USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1018 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 99 ASN : amide:sc= -1.49 K(o=-3.2,f=-6.5) USER MOD Set 1.2: A 102 MET CE :methyl 161:sc= -1.74 (180deg=-2.47!) USER MOD Set 2.1: A 13 SER OG : rot 103:sc= 1.21 USER MOD Set 2.2: A 32 THR OG1 : rot 96:sc= 1.22 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 2 SER OG : rot -63:sc= 0.836 USER MOD Set 4.2: A 3 HIS : no HD1:sc= 0.733 K(o=1.6,f=-0.63) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 19 ASN : amide:sc= -0.84 K(o=-0.84,f=-2.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 42:sc= -1.13 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= 0.265 (180deg=-2.57!) USER MOD Single : A 38 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-3.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.225) USER MOD Single : A 49 GLN : amide:sc= -0.776 K(o=-0.78,f=-3.1) USER MOD Single : A 51 THR OG1 : rot 1:sc= 2.16 USER MOD Single : A 54 SER OG : rot 80:sc= 0.193 USER MOD Single : A 55 SER OG : rot 23:sc= -0.301 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -108:sc= -3.87 (180deg=-5.26!) USER MOD Single : A 59 MET CE :methyl -175:sc= -4.21! (180deg=-4.74!) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0.0117 (180deg=0.00806) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= -1.77 (180deg=-4.63!) USER MOD Single : A 75 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.7) USER MOD Single : A 78 ASN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -126:sc= -2.06 (180deg=-7.15!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 93 ASN : amide:sc= -2.34 K(o=-2.3,f=-3.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 97 MET CE :methyl 169:sc= -5.17! (180deg=-6.88!) USER MOD Single : A 101 LYS NZ :NH3+ -114:sc= 0.252 (180deg=-4.26!) USER MOD Single : A 103 THR OG1 : rot -130:sc= 0.00796 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 SER OG : rot -55:sc= 0.0666 USER MOD Single : A 111 TYR OH : rot 90:sc= -0.1 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.906 -5.729 9.930 1.00 0.00 N ATOM 2 CA PRO A 1 -13.309 -4.406 10.191 1.00 0.00 C ATOM 3 C PRO A 1 -12.071 -4.508 11.082 1.00 0.00 C ATOM 4 O PRO A 1 -11.922 -5.461 11.846 1.00 0.00 O ATOM 5 CB PRO A 1 -14.389 -3.568 10.866 1.00 0.00 C ATOM 6 CG PRO A 1 -15.428 -4.562 11.293 1.00 0.00 C ATOM 7 CD PRO A 1 -15.310 -5.758 10.367 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.377 -6.450 10.421 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.850 -5.943 8.934 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.976 -3.951 9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.990 -3.020 11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.805 -2.830 10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.272 -4.861 12.330 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -16.425 -4.126 11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.549 -6.688 10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.993 -5.678 9.522 1.00 0.00 H new ATOM 17 N SER A 2 -11.190 -3.519 10.975 1.00 0.00 N ATOM 18 CA SER A 2 -9.966 -3.497 11.768 1.00 0.00 C ATOM 19 C SER A 2 -9.094 -4.710 11.463 1.00 0.00 C ATOM 20 O SER A 2 -9.473 -5.847 11.745 1.00 0.00 O ATOM 21 CB SER A 2 -10.302 -3.457 13.260 1.00 0.00 C ATOM 22 OG SER A 2 -9.211 -2.961 14.016 1.00 0.00 O ATOM 0 H SER A 2 -11.300 -2.723 10.347 1.00 0.00 H new ATOM 0 HA SER A 2 -9.408 -2.599 11.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.177 -2.827 13.422 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.562 -4.458 13.604 1.00 0.00 H new ATOM 0 HG SER A 2 -8.446 -3.567 13.923 1.00 0.00 H new ATOM 28 N HIS A 3 -7.922 -4.459 10.886 1.00 0.00 N ATOM 29 CA HIS A 3 -6.992 -5.531 10.543 1.00 0.00 C ATOM 30 C HIS A 3 -7.585 -6.449 9.484 1.00 0.00 C ATOM 31 O HIS A 3 -7.306 -7.647 9.451 1.00 0.00 O ATOM 32 CB HIS A 3 -6.618 -6.324 11.791 1.00 0.00 C ATOM 33 CG HIS A 3 -6.053 -5.464 12.876 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.837 -4.813 13.803 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.775 -5.131 13.165 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.067 -4.114 14.615 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.809 -4.291 14.250 1.00 0.00 N ATOM 0 H HIS A 3 -7.594 -3.523 10.646 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.089 -5.082 10.130 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.502 -6.841 12.166 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.890 -7.090 11.525 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.892 -5.464 12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.407 -3.502 15.437 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.996 -3.872 14.701 1.00 0.00 H new ATOM 46 N SER A 4 -8.392 -5.863 8.611 1.00 0.00 N ATOM 47 CA SER A 4 -9.028 -6.598 7.525 1.00 0.00 C ATOM 48 C SER A 4 -9.940 -5.684 6.723 1.00 0.00 C ATOM 49 O SER A 4 -10.334 -4.615 7.189 1.00 0.00 O ATOM 50 CB SER A 4 -9.827 -7.793 8.047 1.00 0.00 C ATOM 51 OG SER A 4 -10.829 -7.379 8.961 1.00 0.00 O ATOM 0 H SER A 4 -8.624 -4.870 8.634 1.00 0.00 H new ATOM 0 HA SER A 4 -8.234 -6.973 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.288 -8.319 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.155 -8.498 8.535 1.00 0.00 H new ATOM 0 HG SER A 4 -11.326 -8.162 9.278 1.00 0.00 H new ATOM 57 N GLY A 5 -10.275 -6.114 5.516 1.00 0.00 N ATOM 58 CA GLY A 5 -11.141 -5.327 4.668 1.00 0.00 C ATOM 59 C GLY A 5 -11.073 -5.757 3.225 1.00 0.00 C ATOM 60 O GLY A 5 -10.028 -5.657 2.583 1.00 0.00 O ATOM 0 H GLY A 5 -9.961 -6.995 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.168 -5.412 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.864 -4.276 4.745 1.00 0.00 H new ATOM 64 N ALA A 6 -12.196 -6.244 2.718 1.00 0.00 N ATOM 65 CA ALA A 6 -12.276 -6.703 1.341 1.00 0.00 C ATOM 66 C ALA A 6 -11.645 -5.700 0.382 1.00 0.00 C ATOM 67 O ALA A 6 -12.222 -4.655 0.082 1.00 0.00 O ATOM 68 CB ALA A 6 -13.718 -6.989 0.974 1.00 0.00 C ATOM 0 H ALA A 6 -13.067 -6.331 3.242 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.707 -7.628 1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.769 -7.332 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.115 -7.761 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.309 -6.079 1.084 1.00 0.00 H new ATOM 74 N ALA A 7 -10.440 -6.026 -0.078 1.00 0.00 N ATOM 75 CA ALA A 7 -9.698 -5.155 -0.988 1.00 0.00 C ATOM 76 C ALA A 7 -9.421 -5.838 -2.326 1.00 0.00 C ATOM 77 O ALA A 7 -9.307 -7.058 -2.399 1.00 0.00 O ATOM 78 CB ALA A 7 -8.385 -4.737 -0.342 1.00 0.00 C ATOM 0 H ALA A 7 -9.955 -6.890 0.165 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.312 -4.276 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.835 -4.088 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.590 -4.200 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.789 -5.623 -0.124 1.00 0.00 H new ATOM 84 N ILE A 8 -9.292 -5.041 -3.383 1.00 0.00 N ATOM 85 CA ILE A 8 -9.005 -5.580 -4.708 1.00 0.00 C ATOM 86 C ILE A 8 -7.526 -5.445 -5.026 1.00 0.00 C ATOM 87 O ILE A 8 -6.960 -4.354 -4.964 1.00 0.00 O ATOM 88 CB ILE A 8 -9.846 -4.892 -5.808 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.210 -5.569 -5.907 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.150 -4.920 -7.165 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.352 -4.661 -5.551 1.00 0.00 C ATOM 0 H ILE A 8 -9.381 -4.025 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.277 -6.635 -4.693 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.969 -3.846 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.352 -5.938 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.226 -6.437 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.778 -4.426 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.194 -4.401 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.980 -5.954 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.292 -5.205 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.233 -4.312 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.361 -3.806 -6.227 1.00 0.00 H new ATOM 103 N PHE A 9 -6.909 -6.563 -5.367 1.00 0.00 N ATOM 104 CA PHE A 9 -5.488 -6.571 -5.699 1.00 0.00 C ATOM 105 C PHE A 9 -5.269 -6.908 -7.170 1.00 0.00 C ATOM 106 O PHE A 9 -5.810 -7.888 -7.678 1.00 0.00 O ATOM 107 CB PHE A 9 -4.735 -7.566 -4.818 1.00 0.00 C ATOM 108 CG PHE A 9 -3.247 -7.360 -4.826 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.708 -6.106 -4.583 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.387 -8.417 -5.078 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.340 -5.911 -4.590 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.018 -8.227 -5.088 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.494 -6.972 -4.843 1.00 0.00 C ATOM 0 H PHE A 9 -7.364 -7.474 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.099 -5.570 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.101 -7.483 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.956 -8.579 -5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.365 -5.272 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.791 -9.400 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.933 -4.929 -4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.358 -9.059 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.575 -6.822 -4.849 1.00 0.00 H new ATOM 123 N GLU A 10 -4.469 -6.090 -7.847 1.00 0.00 N ATOM 124 CA GLU A 10 -4.176 -6.304 -9.260 1.00 0.00 C ATOM 125 C GLU A 10 -5.457 -6.344 -10.081 1.00 0.00 C ATOM 126 O GLU A 10 -5.559 -7.097 -11.048 1.00 0.00 O ATOM 127 CB GLU A 10 -3.397 -7.607 -9.445 1.00 0.00 C ATOM 128 CG GLU A 10 -2.145 -7.689 -8.589 1.00 0.00 C ATOM 129 CD GLU A 10 -1.341 -8.949 -8.848 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.865 -9.861 -9.523 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.186 -9.023 -8.378 1.00 0.00 O ATOM 0 H GLU A 10 -4.012 -5.274 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.568 -5.470 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.048 -8.448 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.118 -7.709 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.520 -6.818 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.426 -7.652 -7.537 1.00 0.00 H new ATOM 138 N LYS A 11 -6.443 -5.540 -9.677 1.00 0.00 N ATOM 139 CA LYS A 11 -7.726 -5.500 -10.369 1.00 0.00 C ATOM 140 C LYS A 11 -8.560 -6.728 -10.015 1.00 0.00 C ATOM 141 O LYS A 11 -9.681 -6.890 -10.500 1.00 0.00 O ATOM 142 CB LYS A 11 -7.532 -5.413 -11.886 1.00 0.00 C ATOM 143 CG LYS A 11 -6.497 -4.384 -12.310 1.00 0.00 C ATOM 144 CD LYS A 11 -6.435 -4.246 -13.823 1.00 0.00 C ATOM 145 CE LYS A 11 -5.305 -3.323 -14.252 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.560 -1.911 -13.853 1.00 0.00 N ATOM 0 H LYS A 11 -6.375 -4.911 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.256 -4.606 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.234 -6.392 -12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.487 -5.169 -12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.739 -3.419 -11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.517 -4.674 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.295 -5.229 -14.274 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.384 -3.858 -14.193 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.370 -3.663 -13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.182 -3.378 -15.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.792 -1.306 -14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.465 -1.594 -14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.601 -1.845 -12.816 1.00 0.00 H new ATOM 160 N VAL A 12 -8.013 -7.582 -9.151 1.00 0.00 N ATOM 161 CA VAL A 12 -8.711 -8.775 -8.717 1.00 0.00 C ATOM 162 C VAL A 12 -9.318 -8.538 -7.356 1.00 0.00 C ATOM 163 O VAL A 12 -8.873 -7.672 -6.607 1.00 0.00 O ATOM 164 CB VAL A 12 -7.781 -10.003 -8.671 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.426 -11.162 -7.920 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.436 -10.416 -10.080 1.00 0.00 C ATOM 0 H VAL A 12 -7.087 -7.463 -8.741 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.496 -8.986 -9.443 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.872 -9.733 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.743 -12.012 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.645 -10.856 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.352 -11.448 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.778 -11.285 -10.054 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.349 -10.669 -10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.931 -9.594 -10.587 1.00 0.00 H new ATOM 176 N SER A 13 -10.345 -9.290 -7.044 1.00 0.00 N ATOM 177 CA SER A 13 -11.017 -9.120 -5.769 1.00 0.00 C ATOM 178 C SER A 13 -10.558 -10.130 -4.727 1.00 0.00 C ATOM 179 O SER A 13 -10.189 -11.259 -5.047 1.00 0.00 O ATOM 180 CB SER A 13 -12.524 -9.195 -5.943 1.00 0.00 C ATOM 181 OG SER A 13 -12.925 -10.472 -6.408 1.00 0.00 O ATOM 0 H SER A 13 -10.734 -10.018 -7.643 1.00 0.00 H new ATOM 0 HA SER A 13 -10.746 -8.130 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.013 -8.981 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.849 -8.430 -6.648 1.00 0.00 H new ATOM 0 HG SER A 13 -13.304 -10.987 -5.665 1.00 0.00 H new ATOM 187 N GLY A 14 -10.593 -9.690 -3.478 1.00 0.00 N ATOM 188 CA GLY A 14 -10.188 -10.516 -2.359 1.00 0.00 C ATOM 189 C GLY A 14 -10.221 -9.717 -1.079 1.00 0.00 C ATOM 190 O GLY A 14 -10.560 -8.535 -1.098 1.00 0.00 O ATOM 0 H GLY A 14 -10.902 -8.754 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.851 -11.377 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.183 -10.903 -2.529 1.00 0.00 H new ATOM 194 N ILE A 15 -9.870 -10.334 0.039 1.00 0.00 N ATOM 195 CA ILE A 15 -9.868 -9.614 1.300 1.00 0.00 C ATOM 196 C ILE A 15 -8.448 -9.327 1.742 1.00 0.00 C ATOM 197 O ILE A 15 -7.551 -10.154 1.584 1.00 0.00 O ATOM 198 CB ILE A 15 -10.627 -10.360 2.430 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.130 -10.496 2.119 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.451 -9.623 3.759 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.532 -10.143 0.701 1.00 0.00 C ATOM 0 H ILE A 15 -9.588 -11.312 0.099 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.399 -8.679 1.120 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.202 -11.361 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.435 -11.523 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.686 -9.858 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.988 -10.155 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.392 -9.576 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.848 -8.612 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.608 -10.272 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.266 -9.106 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.011 -10.797 0.002 1.00 0.00 H new ATOM 213 N ILE A 16 -8.260 -8.147 2.303 1.00 0.00 N ATOM 214 CA ILE A 16 -6.960 -7.739 2.782 1.00 0.00 C ATOM 215 C ILE A 16 -6.968 -7.784 4.300 1.00 0.00 C ATOM 216 O ILE A 16 -7.757 -7.099 4.944 1.00 0.00 O ATOM 217 CB ILE A 16 -6.602 -6.313 2.278 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.386 -6.357 1.353 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.354 -5.347 3.425 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.008 -5.002 0.794 1.00 0.00 C ATOM 0 H ILE A 16 -8.997 -7.454 2.437 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.201 -8.420 2.396 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.462 -5.946 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.537 -6.766 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.591 -7.038 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.107 -4.363 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.251 -5.274 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.526 -5.710 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.138 -5.106 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.842 -4.600 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.772 -4.323 1.614 1.00 0.00 H new ATOM 232 N ALA A 17 -6.113 -8.618 4.863 1.00 0.00 N ATOM 233 CA ALA A 17 -6.051 -8.773 6.306 1.00 0.00 C ATOM 234 C ALA A 17 -4.669 -8.437 6.845 1.00 0.00 C ATOM 235 O ALA A 17 -3.653 -8.902 6.328 1.00 0.00 O ATOM 236 CB ALA A 17 -6.466 -10.185 6.687 1.00 0.00 C ATOM 0 H ALA A 17 -5.453 -9.198 4.345 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.746 -8.068 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.419 -10.298 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.485 -10.369 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.792 -10.902 6.217 1.00 0.00 H new ATOM 242 N ILE A 18 -4.644 -7.610 7.883 1.00 0.00 N ATOM 243 CA ILE A 18 -3.398 -7.184 8.501 1.00 0.00 C ATOM 244 C ILE A 18 -3.189 -7.874 9.845 1.00 0.00 C ATOM 245 O ILE A 18 -4.125 -8.026 10.629 1.00 0.00 O ATOM 246 CB ILE A 18 -3.387 -5.653 8.688 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.425 -4.963 7.322 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.169 -5.207 9.486 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.743 -3.486 7.396 1.00 0.00 C ATOM 0 H ILE A 18 -5.481 -7.219 8.316 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.581 -7.468 7.838 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.274 -5.365 9.253 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.460 -5.094 6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.170 -5.455 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.187 -4.123 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.186 -5.678 10.469 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.261 -5.500 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.753 -3.065 6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.721 -3.347 7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.985 -2.980 7.994 1.00 0.00 H new ATOM 261 N ASN A 19 -1.955 -8.291 10.102 1.00 0.00 N ATOM 262 CA ASN A 19 -1.622 -8.967 11.351 1.00 0.00 C ATOM 263 C ASN A 19 -0.380 -8.359 11.991 1.00 0.00 C ATOM 264 O ASN A 19 0.711 -8.403 11.420 1.00 0.00 O ATOM 265 CB ASN A 19 -1.402 -10.461 11.104 1.00 0.00 C ATOM 266 CG ASN A 19 -2.679 -11.176 10.709 1.00 0.00 C ATOM 267 OD1 ASN A 19 -3.758 -10.584 10.693 1.00 0.00 O ATOM 268 ND2 ASN A 19 -2.562 -12.460 10.387 1.00 0.00 N ATOM 0 H ASN A 19 -1.169 -8.173 9.463 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.460 -8.836 12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.658 -10.591 10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.996 -10.920 12.006 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.387 -12.994 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.648 -12.911 10.414 1.00 0.00 H new ATOM 275 N GLU A 20 -0.552 -7.795 13.183 1.00 0.00 N ATOM 276 CA GLU A 20 0.558 -7.184 13.904 1.00 0.00 C ATOM 277 C GLU A 20 1.199 -8.175 14.873 1.00 0.00 C ATOM 278 O GLU A 20 2.105 -7.818 15.626 1.00 0.00 O ATOM 279 CB GLU A 20 0.080 -5.945 14.664 1.00 0.00 C ATOM 280 CG GLU A 20 -0.539 -4.882 13.770 1.00 0.00 C ATOM 281 CD GLU A 20 -0.959 -3.644 14.538 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.927 -3.678 15.787 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.319 -2.639 13.891 1.00 0.00 O ATOM 0 H GLU A 20 -1.448 -7.749 13.669 1.00 0.00 H new ATOM 0 HA GLU A 20 1.310 -6.887 13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.651 -6.249 15.413 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.924 -5.510 15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.177 -4.600 12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.407 -5.301 13.262 1.00 0.00 H new ATOM 290 N ASP A 21 0.737 -9.420 14.838 1.00 0.00 N ATOM 291 CA ASP A 21 1.276 -10.458 15.705 1.00 0.00 C ATOM 292 C ASP A 21 2.594 -10.982 15.147 1.00 0.00 C ATOM 293 O ASP A 21 3.375 -11.616 15.857 1.00 0.00 O ATOM 294 CB ASP A 21 0.278 -11.608 15.838 1.00 0.00 C ATOM 295 CG ASP A 21 -1.003 -11.187 16.533 1.00 0.00 C ATOM 296 OD1 ASP A 21 -1.000 -10.124 17.189 1.00 0.00 O ATOM 297 OD2 ASP A 21 -2.009 -11.919 16.419 1.00 0.00 O ATOM 0 H ASP A 21 -0.010 -9.734 14.218 1.00 0.00 H new ATOM 0 HA ASP A 21 1.454 -10.026 16.690 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.040 -11.995 14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.739 -12.423 16.396 1.00 0.00 H new ATOM 302 N VAL A 22 2.834 -10.712 13.867 1.00 0.00 N ATOM 303 CA VAL A 22 4.053 -11.151 13.207 1.00 0.00 C ATOM 304 C VAL A 22 5.071 -10.019 13.138 1.00 0.00 C ATOM 305 O VAL A 22 4.715 -8.865 12.910 1.00 0.00 O ATOM 306 CB VAL A 22 3.777 -11.670 11.780 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.673 -13.187 11.772 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.519 -11.041 11.193 1.00 0.00 C ATOM 0 H VAL A 22 2.196 -10.189 13.267 1.00 0.00 H new ATOM 0 HA VAL A 22 4.456 -11.969 13.803 1.00 0.00 H new ATOM 0 HB VAL A 22 4.618 -11.377 11.152 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.478 -13.533 10.757 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.609 -13.618 12.129 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.858 -13.499 12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.354 -11.428 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.663 -11.286 11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.640 -9.959 11.150 1.00 0.00 H new ATOM 318 N SER A 23 6.341 -10.359 13.335 1.00 0.00 N ATOM 319 CA SER A 23 7.409 -9.368 13.292 1.00 0.00 C ATOM 320 C SER A 23 8.345 -9.628 12.110 1.00 0.00 C ATOM 321 O SER A 23 9.006 -10.665 12.054 1.00 0.00 O ATOM 322 CB SER A 23 8.199 -9.385 14.602 1.00 0.00 C ATOM 323 OG SER A 23 9.500 -8.847 14.426 1.00 0.00 O ATOM 0 H SER A 23 6.654 -11.311 13.525 1.00 0.00 H new ATOM 0 HA SER A 23 6.957 -8.384 13.163 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.665 -8.811 15.359 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.273 -10.408 14.971 1.00 0.00 H new ATOM 0 HG SER A 23 9.981 -8.869 15.279 1.00 0.00 H new ATOM 329 N PRO A 24 8.418 -8.691 11.142 1.00 0.00 N ATOM 330 CA PRO A 24 7.657 -7.443 11.159 1.00 0.00 C ATOM 331 C PRO A 24 6.229 -7.640 10.663 1.00 0.00 C ATOM 332 O PRO A 24 5.987 -8.420 9.741 1.00 0.00 O ATOM 333 CB PRO A 24 8.436 -6.523 10.204 1.00 0.00 C ATOM 334 CG PRO A 24 9.561 -7.340 9.641 1.00 0.00 C ATOM 335 CD PRO A 24 9.257 -8.781 9.948 1.00 0.00 C ATOM 0 HA PRO A 24 7.562 -7.038 12.167 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.789 -6.155 9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.819 -5.650 10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.649 -7.185 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.512 -7.044 10.084 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.736 -9.268 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.165 -9.355 10.135 1.00 0.00 H new ATOM 343 N ALA A 25 5.284 -6.931 11.278 1.00 0.00 N ATOM 344 CA ALA A 25 3.877 -7.031 10.893 1.00 0.00 C ATOM 345 C ALA A 25 3.717 -6.986 9.377 1.00 0.00 C ATOM 346 O ALA A 25 4.429 -6.250 8.691 1.00 0.00 O ATOM 347 CB ALA A 25 3.071 -5.916 11.543 1.00 0.00 C ATOM 0 H ALA A 25 5.466 -6.282 12.044 1.00 0.00 H new ATOM 0 HA ALA A 25 3.498 -7.991 11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.025 -6.003 11.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.149 -5.995 12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.460 -4.950 11.220 1.00 0.00 H new ATOM 353 N GLU A 26 2.790 -7.783 8.854 1.00 0.00 N ATOM 354 CA GLU A 26 2.559 -7.834 7.416 1.00 0.00 C ATOM 355 C GLU A 26 1.071 -7.841 7.086 1.00 0.00 C ATOM 356 O GLU A 26 0.227 -8.052 7.956 1.00 0.00 O ATOM 357 CB GLU A 26 3.224 -9.075 6.817 1.00 0.00 C ATOM 358 CG GLU A 26 4.681 -9.240 7.219 1.00 0.00 C ATOM 359 CD GLU A 26 5.388 -10.324 6.427 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.696 -11.102 5.739 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.633 -10.393 6.497 1.00 0.00 O ATOM 0 H GLU A 26 2.190 -8.399 9.402 1.00 0.00 H new ATOM 0 HA GLU A 26 2.999 -6.937 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.668 -9.960 7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.160 -9.022 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.202 -8.293 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.736 -9.478 8.281 1.00 0.00 H new ATOM 368 N LEU A 27 0.765 -7.619 5.812 1.00 0.00 N ATOM 369 CA LEU A 27 -0.611 -7.606 5.333 1.00 0.00 C ATOM 370 C LEU A 27 -0.791 -8.663 4.249 1.00 0.00 C ATOM 371 O LEU A 27 -0.004 -8.729 3.303 1.00 0.00 O ATOM 372 CB LEU A 27 -0.967 -6.219 4.790 1.00 0.00 C ATOM 373 CG LEU A 27 -2.305 -6.124 4.051 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.842 -4.701 4.102 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.151 -6.587 2.609 1.00 0.00 C ATOM 0 H LEU A 27 1.460 -7.444 5.086 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.280 -7.835 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.980 -5.515 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.175 -5.898 4.114 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.021 -6.779 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.793 -4.652 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.990 -4.405 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.128 -4.026 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.111 -6.513 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.420 -5.958 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.811 -7.622 2.594 1.00 0.00 H new ATOM 387 N THR A 28 -1.811 -9.501 4.395 1.00 0.00 N ATOM 388 CA THR A 28 -2.059 -10.564 3.428 1.00 0.00 C ATOM 389 C THR A 28 -3.404 -10.403 2.728 1.00 0.00 C ATOM 390 O THR A 28 -4.448 -10.299 3.371 1.00 0.00 O ATOM 391 CB THR A 28 -1.999 -11.927 4.119 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.770 -12.086 4.807 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.143 -13.090 3.162 1.00 0.00 C ATOM 0 H THR A 28 -2.476 -9.466 5.168 1.00 0.00 H new ATOM 0 HA THR A 28 -1.280 -10.498 2.669 1.00 0.00 H new ATOM 0 HB THR A 28 -2.843 -11.939 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.751 -12.963 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.092 -14.027 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.103 -13.024 2.651 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.338 -13.059 2.428 1.00 0.00 H new ATOM 401 N TRP A 29 -3.362 -10.401 1.399 1.00 0.00 N ATOM 402 CA TRP A 29 -4.550 -10.279 0.581 1.00 0.00 C ATOM 403 C TRP A 29 -4.969 -11.651 0.065 1.00 0.00 C ATOM 404 O TRP A 29 -4.155 -12.385 -0.494 1.00 0.00 O ATOM 405 CB TRP A 29 -4.270 -9.349 -0.599 1.00 0.00 C ATOM 406 CG TRP A 29 -5.410 -9.262 -1.559 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.590 -8.627 -1.349 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.483 -9.837 -2.866 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.401 -8.755 -2.450 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.742 -9.497 -3.398 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.606 -10.600 -3.642 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.146 -9.899 -4.669 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.007 -10.999 -4.902 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.266 -10.647 -5.405 1.00 0.00 C ATOM 0 H TRP A 29 -2.498 -10.485 0.864 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.357 -9.863 1.185 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.043 -8.352 -0.222 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.383 -9.699 -1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.854 -8.097 -0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.338 -8.363 -2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.632 -10.873 -3.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.117 -9.631 -5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.339 -11.592 -5.509 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.549 -10.973 -6.395 1.00 0.00 H new ATOM 425 N ARG A 30 -6.234 -11.995 0.256 1.00 0.00 N ATOM 426 CA ARG A 30 -6.741 -13.287 -0.195 1.00 0.00 C ATOM 427 C ARG A 30 -7.947 -13.113 -1.111 1.00 0.00 C ATOM 428 O ARG A 30 -8.986 -12.608 -0.694 1.00 0.00 O ATOM 429 CB ARG A 30 -7.113 -14.160 1.004 1.00 0.00 C ATOM 430 CG ARG A 30 -7.567 -15.559 0.619 1.00 0.00 C ATOM 431 CD ARG A 30 -7.101 -16.593 1.631 1.00 0.00 C ATOM 432 NE ARG A 30 -7.600 -17.930 1.318 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.433 -18.988 2.108 1.00 0.00 C ATOM 434 NH1 ARG A 30 -6.780 -18.870 3.257 1.00 0.00 N ATOM 435 NH2 ARG A 30 -7.919 -20.167 1.747 1.00 0.00 N ATOM 0 H ARG A 30 -6.926 -11.404 0.717 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.951 -13.780 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.252 -14.236 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.908 -13.671 1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.654 -15.583 0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.176 -15.811 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.011 -16.610 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.439 -16.304 2.626 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.106 -18.060 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.403 -17.965 3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.655 -19.684 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.421 -20.263 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.791 -20.978 2.352 1.00 0.00 H new ATOM 449 N SER A 31 -7.798 -13.540 -2.363 1.00 0.00 N ATOM 450 CA SER A 31 -8.877 -13.434 -3.345 1.00 0.00 C ATOM 451 C SER A 31 -10.204 -13.905 -2.757 1.00 0.00 C ATOM 452 O SER A 31 -10.239 -14.513 -1.688 1.00 0.00 O ATOM 453 CB SER A 31 -8.544 -14.256 -4.591 1.00 0.00 C ATOM 454 OG SER A 31 -7.264 -13.921 -5.096 1.00 0.00 O ATOM 0 H SER A 31 -6.942 -13.962 -2.722 1.00 0.00 H new ATOM 0 HA SER A 31 -8.975 -12.384 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.576 -15.318 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.298 -14.081 -5.358 1.00 0.00 H new ATOM 0 HG SER A 31 -6.635 -13.821 -4.352 1.00 0.00 H new ATOM 460 N THR A 32 -11.292 -13.627 -3.465 1.00 0.00 N ATOM 461 CA THR A 32 -12.613 -14.031 -3.017 1.00 0.00 C ATOM 462 C THR A 32 -12.778 -15.525 -3.207 1.00 0.00 C ATOM 463 O THR A 32 -13.314 -16.227 -2.349 1.00 0.00 O ATOM 464 CB THR A 32 -13.693 -13.276 -3.796 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.111 -12.360 -4.706 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.636 -12.499 -2.907 1.00 0.00 C ATOM 0 H THR A 32 -11.282 -13.123 -4.352 1.00 0.00 H new ATOM 0 HA THR A 32 -12.720 -13.790 -1.959 1.00 0.00 H new ATOM 0 HB THR A 32 -14.260 -14.045 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.051 -12.773 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.377 -11.987 -3.522 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.141 -13.184 -2.225 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.072 -11.765 -2.332 1.00 0.00 H new ATOM 474 N ASP A 33 -12.303 -15.995 -4.346 1.00 0.00 N ATOM 475 CA ASP A 33 -12.374 -17.402 -4.684 1.00 0.00 C ATOM 476 C ASP A 33 -11.191 -18.168 -4.094 1.00 0.00 C ATOM 477 O ASP A 33 -11.244 -19.389 -3.943 1.00 0.00 O ATOM 478 CB ASP A 33 -12.412 -17.585 -6.203 1.00 0.00 C ATOM 479 CG ASP A 33 -13.670 -17.009 -6.823 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.643 -16.768 -6.078 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.680 -16.795 -8.054 1.00 0.00 O ATOM 0 H ASP A 33 -11.860 -15.415 -5.058 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.292 -17.805 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.539 -17.105 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.347 -18.647 -6.440 1.00 0.00 H new ATOM 486 N GLY A 34 -10.126 -17.444 -3.763 1.00 0.00 N ATOM 487 CA GLY A 34 -8.948 -18.071 -3.196 1.00 0.00 C ATOM 488 C GLY A 34 -7.976 -18.546 -4.257 1.00 0.00 C ATOM 489 O GLY A 34 -7.299 -19.560 -4.081 1.00 0.00 O ATOM 0 H GLY A 34 -10.059 -16.433 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.445 -17.363 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.252 -18.918 -2.581 1.00 0.00 H new ATOM 493 N ASP A 35 -7.908 -17.814 -5.365 1.00 0.00 N ATOM 494 CA ASP A 35 -7.014 -18.169 -6.463 1.00 0.00 C ATOM 495 C ASP A 35 -5.744 -17.324 -6.443 1.00 0.00 C ATOM 496 O ASP A 35 -4.716 -17.724 -6.987 1.00 0.00 O ATOM 497 CB ASP A 35 -7.730 -18.003 -7.804 1.00 0.00 C ATOM 498 CG ASP A 35 -6.898 -18.502 -8.970 1.00 0.00 C ATOM 499 OD1 ASP A 35 -5.908 -19.222 -8.727 1.00 0.00 O ATOM 500 OD2 ASP A 35 -7.241 -18.175 -10.126 1.00 0.00 O ATOM 0 H ASP A 35 -8.461 -16.972 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.728 -19.213 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.675 -18.545 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.970 -16.951 -7.957 1.00 0.00 H new ATOM 505 N LYS A 36 -5.822 -16.155 -5.817 1.00 0.00 N ATOM 506 CA LYS A 36 -4.672 -15.257 -5.732 1.00 0.00 C ATOM 507 C LYS A 36 -4.439 -14.802 -4.295 1.00 0.00 C ATOM 508 O LYS A 36 -5.378 -14.440 -3.588 1.00 0.00 O ATOM 509 CB LYS A 36 -4.875 -14.037 -6.635 1.00 0.00 C ATOM 510 CG LYS A 36 -5.629 -14.339 -7.920 1.00 0.00 C ATOM 511 CD LYS A 36 -4.912 -13.772 -9.134 1.00 0.00 C ATOM 512 CE LYS A 36 -4.780 -12.260 -9.047 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.478 -11.850 -8.450 1.00 0.00 N ATOM 0 H LYS A 36 -6.666 -15.806 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.794 -15.808 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.417 -13.272 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.901 -13.618 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.740 -15.417 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.633 -13.920 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.922 -14.221 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.459 -14.039 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.874 -11.829 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.597 -11.858 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.108 -11.022 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.617 -11.607 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.799 -12.634 -8.525 1.00 0.00 H new ATOM 527 N VAL A 37 -3.179 -14.817 -3.872 1.00 0.00 N ATOM 528 CA VAL A 37 -2.824 -14.398 -2.522 1.00 0.00 C ATOM 529 C VAL A 37 -1.543 -13.569 -2.522 1.00 0.00 C ATOM 530 O VAL A 37 -0.537 -13.963 -3.113 1.00 0.00 O ATOM 531 CB VAL A 37 -2.649 -15.611 -1.584 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.460 -16.459 -2.012 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.498 -15.153 -0.142 1.00 0.00 C ATOM 0 H VAL A 37 -2.388 -15.114 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.646 -13.784 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.544 -16.229 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.357 -17.308 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.618 -16.821 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.552 -15.856 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.376 -16.022 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.623 -14.509 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.387 -14.599 0.159 1.00 0.00 H new ATOM 543 N HIS A 38 -1.588 -12.415 -1.862 1.00 0.00 N ATOM 544 CA HIS A 38 -0.431 -11.529 -1.790 1.00 0.00 C ATOM 545 C HIS A 38 -0.136 -11.121 -0.354 1.00 0.00 C ATOM 546 O HIS A 38 -1.045 -10.961 0.459 1.00 0.00 O ATOM 547 CB HIS A 38 -0.653 -10.280 -2.640 1.00 0.00 C ATOM 548 CG HIS A 38 0.607 -9.528 -2.938 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.630 -10.044 -3.706 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.007 -8.287 -2.568 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.604 -9.155 -3.793 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.251 -8.081 -3.113 1.00 0.00 N ATOM 0 H HIS A 38 -2.413 -12.072 -1.370 1.00 0.00 H new ATOM 0 HA HIS A 38 0.426 -12.080 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.125 -10.569 -3.579 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.348 -9.618 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.451 -7.590 -1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.532 -9.286 -4.330 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.811 -7.235 -3.009 1.00 0.00 H new ATOM 561 N THR A 39 1.143 -10.958 -0.051 1.00 0.00 N ATOM 562 CA THR A 39 1.571 -10.567 1.288 1.00 0.00 C ATOM 563 C THR A 39 2.521 -9.374 1.231 1.00 0.00 C ATOM 564 O THR A 39 3.440 -9.340 0.414 1.00 0.00 O ATOM 565 CB THR A 39 2.252 -11.743 1.990 1.00 0.00 C ATOM 566 OG1 THR A 39 1.408 -12.879 2.001 1.00 0.00 O ATOM 567 CG2 THR A 39 2.636 -11.443 3.423 1.00 0.00 C ATOM 0 H THR A 39 1.906 -11.090 -0.715 1.00 0.00 H new ATOM 0 HA THR A 39 0.687 -10.276 1.855 1.00 0.00 H new ATOM 0 HB THR A 39 3.161 -11.933 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.863 -13.620 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.114 -12.318 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.329 -10.602 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.742 -11.193 3.994 1.00 0.00 H new ATOM 575 N VAL A 40 2.295 -8.399 2.107 1.00 0.00 N ATOM 576 CA VAL A 40 3.136 -7.207 2.156 1.00 0.00 C ATOM 577 C VAL A 40 3.681 -6.967 3.553 1.00 0.00 C ATOM 578 O VAL A 40 2.975 -7.129 4.549 1.00 0.00 O ATOM 579 CB VAL A 40 2.376 -5.938 1.721 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.267 -4.707 1.869 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.867 -6.070 0.294 1.00 0.00 C ATOM 0 H VAL A 40 1.538 -8.411 2.791 1.00 0.00 H new ATOM 0 HA VAL A 40 3.954 -7.396 1.460 1.00 0.00 H new ATOM 0 HB VAL A 40 1.511 -5.817 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.716 -3.819 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.569 -4.600 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.153 -4.822 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.335 -5.162 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.710 -6.221 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.191 -6.922 0.226 1.00 0.00 H new ATOM 591 N VAL A 41 4.932 -6.541 3.617 1.00 0.00 N ATOM 592 CA VAL A 41 5.566 -6.233 4.885 1.00 0.00 C ATOM 593 C VAL A 41 5.231 -4.795 5.274 1.00 0.00 C ATOM 594 O VAL A 41 5.568 -3.852 4.558 1.00 0.00 O ATOM 595 CB VAL A 41 7.098 -6.420 4.800 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.644 -5.772 3.537 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.796 -5.881 6.047 1.00 0.00 C ATOM 0 H VAL A 41 5.529 -6.401 2.802 1.00 0.00 H new ATOM 0 HA VAL A 41 5.189 -6.918 5.644 1.00 0.00 H new ATOM 0 HB VAL A 41 7.306 -7.489 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.724 -5.913 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.182 -6.232 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.418 -4.706 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.872 -6.028 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.583 -4.817 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.432 -6.412 6.926 1.00 0.00 H new ATOM 607 N LEU A 42 4.540 -4.634 6.395 1.00 0.00 N ATOM 608 CA LEU A 42 4.131 -3.314 6.858 1.00 0.00 C ATOM 609 C LEU A 42 5.297 -2.532 7.459 1.00 0.00 C ATOM 610 O LEU A 42 5.319 -1.302 7.416 1.00 0.00 O ATOM 611 CB LEU A 42 3.006 -3.443 7.885 1.00 0.00 C ATOM 612 CG LEU A 42 1.775 -4.210 7.395 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.706 -4.253 8.477 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.227 -3.579 6.125 1.00 0.00 C ATOM 0 H LEU A 42 4.251 -5.402 7.001 1.00 0.00 H new ATOM 0 HA LEU A 42 3.773 -2.759 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.398 -3.941 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.696 -2.444 8.191 1.00 0.00 H new ATOM 0 HG LEU A 42 2.074 -5.234 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.161 -4.802 8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.103 -4.751 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.409 -3.237 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.352 -4.136 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.944 -2.546 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.991 -3.602 5.348 1.00 0.00 H new ATOM 626 N SER A 43 6.257 -3.249 8.032 1.00 0.00 N ATOM 627 CA SER A 43 7.416 -2.617 8.657 1.00 0.00 C ATOM 628 C SER A 43 8.163 -1.705 7.688 1.00 0.00 C ATOM 629 O SER A 43 8.895 -0.809 8.108 1.00 0.00 O ATOM 630 CB SER A 43 8.366 -3.681 9.207 1.00 0.00 C ATOM 631 OG SER A 43 9.645 -3.135 9.481 1.00 0.00 O ATOM 0 H SER A 43 6.257 -4.268 8.077 1.00 0.00 H new ATOM 0 HA SER A 43 7.047 -1.999 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.948 -4.109 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.461 -4.494 8.487 1.00 0.00 H new ATOM 0 HG SER A 43 10.232 -3.837 9.833 1.00 0.00 H new ATOM 637 N THR A 44 7.981 -1.934 6.394 1.00 0.00 N ATOM 638 CA THR A 44 8.650 -1.125 5.377 1.00 0.00 C ATOM 639 C THR A 44 7.738 -0.016 4.868 1.00 0.00 C ATOM 640 O THR A 44 8.208 0.987 4.329 1.00 0.00 O ATOM 641 CB THR A 44 9.119 -1.995 4.205 1.00 0.00 C ATOM 642 OG1 THR A 44 8.236 -1.883 3.100 1.00 0.00 O ATOM 643 CG2 THR A 44 9.227 -3.462 4.550 1.00 0.00 C ATOM 0 H THR A 44 7.379 -2.669 6.022 1.00 0.00 H new ATOM 0 HA THR A 44 9.522 -0.668 5.845 1.00 0.00 H new ATOM 0 HB THR A 44 10.112 -1.619 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.558 -2.446 2.365 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.564 -4.018 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.943 -3.593 5.361 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.252 -3.835 4.863 1.00 0.00 H new ATOM 651 N ILE A 45 6.434 -0.200 5.035 1.00 0.00 N ATOM 652 CA ILE A 45 5.465 0.789 4.585 1.00 0.00 C ATOM 653 C ILE A 45 5.746 2.151 5.213 1.00 0.00 C ATOM 654 O ILE A 45 5.254 2.464 6.298 1.00 0.00 O ATOM 655 CB ILE A 45 4.022 0.356 4.915 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.721 -0.996 4.264 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.021 1.410 4.453 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.710 -0.949 2.752 1.00 0.00 C ATOM 0 H ILE A 45 6.025 -1.023 5.478 1.00 0.00 H new ATOM 0 HA ILE A 45 5.564 0.867 3.502 1.00 0.00 H new ATOM 0 HB ILE A 45 3.927 0.255 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.465 -1.722 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.753 -1.352 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.010 1.083 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.228 2.354 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.108 1.547 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.490 -1.942 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.946 -0.248 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.686 -0.624 2.391 1.00 0.00 H new ATOM 670 N ASP A 46 6.554 2.952 4.526 1.00 0.00 N ATOM 671 CA ASP A 46 6.918 4.277 5.011 1.00 0.00 C ATOM 672 C ASP A 46 5.742 5.244 4.938 1.00 0.00 C ATOM 673 O ASP A 46 5.674 6.205 5.705 1.00 0.00 O ATOM 674 CB ASP A 46 8.092 4.830 4.199 1.00 0.00 C ATOM 675 CG ASP A 46 8.715 6.054 4.842 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.440 6.304 6.035 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.480 6.761 4.152 1.00 0.00 O ATOM 0 H ASP A 46 6.970 2.705 3.628 1.00 0.00 H new ATOM 0 HA ASP A 46 7.210 4.178 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.851 4.055 4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.749 5.085 3.196 1.00 0.00 H new ATOM 682 N LYS A 47 4.823 4.999 4.008 1.00 0.00 N ATOM 683 CA LYS A 47 3.665 5.871 3.846 1.00 0.00 C ATOM 684 C LYS A 47 2.421 5.085 3.451 1.00 0.00 C ATOM 685 O LYS A 47 2.510 4.032 2.821 1.00 0.00 O ATOM 686 CB LYS A 47 3.956 6.936 2.790 1.00 0.00 C ATOM 687 CG LYS A 47 4.862 8.050 3.281 1.00 0.00 C ATOM 688 CD LYS A 47 4.795 9.265 2.372 1.00 0.00 C ATOM 689 CE LYS A 47 6.157 9.921 2.217 1.00 0.00 C ATOM 690 NZ LYS A 47 6.791 10.203 3.536 1.00 0.00 N ATOM 0 H LYS A 47 4.857 4.211 3.361 1.00 0.00 H new ATOM 0 HA LYS A 47 3.473 6.348 4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.416 6.460 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.014 7.368 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.574 8.335 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.889 7.689 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.420 8.968 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.087 9.987 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.808 9.271 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.051 10.851 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.560 10.892 3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.079 10.592 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.177 9.322 3.931 1.00 0.00 H new ATOM 704 N LEU A 48 1.264 5.619 3.820 1.00 0.00 N ATOM 705 CA LEU A 48 -0.007 4.991 3.502 1.00 0.00 C ATOM 706 C LEU A 48 -0.974 6.028 2.933 1.00 0.00 C ATOM 707 O LEU A 48 -1.138 7.111 3.494 1.00 0.00 O ATOM 708 CB LEU A 48 -0.581 4.303 4.751 1.00 0.00 C ATOM 709 CG LEU A 48 -1.962 4.776 5.194 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.050 4.029 4.440 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.130 4.603 6.695 1.00 0.00 C ATOM 0 H LEU A 48 1.182 6.491 4.343 1.00 0.00 H new ATOM 0 HA LEU A 48 0.145 4.225 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.628 3.230 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.115 4.451 5.577 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.054 5.837 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.028 4.380 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.941 4.210 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.962 2.961 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.121 4.946 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.017 3.550 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.372 5.189 7.216 1.00 0.00 H new ATOM 723 N GLN A 49 -1.599 5.695 1.811 1.00 0.00 N ATOM 724 CA GLN A 49 -2.538 6.606 1.164 1.00 0.00 C ATOM 725 C GLN A 49 -3.884 5.930 0.937 1.00 0.00 C ATOM 726 O GLN A 49 -3.951 4.738 0.637 1.00 0.00 O ATOM 727 CB GLN A 49 -1.968 7.096 -0.168 1.00 0.00 C ATOM 728 CG GLN A 49 -0.694 7.911 -0.022 1.00 0.00 C ATOM 729 CD GLN A 49 -0.124 8.346 -1.358 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.471 7.797 -2.403 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.759 9.339 -1.329 1.00 0.00 N ATOM 0 H GLN A 49 -1.474 4.804 1.330 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.689 7.461 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.768 6.235 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.720 7.701 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.899 8.792 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.051 7.321 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.018 9.765 -0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.178 9.675 -2.196 1.00 0.00 H new ATOM 740 N ALA A 50 -4.955 6.701 1.080 1.00 0.00 N ATOM 741 CA ALA A 50 -6.302 6.182 0.889 1.00 0.00 C ATOM 742 C ALA A 50 -7.212 7.239 0.274 1.00 0.00 C ATOM 743 O ALA A 50 -7.071 8.430 0.551 1.00 0.00 O ATOM 744 CB ALA A 50 -6.872 5.698 2.214 1.00 0.00 C ATOM 0 H ALA A 50 -4.916 7.690 1.328 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.248 5.339 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.879 5.312 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.239 4.907 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.907 6.528 2.920 1.00 0.00 H new ATOM 750 N THR A 51 -8.145 6.795 -0.558 1.00 0.00 N ATOM 751 CA THR A 51 -9.078 7.708 -1.209 1.00 0.00 C ATOM 752 C THR A 51 -10.148 8.175 -0.221 1.00 0.00 C ATOM 753 O THR A 51 -10.785 7.359 0.443 1.00 0.00 O ATOM 754 CB THR A 51 -9.736 7.028 -2.411 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.346 5.809 -2.027 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.764 6.721 -3.532 1.00 0.00 C ATOM 0 H THR A 51 -8.276 5.812 -0.798 1.00 0.00 H new ATOM 0 HA THR A 51 -8.521 8.578 -1.557 1.00 0.00 H new ATOM 0 HB THR A 51 -10.475 7.741 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.221 5.669 -1.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.296 6.240 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.312 7.648 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.984 6.054 -3.165 1.00 0.00 H new ATOM 764 N PRO A 52 -10.356 9.501 -0.105 1.00 0.00 N ATOM 765 CA PRO A 52 -11.350 10.068 0.816 1.00 0.00 C ATOM 766 C PRO A 52 -12.770 9.615 0.492 1.00 0.00 C ATOM 767 O PRO A 52 -13.082 9.280 -0.651 1.00 0.00 O ATOM 768 CB PRO A 52 -11.211 11.582 0.618 1.00 0.00 C ATOM 769 CG PRO A 52 -10.537 11.743 -0.701 1.00 0.00 C ATOM 770 CD PRO A 52 -9.641 10.549 -0.852 1.00 0.00 C ATOM 0 HA PRO A 52 -11.177 9.745 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.185 12.071 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.623 12.031 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.266 11.789 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.963 12.669 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.505 10.277 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.649 10.734 -0.439 1.00 0.00 H new ATOM 778 N ALA A 53 -13.628 9.613 1.508 1.00 0.00 N ATOM 779 CA ALA A 53 -15.017 9.205 1.336 1.00 0.00 C ATOM 780 C ALA A 53 -15.749 10.135 0.376 1.00 0.00 C ATOM 781 O ALA A 53 -16.538 9.687 -0.455 1.00 0.00 O ATOM 782 CB ALA A 53 -15.725 9.171 2.682 1.00 0.00 C ATOM 0 H ALA A 53 -13.385 9.890 2.459 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.025 8.204 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.762 8.865 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.223 8.461 3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.698 10.163 3.132 1.00 0.00 H new ATOM 788 N SER A 54 -15.480 11.431 0.494 1.00 0.00 N ATOM 789 CA SER A 54 -16.115 12.422 -0.369 1.00 0.00 C ATOM 790 C SER A 54 -15.800 12.147 -1.834 1.00 0.00 C ATOM 791 O SER A 54 -16.572 12.500 -2.726 1.00 0.00 O ATOM 792 CB SER A 54 -15.653 13.832 0.009 1.00 0.00 C ATOM 793 OG SER A 54 -14.284 14.021 -0.303 1.00 0.00 O ATOM 0 H SER A 54 -14.829 11.819 1.176 1.00 0.00 H new ATOM 0 HA SER A 54 -17.194 12.352 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.255 14.570 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.812 13.997 1.075 1.00 0.00 H new ATOM 0 HG SER A 54 -14.190 14.212 -1.260 1.00 0.00 H new ATOM 799 N SER A 55 -14.664 11.507 -2.073 1.00 0.00 N ATOM 800 CA SER A 55 -14.238 11.175 -3.419 1.00 0.00 C ATOM 801 C SER A 55 -14.835 9.848 -3.864 1.00 0.00 C ATOM 802 O SER A 55 -14.551 8.802 -3.279 1.00 0.00 O ATOM 803 CB SER A 55 -12.712 11.113 -3.495 1.00 0.00 C ATOM 804 OG SER A 55 -12.146 12.412 -3.451 1.00 0.00 O ATOM 0 H SER A 55 -14.018 11.206 -1.343 1.00 0.00 H new ATOM 0 HA SER A 55 -14.595 11.957 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.327 10.517 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.411 10.612 -4.415 1.00 0.00 H new ATOM 0 HG SER A 55 -12.779 13.031 -3.030 1.00 0.00 H new ATOM 810 N GLU A 56 -15.651 9.896 -4.910 1.00 0.00 N ATOM 811 CA GLU A 56 -16.275 8.692 -5.442 1.00 0.00 C ATOM 812 C GLU A 56 -15.216 7.658 -5.814 1.00 0.00 C ATOM 813 O GLU A 56 -15.512 6.472 -5.955 1.00 0.00 O ATOM 814 CB GLU A 56 -17.122 9.032 -6.669 1.00 0.00 C ATOM 815 CG GLU A 56 -17.925 7.855 -7.202 1.00 0.00 C ATOM 816 CD GLU A 56 -18.683 8.190 -8.471 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.577 9.343 -8.943 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.385 7.300 -8.994 1.00 0.00 O ATOM 0 H GLU A 56 -15.895 10.754 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.919 8.271 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.806 9.842 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.469 9.403 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.252 7.020 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.630 7.526 -6.439 1.00 0.00 H new ATOM 825 N LYS A 57 -13.978 8.120 -5.971 1.00 0.00 N ATOM 826 CA LYS A 57 -12.873 7.239 -6.325 1.00 0.00 C ATOM 827 C LYS A 57 -12.488 6.344 -5.150 1.00 0.00 C ATOM 828 O LYS A 57 -12.180 6.829 -4.061 1.00 0.00 O ATOM 829 CB LYS A 57 -11.662 8.060 -6.775 1.00 0.00 C ATOM 830 CG LYS A 57 -11.957 8.987 -7.942 1.00 0.00 C ATOM 831 CD LYS A 57 -12.330 8.207 -9.192 1.00 0.00 C ATOM 832 CE LYS A 57 -12.441 9.118 -10.404 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.855 9.486 -10.695 1.00 0.00 N ATOM 0 H LYS A 57 -13.717 9.100 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.199 6.604 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.301 8.652 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.857 7.381 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.771 9.661 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.084 9.607 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.580 7.439 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.279 7.694 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.858 10.023 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.009 8.621 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.888 10.108 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.406 8.624 -10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.260 9.983 -9.876 1.00 0.00 H new ATOM 847 N MET A 58 -12.508 5.036 -5.383 1.00 0.00 N ATOM 848 CA MET A 58 -12.161 4.066 -4.350 1.00 0.00 C ATOM 849 C MET A 58 -10.766 3.501 -4.595 1.00 0.00 C ATOM 850 O MET A 58 -10.515 2.885 -5.632 1.00 0.00 O ATOM 851 CB MET A 58 -13.182 2.925 -4.330 1.00 0.00 C ATOM 852 CG MET A 58 -14.614 3.375 -4.581 1.00 0.00 C ATOM 853 SD MET A 58 -15.384 4.088 -3.116 1.00 0.00 S ATOM 854 CE MET A 58 -15.486 2.647 -2.061 1.00 0.00 C ATOM 0 H MET A 58 -12.761 4.622 -6.280 1.00 0.00 H new ATOM 0 HA MET A 58 -12.172 4.574 -3.386 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.905 2.189 -5.085 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.133 2.424 -3.363 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.624 4.110 -5.386 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.204 2.523 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.525 2.325 -1.984 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.887 1.842 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.108 2.895 -1.069 1.00 0.00 H new ATOM 864 N MET A 59 -9.855 3.710 -3.648 1.00 0.00 N ATOM 865 CA MET A 59 -8.492 3.211 -3.794 1.00 0.00 C ATOM 866 C MET A 59 -7.650 3.474 -2.548 1.00 0.00 C ATOM 867 O MET A 59 -7.985 4.322 -1.719 1.00 0.00 O ATOM 868 CB MET A 59 -7.828 3.856 -5.013 1.00 0.00 C ATOM 869 CG MET A 59 -7.268 2.849 -6.004 1.00 0.00 C ATOM 870 SD MET A 59 -6.526 3.638 -7.445 1.00 0.00 S ATOM 871 CE MET A 59 -7.800 4.822 -7.872 1.00 0.00 C ATOM 0 H MET A 59 -10.033 4.216 -2.781 1.00 0.00 H new ATOM 0 HA MET A 59 -8.551 2.131 -3.932 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.557 4.487 -5.522 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.022 4.508 -4.675 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.520 2.232 -5.506 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.066 2.182 -6.330 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.530 5.329 -8.798 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.749 4.303 -8.006 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.897 5.556 -7.072 1.00 0.00 H new ATOM 881 N LEU A 60 -6.548 2.739 -2.438 1.00 0.00 N ATOM 882 CA LEU A 60 -5.626 2.872 -1.315 1.00 0.00 C ATOM 883 C LEU A 60 -4.226 2.445 -1.744 1.00 0.00 C ATOM 884 O LEU A 60 -4.033 1.335 -2.239 1.00 0.00 O ATOM 885 CB LEU A 60 -6.099 2.022 -0.133 1.00 0.00 C ATOM 886 CG LEU A 60 -5.755 2.581 1.247 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.739 2.073 2.289 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.331 2.210 1.630 1.00 0.00 C ATOM 0 H LEU A 60 -6.269 2.036 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.600 3.915 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.180 1.904 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.663 1.027 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.829 3.668 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.478 2.481 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.747 2.388 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.698 0.984 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.102 2.616 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.231 1.125 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.638 2.623 0.897 1.00 0.00 H new ATOM 900 N ARG A 61 -3.252 3.336 -1.575 1.00 0.00 N ATOM 901 CA ARG A 61 -1.877 3.039 -1.975 1.00 0.00 C ATOM 902 C ARG A 61 -0.914 3.055 -0.789 1.00 0.00 C ATOM 903 O ARG A 61 -0.983 3.931 0.072 1.00 0.00 O ATOM 904 CB ARG A 61 -1.411 4.045 -3.029 1.00 0.00 C ATOM 905 CG ARG A 61 -0.140 3.628 -3.750 1.00 0.00 C ATOM 906 CD ARG A 61 0.428 4.767 -4.582 1.00 0.00 C ATOM 907 NE ARG A 61 1.002 5.821 -3.749 1.00 0.00 N ATOM 908 CZ ARG A 61 1.858 6.736 -4.196 1.00 0.00 C ATOM 909 NH1 ARG A 61 2.241 6.731 -5.466 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.331 7.659 -3.371 1.00 0.00 N ATOM 0 H ARG A 61 -3.386 4.262 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.871 2.032 -2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.205 4.184 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.247 5.010 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.603 3.303 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.349 2.774 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.194 4.378 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.360 5.188 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 61 0.730 5.857 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.879 6.023 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.898 7.435 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.039 7.668 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.987 8.361 -3.713 1.00 0.00 H new ATOM 924 N LEU A 62 -0.007 2.080 -0.766 1.00 0.00 N ATOM 925 CA LEU A 62 0.991 1.972 0.296 1.00 0.00 C ATOM 926 C LEU A 62 2.387 2.241 -0.261 1.00 0.00 C ATOM 927 O LEU A 62 2.738 1.745 -1.332 1.00 0.00 O ATOM 928 CB LEU A 62 0.959 0.571 0.922 1.00 0.00 C ATOM 929 CG LEU A 62 -0.280 0.229 1.768 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.435 1.177 1.479 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.703 -1.212 1.520 1.00 0.00 C ATOM 0 H LEU A 62 0.057 1.350 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 62 0.756 2.713 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.039 -0.163 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.843 0.456 1.549 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.011 0.347 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.292 0.905 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.133 2.199 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.708 1.108 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.581 -1.443 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.944 -1.344 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.112 -1.883 1.793 1.00 0.00 H new ATOM 943 N ILE A 63 3.183 3.024 0.462 1.00 0.00 N ATOM 944 CA ILE A 63 4.538 3.338 0.015 1.00 0.00 C ATOM 945 C ILE A 63 5.572 2.530 0.787 1.00 0.00 C ATOM 946 O ILE A 63 5.516 2.442 2.011 1.00 0.00 O ATOM 947 CB ILE A 63 4.884 4.834 0.171 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.629 5.707 0.098 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.887 5.247 -0.895 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.802 5.495 -1.141 1.00 0.00 C ATOM 0 H ILE A 63 2.918 3.449 1.351 1.00 0.00 H new ATOM 0 HA ILE A 63 4.566 3.079 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 63 5.329 4.981 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.010 5.508 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.925 6.755 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.127 6.304 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.796 4.655 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.458 5.079 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.932 6.151 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.402 5.723 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.472 4.457 -1.185 1.00 0.00 H new ATOM 962 N GLY A 64 6.523 1.954 0.061 1.00 0.00 N ATOM 963 CA GLY A 64 7.566 1.171 0.693 1.00 0.00 C ATOM 964 C GLY A 64 8.869 1.939 0.801 1.00 0.00 C ATOM 965 O GLY A 64 9.301 2.575 -0.162 1.00 0.00 O ATOM 0 H GLY A 64 6.590 2.016 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.240 0.869 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.730 0.258 0.121 1.00 0.00 H new ATOM 969 N LYS A 65 9.494 1.885 1.975 1.00 0.00 N ATOM 970 CA LYS A 65 10.757 2.584 2.211 1.00 0.00 C ATOM 971 C LYS A 65 11.718 2.402 1.040 1.00 0.00 C ATOM 972 O LYS A 65 11.849 1.307 0.493 1.00 0.00 O ATOM 973 CB LYS A 65 11.408 2.082 3.500 1.00 0.00 C ATOM 974 CG LYS A 65 10.836 2.716 4.757 1.00 0.00 C ATOM 975 CD LYS A 65 11.551 2.228 6.006 1.00 0.00 C ATOM 976 CE LYS A 65 10.955 2.840 7.262 1.00 0.00 C ATOM 977 NZ LYS A 65 10.909 1.866 8.387 1.00 0.00 N ATOM 0 H LYS A 65 9.146 1.364 2.780 1.00 0.00 H new ATOM 0 HA LYS A 65 10.536 3.647 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.287 1.000 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.479 2.281 3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.921 3.801 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.774 2.484 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.486 1.141 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.609 2.481 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.544 3.708 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.947 3.196 7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.608 2.353 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.233 1.108 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.854 1.456 8.530 1.00 0.00 H new ATOM 991 N VAL A 66 12.386 3.486 0.656 1.00 0.00 N ATOM 992 CA VAL A 66 13.330 3.449 -0.454 1.00 0.00 C ATOM 993 C VAL A 66 14.773 3.483 0.052 1.00 0.00 C ATOM 994 O VAL A 66 15.040 3.210 1.222 1.00 0.00 O ATOM 995 CB VAL A 66 13.081 4.621 -1.436 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.811 5.886 -0.999 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.469 4.232 -2.858 1.00 0.00 C ATOM 0 H VAL A 66 12.290 4.400 1.098 1.00 0.00 H new ATOM 0 HA VAL A 66 13.173 2.512 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 66 12.013 4.838 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.612 6.686 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.461 6.185 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.883 5.693 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.285 5.072 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.526 3.969 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.874 3.376 -3.176 1.00 0.00 H new ATOM 1007 N ASP A 67 15.694 3.821 -0.841 1.00 0.00 N ATOM 1008 CA ASP A 67 17.108 3.897 -0.504 1.00 0.00 C ATOM 1009 C ASP A 67 17.901 4.460 -1.678 1.00 0.00 C ATOM 1010 O ASP A 67 18.674 3.749 -2.320 1.00 0.00 O ATOM 1011 CB ASP A 67 17.642 2.514 -0.124 1.00 0.00 C ATOM 1012 CG ASP A 67 19.074 2.561 0.375 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.558 3.670 0.688 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.710 1.489 0.454 1.00 0.00 O ATOM 0 H ASP A 67 15.483 4.049 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 67 17.224 4.563 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.006 2.082 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.584 1.855 -0.990 1.00 0.00 H new ATOM 1019 N GLU A 68 17.693 5.743 -1.960 1.00 0.00 N ATOM 1020 CA GLU A 68 18.378 6.406 -3.065 1.00 0.00 C ATOM 1021 C GLU A 68 19.891 6.283 -2.935 1.00 0.00 C ATOM 1022 O GLU A 68 20.618 6.393 -3.922 1.00 0.00 O ATOM 1023 CB GLU A 68 17.976 7.880 -3.135 1.00 0.00 C ATOM 1024 CG GLU A 68 16.494 8.095 -3.397 1.00 0.00 C ATOM 1025 CD GLU A 68 16.129 9.560 -3.532 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.977 10.417 -3.198 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.998 9.853 -3.972 1.00 0.00 O ATOM 0 H GLU A 68 17.055 6.344 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 68 18.076 5.910 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.245 8.366 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.550 8.368 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.211 7.569 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.918 7.655 -2.583 1.00 0.00 H new ATOM 1034 N SER A 69 20.359 6.046 -1.717 1.00 0.00 N ATOM 1035 CA SER A 69 21.788 5.901 -1.466 1.00 0.00 C ATOM 1036 C SER A 69 22.376 4.765 -2.302 1.00 0.00 C ATOM 1037 O SER A 69 23.588 4.698 -2.508 1.00 0.00 O ATOM 1038 CB SER A 69 22.042 5.639 0.019 1.00 0.00 C ATOM 1039 OG SER A 69 21.492 6.671 0.821 1.00 0.00 O ATOM 0 H SER A 69 19.772 5.950 -0.888 1.00 0.00 H new ATOM 0 HA SER A 69 22.278 6.831 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.605 4.682 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.114 5.566 0.200 1.00 0.00 H new ATOM 0 HG SER A 69 21.666 6.479 1.766 1.00 0.00 H new ATOM 1045 N LYS A 70 21.511 3.877 -2.784 1.00 0.00 N ATOM 1046 CA LYS A 70 21.948 2.749 -3.597 1.00 0.00 C ATOM 1047 C LYS A 70 22.439 3.218 -4.963 1.00 0.00 C ATOM 1048 O LYS A 70 23.459 2.744 -5.464 1.00 0.00 O ATOM 1049 CB LYS A 70 20.806 1.745 -3.772 1.00 0.00 C ATOM 1050 CG LYS A 70 20.330 1.136 -2.463 1.00 0.00 C ATOM 1051 CD LYS A 70 20.121 -0.364 -2.590 1.00 0.00 C ATOM 1052 CE LYS A 70 18.944 -0.688 -3.494 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.169 -1.861 -3.001 1.00 0.00 N ATOM 0 H LYS A 70 20.504 3.918 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 70 22.776 2.263 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.967 2.242 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.133 0.946 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.061 1.338 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.397 1.610 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.025 -0.826 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.952 -0.794 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.287 0.179 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.306 -0.890 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.375 -2.048 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.789 -2.695 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.802 -1.659 -2.049 1.00 0.00 H new ATOM 1067 N LYS A 71 21.708 4.152 -5.562 1.00 0.00 N ATOM 1068 CA LYS A 71 22.068 4.684 -6.870 1.00 0.00 C ATOM 1069 C LYS A 71 22.089 3.578 -7.919 1.00 0.00 C ATOM 1070 O LYS A 71 23.105 2.909 -8.111 1.00 0.00 O ATOM 1071 CB LYS A 71 23.433 5.370 -6.806 1.00 0.00 C ATOM 1072 CG LYS A 71 23.450 6.602 -5.918 1.00 0.00 C ATOM 1073 CD LYS A 71 24.202 7.751 -6.568 1.00 0.00 C ATOM 1074 CE LYS A 71 24.421 8.898 -5.597 1.00 0.00 C ATOM 1075 NZ LYS A 71 24.536 10.207 -6.297 1.00 0.00 N ATOM 0 H LYS A 71 20.862 4.556 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 71 21.315 5.417 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.172 4.658 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.736 5.654 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.427 6.911 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.915 6.356 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 71 25.165 7.395 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.644 8.108 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.593 8.937 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.327 8.715 -5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.685 10.963 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.342 10.180 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.662 10.394 -6.829 1.00 0.00 H new ATOM 1089 N ARG A 72 20.961 3.390 -8.596 1.00 0.00 N ATOM 1090 CA ARG A 72 20.848 2.363 -9.626 1.00 0.00 C ATOM 1091 C ARG A 72 21.191 2.931 -11.000 1.00 0.00 C ATOM 1092 O ARG A 72 20.782 4.039 -11.340 1.00 0.00 O ATOM 1093 CB ARG A 72 19.433 1.782 -9.642 1.00 0.00 C ATOM 1094 CG ARG A 72 19.134 0.878 -8.458 1.00 0.00 C ATOM 1095 CD ARG A 72 19.892 -0.435 -8.556 1.00 0.00 C ATOM 1096 NE ARG A 72 19.525 -1.361 -7.489 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.743 -2.673 -7.538 1.00 0.00 C ATOM 1098 NH1 ARG A 72 20.330 -3.217 -8.596 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.376 -3.445 -6.524 1.00 0.00 N ATOM 0 H ARG A 72 20.112 3.936 -8.450 1.00 0.00 H new ATOM 0 HA ARG A 72 21.558 1.569 -9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.713 2.600 -9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.291 1.218 -10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.404 1.387 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.063 0.679 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.691 -0.898 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.963 -0.239 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 72 19.075 -0.980 -6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.617 -2.629 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.494 -4.223 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.926 -3.033 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.543 -4.450 -6.562 1.00 0.00 H new ATOM 1113 N LYS A 73 21.940 2.166 -11.785 1.00 0.00 N ATOM 1114 CA LYS A 73 22.330 2.600 -13.121 1.00 0.00 C ATOM 1115 C LYS A 73 21.290 2.181 -14.154 1.00 0.00 C ATOM 1116 O LYS A 73 20.678 1.119 -14.040 1.00 0.00 O ATOM 1117 CB LYS A 73 23.696 2.024 -13.494 1.00 0.00 C ATOM 1118 CG LYS A 73 24.825 2.497 -12.594 1.00 0.00 C ATOM 1119 CD LYS A 73 25.439 3.790 -13.109 1.00 0.00 C ATOM 1120 CE LYS A 73 26.802 4.046 -12.484 1.00 0.00 C ATOM 1121 NZ LYS A 73 26.745 4.045 -10.996 1.00 0.00 N ATOM 0 H LYS A 73 22.289 1.245 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 73 22.394 3.688 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.644 0.936 -13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.926 2.296 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.447 2.649 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.593 1.726 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.538 3.741 -14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 73 24.773 4.624 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.504 3.282 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.185 5.006 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.154 4.930 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 25.755 3.968 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.286 3.237 -10.628 1.00 0.00 H new ATOM 1135 N ASP A 74 21.099 3.023 -15.163 1.00 0.00 N ATOM 1136 CA ASP A 74 20.134 2.745 -16.221 1.00 0.00 C ATOM 1137 C ASP A 74 20.805 2.046 -17.399 1.00 0.00 C ATOM 1138 O ASP A 74 22.028 1.916 -17.444 1.00 0.00 O ATOM 1139 CB ASP A 74 19.475 4.041 -16.692 1.00 0.00 C ATOM 1140 CG ASP A 74 18.087 3.815 -17.260 1.00 0.00 C ATOM 1141 OD1 ASP A 74 17.561 2.690 -17.114 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.523 4.761 -17.847 1.00 0.00 O ATOM 0 H ASP A 74 21.600 3.905 -15.271 1.00 0.00 H new ATOM 0 HA ASP A 74 19.369 2.083 -15.816 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.413 4.738 -15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.103 4.509 -17.451 1.00 0.00 H new ATOM 1147 N ASN A 75 19.992 1.595 -18.351 1.00 0.00 N ATOM 1148 CA ASN A 75 20.504 0.909 -19.532 1.00 0.00 C ATOM 1149 C ASN A 75 21.463 1.799 -20.318 1.00 0.00 C ATOM 1150 O ASN A 75 22.273 1.309 -21.105 1.00 0.00 O ATOM 1151 CB ASN A 75 19.347 0.468 -20.431 1.00 0.00 C ATOM 1152 CG ASN A 75 19.779 -0.550 -21.470 1.00 0.00 C ATOM 1153 OD1 ASN A 75 20.925 -0.999 -21.477 1.00 0.00 O ATOM 1154 ND2 ASN A 75 18.859 -0.917 -22.354 1.00 0.00 N ATOM 0 H ASN A 75 18.977 1.693 -18.327 1.00 0.00 H new ATOM 0 HA ASN A 75 21.054 0.030 -19.196 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.554 0.042 -19.816 1.00 0.00 H new ATOM 0 HB3 ASN A 75 18.927 1.340 -20.933 1.00 0.00 H new ATOM 0 HD21 ASN A 75 19.090 -1.598 -23.077 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.921 -0.518 -22.310 1.00 0.00 H new ATOM 1161 N GLU A 76 21.368 3.107 -20.102 1.00 0.00 N ATOM 1162 CA GLU A 76 22.229 4.060 -20.793 1.00 0.00 C ATOM 1163 C GLU A 76 23.552 4.253 -20.053 1.00 0.00 C ATOM 1164 O GLU A 76 24.380 5.069 -20.452 1.00 0.00 O ATOM 1165 CB GLU A 76 21.516 5.405 -20.943 1.00 0.00 C ATOM 1166 CG GLU A 76 20.249 5.332 -21.780 1.00 0.00 C ATOM 1167 CD GLU A 76 19.060 4.814 -20.996 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.131 4.799 -19.748 1.00 0.00 O ATOM 1169 OE2 GLU A 76 18.056 4.421 -21.629 1.00 0.00 O ATOM 0 H GLU A 76 20.704 3.531 -19.454 1.00 0.00 H new ATOM 0 HA GLU A 76 22.448 3.655 -21.781 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.266 5.787 -19.953 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.201 6.121 -21.397 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.018 6.323 -22.170 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.423 4.684 -22.639 1.00 0.00 H new ATOM 1176 N GLY A 77 23.745 3.499 -18.972 1.00 0.00 N ATOM 1177 CA GLY A 77 24.968 3.613 -18.202 1.00 0.00 C ATOM 1178 C GLY A 77 24.968 4.815 -17.278 1.00 0.00 C ATOM 1179 O GLY A 77 26.014 5.201 -16.756 1.00 0.00 O ATOM 0 H GLY A 77 23.077 2.814 -18.619 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.107 2.707 -17.612 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.816 3.683 -18.883 1.00 0.00 H new ATOM 1183 N ASN A 78 23.796 5.410 -17.070 1.00 0.00 N ATOM 1184 CA ASN A 78 23.677 6.573 -16.199 1.00 0.00 C ATOM 1185 C ASN A 78 22.929 6.221 -14.918 1.00 0.00 C ATOM 1186 O ASN A 78 22.000 5.415 -14.930 1.00 0.00 O ATOM 1187 CB ASN A 78 22.960 7.712 -16.921 1.00 0.00 C ATOM 1188 CG ASN A 78 23.679 8.139 -18.186 1.00 0.00 C ATOM 1189 OD1 ASN A 78 24.787 8.674 -18.133 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.052 7.905 -19.332 1.00 0.00 N ATOM 0 H ASN A 78 22.919 5.106 -17.492 1.00 0.00 H new ATOM 0 HA ASN A 78 24.684 6.897 -15.935 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.946 7.399 -17.171 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.873 8.566 -16.250 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.488 8.171 -20.215 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.135 7.459 -19.330 1.00 0.00 H new ATOM 1197 N GLU A 79 23.341 6.834 -13.816 1.00 0.00 N ATOM 1198 CA GLU A 79 22.714 6.587 -12.522 1.00 0.00 C ATOM 1199 C GLU A 79 21.314 7.188 -12.467 1.00 0.00 C ATOM 1200 O GLU A 79 21.045 8.223 -13.078 1.00 0.00 O ATOM 1201 CB GLU A 79 23.572 7.168 -11.397 1.00 0.00 C ATOM 1202 CG GLU A 79 24.947 6.529 -11.286 1.00 0.00 C ATOM 1203 CD GLU A 79 25.787 7.143 -10.183 1.00 0.00 C ATOM 1204 OE1 GLU A 79 26.299 8.264 -10.380 1.00 0.00 O ATOM 1205 OE2 GLU A 79 25.931 6.501 -9.120 1.00 0.00 O ATOM 0 H GLU A 79 24.107 7.507 -13.791 1.00 0.00 H new ATOM 0 HA GLU A 79 22.631 5.508 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.691 8.239 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.046 7.045 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.833 5.461 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.470 6.633 -12.237 1.00 0.00 H new ATOM 1212 N VAL A 80 20.425 6.530 -11.730 1.00 0.00 N ATOM 1213 CA VAL A 80 19.051 6.992 -11.587 1.00 0.00 C ATOM 1214 C VAL A 80 18.555 6.797 -10.162 1.00 0.00 C ATOM 1215 O VAL A 80 19.076 5.963 -9.424 1.00 0.00 O ATOM 1216 CB VAL A 80 18.094 6.252 -12.551 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.714 6.133 -13.934 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.716 4.875 -12.005 1.00 0.00 C ATOM 0 H VAL A 80 20.634 5.671 -11.221 1.00 0.00 H new ATOM 0 HA VAL A 80 19.053 8.054 -11.834 1.00 0.00 H new ATOM 0 HB VAL A 80 17.180 6.839 -12.634 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.026 5.610 -14.598 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.913 7.129 -14.330 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.648 5.575 -13.867 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.043 4.379 -12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.616 4.274 -11.879 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.219 4.989 -11.042 1.00 0.00 H new ATOM 1228 N VAL A 81 17.527 7.548 -9.792 1.00 0.00 N ATOM 1229 CA VAL A 81 16.940 7.430 -8.467 1.00 0.00 C ATOM 1230 C VAL A 81 15.939 6.280 -8.460 1.00 0.00 C ATOM 1231 O VAL A 81 14.886 6.366 -9.092 1.00 0.00 O ATOM 1232 CB VAL A 81 16.230 8.727 -8.040 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.816 8.651 -6.579 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.125 9.931 -8.288 1.00 0.00 C ATOM 0 H VAL A 81 17.083 8.244 -10.391 1.00 0.00 H new ATOM 0 HA VAL A 81 17.745 7.239 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 81 15.329 8.844 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.315 9.576 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.135 7.812 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.700 8.510 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.607 10.839 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.045 9.825 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.366 9.993 -9.349 1.00 0.00 H new ATOM 1244 N PRO A 82 16.254 5.173 -7.766 1.00 0.00 N ATOM 1245 CA PRO A 82 15.373 4.006 -7.718 1.00 0.00 C ATOM 1246 C PRO A 82 13.917 4.380 -7.453 1.00 0.00 C ATOM 1247 O PRO A 82 13.630 5.326 -6.722 1.00 0.00 O ATOM 1248 CB PRO A 82 15.938 3.188 -6.558 1.00 0.00 C ATOM 1249 CG PRO A 82 17.387 3.529 -6.533 1.00 0.00 C ATOM 1250 CD PRO A 82 17.493 4.960 -6.990 1.00 0.00 C ATOM 0 HA PRO A 82 15.354 3.471 -8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.453 3.446 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.784 2.120 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.797 3.410 -5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.953 2.868 -7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.559 5.646 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.381 5.120 -7.602 1.00 0.00 H new ATOM 1258 N LYS A 83 13.006 3.628 -8.058 1.00 0.00 N ATOM 1259 CA LYS A 83 11.577 3.872 -7.898 1.00 0.00 C ATOM 1260 C LYS A 83 11.049 3.228 -6.620 1.00 0.00 C ATOM 1261 O LYS A 83 10.766 2.031 -6.590 1.00 0.00 O ATOM 1262 CB LYS A 83 10.810 3.333 -9.107 1.00 0.00 C ATOM 1263 CG LYS A 83 10.654 4.346 -10.229 1.00 0.00 C ATOM 1264 CD LYS A 83 9.687 5.455 -9.847 1.00 0.00 C ATOM 1265 CE LYS A 83 10.030 6.759 -10.549 1.00 0.00 C ATOM 1266 NZ LYS A 83 10.937 7.609 -9.730 1.00 0.00 N ATOM 0 H LYS A 83 13.232 2.841 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 83 11.426 4.949 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.326 2.454 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.822 3.006 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.626 4.776 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.296 3.843 -11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.671 5.158 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.711 5.604 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.503 6.542 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.113 7.308 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.147 8.488 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.476 7.838 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.823 7.096 -9.547 1.00 0.00 H new ATOM 1280 N PRO A 84 10.895 4.025 -5.548 1.00 0.00 N ATOM 1281 CA PRO A 84 10.382 3.554 -4.259 1.00 0.00 C ATOM 1282 C PRO A 84 9.219 2.578 -4.412 1.00 0.00 C ATOM 1283 O PRO A 84 8.450 2.661 -5.370 1.00 0.00 O ATOM 1284 CB PRO A 84 9.914 4.850 -3.570 1.00 0.00 C ATOM 1285 CG PRO A 84 10.104 5.934 -4.585 1.00 0.00 C ATOM 1286 CD PRO A 84 11.185 5.456 -5.492 1.00 0.00 C ATOM 0 HA PRO A 84 11.136 3.003 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.870 4.777 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.496 5.048 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.183 6.118 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.382 6.873 -4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.135 5.925 -6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.178 5.659 -5.092 1.00 0.00 H new ATOM 1294 N GLN A 85 9.095 1.657 -3.463 1.00 0.00 N ATOM 1295 CA GLN A 85 8.026 0.669 -3.495 1.00 0.00 C ATOM 1296 C GLN A 85 6.667 1.338 -3.335 1.00 0.00 C ATOM 1297 O GLN A 85 6.509 2.264 -2.539 1.00 0.00 O ATOM 1298 CB GLN A 85 8.230 -0.373 -2.393 1.00 0.00 C ATOM 1299 CG GLN A 85 8.996 -1.603 -2.852 1.00 0.00 C ATOM 1300 CD GLN A 85 9.247 -2.587 -1.726 1.00 0.00 C ATOM 1301 OE1 GLN A 85 8.372 -3.375 -1.368 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.448 -2.545 -1.160 1.00 0.00 N ATOM 0 H GLN A 85 9.722 1.575 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 85 8.054 0.170 -4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.764 0.089 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.257 -0.683 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.437 -2.099 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.950 -1.294 -3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.144 -1.875 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.675 -3.183 -0.397 1.00 0.00 H new ATOM 1311 N ARG A 86 5.687 0.865 -4.097 1.00 0.00 N ATOM 1312 CA ARG A 86 4.340 1.419 -4.037 1.00 0.00 C ATOM 1313 C ARG A 86 3.300 0.357 -4.379 1.00 0.00 C ATOM 1314 O ARG A 86 3.309 -0.204 -5.475 1.00 0.00 O ATOM 1315 CB ARG A 86 4.213 2.603 -4.999 1.00 0.00 C ATOM 1316 CG ARG A 86 4.516 3.945 -4.351 1.00 0.00 C ATOM 1317 CD ARG A 86 5.266 4.867 -5.300 1.00 0.00 C ATOM 1318 NE ARG A 86 4.409 5.366 -6.373 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.763 6.334 -7.215 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.954 6.910 -7.111 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.924 6.727 -8.163 1.00 0.00 N ATOM 0 H ARG A 86 5.800 0.100 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 86 4.159 1.764 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.891 2.453 -5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.202 2.624 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.585 4.419 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.109 3.789 -3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.673 5.709 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.112 4.332 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 86 3.485 4.948 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.603 6.611 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.220 7.651 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.007 6.288 -8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.195 7.469 -8.808 1.00 0.00 H new ATOM 1335 N HIS A 87 2.402 0.089 -3.436 1.00 0.00 N ATOM 1336 CA HIS A 87 1.353 -0.903 -3.639 1.00 0.00 C ATOM 1337 C HIS A 87 0.017 -0.221 -3.921 1.00 0.00 C ATOM 1338 O HIS A 87 -0.281 0.829 -3.357 1.00 0.00 O ATOM 1339 CB HIS A 87 1.230 -1.808 -2.412 1.00 0.00 C ATOM 1340 CG HIS A 87 2.500 -2.524 -2.067 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.047 -3.511 -2.860 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.332 -2.391 -1.008 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.159 -3.956 -2.302 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.355 -3.292 -1.178 1.00 0.00 N ATOM 0 H HIS A 87 2.380 0.545 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 87 1.622 -1.513 -4.501 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.917 -1.208 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.445 -2.543 -2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.214 -1.704 -0.183 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.799 -4.731 -2.698 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.139 -3.426 -0.539 1.00 0.00 H new ATOM 1353 N MET A 88 -0.778 -0.822 -4.800 1.00 0.00 N ATOM 1354 CA MET A 88 -2.077 -0.262 -5.156 1.00 0.00 C ATOM 1355 C MET A 88 -3.209 -1.217 -4.791 1.00 0.00 C ATOM 1356 O MET A 88 -3.159 -2.406 -5.105 1.00 0.00 O ATOM 1357 CB MET A 88 -2.124 0.056 -6.652 1.00 0.00 C ATOM 1358 CG MET A 88 -3.447 0.649 -7.109 1.00 0.00 C ATOM 1359 SD MET A 88 -3.546 0.831 -8.900 1.00 0.00 S ATOM 1360 CE MET A 88 -5.277 1.238 -9.106 1.00 0.00 C ATOM 0 H MET A 88 -0.547 -1.693 -5.277 1.00 0.00 H new ATOM 0 HA MET A 88 -2.212 0.659 -4.589 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.321 0.753 -6.892 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.932 -0.857 -7.215 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.263 0.013 -6.767 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.585 1.624 -6.641 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.731 0.548 -9.818 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.787 1.156 -8.146 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.369 2.258 -9.480 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.232 -0.683 -4.131 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.383 -1.479 -3.725 1.00 0.00 C ATOM 1372 C PHE A 89 -6.678 -0.701 -3.940 1.00 0.00 C ATOM 1373 O PHE A 89 -6.715 0.516 -3.763 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.255 -1.888 -2.256 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.041 -2.724 -1.970 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.078 -4.099 -2.127 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.863 -2.133 -1.542 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.962 -4.872 -1.863 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.744 -2.899 -1.277 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.792 -4.271 -1.438 1.00 0.00 C ATOM 0 H PHE A 89 -4.286 0.300 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.411 -2.378 -4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.222 -0.990 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.146 -2.443 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.989 -4.574 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.819 -1.062 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.005 -5.944 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.832 -2.426 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.918 -4.871 -1.232 1.00 0.00 H new ATOM 1390 N SER A 90 -7.734 -1.408 -4.325 1.00 0.00 N ATOM 1391 CA SER A 90 -9.026 -0.777 -4.566 1.00 0.00 C ATOM 1392 C SER A 90 -10.123 -1.440 -3.739 1.00 0.00 C ATOM 1393 O SER A 90 -10.205 -2.665 -3.667 1.00 0.00 O ATOM 1394 CB SER A 90 -9.382 -0.841 -6.052 1.00 0.00 C ATOM 1395 OG SER A 90 -8.233 -0.647 -6.860 1.00 0.00 O ATOM 0 H SER A 90 -7.721 -2.417 -4.477 1.00 0.00 H new ATOM 0 HA SER A 90 -8.951 0.267 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.832 -1.807 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.127 -0.080 -6.284 1.00 0.00 H new ATOM 0 HG SER A 90 -8.486 -0.694 -7.806 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.966 -0.621 -3.119 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.060 -1.127 -2.298 1.00 0.00 C ATOM 1403 C PHE A 91 -13.396 -0.589 -2.797 1.00 0.00 C ATOM 1404 O PHE A 91 -13.439 0.273 -3.676 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.860 -0.733 -0.833 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.480 -1.025 -0.310 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.380 -0.341 -0.801 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.286 -1.977 0.678 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.112 -0.603 -0.319 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.021 -2.243 1.164 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.932 -1.555 0.665 1.00 0.00 C ATOM 0 H PHE A 91 -10.913 0.396 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.065 -2.214 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.063 0.332 -0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.590 -1.262 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.515 0.406 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.134 -2.517 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.262 -0.064 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.883 -2.988 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.942 -1.761 1.044 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.485 -1.096 -2.231 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.820 -0.657 -2.618 1.00 0.00 C ATOM 1423 C ASN A 92 -16.626 -0.217 -1.399 1.00 0.00 C ATOM 1424 O ASN A 92 -17.855 -0.281 -1.399 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.559 -1.773 -3.352 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.782 -2.292 -4.547 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.195 -1.521 -5.304 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.778 -3.610 -4.721 1.00 0.00 N ATOM 0 H ASN A 92 -14.470 -1.811 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.709 0.196 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.750 -2.594 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.529 -1.405 -3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.274 -4.019 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.279 -4.212 -4.068 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.925 0.230 -0.364 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.571 0.683 0.862 1.00 0.00 C ATOM 1437 C ASN A 93 -15.657 1.629 1.632 1.00 0.00 C ATOM 1438 O ASN A 93 -14.539 1.267 1.997 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.944 -0.512 1.740 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.010 -1.385 1.108 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -19.059 -0.898 0.687 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.746 -2.685 1.039 1.00 0.00 N ATOM 0 H ASN A 93 -14.907 0.289 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.480 1.220 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.054 -1.111 1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.299 -0.153 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.426 -3.322 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.863 -3.046 1.401 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.137 2.845 1.875 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.358 3.840 2.603 1.00 0.00 C ATOM 1451 C ARG A 94 -14.934 3.304 3.962 1.00 0.00 C ATOM 1452 O ARG A 94 -13.837 3.587 4.441 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.163 5.130 2.775 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.782 5.642 1.484 1.00 0.00 C ATOM 1455 CD ARG A 94 -15.742 5.794 0.385 1.00 0.00 C ATOM 1456 NE ARG A 94 -16.214 6.649 -0.701 1.00 0.00 N ATOM 1457 CZ ARG A 94 -17.158 6.292 -1.570 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -17.729 5.097 -1.486 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -17.530 7.132 -2.526 1.00 0.00 N ATOM 0 H ARG A 94 -17.059 3.164 1.579 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.462 4.060 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.955 4.959 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.512 5.902 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.561 4.954 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.262 6.603 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.828 6.214 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.488 4.811 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.796 7.574 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.445 4.447 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.451 4.829 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.093 8.051 -2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.253 6.859 -3.192 1.00 0.00 H new ATOM 1473 N THR A 95 -15.812 2.526 4.572 1.00 0.00 N ATOM 1474 CA THR A 95 -15.554 1.939 5.864 1.00 0.00 C ATOM 1475 C THR A 95 -14.434 0.910 5.780 1.00 0.00 C ATOM 1476 O THR A 95 -13.436 1.005 6.495 1.00 0.00 O ATOM 1477 CB THR A 95 -16.831 1.298 6.369 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.958 1.793 5.665 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.074 1.531 7.835 1.00 0.00 C ATOM 0 H THR A 95 -16.723 2.287 4.180 1.00 0.00 H new ATOM 0 HA THR A 95 -15.232 2.716 6.558 1.00 0.00 H new ATOM 0 HB THR A 95 -16.700 0.229 6.202 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.771 1.365 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.004 1.046 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.248 1.115 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.147 2.602 8.026 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.598 -0.066 4.894 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.590 -1.102 4.712 1.00 0.00 C ATOM 1489 C VAL A 96 -12.276 -0.480 4.259 1.00 0.00 C ATOM 1490 O VAL A 96 -11.202 -0.868 4.717 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.037 -2.153 3.677 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.994 -3.253 3.537 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.389 -2.738 4.061 1.00 0.00 C ATOM 0 H VAL A 96 -15.417 -0.161 4.293 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.455 -1.600 5.672 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.138 -1.659 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.332 -3.983 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.049 -2.819 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.854 -3.746 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.689 -3.478 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.315 -3.214 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.132 -1.942 4.100 1.00 0.00 H new ATOM 1503 N MET A 97 -12.375 0.495 3.365 1.00 0.00 N ATOM 1504 CA MET A 97 -11.201 1.183 2.851 1.00 0.00 C ATOM 1505 C MET A 97 -10.570 2.042 3.943 1.00 0.00 C ATOM 1506 O MET A 97 -9.348 2.186 4.003 1.00 0.00 O ATOM 1507 CB MET A 97 -11.577 2.052 1.649 1.00 0.00 C ATOM 1508 CG MET A 97 -10.445 2.232 0.649 1.00 0.00 C ATOM 1509 SD MET A 97 -10.154 3.960 0.227 1.00 0.00 S ATOM 1510 CE MET A 97 -10.047 4.689 1.858 1.00 0.00 C ATOM 0 H MET A 97 -13.260 0.827 2.981 1.00 0.00 H new ATOM 0 HA MET A 97 -10.475 0.436 2.529 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.431 1.605 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.895 3.032 2.005 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.531 1.804 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.676 1.675 -0.259 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.678 5.711 1.776 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.035 4.696 2.319 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.363 4.104 2.474 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.409 2.609 4.806 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.928 3.449 5.895 1.00 0.00 C ATOM 1522 C ASP A 98 -10.337 2.606 7.017 1.00 0.00 C ATOM 1523 O ASP A 98 -9.415 3.034 7.708 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.058 4.326 6.439 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.326 5.537 5.565 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.634 5.694 4.537 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.231 6.328 5.908 1.00 0.00 O ATOM 0 H ASP A 98 -12.423 2.501 4.771 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.143 4.092 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.968 3.732 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.804 4.658 7.446 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.868 1.406 7.188 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.382 0.503 8.227 1.00 0.00 C ATOM 1534 C ASN A 99 -8.923 0.146 7.977 1.00 0.00 C ATOM 1535 O ASN A 99 -8.137 0.006 8.914 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.228 -0.771 8.275 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.670 -0.494 8.657 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.984 0.548 9.232 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.556 -1.429 8.335 1.00 0.00 N ATOM 0 H ASN A 99 -11.632 1.033 6.625 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.464 1.013 9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.200 -1.259 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.792 -1.466 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.541 -1.298 8.564 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.251 -2.278 7.858 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.571 0.007 6.705 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.207 -0.328 6.315 1.00 0.00 C ATOM 1548 C ILE A 100 -6.266 0.842 6.566 1.00 0.00 C ATOM 1549 O ILE A 100 -5.203 0.681 7.167 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.142 -0.719 4.825 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.151 -1.828 4.528 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.738 -1.157 4.439 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.787 -3.159 5.144 1.00 0.00 C ATOM 0 H ILE A 100 -9.215 0.122 5.922 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.893 -1.176 6.923 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.397 0.157 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.131 -1.523 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.238 -1.949 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.719 -1.428 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.040 -0.339 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.448 -2.019 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.548 -3.897 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.821 -3.486 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.729 -3.055 6.227 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.662 2.022 6.104 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.855 3.221 6.281 1.00 0.00 C ATOM 1567 C LYS A 101 -5.731 3.581 7.758 1.00 0.00 C ATOM 1568 O LYS A 101 -4.748 4.190 8.179 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.449 4.390 5.483 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.639 5.062 6.151 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.249 6.125 5.250 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.862 7.258 6.057 1.00 0.00 C ATOM 1573 NZ LYS A 101 -10.229 7.608 5.579 1.00 0.00 N ATOM 0 H LYS A 101 -7.538 2.173 5.604 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.854 3.018 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.671 5.135 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.755 4.027 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.392 4.313 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.323 5.516 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.482 6.524 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.013 5.672 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.908 6.971 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.220 8.137 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.222 8.568 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.525 6.930 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.896 7.571 6.376 1.00 0.00 H new ATOM 1587 N MET A 102 -6.732 3.192 8.539 1.00 0.00 N ATOM 1588 CA MET A 102 -6.735 3.463 9.970 1.00 0.00 C ATOM 1589 C MET A 102 -5.830 2.472 10.693 1.00 0.00 C ATOM 1590 O MET A 102 -5.081 2.842 11.596 1.00 0.00 O ATOM 1591 CB MET A 102 -8.168 3.408 10.522 1.00 0.00 C ATOM 1592 CG MET A 102 -8.345 2.510 11.740 1.00 0.00 C ATOM 1593 SD MET A 102 -9.937 2.743 12.552 1.00 0.00 S ATOM 1594 CE MET A 102 -11.010 1.802 11.471 1.00 0.00 C ATOM 0 H MET A 102 -7.553 2.687 8.204 1.00 0.00 H new ATOM 0 HA MET A 102 -6.347 4.467 10.142 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.481 4.419 10.784 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.835 3.062 9.732 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.246 1.468 11.435 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.545 2.711 12.453 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.936 1.563 11.995 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.237 2.390 10.582 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.511 0.878 11.177 1.00 0.00 H new ATOM 1604 N THR A 103 -5.908 1.210 10.285 1.00 0.00 N ATOM 1605 CA THR A 103 -5.099 0.166 10.887 1.00 0.00 C ATOM 1606 C THR A 103 -3.634 0.319 10.482 1.00 0.00 C ATOM 1607 O THR A 103 -2.732 0.152 11.305 1.00 0.00 O ATOM 1608 CB THR A 103 -5.644 -1.205 10.485 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.229 -1.859 11.595 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.592 -2.120 9.918 1.00 0.00 C ATOM 0 H THR A 103 -6.525 0.889 9.539 1.00 0.00 H new ATOM 0 HA THR A 103 -5.151 0.255 11.972 1.00 0.00 H new ATOM 0 HB THR A 103 -6.385 -1.005 9.711 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.874 -2.770 11.662 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.045 -3.075 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.156 -1.666 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.812 -2.282 10.662 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.405 0.639 9.214 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.050 0.817 8.708 1.00 0.00 C ATOM 1620 C LEU A 104 -1.336 1.938 9.455 1.00 0.00 C ATOM 1621 O LEU A 104 -0.158 1.822 9.788 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.077 1.120 7.208 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.062 -0.109 6.299 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.305 0.293 4.854 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.740 -0.853 6.432 1.00 0.00 C ATOM 0 H LEU A 104 -4.138 0.780 8.519 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.502 -0.111 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.970 1.705 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.218 1.744 6.963 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.866 -0.777 6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.291 -0.595 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.276 0.782 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.523 0.981 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.746 -1.725 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.079 -0.192 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.606 -1.175 7.465 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.058 3.022 9.719 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.493 4.163 10.430 1.00 0.00 C ATOM 1639 C GLN A 105 -1.051 3.766 11.832 1.00 0.00 C ATOM 1640 O GLN A 105 -0.111 4.336 12.384 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.511 5.303 10.506 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.439 6.263 9.331 1.00 0.00 C ATOM 1643 CD GLN A 105 -2.269 7.706 9.764 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.174 8.304 10.347 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -1.102 8.275 9.481 1.00 0.00 N ATOM 0 H GLN A 105 -3.036 3.134 9.451 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.619 4.505 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.514 4.880 10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.352 5.860 11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.606 5.981 8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.348 6.171 8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.379 7.743 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.929 9.244 9.748 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.739 2.788 12.403 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.422 2.312 13.744 1.00 0.00 C ATOM 1656 C GLN A 106 -0.078 1.592 13.768 1.00 0.00 C ATOM 1657 O GLN A 106 0.672 1.690 14.738 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.523 1.376 14.249 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.843 2.078 14.517 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.936 1.120 14.947 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.823 -0.092 14.764 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -6.004 1.660 15.524 1.00 0.00 N ATOM 0 H GLN A 106 -2.521 2.307 11.959 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.359 3.179 14.402 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.683 0.587 13.514 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.185 0.893 15.166 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.699 2.831 15.292 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.160 2.604 13.617 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.056 2.670 15.656 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.772 1.065 15.835 1.00 0.00 H new ATOM 1671 N ILE A 107 0.220 0.865 12.696 1.00 0.00 N ATOM 1672 CA ILE A 107 1.471 0.124 12.597 1.00 0.00 C ATOM 1673 C ILE A 107 2.662 1.060 12.424 1.00 0.00 C ATOM 1674 O ILE A 107 3.675 0.919 13.108 1.00 0.00 O ATOM 1675 CB ILE A 107 1.436 -0.885 11.432 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.243 -1.831 11.592 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.736 -1.673 11.364 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.441 -2.167 10.285 1.00 0.00 C ATOM 0 H ILE A 107 -0.389 0.774 11.883 1.00 0.00 H new ATOM 0 HA ILE A 107 1.588 -0.422 13.533 1.00 0.00 H new ATOM 0 HB ILE A 107 1.324 -0.334 10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.582 -2.754 12.063 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.483 -1.377 12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.690 -2.379 10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.569 -0.987 11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.881 -2.218 12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.276 -2.841 10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.811 -1.252 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.271 -2.650 9.616 1.00 0.00 H new ATOM 1690 N ILE A 108 2.534 2.027 11.522 1.00 0.00 N ATOM 1691 CA ILE A 108 3.611 2.988 11.293 1.00 0.00 C ATOM 1692 C ILE A 108 3.939 3.691 12.588 1.00 0.00 C ATOM 1693 O ILE A 108 5.051 3.608 13.107 1.00 0.00 O ATOM 1694 CB ILE A 108 3.238 4.068 10.256 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.428 3.479 9.105 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.493 4.751 9.734 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.484 4.477 8.475 1.00 0.00 C ATOM 0 H ILE A 108 1.706 2.167 10.943 1.00 0.00 H new ATOM 0 HA ILE A 108 4.460 2.421 10.911 1.00 0.00 H new ATOM 0 HB ILE A 108 2.613 4.811 10.752 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.111 3.102 8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.856 2.626 9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.216 5.511 9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.023 5.220 10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.140 4.012 9.262 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.937 3.998 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.779 4.835 9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.054 5.319 8.081 1.00 0.00 H new ATOM 1709 N SER A 109 2.936 4.376 13.100 1.00 0.00 N ATOM 1710 CA SER A 109 3.058 5.112 14.352 1.00 0.00 C ATOM 1711 C SER A 109 3.645 4.230 15.446 1.00 0.00 C ATOM 1712 O SER A 109 4.352 4.709 16.334 1.00 0.00 O ATOM 1713 CB SER A 109 1.690 5.645 14.784 1.00 0.00 C ATOM 1714 OG SER A 109 1.046 4.752 15.680 1.00 0.00 O ATOM 0 H SER A 109 2.015 4.441 12.666 1.00 0.00 H new ATOM 0 HA SER A 109 3.734 5.952 14.190 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.811 6.618 15.261 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.063 5.797 13.905 1.00 0.00 H new ATOM 0 HG SER A 109 0.981 3.865 15.268 1.00 0.00 H new ATOM 1720 N ARG A 110 3.350 2.941 15.371 1.00 0.00 N ATOM 1721 CA ARG A 110 3.848 1.983 16.351 1.00 0.00 C ATOM 1722 C ARG A 110 5.354 1.807 16.219 1.00 0.00 C ATOM 1723 O ARG A 110 6.056 1.584 17.206 1.00 0.00 O ATOM 1724 CB ARG A 110 3.147 0.635 16.186 1.00 0.00 C ATOM 1725 CG ARG A 110 1.910 0.481 17.057 1.00 0.00 C ATOM 1726 CD ARG A 110 1.202 -0.837 16.791 1.00 0.00 C ATOM 1727 NE ARG A 110 -0.049 -0.950 17.538 1.00 0.00 N ATOM 1728 CZ ARG A 110 -0.113 -1.170 18.848 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.001 -1.304 19.561 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.291 -1.259 19.449 1.00 0.00 N ATOM 0 H ARG A 110 2.767 2.532 14.641 1.00 0.00 H new ATOM 0 HA ARG A 110 3.631 2.374 17.345 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.863 0.508 15.141 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.851 -0.163 16.425 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.194 0.537 18.108 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.225 1.308 16.868 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.996 -0.929 15.725 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.861 -1.663 17.061 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.925 -0.854 17.024 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.910 -1.238 19.104 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.946 -1.473 20.565 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.149 -1.159 18.907 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.339 -1.428 20.454 1.00 0.00 H new ATOM 1744 N TYR A 111 5.839 1.906 14.991 1.00 0.00 N ATOM 1745 CA TYR A 111 7.262 1.758 14.714 1.00 0.00 C ATOM 1746 C TYR A 111 7.966 3.111 14.742 1.00 0.00 C ATOM 1747 O TYR A 111 9.123 3.211 15.149 1.00 0.00 O ATOM 1748 CB TYR A 111 7.472 1.085 13.356 1.00 0.00 C ATOM 1749 CG TYR A 111 6.812 -0.272 13.242 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.743 -1.129 14.334 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.258 -0.696 12.041 1.00 0.00 C ATOM 1752 CE1 TYR A 111 6.142 -2.369 14.231 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.654 -1.934 11.931 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.600 -2.767 13.028 1.00 0.00 C ATOM 1755 OH TYR A 111 5.000 -4.001 12.924 1.00 0.00 O ATOM 0 H TYR A 111 5.267 2.089 14.167 1.00 0.00 H new ATOM 0 HA TYR A 111 7.695 1.129 15.492 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.082 1.736 12.573 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.541 0.976 13.176 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.166 -0.821 15.279 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.300 -0.047 11.179 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.097 -3.023 15.089 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.226 -2.247 10.990 1.00 0.00 H new ATOM 0 HH TYR A 111 4.048 -3.921 13.142 1.00 0.00 H new ATOM 1765 N LYS A 112 7.259 4.150 14.311 1.00 0.00 N ATOM 1766 CA LYS A 112 7.814 5.497 14.291 1.00 0.00 C ATOM 1767 C LYS A 112 8.099 5.986 15.707 1.00 0.00 C ATOM 1768 O LYS A 112 9.084 6.684 15.950 1.00 0.00 O ATOM 1769 CB LYS A 112 6.850 6.458 13.588 1.00 0.00 C ATOM 1770 CG LYS A 112 7.356 6.940 12.237 1.00 0.00 C ATOM 1771 CD LYS A 112 6.424 6.528 11.109 1.00 0.00 C ATOM 1772 CE LYS A 112 6.239 7.650 10.100 1.00 0.00 C ATOM 1773 NZ LYS A 112 7.157 7.505 8.936 1.00 0.00 N ATOM 0 H LYS A 112 6.300 4.084 13.971 1.00 0.00 H new ATOM 0 HA LYS A 112 8.754 5.470 13.739 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.889 5.962 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.675 7.321 14.231 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.453 8.026 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.351 6.533 12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.826 5.648 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.455 6.245 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.207 7.657 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.417 8.609 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.000 8.289 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.143 7.523 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.970 6.601 8.457 1.00 0.00 H new ATOM 1787 N ASP A 113 7.228 5.612 16.641 1.00 0.00 N ATOM 1788 CA ASP A 113 7.383 6.009 18.034 1.00 0.00 C ATOM 1789 C ASP A 113 8.682 5.460 18.616 1.00 0.00 C ATOM 1790 O ASP A 113 9.344 6.121 19.415 1.00 0.00 O ATOM 1791 CB ASP A 113 6.192 5.518 18.861 1.00 0.00 C ATOM 1792 CG ASP A 113 4.912 6.260 18.528 1.00 0.00 C ATOM 1793 OD1 ASP A 113 4.992 7.316 17.867 1.00 0.00 O ATOM 1794 OD2 ASP A 113 3.829 5.784 18.931 1.00 0.00 O ATOM 0 H ASP A 113 6.408 5.034 16.456 1.00 0.00 H new ATOM 0 HA ASP A 113 7.421 7.098 18.073 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.047 4.452 18.686 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.414 5.640 19.921 1.00 0.00 H new ATOM 1799 N ALA A 114 9.038 4.245 18.211 1.00 0.00 N ATOM 1800 CA ALA A 114 10.257 3.607 18.691 1.00 0.00 C ATOM 1801 C ALA A 114 11.496 4.381 18.249 1.00 0.00 C ATOM 1802 O ALA A 114 12.429 4.575 19.028 1.00 0.00 O ATOM 1803 CB ALA A 114 10.326 2.170 18.199 1.00 0.00 C ATOM 0 H ALA A 114 8.499 3.683 17.552 1.00 0.00 H new ATOM 0 HA ALA A 114 10.233 3.607 19.781 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.241 1.704 18.564 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.464 1.616 18.571 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.323 2.158 17.109 1.00 0.00 H new ATOM 1809 N ASP A 115 11.497 4.819 16.994 1.00 0.00 N ATOM 1810 CA ASP A 115 12.621 5.570 16.450 1.00 0.00 C ATOM 1811 C ASP A 115 12.299 7.059 16.380 1.00 0.00 C ATOM 1812 O ASP A 115 11.283 7.472 16.978 1.00 0.00 O ATOM 1813 CB ASP A 115 12.983 5.048 15.057 1.00 0.00 C ATOM 1814 CG ASP A 115 11.842 5.191 14.066 1.00 0.00 C ATOM 1815 OD1 ASP A 115 10.847 5.869 14.398 1.00 0.00 O ATOM 1816 OD2 ASP A 115 11.945 4.623 12.959 1.00 0.00 O ATOM 1817 OXT ASP A 115 13.065 7.801 15.729 1.00 0.00 O ATOM 0 H ASP A 115 10.733 4.667 16.336 1.00 0.00 H new ATOM 0 HA ASP A 115 13.473 5.433 17.115 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.853 5.589 14.685 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.268 3.998 15.129 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -2.364 4.594 -17.098 1.00 0.00 N ATOM 1824 CA LEU B 45 -1.141 4.540 -17.939 1.00 0.00 C ATOM 1825 C LEU B 45 0.119 4.529 -17.083 1.00 0.00 C ATOM 1826 O LEU B 45 0.912 3.589 -17.139 1.00 0.00 O ATOM 1827 CB LEU B 45 -1.136 5.756 -18.870 1.00 0.00 C ATOM 1828 CG LEU B 45 0.027 5.808 -19.860 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -0.169 4.785 -20.968 1.00 0.00 C ATOM 1830 CD2 LEU B 45 0.168 7.205 -20.442 1.00 0.00 C ATOM 0 HA LEU B 45 -1.149 3.619 -18.521 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.071 5.769 -19.430 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -1.116 6.660 -18.262 1.00 0.00 H new ATOM 0 HG LEU B 45 0.945 5.563 -19.326 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.669 4.837 -21.663 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -0.221 3.786 -20.536 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -1.096 4.998 -21.500 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.001 7.224 -21.145 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.751 7.477 -20.961 1.00 0.00 H new ATOM 0 HD23 LEU B 45 0.355 7.917 -19.638 1.00 0.00 H new ATOM 1842 N SER B 46 0.299 5.580 -16.288 1.00 0.00 N ATOM 1843 CA SER B 46 1.464 5.692 -15.419 1.00 0.00 C ATOM 1844 C SER B 46 1.040 5.900 -13.966 1.00 0.00 C ATOM 1845 O SER B 46 -0.108 6.241 -13.689 1.00 0.00 O ATOM 1846 CB SER B 46 2.356 6.848 -15.872 1.00 0.00 C ATOM 1847 OG SER B 46 3.324 6.409 -16.808 1.00 0.00 O ATOM 0 H SER B 46 -0.348 6.366 -16.228 1.00 0.00 H new ATOM 0 HA SER B 46 2.027 4.761 -15.486 1.00 0.00 H new ATOM 0 HB2 SER B 46 1.743 7.631 -16.318 1.00 0.00 H new ATOM 0 HB3 SER B 46 2.854 7.287 -15.008 1.00 0.00 H new ATOM 0 HG SER B 46 3.880 7.167 -17.083 1.00 0.00 H new ATOM 1853 N PRO B 47 1.971 5.697 -13.016 1.00 0.00 N ATOM 1854 CA PRO B 47 1.690 5.864 -11.587 1.00 0.00 C ATOM 1855 C PRO B 47 1.052 7.214 -11.276 1.00 0.00 C ATOM 1856 O PRO B 47 0.103 7.300 -10.497 1.00 0.00 O ATOM 1857 CB PRO B 47 3.071 5.766 -10.939 1.00 0.00 C ATOM 1858 CG PRO B 47 3.876 4.949 -11.889 1.00 0.00 C ATOM 1859 CD PRO B 47 3.367 5.288 -13.262 1.00 0.00 C ATOM 0 HA PRO B 47 0.980 5.122 -11.223 1.00 0.00 H new ATOM 0 HB2 PRO B 47 3.511 6.752 -10.793 1.00 0.00 H new ATOM 0 HB3 PRO B 47 3.016 5.294 -9.958 1.00 0.00 H new ATOM 0 HG2 PRO B 47 4.938 5.179 -11.799 1.00 0.00 H new ATOM 0 HG3 PRO B 47 3.762 3.885 -11.682 1.00 0.00 H new ATOM 0 HD2 PRO B 47 3.946 6.090 -13.719 1.00 0.00 H new ATOM 0 HD3 PRO B 47 3.423 4.432 -13.934 1.00 0.00 H new ATOM 1867 N ASP B 48 1.581 8.267 -11.893 1.00 0.00 N ATOM 1868 CA ASP B 48 1.063 9.614 -11.684 1.00 0.00 C ATOM 1869 C ASP B 48 -0.408 9.701 -12.081 1.00 0.00 C ATOM 1870 O ASP B 48 -1.159 10.517 -11.546 1.00 0.00 O ATOM 1871 CB ASP B 48 1.881 10.626 -12.488 1.00 0.00 C ATOM 1872 CG ASP B 48 3.306 10.753 -11.983 1.00 0.00 C ATOM 1873 OD1 ASP B 48 3.576 10.301 -10.852 1.00 0.00 O ATOM 1874 OD2 ASP B 48 4.149 11.303 -12.722 1.00 0.00 O ATOM 0 H ASP B 48 2.367 8.213 -12.541 1.00 0.00 H new ATOM 0 HA ASP B 48 1.147 9.848 -10.623 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.896 10.326 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP B 48 1.394 11.600 -12.442 1.00 0.00 H new ATOM 1879 N ASP B 49 -0.813 8.854 -13.022 1.00 0.00 N ATOM 1880 CA ASP B 49 -2.193 8.833 -13.490 1.00 0.00 C ATOM 1881 C ASP B 49 -3.143 8.468 -12.355 1.00 0.00 C ATOM 1882 O ASP B 49 -4.202 9.075 -12.196 1.00 0.00 O ATOM 1883 CB ASP B 49 -2.350 7.835 -14.637 1.00 0.00 C ATOM 1884 CG ASP B 49 -3.509 8.180 -15.551 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -4.380 8.972 -15.132 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -3.547 7.658 -16.686 1.00 0.00 O ATOM 0 H ASP B 49 -0.204 8.173 -13.475 1.00 0.00 H new ATOM 0 HA ASP B 49 -2.444 9.831 -13.848 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -1.429 7.807 -15.219 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -2.499 6.836 -14.227 1.00 0.00 H new ATOM 1891 N ILE B 50 -2.755 7.470 -11.571 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.567 7.015 -10.450 1.00 0.00 C ATOM 1893 C ILE B 50 -3.637 8.072 -9.354 1.00 0.00 C ATOM 1894 O ILE B 50 -4.599 8.125 -8.588 1.00 0.00 O ATOM 1895 CB ILE B 50 -3.014 5.705 -9.857 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -2.794 4.673 -10.963 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -3.961 5.162 -8.799 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.039 4.373 -11.768 1.00 0.00 C ATOM 0 H ILE B 50 -1.880 6.959 -11.692 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.571 6.836 -10.836 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.054 5.913 -9.385 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.015 5.033 -11.635 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -2.428 3.748 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.557 4.236 -8.389 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -4.072 5.895 -8.000 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -4.934 4.965 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -3.807 3.633 -12.534 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -4.814 3.982 -11.108 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -4.394 5.288 -12.243 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.612 8.911 -9.285 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.556 9.969 -8.284 1.00 0.00 C ATOM 1912 C GLU B 51 -3.674 10.983 -8.500 1.00 0.00 C ATOM 1913 O GLU B 51 -4.209 11.546 -7.545 1.00 0.00 O ATOM 1914 CB GLU B 51 -1.199 10.673 -8.328 1.00 0.00 C ATOM 1915 CG GLU B 51 -0.058 9.832 -7.782 1.00 0.00 C ATOM 1916 CD GLU B 51 -0.239 9.488 -6.314 1.00 0.00 C ATOM 1917 OE1 GLU B 51 -1.063 10.148 -5.647 1.00 0.00 O ATOM 1918 OE2 GLU B 51 0.441 8.557 -5.836 1.00 0.00 O ATOM 0 H GLU B 51 -1.807 8.880 -9.911 1.00 0.00 H new ATOM 0 HA GLU B 51 -2.688 9.512 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.975 10.948 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -1.261 11.600 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.020 8.911 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.881 10.371 -7.912 1.00 0.00 H new ATOM 1925 N GLN B 52 -4.026 11.209 -9.762 1.00 0.00 N ATOM 1926 CA GLN B 52 -5.081 12.152 -10.104 1.00 0.00 C ATOM 1927 C GLN B 52 -6.427 11.676 -9.560 1.00 0.00 C ATOM 1928 O GLN B 52 -7.277 12.483 -9.186 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.141 12.345 -11.628 1.00 0.00 C ATOM 1930 CG GLN B 52 -6.492 12.029 -12.255 1.00 0.00 C ATOM 1931 CD GLN B 52 -6.526 12.317 -13.744 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -6.753 13.453 -14.163 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -6.302 11.288 -14.551 1.00 0.00 N ATOM 0 H GLN B 52 -3.594 10.750 -10.564 1.00 0.00 H new ATOM 0 HA GLN B 52 -4.856 13.113 -9.642 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -4.880 13.377 -11.861 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -4.384 11.713 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -6.730 10.979 -12.086 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -7.265 12.615 -11.758 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -6.118 10.364 -14.160 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -6.314 11.421 -15.562 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.610 10.359 -9.517 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.849 9.774 -9.020 1.00 0.00 C ATOM 1944 C TRP B 53 -8.134 10.234 -7.594 1.00 0.00 C ATOM 1945 O TRP B 53 -9.273 10.549 -7.248 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.772 8.247 -9.070 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.828 7.694 -10.462 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -7.159 8.159 -11.557 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.597 6.571 -10.909 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -7.463 7.395 -12.658 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.344 6.413 -12.285 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.473 5.682 -10.279 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -8.937 5.403 -13.041 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.060 4.681 -11.031 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -9.789 4.549 -12.397 1.00 0.00 C ATOM 0 H TRP B 53 -5.915 9.677 -9.821 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.664 10.111 -9.661 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.847 7.921 -8.594 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -8.594 7.830 -8.488 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -6.488 9.005 -11.558 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -7.094 7.535 -13.598 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.687 5.775 -9.225 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -8.731 5.299 -14.096 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.739 3.989 -10.555 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.263 3.755 -12.955 1.00 0.00 H new ATOM 1966 N PHE B 54 -7.092 10.271 -6.772 1.00 0.00 N ATOM 1967 CA PHE B 54 -7.229 10.696 -5.383 1.00 0.00 C ATOM 1968 C PHE B 54 -7.564 12.181 -5.298 1.00 0.00 C ATOM 1969 O PHE B 54 -8.210 12.628 -4.351 1.00 0.00 O ATOM 1970 CB PHE B 54 -5.940 10.406 -4.612 1.00 0.00 C ATOM 1971 CG PHE B 54 -5.653 8.939 -4.452 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.086 8.215 -5.488 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -5.950 8.287 -3.266 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -4.821 6.866 -5.344 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -5.687 6.938 -3.118 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.123 6.226 -4.158 1.00 0.00 C ATOM 0 H PHE B 54 -6.143 10.012 -7.042 1.00 0.00 H new ATOM 0 HA PHE B 54 -8.048 10.133 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -5.104 10.877 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -6.005 10.865 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -4.848 8.710 -6.418 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -6.391 8.838 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -4.378 6.313 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -5.923 6.441 -2.189 1.00 0.00 H new ATOM 0 HZ PHE B 54 -4.919 5.172 -4.044 1.00 0.00 H new ATOM 1986 N THR B 55 -7.119 12.943 -6.293 1.00 0.00 N ATOM 1987 CA THR B 55 -7.371 14.377 -6.330 1.00 0.00 C ATOM 1988 C THR B 55 -8.775 14.669 -6.856 1.00 0.00 C ATOM 1989 O THR B 55 -9.452 15.578 -6.376 1.00 0.00 O ATOM 1990 CB THR B 55 -6.307 15.069 -7.184 1.00 0.00 C ATOM 1991 OG1 THR B 55 -5.329 15.681 -6.363 1.00 0.00 O ATOM 1992 CG2 THR B 55 -6.853 16.133 -8.113 1.00 0.00 C ATOM 0 H THR B 55 -6.582 12.589 -7.084 1.00 0.00 H new ATOM 0 HA THR B 55 -7.312 14.771 -5.316 1.00 0.00 H new ATOM 0 HB THR B 55 -5.881 14.274 -7.795 1.00 0.00 H new ATOM 0 HG1 THR B 55 -4.656 16.117 -6.926 1.00 0.00 H new ATOM 0 HG21 THR B 55 -6.035 16.574 -8.682 1.00 0.00 H new ATOM 0 HG22 THR B 55 -7.571 15.683 -8.799 1.00 0.00 H new ATOM 0 HG23 THR B 55 -7.347 16.908 -7.528 1.00 0.00 H new ATOM 2000 N GLU B 56 -9.207 13.893 -7.846 1.00 0.00 N ATOM 2001 CA GLU B 56 -10.530 14.070 -8.435 1.00 0.00 C ATOM 2002 C GLU B 56 -11.621 13.896 -7.384 1.00 0.00 C ATOM 2003 O GLU B 56 -11.537 13.018 -6.526 1.00 0.00 O ATOM 2004 CB GLU B 56 -10.741 13.073 -9.577 1.00 0.00 C ATOM 2005 CG GLU B 56 -9.894 13.368 -10.805 1.00 0.00 C ATOM 2006 CD GLU B 56 -10.137 12.384 -11.933 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -10.784 11.344 -11.685 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -9.684 12.654 -13.065 1.00 0.00 O ATOM 0 H GLU B 56 -8.660 13.136 -8.257 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.591 15.084 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.511 12.069 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -11.793 13.077 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -10.109 14.377 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -8.840 13.345 -10.529 1.00 0.00 H new ATOM 2015 N ASP B 57 -12.646 14.738 -7.460 1.00 0.00 N ATOM 2016 CA ASP B 57 -13.756 14.680 -6.516 1.00 0.00 C ATOM 2017 C ASP B 57 -15.085 14.939 -7.221 1.00 0.00 C ATOM 2018 O ASP B 57 -15.113 15.452 -8.340 1.00 0.00 O ATOM 2019 CB ASP B 57 -13.553 15.699 -5.393 1.00 0.00 C ATOM 2020 CG ASP B 57 -12.834 15.105 -4.197 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -11.585 15.131 -4.182 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -13.521 14.616 -3.275 1.00 0.00 O ATOM 0 H ASP B 57 -12.731 15.469 -8.166 1.00 0.00 H new ATOM 0 HA ASP B 57 -13.783 13.678 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -12.982 16.546 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -14.522 16.085 -5.076 1.00 0.00 H new ATOM 2027 N PRO B 58 -16.209 14.588 -6.572 1.00 0.00 N ATOM 2028 CA PRO B 58 -17.545 14.787 -7.144 1.00 0.00 C ATOM 2029 C PRO B 58 -17.926 16.261 -7.224 1.00 0.00 C ATOM 2030 O PRO B 58 -17.496 17.032 -6.339 1.00 0.00 O ATOM 2031 CB PRO B 58 -18.464 14.050 -6.168 1.00 0.00 C ATOM 2032 CG PRO B 58 -17.723 14.050 -4.876 1.00 0.00 C ATOM 2033 CD PRO B 58 -16.265 13.970 -5.234 1.00 0.00 C ATOM 0 HA PRO B 58 -17.608 14.420 -8.168 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -19.426 14.554 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -18.669 13.034 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -17.935 14.954 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -18.020 13.204 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -15.645 14.507 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -15.911 12.939 -5.252 1.00 0.00 H new TER 2041 PRO B 58