507 10.461 -4.274 1.00 0.00 H new ATOM 0 HA MET A 113 10.411 7.668 -3.967 1.00 0.00 H new ATOM 0 HB2 MET A 113 8.504 8.177 -5.333 1.00 0.00 H new ATOM 0 HB3 MET A 113 9.315 9.523 -6.108 1.00 0.00 H new ATOM 0 HG2 MET A 113 9.225 7.860 -7.779 1.00 0.00 H new ATOM 0 HG3 MET A 113 10.876 7.774 -7.197 1.00 0.00 H new ATOM 0 HE1 MET A 113 7.706 4.595 -7.206 1.00 0.00 H new ATOM 0 HE2 MET A 113 7.244 6.241 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 113 8.022 5.971 -8.289 1.00 0.00 H new ATOM 1785 N VAL A 114 12.796 7.813 -4.398 1.00 0.00 N ATOM 1786 CA VAL A 114 14.167 7.559 -4.924 1.00 0.00 C ATOM 1787 C VAL A 114 14.028 6.441 -6.014 1.00 0.00 C ATOM 1788 O VAL A 114 13.802 5.268 -5.689 1.00 0.00 O ATOM 1789 CB VAL A 114 15.158 7.187 -3.765 1.00 0.00 C ATOM 1790 CG1 VAL A 114 16.606 6.987 -4.265 1.00 0.00 C ATOM 1791 CG2 VAL A 114 15.229 8.216 -2.610 1.00 0.00 C ATOM 0 H VAL A 114 12.553 7.246 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 114 14.599 8.451 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 114 14.735 6.258 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.250 6.731 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.630 6.180 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.962 7.908 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.939 7.871 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.554 9.180 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 114 14.244 8.322 -2.156 1.00 0.00 H new ATOM 1801 N MET A 115 14.129 6.819 -7.303 1.00 0.00 N ATOM 1802 CA MET A 115 14.089 5.858 -8.437 1.00 0.00 C ATOM 1803 C MET A 115 15.539 5.599 -8.951 1.00 0.00 C ATOM 1804 O MET A 115 16.129 6.428 -9.647 1.00 0.00 O ATOM 1805 CB MET A 115 13.104 6.413 -9.499 1.00 0.00 C ATOM 1806 CG MET A 115 12.922 5.526 -10.741 1.00 0.00 C ATOM 1807 SD MET A 115 11.527 6.138 -11.702 1.00 0.00 S ATOM 1808 CE MET A 115 11.948 5.458 -13.311 1.00 0.00 C ATOM 0 H MET A 115 14.240 7.791 -7.593 1.00 0.00 H new ATOM 0 HA MET A 115 13.713 4.878 -8.143 1.00 0.00 H new ATOM 0 HB2 MET A 115 12.131 6.559 -9.029 1.00 0.00 H new ATOM 0 HB3 MET A 115 13.454 7.394 -9.820 1.00 0.00 H new ATOM 0 HG2 MET A 115 13.829 5.535 -11.346 1.00 0.00 H new ATOM 0 HG3 MET A 115 12.749 4.492 -10.443 1.00 0.00 H new ATOM 0 HE1 MET A 115 11.150 5.680 -14.020 1.00 0.00 H new ATOM 0 HE2 MET A 115 12.879 5.903 -13.662 1.00 0.00 H new ATOM 0 HE3 MET A 115 12.070 4.378 -13.229 1.00 0.00 H new ATOM 1818 N THR A 116 16.107 4.440 -8.595 1.00 0.00 N ATOM 1819 CA THR A 116 17.533 4.106 -8.873 1.00 0.00 C ATOM 1820 C THR A 116 17.605 3.114 -10.079 1.00 0.00 C ATOM 1821 O THR A 116 17.310 1.922 -9.949 1.00 0.00 O ATOM 1822 CB THR A 116 18.159 3.592 -7.542 1.00 0.00 C ATOM 1823 OG1 THR A 116 18.178 4.636 -6.573 1.00 0.00 O ATOM 1824 CG2 THR A 116 19.610 3.112 -7.635 1.00 0.00 C ATOM 0 H THR A 116 15.603 3.700 -8.106 1.00 0.00 H new ATOM 0 HA THR A 116 18.124 4.967 -9.186 1.00 0.00 H new ATOM 0 HB THR A 116 17.527 2.745 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.572 4.302 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 116 19.946 2.776 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 116 19.675 2.286 -8.343 1.00 0.00 H new ATOM 0 HG23 THR A 116 20.243 3.932 -7.975 1.00 0.00 H new ATOM 1832 N LEU A 117 17.996 3.618 -11.260 1.00 0.00 N ATOM 1833 CA LEU A 117 18.051 2.820 -12.515 1.00 0.00 C ATOM 1834 C LEU A 117 19.498 2.268 -12.714 1.00 0.00 C ATOM 1835 O LEU A 117 20.410 3.025 -13.066 1.00 0.00 O ATOM 1836 CB LEU A 117 17.617 3.651 -13.762 1.00 0.00 C ATOM 1837 CG LEU A 117 16.213 4.316 -13.824 1.00 0.00 C ATOM 1838 CD1 LEU A 117 16.157 5.648 -13.058 1.00 0.00 C ATOM 1839 CD2 LEU A 117 15.829 4.612 -15.285 1.00 0.00 C ATOM 0 H LEU A 117 18.285 4.589 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 117 17.345 1.995 -12.419 1.00 0.00 H new ATOM 0 HB2 LEU A 117 18.353 4.444 -13.891 1.00 0.00 H new ATOM 0 HB3 LEU A 117 17.700 2.995 -14.629 1.00 0.00 H new ATOM 0 HG LEU A 117 15.522 3.610 -13.364 1.00 0.00 H new ATOM 0 HD11 LEU A 117 15.155 6.069 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.400 5.475 -12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.877 6.345 -13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.844 5.078 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.563 5.287 -15.724 1.00 0.00 H new ATOM 0 HD23 LEU A 117 15.808 3.681 -15.851 1.00 0.00 H new ATOM 1851 N THR A 118 19.715 0.961 -12.488 1.00 0.00 N ATOM 1852 CA THR A 118 21.060 0.331 -12.639 1.00 0.00 C ATOM 1853 C THR A 118 21.188 -0.480 -13.966 1.00 0.00 C ATOM 1854 O THR A 118 20.312 -1.276 -14.330 1.00 0.00 O ATOM 1855 CB THR A 118 21.457 -0.479 -11.370 1.00 0.00 C ATOM 1856 OG1 THR A 118 22.817 -0.882 -11.496 1.00 0.00 O ATOM 1857 CG2 THR A 118 20.639 -1.742 -11.055 1.00 0.00 C ATOM 0 H THR A 118 18.983 0.311 -12.200 1.00 0.00 H new ATOM 0 HA THR A 118 21.792 1.134 -12.724 1.00 0.00 H new ATOM 0 HB THR A 118 21.259 0.209 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.082 -1.392 -10.702 1.00 0.00 H new ATOM 0 HG21 THR A 118 21.023 -2.207 -10.147 1.00 0.00 H new ATOM 0 HG22 THR A 118 19.593 -1.471 -10.910 1.00 0.00 H new ATOM 0 HG23 THR A 118 20.721 -2.445 -11.884 1.00 0.00 H new ATOM 1865 N PHE A 119 22.310 -0.286 -14.677 1.00 0.00 N ATOM 1866 CA PHE A 119 22.782 -1.234 -15.723 1.00 0.00 C ATOM 1867 C PHE A 119 24.153 -1.839 -15.280 1.00 0.00 C ATOM 1868 O PHE A 119 25.226 -1.392 -15.706 1.00 0.00 O ATOM 1869 CB PHE A 119 22.791 -0.486 -17.087 1.00 0.00 C ATOM 1870 CG PHE A 119 23.049 -1.363 -18.321 1.00 0.00 C ATOM 1871 CD1 PHE A 119 22.145 -2.375 -18.658 1.00 0.00 C ATOM 1872 CD2 PHE A 119 24.160 -1.140 -19.138 1.00 0.00 C ATOM 1873 CE1 PHE A 119 22.350 -3.155 -19.790 1.00 0.00 C ATOM 1874 CE2 PHE A 119 24.361 -1.918 -20.278 1.00 0.00 C ATOM 1875 CZ PHE A 119 23.452 -2.920 -20.607 1.00 0.00 C ATOM 0 H PHE A 119 22.918 0.523 -14.552 1.00 0.00 H new ATOM 0 HA PHE A 119 22.119 -2.090 -15.851 1.00 0.00 H new ATOM 0 HB2 PHE A 119 21.831 0.015 -17.213 1.00 0.00 H new ATOM 0 HB3 PHE A 119 23.554 0.292 -17.050 1.00 0.00 H new ATOM 0 HD1 PHE A 119 21.281 -2.552 -18.034 1.00 0.00 H new ATOM 0 HD2 PHE A 119 24.866 -0.362 -18.886 1.00 0.00 H new ATOM 0 HE1 PHE A 119 21.654 -3.944 -20.036 1.00 0.00 H new ATOM 0 HE2 PHE A 119 25.222 -1.743 -20.906 1.00 0.00 H new ATOM 0 HZ PHE A 119 23.602 -3.515 -21.496 1.00 0.00 H new ATOM 1885 N GLY A 120 24.102 -2.842 -14.380 1.00 0.00 N ATOM 1886 CA GLY A 120 25.316 -3.460 -13.780 1.00 0.00 C ATOM 1887 C GLY A 120 26.107 -2.544 -12.820 1.00 0.00 C ATOM 1888 O GLY A 120 25.797 -2.452 -11.631 1.00 0.00 O ATOM 0 H GLY A 120 23.228 -3.248 -14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 120 25.019 -4.358 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 120 25.979 -3.778 -14.585 1.00 0.00 H new ATOM 1892 N ASP A 121 27.119 -1.865 -13.375 1.00 0.00 N ATOM 1893 CA ASP A 121 27.885 -0.807 -12.655 1.00 0.00 C ATOM 1894 C ASP A 121 27.301 0.648 -12.755 1.00 0.00 C ATOM 1895 O ASP A 121 27.520 1.439 -11.833 1.00 0.00 O ATOM 1896 CB ASP A 121 29.345 -0.912 -13.177 1.00 0.00 C ATOM 1897 CG ASP A 121 30.374 -0.111 -12.380 1.00 0.00 C ATOM 1898 OD1 ASP A 121 30.887 -0.505 -11.338 1.00 0.00 O ATOM 1899 OD2 ASP A 121 30.652 1.092 -12.953 1.00 0.00 O ATOM 0 H ASP A 121 27.439 -2.023 -14.331 1.00 0.00 H new ATOM 0 HA ASP A 121 27.819 -0.988 -11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 121 29.642 -1.961 -13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 121 29.369 -0.577 -14.214 1.00 0.00 H new ATOM 1905 N VAL A 122 26.623 1.033 -13.854 1.00 0.00 N ATOM 1906 CA VAL A 122 26.239 2.454 -14.118 1.00 0.00 C ATOM 1907 C VAL A 122 24.823 2.733 -13.503 1.00 0.00 C ATOM 1908 O VAL A 122 23.812 2.183 -13.955 1.00 0.00 O ATOM 1909 CB VAL A 122 26.354 2.801 -15.643 1.00 0.00 C ATOM 1910 CG1 VAL A 122 26.099 4.301 -15.913 1.00 0.00 C ATOM 1911 CG2 VAL A 122 27.734 2.485 -16.275 1.00 0.00 C ATOM 0 H VAL A 122 26.324 0.384 -14.582 1.00 0.00 H new ATOM 0 HA VAL A 122 26.939 3.128 -13.624 1.00 0.00 H new ATOM 0 HB VAL A 122 25.594 2.165 -16.098 1.00 0.00 H new ATOM 0 HG11 VAL A 122 26.188 4.499 -16.981 1.00 0.00 H new ATOM 0 HG12 VAL A 122 25.096 4.566 -15.577 1.00 0.00 H new ATOM 0 HG13 VAL A 122 26.832 4.898 -15.371 1.00 0.00 H new ATOM 0 HG21 VAL A 122 27.722 2.757 -17.330 1.00 0.00 H new ATOM 0 HG22 VAL A 122 28.508 3.056 -15.762 1.00 0.00 H new ATOM 0 HG23 VAL A 122 27.944 1.420 -16.177 1.00 0.00 H new ATOM 1921 N VAL A 123 24.781 3.579 -12.458 1.00 0.00 N ATOM 1922 CA VAL A 123 23.573 3.767 -11.599 1.00 0.00 C ATOM 1923 C VAL A 123 23.039 5.233 -11.759 1.00 0.00 C ATOM 1924 O VAL A 123 23.676 6.189 -11.303 1.00 0.00 O ATOM 1925 CB VAL A 123 23.921 3.400 -10.109 1.00 0.00 C ATOM 1926 CG1 VAL A 123 22.718 3.563 -9.157 1.00 0.00 C ATOM 1927 CG2 VAL A 123 24.436 1.954 -9.901 1.00 0.00 C ATOM 0 H VAL A 123 25.575 4.155 -12.177 1.00 0.00 H new ATOM 0 HA VAL A 123 22.772 3.098 -11.913 1.00 0.00 H new ATOM 0 HB VAL A 123 24.717 4.108 -9.876 1.00 0.00 H new ATOM 0 HG11 VAL A 123 23.017 3.296 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 123 22.378 4.599 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 123 21.907 2.910 -9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 123 24.650 1.792 -8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 123 23.675 1.246 -10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 123 25.346 1.805 -10.482 1.00 0.00 H new ATOM 1937 N ALA A 124 21.841 5.405 -12.349 1.00 0.00 N ATOM 1938 CA ALA A 124 21.181 6.731 -12.470 1.00 0.00 C ATOM 1939 C ALA A 124 20.064 6.938 -11.402 1.00 0.00 C ATOM 1940 O ALA A 124 19.012 6.291 -11.449 1.00 0.00 O ATOM 1941 CB ALA A 124 20.629 6.836 -13.900 1.00 0.00 C ATOM 0 H ALA A 124 21.302 4.639 -12.754 1.00 0.00 H new ATOM 0 HA ALA A 124 21.905 7.524 -12.282 1.00 0.00 H new ATOM 0 HB1 ALA A 124 20.135 7.799 -14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 124 21.448 6.750 -14.614 1.00 0.00 H new ATOM 0 HB3 ALA A 124 19.911 6.034 -14.073 1.00 0.00 H new ATOM 1947 N VAL A 125 20.280 7.859 -10.445 1.00 0.00 N ATOM 1948 CA VAL A 125 19.307 8.114 -9.336 1.00 0.00 C ATOM 1949 C VAL A 125 18.367 9.299 -9.744 1.00 0.00 C ATOM 1950 O VAL A 125 18.791 10.459 -9.801 1.00 0.00 O ATOM 1951 CB VAL A 125 20.025 8.345 -7.959 1.00 0.00 C ATOM 1952 CG1 VAL A 125 19.015 8.421 -6.789 1.00 0.00 C ATOM 1953 CG2 VAL A 125 21.059 7.260 -7.569 1.00 0.00 C ATOM 0 H VAL A 125 21.114 8.444 -10.406 1.00 0.00 H new ATOM 0 HA VAL A 125 18.693 7.226 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 125 20.548 9.289 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 125 19.552 8.581 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 125 18.325 9.248 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 125 18.455 7.487 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 125 21.500 7.508 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 125 20.563 6.292 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 125 21.843 7.216 -8.325 1.00 0.00 H new ATOM 1963 N ARG A 126 17.090 9.001 -10.026 1.00 0.00 N ATOM 1964 CA ARG A 126 16.065 10.023 -10.366 1.00 0.00 C ATOM 1965 C ARG A 126 15.205 10.376 -9.110 1.00 0.00 C ATOM 1966 O ARG A 126 14.546 9.521 -8.508 1.00 0.00 O ATOM 1967 CB ARG A 126 15.206 9.524 -11.555 1.00 0.00 C ATOM 1968 CG ARG A 126 15.926 9.493 -12.924 1.00 0.00 C ATOM 1969 CD ARG A 126 15.023 9.062 -14.102 1.00 0.00 C ATOM 1970 NE ARG A 126 14.209 10.182 -14.664 1.00 0.00 N ATOM 1971 CZ ARG A 126 14.630 11.054 -15.589 1.00 0.00 C ATOM 1972 NH1 ARG A 126 15.830 11.064 -16.092 1.00 0.00 N ATOM 1973 NH2 ARG A 126 13.813 11.957 -16.028 1.00 0.00 N ATOM 0 H ARG A 126 16.730 8.047 -10.027 1.00 0.00 H new ATOM 0 HA ARG A 126 16.554 10.946 -10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.849 8.519 -11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.327 10.163 -11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 126 16.329 10.484 -13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 126 16.774 8.811 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.645 8.642 -14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.355 8.269 -13.767 1.00 0.00 H new ATOM 0 HE ARG A 126 13.257 10.291 -14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.518 10.377 -15.783 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.083 11.759 -16.795 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.859 11.999 -15.669 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.123 12.626 -16.733 1.00 0.00 H new ATOM 1987 N HIS A 127 15.231 11.659 -8.725 1.00 0.00 N ATOM 1988 CA HIS A 127 14.660 12.140 -7.436 1.00 0.00 C ATOM 1989 C HIS A 127 13.247 12.759 -7.684 1.00 0.00 C ATOM 1990 O HIS A 127 13.124 13.865 -8.222 1.00 0.00 O ATOM 1991 CB HIS A 127 15.640 13.169 -6.799 1.00 0.00 C ATOM 1992 CG HIS A 127 17.030 12.647 -6.418 1.00 0.00 C ATOM 1993 ND1 HIS A 127 18.101 12.615 -7.290 1.00 0.00 N ATOM 1994 CD2 HIS A 127 17.416 12.132 -5.170 1.00 0.00 C ATOM 1995 CE1 HIS A 127 19.051 12.051 -6.483 1.00 0.00 C ATOM 1996 NE2 HIS A 127 18.746 11.731 -5.184 1.00 0.00 N ATOM 0 H HIS A 127 15.645 12.401 -9.290 1.00 0.00 H new ATOM 0 HA HIS A 127 14.538 11.310 -6.740 1.00 0.00 H new ATOM 0 HB2 HIS A 127 15.766 13.997 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 127 15.172 13.576 -5.903 1.00 0.00 H new ATOM 0 HD1 HIS A 127 18.165 12.924 -8.260 1.00 0.00 H new ATOM 0 HD2 HIS A 127 16.764 12.057 -4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 127 20.041 11.858 -6.868 1.00 0.00 H new ATOM 2004 N TYR A 128 12.182 12.037 -7.311 1.00 0.00 N ATOM 2005 CA TYR A 128 10.783 12.396 -7.674 1.00 0.00 C ATOM 2006 C TYR A 128 9.974 12.886 -6.424 1.00 0.00 C ATOM 2007 O TYR A 128 9.848 12.176 -5.420 1.00 0.00 O ATOM 2008 CB TYR A 128 10.137 11.134 -8.315 1.00 0.00 C ATOM 2009 CG TYR A 128 10.428 10.838 -9.797 1.00 0.00 C ATOM 2010 CD1 TYR A 128 9.628 11.403 -10.793 1.00 0.00 C ATOM 2011 CD2 TYR A 128 11.426 9.927 -10.160 1.00 0.00 C ATOM 2012 CE1 TYR A 128 9.836 11.085 -12.133 1.00 0.00 C ATOM 2013 CE2 TYR A 128 11.630 9.606 -11.501 1.00 0.00 C ATOM 2014 CZ TYR A 128 10.851 10.200 -12.488 1.00 0.00 C ATOM 2015 OH TYR A 128 11.085 9.913 -13.807 1.00 0.00 O ATOM 0 H TYR A 128 12.254 11.188 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 128 10.774 13.226 -8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 128 10.453 10.267 -7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.056 11.218 -8.199 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.842 12.092 -10.522 1.00 0.00 H new ATOM 0 HD2 TYR A 128 12.041 9.471 -9.398 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.211 11.524 -12.896 1.00 0.00 H new ATOM 0 HE2 TYR A 128 12.395 8.894 -11.774 1.00 0.00 H new ATOM 0 HH TYR A 128 10.247 9.982 -14.311 1.00 0.00 H new ATOM 2025 N GLU A 129 9.380 14.088 -6.519 1.00 0.00 N ATOM 2026 CA GLU A 129 8.428 14.619 -5.494 1.00 0.00 C ATOM 2027 C GLU A 129 6.932 14.372 -5.884 1.00 0.00 C ATOM 2028 O GLU A 129 6.585 14.261 -7.065 1.00 0.00 O ATOM 2029 CB GLU A 129 8.687 16.144 -5.312 1.00 0.00 C ATOM 2030 CG GLU A 129 9.929 16.521 -4.465 1.00 0.00 C ATOM 2031 CD GLU A 129 10.157 18.030 -4.298 1.00 0.00 C ATOM 2032 OE1 GLU A 129 9.380 18.896 -4.694 1.00 0.00 O ATOM 2033 OE2 GLU A 129 11.335 18.305 -3.662 1.00 0.00 O ATOM 0 H GLU A 129 9.537 14.726 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 129 8.603 14.086 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.793 16.596 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.806 16.590 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.829 16.071 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.814 16.082 -4.927 1.00 0.00 H new ATOM 2041 N LYS A 130 6.030 14.334 -4.882 1.00 0.00 N ATOM 2042 CA LYS A 130 4.558 14.298 -5.129 1.00 0.00 C ATOM 2043 C LYS A 130 4.009 15.673 -5.640 1.00 0.00 C ATOM 2044 O LYS A 130 4.277 16.722 -5.043 1.00 0.00 O ATOM 2045 CB LYS A 130 3.786 13.890 -3.842 1.00 0.00 C ATOM 2046 CG LYS A 130 3.998 12.443 -3.348 1.00 0.00 C ATOM 2047 CD LYS A 130 3.025 12.048 -2.222 1.00 0.00 C ATOM 2048 CE LYS A 130 3.276 10.620 -1.711 1.00 0.00 C ATOM 2049 NZ LYS A 130 2.288 10.270 -0.674 1.00 0.00 N ATOM 0 H LYS A 130 6.285 14.327 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 130 4.396 13.552 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 130 4.073 14.571 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 130 2.721 14.038 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 130 3.875 11.756 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.022 12.332 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 130 3.125 12.751 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 130 2.000 12.127 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.212 9.913 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 130 4.284 10.543 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 2.467 9.303 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 2.369 10.935 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 1.330 10.325 -1.075 1.00 0.00 H new ATOM 2062 N ALA A 131 3.219 15.639 -6.722 1.00 0.00 N ATOM 2063 CA ALA A 131 2.459 16.813 -7.210 1.00 0.00 C ATOM 2064 C ALA A 131 1.036 16.896 -6.596 1.00 0.00 C ATOM 2065 O ALA A 131 0.251 15.918 -6.689 1.00 0.00 O ATOM 2066 CB ALA A 131 2.388 16.693 -8.737 1.00 0.00 C ATOM 2067 OXT ALA A 131 0.694 17.960 -6.032 1.00 0.00 O ATOM 0 H ALA A 131 3.085 14.801 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 131 2.964 17.730 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 131 1.835 17.540 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.397 16.688 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 131 1.882 15.766 -9.006 1.00 0.00 H new TER 2073 ALA A 131