USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 844 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: B 49 THR OG1 : rot -50:sc= 0.695 USER MOD Set 1.2: B 51 THR OG1 : rot 57:sc= 0.214 USER MOD Set 2.1: B 45 TYR OH : rot 180:sc= -2.27 USER MOD Set 2.2: B 50 LYS NZ :NH3+ 163:sc= -2.03 (180deg=-2.64!) USER MOD Set 3.1: B 44 THR OG1 : rot -8:sc= 1.74 USER MOD Set 3.2: B 53 THR OG1 : rot 90:sc= 0.958 USER MOD Set 4.1: B 1 MET CE :methyl 152:sc= -1.22 (180deg=-0.125) USER MOD Set 4.2: B 3 TYR OH : rot 180:sc= -0.837 USER MOD Set 5.1: A 49 THR OG1 : rot -48:sc= 0.648 USER MOD Set 5.2: A 51 THR OG1 : rot 54:sc= 0.219 USER MOD Set 6.1: A 45 TYR OH : rot 180:sc= -2.28 USER MOD Set 6.2: A 50 LYS NZ :NH3+ 165:sc= -2.09 (180deg=-2.62!) USER MOD Set 7.1: A 44 THR OG1 : rot -7:sc= 1.83 USER MOD Set 7.2: A 53 THR OG1 : rot 89:sc= 1.02 USER MOD Set 8.1: A 1 MET CE :methyl 147:sc= -1.22 (180deg=-0.127) USER MOD Set 8.2: A 3 TYR OH : rot 177:sc= -0.833 USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.48 (180deg=1.36) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -132:sc= -0.0713 (180deg=-0.627) USER MOD Single : A 8 ASN : amide:sc= -4.84! C(o=-4.8!,f=-10!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -137:sc= -3! USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00285) USER MOD Single : A 16 THR OG1 : rot 167:sc= -5.13! USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.245 USER MOD Single : A 18 THR OG1 : rot 34:sc= 0.35 USER MOD Single : A 25 THR OG1 : rot -23:sc= -1.25! USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0326 (180deg=-0.254) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.173 (180deg=-0.675) USER MOD Single : A 32 GLN :FLIP amide:sc= -5.11! C(o=-7.1!,f=-5.1!) USER MOD Single : A 35 ASN : amide:sc= -3.55! C(o=-3.5!,f=-4.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -5.98! C(o=-6.5!,f=-6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -176:sc= 1.47 (180deg=1.44) USER MOD Single : B 2 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -131:sc= -0.0742 (180deg=-0.599) USER MOD Single : B 8 ASN : amide:sc= -4.84! C(o=-4.8!,f=-10!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -136:sc= -3! USER MOD Single : B 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00396) USER MOD Single : B 16 THR OG1 : rot 160:sc= -5.1! USER MOD Single : B 17 THR OG1 : rot 29:sc= 0.288 USER MOD Single : B 18 THR OG1 : rot 35:sc= 0.346 USER MOD Single : B 25 THR OG1 : rot -25:sc= -1.17! USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= -0.0333 (180deg=-0.258) USER MOD Single : B 31 LYS NZ :NH3+ 157:sc= -0.154 (180deg=-0.668) USER MOD Single : B 32 GLN :FLIP amide:sc= -5.03! C(o=-7.1!,f=-5!) USER MOD Single : B 35 ASN : amide:sc= -3.55! C(o=-3.5!,f=-4.3!) USER MOD Single : B 37 ASN :FLIP amide:sc= -5.99! C(o=-6.6!,f=-6!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.450 -18.745 1.457 1.00 0.00 N ATOM 2 CA MET A 1 6.578 -17.999 0.840 1.00 0.00 C ATOM 3 C MET A 1 6.417 -16.498 1.066 1.00 0.00 C ATOM 4 O MET A 1 5.324 -16.022 1.374 1.00 0.00 O ATOM 5 CB MET A 1 6.595 -18.298 -0.664 1.00 0.00 C ATOM 6 CG MET A 1 7.947 -18.067 -1.323 1.00 0.00 C ATOM 7 SD MET A 1 7.812 -17.605 -3.062 1.00 0.00 S ATOM 8 CE MET A 1 6.787 -18.925 -3.704 1.00 0.00 C ATOM 0 H1 MET A 1 5.636 -19.767 1.397 1.00 0.00 H new ATOM 0 H2 MET A 1 5.355 -18.468 2.455 1.00 0.00 H new ATOM 0 H3 MET A 1 4.569 -18.523 0.951 1.00 0.00 H new ATOM 0 HA MET A 1 7.515 -18.314 1.299 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.297 -19.335 -0.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.850 -17.674 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.479 -17.283 -0.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.546 -18.974 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.155 -18.539 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.421 -19.721 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.160 -19.320 -2.905 1.00 0.00 H new ATOM 20 N GLN A 2 7.499 -15.752 0.880 1.00 0.00 N ATOM 21 CA GLN A 2 7.465 -14.305 1.031 1.00 0.00 C ATOM 22 C GLN A 2 7.295 -13.657 -0.336 1.00 0.00 C ATOM 23 O GLN A 2 7.942 -14.056 -1.304 1.00 0.00 O ATOM 24 CB GLN A 2 8.748 -13.802 1.698 1.00 0.00 C ATOM 25 CG GLN A 2 8.782 -12.292 1.892 1.00 0.00 C ATOM 26 CD GLN A 2 10.055 -11.789 2.562 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.972 -12.695 2.895 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 10.211 -10.588 2.778 1.00 0.00 N flip ATOM 0 H GLN A 2 8.412 -16.127 0.624 1.00 0.00 H new ATOM 0 HA GLN A 2 6.622 -14.035 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.858 -14.287 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.604 -14.102 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.677 -11.807 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.923 -11.992 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.486 -9.923 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.065 -10.257 3.226 1.00 0.00 H new ATOM 37 N TYR A 3 6.418 -12.665 -0.422 1.00 0.00 N ATOM 38 CA TYR A 3 6.172 -11.987 -1.687 1.00 0.00 C ATOM 39 C TYR A 3 6.320 -10.480 -1.541 1.00 0.00 C ATOM 40 O TYR A 3 5.986 -9.912 -0.503 1.00 0.00 O ATOM 41 CB TYR A 3 4.775 -12.327 -2.205 1.00 0.00 C ATOM 42 CG TYR A 3 4.565 -13.804 -2.455 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.256 -14.667 -1.410 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.680 -14.334 -3.733 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.068 -16.017 -1.634 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.492 -15.683 -3.965 1.00 0.00 C ATOM 47 CZ TYR A 3 4.186 -16.520 -2.913 1.00 0.00 C ATOM 48 OH TYR A 3 4.000 -17.864 -3.139 1.00 0.00 O ATOM 0 H TYR A 3 5.869 -12.314 0.363 1.00 0.00 H new ATOM 0 HA TYR A 3 6.915 -12.334 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.035 -11.980 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.597 -11.781 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.161 -14.276 -0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.920 -13.681 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.830 -16.675 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.584 -16.080 -4.965 1.00 0.00 H new ATOM 0 HH TYR A 3 4.070 -18.047 -4.099 1.00 0.00 H new ATOM 58 N LYS A 4 6.816 -9.842 -2.593 1.00 0.00 N ATOM 59 CA LYS A 4 7.003 -8.398 -2.591 1.00 0.00 C ATOM 60 C LYS A 4 5.997 -7.735 -3.521 1.00 0.00 C ATOM 61 O LYS A 4 6.105 -7.839 -4.741 1.00 0.00 O ATOM 62 CB LYS A 4 8.427 -8.040 -3.023 1.00 0.00 C ATOM 63 CG LYS A 4 8.690 -6.543 -3.070 1.00 0.00 C ATOM 64 CD LYS A 4 10.115 -6.237 -3.501 1.00 0.00 C ATOM 65 CE LYS A 4 11.129 -6.789 -2.512 1.00 0.00 C ATOM 66 NZ LYS A 4 10.956 -6.201 -1.153 1.00 0.00 N ATOM 0 H LYS A 4 7.096 -10.303 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 4 6.843 -8.033 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.134 -8.503 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.617 -8.465 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.991 -6.072 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.506 -6.110 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.297 -6.665 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.245 -5.159 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.027 -7.873 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.137 -6.582 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.879 -5.888 -0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.311 -5.387 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.557 -6.917 -0.513 1.00 0.00 H new ATOM 80 N VAL A 5 5.018 -7.058 -2.942 1.00 0.00 N ATOM 81 CA VAL A 5 3.995 -6.388 -3.728 1.00 0.00 C ATOM 82 C VAL A 5 4.361 -4.928 -3.965 1.00 0.00 C ATOM 83 O VAL A 5 4.764 -4.218 -3.045 1.00 0.00 O ATOM 84 CB VAL A 5 2.616 -6.472 -3.040 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.542 -5.800 -3.886 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.251 -7.922 -2.760 1.00 0.00 C ATOM 0 H VAL A 5 4.910 -6.958 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 5 3.937 -6.900 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 5 2.676 -5.940 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.580 -5.873 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.797 -4.750 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.480 -6.295 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.276 -7.965 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.214 -8.476 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.001 -8.366 -2.106 1.00 0.00 H new ATOM 96 N ILE A 6 4.212 -4.490 -5.207 1.00 0.00 N ATOM 97 CA ILE A 6 4.519 -3.115 -5.574 1.00 0.00 C ATOM 98 C ILE A 6 3.232 -2.335 -5.798 1.00 0.00 C ATOM 99 O ILE A 6 2.340 -2.781 -6.521 1.00 0.00 O ATOM 100 CB ILE A 6 5.404 -3.047 -6.834 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.671 -3.875 -6.631 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.765 -1.604 -7.154 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.558 -3.934 -7.856 1.00 0.00 C ATOM 0 H ILE A 6 3.880 -5.068 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 6 5.076 -2.667 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 6 4.845 -3.458 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.240 -3.456 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.391 -4.889 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.390 -1.575 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.854 -1.032 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.310 -1.171 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.439 -4.538 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.006 -4.380 -8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.869 -2.926 -8.129 1.00 0.00 H new ATOM 115 N LEU A 7 3.131 -1.182 -5.154 1.00 0.00 N ATOM 116 CA LEU A 7 1.940 -0.351 -5.257 1.00 0.00 C ATOM 117 C LEU A 7 2.204 0.873 -6.134 1.00 0.00 C ATOM 118 O LEU A 7 2.684 1.899 -5.652 1.00 0.00 O ATOM 119 CB LEU A 7 1.498 0.075 -3.855 1.00 0.00 C ATOM 120 CG LEU A 7 1.621 -1.016 -2.793 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.099 -0.516 -1.454 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.881 -2.271 -3.238 1.00 0.00 C ATOM 0 H LEU A 7 3.861 -0.799 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 7 1.143 -0.928 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.093 0.934 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.460 0.405 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 7 2.674 -1.270 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.194 -1.306 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.678 0.352 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.050 -0.236 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.977 -3.041 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.173 -2.038 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.309 -2.634 -4.172 1.00 0.00 H new ATOM 134 N ASN A 8 1.894 0.755 -7.424 1.00 0.00 N ATOM 135 CA ASN A 8 2.105 1.848 -8.369 1.00 0.00 C ATOM 136 C ASN A 8 0.816 2.624 -8.623 1.00 0.00 C ATOM 137 O ASN A 8 -0.076 2.150 -9.322 1.00 0.00 O ATOM 138 CB ASN A 8 2.642 1.306 -9.695 1.00 0.00 C ATOM 139 CG ASN A 8 3.994 0.642 -9.548 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.133 -0.351 -8.839 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.000 1.191 -10.220 1.00 0.00 N ATOM 0 H ASN A 8 1.496 -0.088 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 8 2.834 2.527 -7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.931 0.588 -10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.719 2.123 -10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.935 0.787 -10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.838 2.016 -10.797 1.00 0.00 H new ATOM 148 N GLY A 9 0.720 3.820 -8.055 1.00 0.00 N ATOM 149 CA GLY A 9 -0.469 4.630 -8.245 1.00 0.00 C ATOM 150 C GLY A 9 -0.209 5.845 -9.109 1.00 0.00 C ATOM 151 O GLY A 9 0.853 5.965 -9.720 1.00 0.00 O ATOM 0 H GLY A 9 1.440 4.242 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.249 4.022 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.845 4.952 -7.274 1.00 0.00 H new ATOM 155 N LYS A 10 -1.183 6.743 -9.164 1.00 0.00 N ATOM 156 CA LYS A 10 -1.059 7.951 -9.963 1.00 0.00 C ATOM 157 C LYS A 10 -0.019 8.902 -9.379 1.00 0.00 C ATOM 158 O LYS A 10 0.887 9.353 -10.078 1.00 0.00 O ATOM 159 CB LYS A 10 -2.408 8.665 -10.063 1.00 0.00 C ATOM 160 CG LYS A 10 -3.427 7.929 -10.913 1.00 0.00 C ATOM 161 CD LYS A 10 -3.040 7.943 -12.382 1.00 0.00 C ATOM 162 CE LYS A 10 -4.095 7.266 -13.242 1.00 0.00 C ATOM 163 NZ LYS A 10 -3.752 7.316 -14.689 1.00 0.00 N ATOM 0 H LYS A 10 -2.068 6.656 -8.664 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.731 7.653 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.813 8.799 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.252 9.660 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.514 6.899 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.407 8.390 -10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.904 8.972 -12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.083 7.437 -12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.204 6.227 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.059 7.749 -13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.497 6.843 -15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.673 8.307 -14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.845 6.832 -14.848 1.00 0.00 H new ATOM 177 N THR A 11 -0.170 9.220 -8.096 1.00 0.00 N ATOM 178 CA THR A 11 0.732 10.132 -7.416 1.00 0.00 C ATOM 179 C THR A 11 1.393 9.461 -6.223 1.00 0.00 C ATOM 180 O THR A 11 1.915 10.133 -5.333 1.00 0.00 O ATOM 181 CB THR A 11 -0.055 11.343 -6.938 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.240 10.929 -6.286 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.454 12.285 -8.050 1.00 0.00 C ATOM 0 H THR A 11 -0.917 8.853 -7.506 1.00 0.00 H new ATOM 0 HA THR A 11 1.512 10.435 -8.115 1.00 0.00 H new ATOM 0 HB THR A 11 0.615 11.876 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.986 11.497 -6.572 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.012 13.124 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.440 12.656 -8.551 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.079 11.755 -8.769 1.00 0.00 H new ATOM 191 N LEU A 12 1.354 8.139 -6.197 1.00 0.00 N ATOM 192 CA LEU A 12 1.935 7.391 -5.101 1.00 0.00 C ATOM 193 C LEU A 12 2.626 6.132 -5.609 1.00 0.00 C ATOM 194 O LEU A 12 2.128 5.454 -6.508 1.00 0.00 O ATOM 195 CB LEU A 12 0.846 7.050 -4.083 1.00 0.00 C ATOM 196 CG LEU A 12 1.300 6.211 -2.895 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.515 6.849 -2.252 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.171 6.052 -1.885 1.00 0.00 C ATOM 0 H LEU A 12 0.926 7.565 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 12 2.693 8.004 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.420 7.980 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.046 6.518 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 12 1.572 5.216 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.836 6.246 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.323 6.909 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.261 7.852 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.517 5.450 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.136 7.034 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.676 5.558 -2.361 1.00 0.00 H new ATOM 210 N LYS A 13 3.777 5.825 -5.020 1.00 0.00 N ATOM 211 CA LYS A 13 4.544 4.644 -5.401 1.00 0.00 C ATOM 212 C LYS A 13 5.231 4.044 -4.182 1.00 0.00 C ATOM 213 O LYS A 13 5.616 4.766 -3.266 1.00 0.00 O ATOM 214 CB LYS A 13 5.591 4.997 -6.462 1.00 0.00 C ATOM 215 CG LYS A 13 5.025 5.753 -7.653 1.00 0.00 C ATOM 216 CD LYS A 13 4.982 7.252 -7.401 1.00 0.00 C ATOM 217 CE LYS A 13 4.378 7.996 -8.580 1.00 0.00 C ATOM 218 NZ LYS A 13 4.326 9.466 -8.342 1.00 0.00 N ATOM 0 H LYS A 13 4.200 6.379 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 13 3.854 3.912 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.374 5.598 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.060 4.079 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.633 5.550 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.020 5.392 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.398 7.455 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.991 7.620 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.965 7.794 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.371 7.623 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.877 9.934 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.773 9.659 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.292 9.833 -8.222 1.00 0.00 H new ATOM 232 N GLY A 14 5.389 2.725 -4.171 1.00 0.00 N ATOM 233 CA GLY A 14 6.034 2.083 -3.042 1.00 0.00 C ATOM 234 C GLY A 14 6.237 0.594 -3.233 1.00 0.00 C ATOM 235 O GLY A 14 5.961 0.048 -4.301 1.00 0.00 O ATOM 0 H GLY A 14 5.086 2.096 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.001 2.555 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.434 2.249 -2.147 1.00 0.00 H new ATOM 239 N GLU A 15 6.716 -0.058 -2.180 1.00 0.00 N ATOM 240 CA GLU A 15 6.958 -1.494 -2.205 1.00 0.00 C ATOM 241 C GLU A 15 6.585 -2.117 -0.865 1.00 0.00 C ATOM 242 O GLU A 15 6.939 -1.601 0.195 1.00 0.00 O ATOM 243 CB GLU A 15 8.425 -1.785 -2.532 1.00 0.00 C ATOM 244 CG GLU A 15 8.860 -1.264 -3.893 1.00 0.00 C ATOM 245 CD GLU A 15 10.310 -1.577 -4.205 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.981 -2.203 -3.357 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.777 -1.196 -5.300 1.00 0.00 O ATOM 0 H GLU A 15 6.946 0.390 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 15 6.334 -1.935 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.055 -1.339 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.590 -2.862 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.225 -1.700 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.710 -0.185 -3.929 1.00 0.00 H new ATOM 254 N THR A 16 5.861 -3.224 -0.926 1.00 0.00 N ATOM 255 CA THR A 16 5.424 -3.924 0.273 1.00 0.00 C ATOM 256 C THR A 16 5.666 -5.428 0.152 1.00 0.00 C ATOM 257 O THR A 16 5.986 -5.925 -0.926 1.00 0.00 O ATOM 258 CB THR A 16 3.947 -3.626 0.541 1.00 0.00 C ATOM 259 OG1 THR A 16 3.389 -4.608 1.378 1.00 0.00 O ATOM 260 CG2 THR A 16 3.101 -3.553 -0.712 1.00 0.00 C ATOM 0 H THR A 16 5.562 -3.659 -1.799 1.00 0.00 H new ATOM 0 HA THR A 16 6.012 -3.566 1.118 1.00 0.00 H new ATOM 0 HB THR A 16 3.936 -2.644 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.519 -4.301 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.067 -3.339 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.478 -2.762 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.148 -4.506 -1.239 1.00 0.00 H new ATOM 268 N THR A 17 5.539 -6.148 1.268 1.00 0.00 N ATOM 269 CA THR A 17 5.774 -7.590 1.269 1.00 0.00 C ATOM 270 C THR A 17 4.825 -8.351 2.198 1.00 0.00 C ATOM 271 O THR A 17 4.819 -8.136 3.411 1.00 0.00 O ATOM 272 CB THR A 17 7.218 -7.882 1.673 1.00 0.00 C ATOM 273 OG1 THR A 17 7.518 -7.285 2.922 1.00 0.00 O ATOM 274 CG2 THR A 17 8.235 -7.386 0.667 1.00 0.00 C ATOM 0 H THR A 17 5.277 -5.759 2.174 1.00 0.00 H new ATOM 0 HA THR A 17 5.582 -7.938 0.254 1.00 0.00 H new ATOM 0 HB THR A 17 7.289 -8.968 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.708 -7.255 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.239 -7.626 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.060 -7.868 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.139 -6.306 0.554 1.00 0.00 H new ATOM 282 N THR A 18 4.046 -9.260 1.614 1.00 0.00 N ATOM 283 CA THR A 18 3.107 -10.086 2.370 1.00 0.00 C ATOM 284 C THR A 18 3.610 -11.531 2.413 1.00 0.00 C ATOM 285 O THR A 18 4.197 -12.019 1.446 1.00 0.00 O ATOM 286 CB THR A 18 1.717 -10.040 1.728 1.00 0.00 C ATOM 287 OG1 THR A 18 0.766 -10.677 2.558 1.00 0.00 O ATOM 288 CG2 THR A 18 1.659 -10.702 0.368 1.00 0.00 C ATOM 0 H THR A 18 4.048 -9.444 0.611 1.00 0.00 H new ATOM 0 HA THR A 18 3.036 -9.696 3.385 1.00 0.00 H new ATOM 0 HB THR A 18 1.490 -8.981 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.997 -10.524 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.646 -10.632 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.349 -10.200 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.941 -11.751 0.462 1.00 0.00 H new ATOM 296 N GLU A 19 3.380 -12.210 3.530 1.00 0.00 N ATOM 297 CA GLU A 19 3.812 -13.599 3.685 1.00 0.00 C ATOM 298 C GLU A 19 2.619 -14.543 3.570 1.00 0.00 C ATOM 299 O GLU A 19 1.702 -14.493 4.390 1.00 0.00 O ATOM 300 CB GLU A 19 4.497 -13.783 5.043 1.00 0.00 C ATOM 301 CG GLU A 19 4.933 -15.213 5.327 1.00 0.00 C ATOM 302 CD GLU A 19 5.939 -15.733 4.320 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.007 -15.103 4.169 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.662 -16.772 3.687 1.00 0.00 O ATOM 0 H GLU A 19 2.898 -11.825 4.342 1.00 0.00 H new ATOM 0 HA GLU A 19 4.521 -13.836 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.370 -13.132 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.815 -13.459 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.367 -15.264 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.057 -15.862 5.326 1.00 0.00 H new ATOM 311 N ALA A 20 2.624 -15.398 2.547 1.00 0.00 N ATOM 312 CA ALA A 20 1.523 -16.336 2.345 1.00 0.00 C ATOM 313 C ALA A 20 1.995 -17.644 1.713 1.00 0.00 C ATOM 314 O ALA A 20 2.994 -17.683 0.994 1.00 0.00 O ATOM 315 CB ALA A 20 0.444 -15.696 1.487 1.00 0.00 C ATOM 0 H ALA A 20 3.369 -15.460 1.854 1.00 0.00 H new ATOM 0 HA ALA A 20 1.111 -16.578 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.373 -16.403 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.066 -14.802 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.863 -15.423 0.519 1.00 0.00 H new ATOM 321 N VAL A 21 1.270 -18.717 2.015 1.00 0.00 N ATOM 322 CA VAL A 21 1.597 -20.051 1.517 1.00 0.00 C ATOM 323 C VAL A 21 1.803 -20.062 0.001 1.00 0.00 C ATOM 324 O VAL A 21 2.529 -20.905 -0.525 1.00 0.00 O ATOM 325 CB VAL A 21 0.487 -21.058 1.872 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.902 -22.472 1.494 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.138 -20.967 3.349 1.00 0.00 C ATOM 0 H VAL A 21 0.442 -18.688 2.610 1.00 0.00 H new ATOM 0 HA VAL A 21 2.530 -20.341 2.000 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.404 -20.806 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.104 -23.167 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.092 -22.521 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.808 -22.742 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.648 -21.685 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.022 -21.190 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.211 -19.960 3.579 1.00 0.00 H new ATOM 337 N ASP A 22 1.177 -19.120 -0.695 1.00 0.00 N ATOM 338 CA ASP A 22 1.319 -19.038 -2.146 1.00 0.00 C ATOM 339 C ASP A 22 1.005 -17.636 -2.656 1.00 0.00 C ATOM 340 O ASP A 22 0.600 -16.762 -1.890 1.00 0.00 O ATOM 341 CB ASP A 22 0.422 -20.071 -2.835 1.00 0.00 C ATOM 342 CG ASP A 22 -1.051 -19.809 -2.615 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.547 -18.775 -3.106 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.711 -20.636 -1.952 1.00 0.00 O ATOM 0 H ASP A 22 0.572 -18.409 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 22 2.358 -19.259 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.630 -20.070 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.669 -21.065 -2.463 1.00 0.00 H new ATOM 349 N ALA A 23 1.202 -17.426 -3.953 1.00 0.00 N ATOM 350 CA ALA A 23 0.948 -16.127 -4.563 1.00 0.00 C ATOM 351 C ALA A 23 -0.504 -15.709 -4.395 1.00 0.00 C ATOM 352 O ALA A 23 -0.795 -14.556 -4.083 1.00 0.00 O ATOM 353 CB ALA A 23 1.329 -16.151 -6.035 1.00 0.00 C ATOM 0 H ALA A 23 1.537 -18.139 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 23 1.566 -15.390 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.134 -15.174 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.388 -16.389 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.738 -16.908 -6.551 1.00 0.00 H new ATOM 359 N ALA A 24 -1.414 -16.653 -4.592 1.00 0.00 N ATOM 360 CA ALA A 24 -2.835 -16.371 -4.448 1.00 0.00 C ATOM 361 C ALA A 24 -3.142 -15.967 -3.017 1.00 0.00 C ATOM 362 O ALA A 24 -3.690 -14.893 -2.771 1.00 0.00 O ATOM 363 CB ALA A 24 -3.666 -17.577 -4.861 1.00 0.00 C ATOM 0 H ALA A 24 -1.195 -17.615 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.097 -15.543 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.725 -17.346 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.459 -17.822 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.410 -18.428 -4.230 1.00 0.00 H new ATOM 369 N THR A 25 -2.754 -16.815 -2.069 1.00 0.00 N ATOM 370 CA THR A 25 -2.961 -16.523 -0.665 1.00 0.00 C ATOM 371 C THR A 25 -2.417 -15.140 -0.353 1.00 0.00 C ATOM 372 O THR A 25 -3.085 -14.325 0.282 1.00 0.00 O ATOM 373 CB THR A 25 -2.268 -17.577 0.200 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.894 -17.668 -0.124 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.867 -18.959 0.058 1.00 0.00 C ATOM 0 H THR A 25 -2.296 -17.707 -2.253 1.00 0.00 H new ATOM 0 HA THR A 25 -4.028 -16.545 -0.444 1.00 0.00 H new ATOM 0 HB THR A 25 -2.409 -17.243 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.750 -17.335 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.328 -19.657 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.916 -18.933 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.789 -19.284 -0.979 1.00 0.00 H new ATOM 383 N ALA A 26 -1.208 -14.863 -0.844 1.00 0.00 N ATOM 384 CA ALA A 26 -0.598 -13.558 -0.651 1.00 0.00 C ATOM 385 C ALA A 26 -1.494 -12.494 -1.265 1.00 0.00 C ATOM 386 O ALA A 26 -1.871 -11.526 -0.606 1.00 0.00 O ATOM 387 CB ALA A 26 0.792 -13.520 -1.267 1.00 0.00 C ATOM 0 H ALA A 26 -0.640 -15.524 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.490 -13.362 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.232 -12.535 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.420 -14.276 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.722 -13.722 -2.336 1.00 0.00 H new ATOM 393 N GLU A 27 -1.851 -12.699 -2.533 1.00 0.00 N ATOM 394 CA GLU A 27 -2.725 -11.779 -3.247 1.00 0.00 C ATOM 395 C GLU A 27 -3.989 -11.510 -2.441 1.00 0.00 C ATOM 396 O GLU A 27 -4.389 -10.361 -2.261 1.00 0.00 O ATOM 397 CB GLU A 27 -3.093 -12.371 -4.609 1.00 0.00 C ATOM 398 CG GLU A 27 -4.043 -11.513 -5.426 1.00 0.00 C ATOM 399 CD GLU A 27 -3.459 -10.161 -5.783 1.00 0.00 C ATOM 400 OE1 GLU A 27 -2.306 -9.887 -5.384 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.153 -9.377 -6.463 1.00 0.00 O ATOM 0 H GLU A 27 -1.544 -13.500 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.198 -10.836 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.180 -12.529 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.546 -13.350 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.306 -12.042 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.966 -11.368 -4.865 1.00 0.00 H new ATOM 408 N LYS A 28 -4.603 -12.583 -1.947 1.00 0.00 N ATOM 409 CA LYS A 28 -5.816 -12.472 -1.147 1.00 0.00 C ATOM 410 C LYS A 28 -5.532 -11.730 0.149 1.00 0.00 C ATOM 411 O LYS A 28 -6.276 -10.829 0.537 1.00 0.00 O ATOM 412 CB LYS A 28 -6.384 -13.860 -0.844 1.00 0.00 C ATOM 413 CG LYS A 28 -6.769 -14.640 -2.090 1.00 0.00 C ATOM 414 CD LYS A 28 -7.717 -13.840 -2.965 1.00 0.00 C ATOM 415 CE LYS A 28 -8.099 -14.607 -4.221 1.00 0.00 C ATOM 416 NZ LYS A 28 -6.909 -14.946 -5.049 1.00 0.00 N ATOM 0 H LYS A 28 -4.278 -13.540 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.554 -11.908 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.646 -14.431 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.261 -13.754 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.872 -14.892 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.240 -15.580 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.616 -13.595 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.248 -12.896 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.620 -15.523 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.795 -14.012 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.218 -15.234 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.290 -14.114 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.387 -15.727 -4.603 1.00 0.00 H new ATOM 430 N VAL A 29 -4.444 -12.106 0.812 1.00 0.00 N ATOM 431 CA VAL A 29 -4.059 -11.466 2.060 1.00 0.00 C ATOM 432 C VAL A 29 -3.858 -9.973 1.845 1.00 0.00 C ATOM 433 O VAL A 29 -4.278 -9.156 2.664 1.00 0.00 O ATOM 434 CB VAL A 29 -2.771 -12.084 2.641 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.375 -11.392 3.935 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.950 -13.579 2.864 1.00 0.00 C ATOM 0 H VAL A 29 -3.816 -12.849 0.505 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.866 -11.627 2.775 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.967 -11.937 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.464 -11.845 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.200 -10.333 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.177 -11.501 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.031 -13.998 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.769 -13.747 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.178 -14.064 1.915 1.00 0.00 H new ATOM 446 N VAL A 30 -3.236 -9.621 0.728 1.00 0.00 N ATOM 447 CA VAL A 30 -3.014 -8.223 0.401 1.00 0.00 C ATOM 448 C VAL A 30 -4.361 -7.523 0.266 1.00 0.00 C ATOM 449 O VAL A 30 -4.554 -6.426 0.785 1.00 0.00 O ATOM 450 CB VAL A 30 -2.215 -8.058 -0.904 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.827 -6.600 -1.106 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.980 -8.952 -0.896 1.00 0.00 C ATOM 0 H VAL A 30 -2.879 -10.282 0.038 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.429 -7.776 1.205 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.847 -8.364 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.262 -6.499 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.727 -5.988 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.213 -6.268 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.429 -8.820 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.341 -8.682 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.286 -9.994 -0.800 1.00 0.00 H new ATOM 462 N LYS A 31 -5.304 -8.169 -0.428 1.00 0.00 N ATOM 463 CA LYS A 31 -6.640 -7.599 -0.607 1.00 0.00 C ATOM 464 C LYS A 31 -7.165 -7.082 0.723 1.00 0.00 C ATOM 465 O LYS A 31 -7.610 -5.941 0.833 1.00 0.00 O ATOM 466 CB LYS A 31 -7.617 -8.636 -1.170 1.00 0.00 C ATOM 467 CG LYS A 31 -7.180 -9.265 -2.483 1.00 0.00 C ATOM 468 CD LYS A 31 -6.532 -8.250 -3.407 1.00 0.00 C ATOM 469 CE LYS A 31 -6.359 -8.799 -4.813 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.659 -9.198 -5.418 1.00 0.00 N ATOM 0 H LYS A 31 -5.168 -9.078 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.561 -6.777 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.755 -9.426 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.588 -8.162 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.478 -10.074 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.044 -9.708 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.142 -7.348 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.560 -7.962 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.883 -8.046 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.691 -9.660 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.576 -9.192 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.913 -10.154 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.398 -8.527 -5.126 1.00 0.00 H new ATOM 484 N GLN A 32 -7.087 -7.937 1.735 1.00 0.00 N ATOM 485 CA GLN A 32 -7.532 -7.575 3.073 1.00 0.00 C ATOM 486 C GLN A 32 -6.751 -6.359 3.563 1.00 0.00 C ATOM 487 O GLN A 32 -7.288 -5.495 4.255 1.00 0.00 O ATOM 488 CB GLN A 32 -7.381 -8.775 4.023 1.00 0.00 C ATOM 489 CG GLN A 32 -7.489 -8.427 5.504 1.00 0.00 C ATOM 490 CD GLN A 32 -6.225 -7.808 6.099 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.128 -7.776 5.340 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -6.234 -7.373 7.250 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.720 -8.885 1.654 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.588 -7.307 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.145 -9.513 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.414 -9.245 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.319 -7.734 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.733 -9.332 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.090 -7.413 7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.386 -6.973 7.651 1.00 0.00 H new ATOM 501 N PHE A 33 -5.478 -6.300 3.187 1.00 0.00 N ATOM 502 CA PHE A 33 -4.604 -5.197 3.566 1.00 0.00 C ATOM 503 C PHE A 33 -5.219 -3.859 3.142 1.00 0.00 C ATOM 504 O PHE A 33 -5.541 -3.016 3.977 1.00 0.00 O ATOM 505 CB PHE A 33 -3.232 -5.390 2.907 1.00 0.00 C ATOM 506 CG PHE A 33 -2.167 -4.466 3.410 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.550 -4.711 4.622 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.776 -3.358 2.669 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.564 -3.869 5.092 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.788 -2.513 3.139 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.185 -2.772 4.353 1.00 0.00 C ATOM 0 H PHE A 33 -5.025 -7.012 2.614 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.484 -5.186 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.908 -6.418 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.337 -5.252 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.843 -5.570 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.247 -3.155 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.089 -4.071 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.489 -1.653 2.558 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.586 -2.112 4.724 1.00 0.00 H new ATOM 521 N PHE A 34 -5.392 -3.694 1.837 1.00 0.00 N ATOM 522 CA PHE A 34 -5.981 -2.477 1.280 1.00 0.00 C ATOM 523 C PHE A 34 -7.460 -2.395 1.615 1.00 0.00 C ATOM 524 O PHE A 34 -7.977 -1.326 1.934 1.00 0.00 O ATOM 525 CB PHE A 34 -5.739 -2.423 -0.223 1.00 0.00 C ATOM 526 CG PHE A 34 -4.277 -2.411 -0.534 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.437 -1.528 0.124 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.736 -3.292 -1.449 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.085 -1.524 -0.126 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.379 -3.291 -1.709 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.556 -2.404 -1.043 1.00 0.00 C ATOM 0 H PHE A 34 -5.132 -4.390 1.139 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.499 -1.609 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.208 -3.283 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.209 -1.532 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.849 -0.834 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.379 -3.988 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.440 -0.832 0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.964 -3.980 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.495 -2.401 -1.242 1.00 0.00 H new ATOM 541 N ASN A 35 -8.133 -3.533 1.566 1.00 0.00 N ATOM 542 CA ASN A 35 -9.550 -3.597 1.894 1.00 0.00 C ATOM 543 C ASN A 35 -9.804 -2.918 3.234 1.00 0.00 C ATOM 544 O ASN A 35 -10.810 -2.234 3.431 1.00 0.00 O ATOM 545 CB ASN A 35 -9.989 -5.057 1.971 1.00 0.00 C ATOM 546 CG ASN A 35 -11.461 -5.210 2.277 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.977 -4.631 3.234 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.139 -6.012 1.475 1.00 0.00 N ATOM 0 H ASN A 35 -7.721 -4.428 1.302 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.120 -3.084 1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.766 -5.549 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.408 -5.566 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.133 -6.173 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.668 -6.470 0.695 1.00 0.00 H new ATOM 555 N ASP A 36 -8.870 -3.129 4.152 1.00 0.00 N ATOM 556 CA ASP A 36 -8.953 -2.560 5.495 1.00 0.00 C ATOM 557 C ASP A 36 -8.199 -1.234 5.617 1.00 0.00 C ATOM 558 O ASP A 36 -8.505 -0.429 6.496 1.00 0.00 O ATOM 559 CB ASP A 36 -8.429 -3.559 6.528 1.00 0.00 C ATOM 560 CG ASP A 36 -9.267 -4.822 6.588 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.386 -5.505 5.549 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.804 -5.128 7.673 1.00 0.00 O ATOM 0 H ASP A 36 -8.037 -3.696 3.990 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.005 -2.352 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.399 -3.821 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.416 -3.088 7.511 1.00 0.00 H new ATOM 567 N ASN A 37 -7.223 -0.992 4.739 1.00 0.00 N ATOM 568 CA ASN A 37 -6.472 0.262 4.793 1.00 0.00 C ATOM 569 C ASN A 37 -7.249 1.369 4.094 1.00 0.00 C ATOM 570 O ASN A 37 -7.390 2.470 4.624 1.00 0.00 O ATOM 571 CB ASN A 37 -5.093 0.121 4.137 1.00 0.00 C ATOM 572 CG ASN A 37 -4.180 -0.838 4.873 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.439 -1.646 4.122 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.115 -0.831 6.103 1.00 0.00 N flip ATOM 0 H ASN A 37 -6.939 -1.633 3.998 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.330 0.515 5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.219 -0.223 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.618 1.101 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.702 -0.194 6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.474 -1.462 6.583 1.00 0.00 H new ATOM 581 N GLY A 38 -7.751 1.046 2.902 1.00 0.00 N ATOM 582 CA GLY A 38 -8.527 1.973 2.090 1.00 0.00 C ATOM 583 C GLY A 38 -8.886 3.287 2.761 1.00 0.00 C ATOM 584 O GLY A 38 -8.022 4.127 3.017 1.00 0.00 O ATOM 0 H GLY A 38 -7.628 0.128 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.966 2.191 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.448 1.477 1.784 1.00 0.00 H new ATOM 588 N VAL A 39 -10.183 3.493 2.968 1.00 0.00 N ATOM 589 CA VAL A 39 -10.684 4.744 3.532 1.00 0.00 C ATOM 590 C VAL A 39 -11.238 4.612 4.947 1.00 0.00 C ATOM 591 O VAL A 39 -11.778 5.579 5.486 1.00 0.00 O ATOM 592 CB VAL A 39 -11.808 5.293 2.646 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.230 6.686 3.094 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.395 5.295 1.183 1.00 0.00 C ATOM 0 H VAL A 39 -10.908 2.809 2.753 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.824 5.412 3.574 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.669 4.633 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.028 7.050 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.587 6.645 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.377 7.362 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.210 5.689 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.512 5.921 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.167 4.277 0.868 1.00 0.00 H new ATOM 604 N ASP A 40 -11.124 3.447 5.563 1.00 0.00 N ATOM 605 CA ASP A 40 -11.641 3.270 6.918 1.00 0.00 C ATOM 606 C ASP A 40 -10.567 2.757 7.880 1.00 0.00 C ATOM 607 O ASP A 40 -10.877 2.330 8.991 1.00 0.00 O ATOM 608 CB ASP A 40 -12.826 2.303 6.908 1.00 0.00 C ATOM 609 CG ASP A 40 -13.975 2.803 6.053 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.762 3.014 4.839 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.084 2.984 6.595 1.00 0.00 O ATOM 0 H ASP A 40 -10.686 2.619 5.158 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.966 4.249 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.496 1.333 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.176 2.151 7.929 1.00 0.00 H new ATOM 616 N GLY A 41 -9.307 2.791 7.451 1.00 0.00 N ATOM 617 CA GLY A 41 -8.223 2.315 8.296 1.00 0.00 C ATOM 618 C GLY A 41 -7.748 3.354 9.300 1.00 0.00 C ATOM 619 O GLY A 41 -8.194 4.501 9.278 1.00 0.00 O ATOM 0 H GLY A 41 -9.018 3.138 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.552 1.425 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.384 2.016 7.667 1.00 0.00 H new ATOM 623 N GLU A 42 -6.829 2.945 10.175 1.00 0.00 N ATOM 624 CA GLU A 42 -6.274 3.838 11.189 1.00 0.00 C ATOM 625 C GLU A 42 -4.911 4.353 10.741 1.00 0.00 C ATOM 626 O GLU A 42 -3.917 3.629 10.794 1.00 0.00 O ATOM 627 CB GLU A 42 -6.141 3.117 12.536 1.00 0.00 C ATOM 628 CG GLU A 42 -7.457 2.580 13.081 1.00 0.00 C ATOM 629 CD GLU A 42 -7.958 1.360 12.328 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.220 0.848 11.462 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.087 0.909 12.616 1.00 0.00 O ATOM 0 H GLU A 42 -6.453 1.997 10.201 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.955 4.680 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.440 2.290 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.711 3.805 13.264 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.331 2.324 14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.211 3.365 13.032 1.00 0.00 H new ATOM 638 N TRP A 43 -4.874 5.595 10.273 1.00 0.00 N ATOM 639 CA TRP A 43 -3.636 6.189 9.782 1.00 0.00 C ATOM 640 C TRP A 43 -2.933 7.042 10.832 1.00 0.00 C ATOM 641 O TRP A 43 -3.464 8.056 11.284 1.00 0.00 O ATOM 642 CB TRP A 43 -3.926 7.062 8.563 1.00 0.00 C ATOM 643 CG TRP A 43 -4.542 6.321 7.418 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.560 5.413 7.467 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.176 6.445 6.045 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.846 4.962 6.201 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.009 5.584 5.311 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.223 7.203 5.365 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.917 5.461 3.929 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.130 7.083 3.995 1.00 0.00 C ATOM 651 CH2 TRP A 43 -3.974 6.218 3.288 1.00 0.00 C ATOM 0 H TRP A 43 -5.686 6.210 10.223 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.976 5.362 9.522 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.592 7.872 8.859 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.996 7.521 8.228 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.066 5.096 8.367 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.563 4.277 5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.569 7.873 5.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.566 4.793 3.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.395 7.665 3.459 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.879 6.147 2.215 1.00 0.00 H new ATOM 662 N THR A 44 -1.716 6.643 11.190 1.00 0.00 N ATOM 663 CA THR A 44 -0.917 7.389 12.152 1.00 0.00 C ATOM 664 C THR A 44 0.149 8.194 11.413 1.00 0.00 C ATOM 665 O THR A 44 0.814 7.680 10.513 1.00 0.00 O ATOM 666 CB THR A 44 -0.270 6.442 13.164 1.00 0.00 C ATOM 667 OG1 THR A 44 0.486 5.445 12.503 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.274 5.743 14.055 1.00 0.00 C ATOM 0 H THR A 44 -1.262 5.805 10.826 1.00 0.00 H new ATOM 0 HA THR A 44 -1.565 8.073 12.699 1.00 0.00 H new ATOM 0 HB THR A 44 0.366 7.072 13.786 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.340 5.511 11.536 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.749 5.086 14.749 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.841 6.485 14.616 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.955 5.153 13.442 1.00 0.00 H new ATOM 676 N TYR A 45 0.292 9.466 11.774 1.00 0.00 N ATOM 677 CA TYR A 45 1.258 10.344 11.117 1.00 0.00 C ATOM 678 C TYR A 45 2.484 10.593 11.995 1.00 0.00 C ATOM 679 O TYR A 45 2.366 10.780 13.205 1.00 0.00 O ATOM 680 CB TYR A 45 0.585 11.674 10.769 1.00 0.00 C ATOM 681 CG TYR A 45 1.491 12.666 10.075 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.460 12.246 9.172 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.374 14.028 10.325 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.284 13.154 8.538 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.194 14.942 9.694 1.00 0.00 C ATOM 686 CZ TYR A 45 3.149 14.501 8.801 1.00 0.00 C ATOM 687 OH TYR A 45 3.968 15.409 8.168 1.00 0.00 O ATOM 0 H TYR A 45 -0.247 9.912 12.516 1.00 0.00 H new ATOM 0 HA TYR A 45 1.599 9.851 10.206 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.275 11.476 10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.204 12.126 11.685 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.570 11.192 8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.629 14.377 11.025 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.032 12.811 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.088 15.997 9.898 1.00 0.00 H new ATOM 0 HH TYR A 45 3.742 16.315 8.464 1.00 0.00 H new ATOM 697 N ASP A 46 3.663 10.604 11.371 1.00 0.00 N ATOM 698 CA ASP A 46 4.907 10.841 12.094 1.00 0.00 C ATOM 699 C ASP A 46 5.656 12.033 11.501 1.00 0.00 C ATOM 700 O ASP A 46 6.580 11.867 10.704 1.00 0.00 O ATOM 701 CB ASP A 46 5.792 9.593 12.052 1.00 0.00 C ATOM 702 CG ASP A 46 7.092 9.774 12.813 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.875 10.674 12.443 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.324 9.018 13.778 1.00 0.00 O ATOM 0 H ASP A 46 3.779 10.452 10.369 1.00 0.00 H new ATOM 0 HA ASP A 46 4.662 11.066 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.244 8.749 12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.014 9.344 11.014 1.00 0.00 H new ATOM 709 N ASP A 47 5.243 13.233 11.892 1.00 0.00 N ATOM 710 CA ASP A 47 5.861 14.463 11.400 1.00 0.00 C ATOM 711 C ASP A 47 7.384 14.411 11.521 1.00 0.00 C ATOM 712 O ASP A 47 8.102 14.928 10.665 1.00 0.00 O ATOM 713 CB ASP A 47 5.323 15.670 12.170 1.00 0.00 C ATOM 714 CG ASP A 47 3.819 15.816 12.041 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.096 14.881 12.443 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.365 16.865 11.537 1.00 0.00 O ATOM 0 H ASP A 47 4.479 13.383 12.551 1.00 0.00 H new ATOM 0 HA ASP A 47 5.606 14.562 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.587 15.572 13.223 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.806 16.576 11.803 1.00 0.00 H new ATOM 721 N ALA A 48 7.866 13.799 12.595 1.00 0.00 N ATOM 722 CA ALA A 48 9.302 13.693 12.840 1.00 0.00 C ATOM 723 C ALA A 48 10.057 13.164 11.622 1.00 0.00 C ATOM 724 O ALA A 48 11.214 13.522 11.402 1.00 0.00 O ATOM 725 CB ALA A 48 9.560 12.801 14.046 1.00 0.00 C ATOM 0 H ALA A 48 7.284 13.367 13.313 1.00 0.00 H new ATOM 0 HA ALA A 48 9.675 14.697 13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.633 12.728 14.221 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.077 13.229 14.925 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.155 11.807 13.857 1.00 0.00 H new ATOM 731 N THR A 49 9.408 12.309 10.838 1.00 0.00 N ATOM 732 CA THR A 49 10.044 11.739 9.653 1.00 0.00 C ATOM 733 C THR A 49 9.184 11.912 8.402 1.00 0.00 C ATOM 734 O THR A 49 9.450 11.294 7.371 1.00 0.00 O ATOM 735 CB THR A 49 10.333 10.253 9.874 1.00 0.00 C ATOM 736 OG1 THR A 49 9.137 9.542 10.135 1.00 0.00 O ATOM 737 CG2 THR A 49 11.281 9.993 11.026 1.00 0.00 C ATOM 0 H THR A 49 8.450 11.997 10.999 1.00 0.00 H new ATOM 0 HA THR A 49 10.978 12.279 9.495 1.00 0.00 H new ATOM 0 HB THR A 49 10.803 9.910 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.619 10.014 10.820 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.444 8.920 11.128 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.233 10.487 10.833 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.850 10.384 11.947 1.00 0.00 H new ATOM 745 N LYS A 50 8.152 12.749 8.487 1.00 0.00 N ATOM 746 CA LYS A 50 7.272 12.981 7.345 1.00 0.00 C ATOM 747 C LYS A 50 6.721 11.655 6.821 1.00 0.00 C ATOM 748 O LYS A 50 6.495 11.494 5.621 1.00 0.00 O ATOM 749 CB LYS A 50 8.041 13.689 6.227 1.00 0.00 C ATOM 750 CG LYS A 50 8.635 15.029 6.635 1.00 0.00 C ATOM 751 CD LYS A 50 7.666 16.179 6.397 1.00 0.00 C ATOM 752 CE LYS A 50 6.432 16.084 7.274 1.00 0.00 C ATOM 753 NZ LYS A 50 6.779 15.963 8.717 1.00 0.00 N ATOM 0 H LYS A 50 7.906 13.273 9.327 1.00 0.00 H new ATOM 0 HA LYS A 50 6.442 13.609 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.844 13.037 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.371 13.843 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.909 14.998 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.552 15.205 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.174 17.124 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.365 16.186 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.812 16.968 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.838 15.222 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.935 16.155 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.121 15.000 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.524 16.649 8.954 1.00 0.00 H new ATOM 767 N THR A 51 6.533 10.701 7.729 1.00 0.00 N ATOM 768 CA THR A 51 6.038 9.379 7.364 1.00 0.00 C ATOM 769 C THR A 51 4.630 9.148 7.904 1.00 0.00 C ATOM 770 O THR A 51 4.238 9.743 8.907 1.00 0.00 O ATOM 771 CB THR A 51 6.992 8.310 7.905 1.00 0.00 C ATOM 772 OG1 THR A 51 8.262 8.414 7.286 1.00 0.00 O ATOM 773 CG2 THR A 51 6.501 6.893 7.706 1.00 0.00 C ATOM 0 H THR A 51 6.717 10.820 8.725 1.00 0.00 H new ATOM 0 HA THR A 51 5.993 9.314 6.277 1.00 0.00 H new ATOM 0 HB THR A 51 7.051 8.502 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.601 9.328 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.231 6.194 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.548 6.763 8.218 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.370 6.699 6.641 1.00 0.00 H new ATOM 781 N PHE A 52 3.873 8.274 7.239 1.00 0.00 N ATOM 782 CA PHE A 52 2.515 7.977 7.679 1.00 0.00 C ATOM 783 C PHE A 52 2.267 6.476 7.804 1.00 0.00 C ATOM 784 O PHE A 52 1.913 5.805 6.835 1.00 0.00 O ATOM 785 CB PHE A 52 1.493 8.559 6.711 1.00 0.00 C ATOM 786 CG PHE A 52 1.667 10.024 6.435 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.787 10.486 5.763 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.706 10.936 6.837 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.945 11.833 5.497 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.858 12.284 6.574 1.00 0.00 C ATOM 791 CZ PHE A 52 1.979 12.733 5.903 1.00 0.00 C ATOM 0 H PHE A 52 4.174 7.768 6.406 1.00 0.00 H new ATOM 0 HA PHE A 52 2.402 8.434 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.552 8.014 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.494 8.393 7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.545 9.786 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.172 10.590 7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.822 12.181 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.101 12.986 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.100 13.786 5.696 1.00 0.00 H new ATOM 801 N THR A 53 2.436 5.973 9.013 1.00 0.00 N ATOM 802 CA THR A 53 2.212 4.557 9.287 1.00 0.00 C ATOM 803 C THR A 53 0.726 4.231 9.275 1.00 0.00 C ATOM 804 O THR A 53 -0.072 4.879 9.953 1.00 0.00 O ATOM 805 CB THR A 53 2.845 4.126 10.610 1.00 0.00 C ATOM 806 OG1 THR A 53 2.696 5.128 11.599 1.00 0.00 O ATOM 807 CG2 THR A 53 4.311 3.776 10.492 1.00 0.00 C ATOM 0 H THR A 53 2.727 6.520 9.823 1.00 0.00 H new ATOM 0 HA THR A 53 2.698 3.994 8.491 1.00 0.00 H new ATOM 0 HB THR A 53 2.309 3.223 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.852 4.992 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.694 3.479 11.468 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.433 2.952 9.789 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.865 4.644 10.133 1.00 0.00 H new ATOM 815 N VAL A 54 0.366 3.218 8.496 1.00 0.00 N ATOM 816 CA VAL A 54 -1.021 2.792 8.381 1.00 0.00 C ATOM 817 C VAL A 54 -1.191 1.361 8.875 1.00 0.00 C ATOM 818 O VAL A 54 -0.597 0.428 8.331 1.00 0.00 O ATOM 819 CB VAL A 54 -1.518 2.892 6.922 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.979 2.473 6.821 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.327 4.303 6.391 1.00 0.00 C ATOM 0 H VAL A 54 1.020 2.675 7.932 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.617 3.460 9.002 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.926 2.211 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.309 2.551 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.086 1.442 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.589 3.125 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.682 4.356 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.892 5.003 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.269 4.564 6.423 1.00 0.00 H new ATOM 831 N THR A 55 -2.013 1.192 9.904 1.00 0.00 N ATOM 832 CA THR A 55 -2.269 -0.129 10.465 1.00 0.00 C ATOM 833 C THR A 55 -3.623 -0.642 9.996 1.00 0.00 C ATOM 834 O THR A 55 -4.660 -0.069 10.331 1.00 0.00 O ATOM 835 CB THR A 55 -2.218 -0.086 11.992 1.00 0.00 C ATOM 836 OG1 THR A 55 -1.011 0.508 12.435 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.307 -1.458 12.624 1.00 0.00 C ATOM 0 H THR A 55 -2.513 1.952 10.366 1.00 0.00 H new ATOM 0 HA THR A 55 -1.493 -0.810 10.116 1.00 0.00 H new ATOM 0 HB THR A 55 -3.084 0.501 12.298 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.997 0.529 13.415 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.266 -1.362 13.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.246 -1.931 12.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.473 -2.071 12.282 1.00 0.00 H new ATOM 845 N GLU A 56 -3.614 -1.707 9.197 1.00 0.00 N ATOM 846 CA GLU A 56 -4.856 -2.263 8.666 1.00 0.00 C ATOM 847 C GLU A 56 -5.887 -2.469 9.773 1.00 0.00 C ATOM 848 O GLU A 56 -5.485 -2.523 10.954 1.00 0.00 O ATOM 849 CB GLU A 56 -4.582 -3.580 7.930 1.00 0.00 C ATOM 850 CG GLU A 56 -4.209 -4.740 8.841 1.00 0.00 C ATOM 851 CD GLU A 56 -5.379 -5.236 9.671 1.00 0.00 C ATOM 852 OE1 GLU A 56 -6.376 -5.695 9.078 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.297 -5.160 10.916 1.00 0.00 O ATOM 854 OXT GLU A 56 -7.088 -2.574 9.449 1.00 0.00 O ATOM 0 H GLU A 56 -2.769 -2.198 8.905 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.269 -1.547 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.468 -3.854 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.776 -3.422 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.824 -5.561 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.403 -4.429 9.506 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 5.924 18.660 -1.286 1.00 0.00 N ATOM 863 CA MET B 1 7.025 17.887 -0.653 1.00 0.00 C ATOM 864 C MET B 1 6.829 16.389 -0.882 1.00 0.00 C ATOM 865 O MET B 1 5.730 15.940 -1.205 1.00 0.00 O ATOM 866 CB MET B 1 7.027 18.185 0.851 1.00 0.00 C ATOM 867 CG MET B 1 8.363 17.921 1.529 1.00 0.00 C ATOM 868 SD MET B 1 8.193 17.464 3.265 1.00 0.00 S ATOM 869 CE MET B 1 7.192 18.808 3.894 1.00 0.00 C ATOM 0 H1 MET B 1 6.109 19.678 -1.179 1.00 0.00 H new ATOM 0 H2 MET B 1 5.869 18.422 -2.297 1.00 0.00 H new ATOM 0 H3 MET B 1 5.023 18.421 -0.825 1.00 0.00 H new ATOM 0 HA MET B 1 7.976 18.179 -1.098 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.752 19.228 1.005 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.260 17.579 1.333 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.882 17.123 0.998 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.985 18.813 1.453 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.605 18.458 4.743 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.839 19.626 4.212 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.521 19.160 3.110 1.00 0.00 H new ATOM 881 N GLN B 2 7.891 15.618 -0.682 1.00 0.00 N ATOM 882 CA GLN B 2 7.825 14.172 -0.834 1.00 0.00 C ATOM 883 C GLN B 2 7.619 13.528 0.531 1.00 0.00 C ATOM 884 O GLN B 2 8.263 13.913 1.508 1.00 0.00 O ATOM 885 CB GLN B 2 9.105 13.637 -1.482 1.00 0.00 C ATOM 886 CG GLN B 2 9.104 12.128 -1.675 1.00 0.00 C ATOM 887 CD GLN B 2 10.373 11.593 -2.328 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.318 12.476 -2.647 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 10.504 10.388 -2.542 1.00 0.00 N flip ATOM 0 H GLN B 2 8.809 15.972 -0.414 1.00 0.00 H new ATOM 0 HA GLN B 2 6.986 13.923 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.241 14.119 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.959 13.916 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.974 11.647 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.246 11.849 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.759 9.740 -2.284 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.357 10.037 -2.977 1.00 0.00 H new ATOM 898 N TYR B 3 6.718 12.558 0.605 1.00 0.00 N ATOM 899 CA TYR B 3 6.436 11.887 1.865 1.00 0.00 C ATOM 900 C TYR B 3 6.550 10.377 1.722 1.00 0.00 C ATOM 901 O TYR B 3 6.218 9.816 0.678 1.00 0.00 O ATOM 902 CB TYR B 3 5.040 12.260 2.364 1.00 0.00 C ATOM 903 CG TYR B 3 4.865 13.741 2.611 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.591 14.611 1.564 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.973 14.269 3.892 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.432 15.966 1.785 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.815 15.622 4.121 1.00 0.00 C ATOM 908 CZ TYR B 3 4.545 16.466 3.065 1.00 0.00 C ATOM 909 OH TYR B 3 4.387 17.814 3.289 1.00 0.00 O ATOM 0 H TYR B 3 6.173 12.220 -0.188 1.00 0.00 H new ATOM 0 HA TYR B 3 7.177 12.218 2.593 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.301 11.932 1.633 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.836 11.719 3.288 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.501 14.222 0.560 1.00 0.00 H new ATOM 0 HD2 TYR B 3 5.184 13.611 4.722 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.220 16.630 0.960 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.903 16.017 5.122 1.00 0.00 H new ATOM 0 HH TYR B 3 4.496 18.002 4.245 1.00 0.00 H new ATOM 919 N LYS B 4 7.016 9.726 2.780 1.00 0.00 N ATOM 920 CA LYS B 4 7.167 8.278 2.781 1.00 0.00 C ATOM 921 C LYS B 4 6.133 7.640 3.697 1.00 0.00 C ATOM 922 O LYS B 4 6.226 7.741 4.918 1.00 0.00 O ATOM 923 CB LYS B 4 8.576 7.886 3.232 1.00 0.00 C ATOM 924 CG LYS B 4 8.802 6.382 3.283 1.00 0.00 C ATOM 925 CD LYS B 4 10.213 6.043 3.734 1.00 0.00 C ATOM 926 CE LYS B 4 11.254 6.569 2.759 1.00 0.00 C ATOM 927 NZ LYS B 4 11.087 5.986 1.400 1.00 0.00 N ATOM 0 H LYS B 4 7.296 10.179 3.650 1.00 0.00 H new ATOM 0 HA LYS B 4 7.011 7.916 1.765 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.303 8.332 2.553 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.763 8.307 4.220 1.00 0.00 H new ATOM 0 HG2 LYS B 4 8.083 5.928 3.965 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.621 5.953 2.297 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.392 6.468 4.722 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.316 4.962 3.828 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.180 7.655 2.700 1.00 0.00 H new ATOM 0 HE3 LYS B 4 12.251 6.338 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.004 5.635 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.409 5.199 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.731 6.716 0.750 1.00 0.00 H new ATOM 941 N VAL B 5 5.146 6.987 3.103 1.00 0.00 N ATOM 942 CA VAL B 5 4.095 6.343 3.874 1.00 0.00 C ATOM 943 C VAL B 5 4.424 4.874 4.116 1.00 0.00 C ATOM 944 O VAL B 5 4.822 4.154 3.203 1.00 0.00 O ATOM 945 CB VAL B 5 2.729 6.460 3.168 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.627 5.813 3.998 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.404 7.918 2.883 1.00 0.00 C ATOM 0 H VAL B 5 5.051 6.889 2.092 1.00 0.00 H new ATOM 0 HA VAL B 5 4.034 6.857 4.833 1.00 0.00 H new ATOM 0 HB VAL B 5 2.788 5.927 2.219 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.675 5.910 3.477 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.854 4.757 4.145 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.563 6.309 4.967 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.437 7.984 2.385 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.368 8.473 3.821 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.174 8.343 2.239 1.00 0.00 H new ATOM 957 N ILE B 6 4.246 4.441 5.357 1.00 0.00 N ATOM 958 CA ILE B 6 4.514 3.058 5.726 1.00 0.00 C ATOM 959 C ILE B 6 3.205 2.309 5.933 1.00 0.00 C ATOM 960 O ILE B 6 2.315 2.776 6.644 1.00 0.00 O ATOM 961 CB ILE B 6 5.379 2.969 7.000 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.669 3.766 6.816 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.701 1.517 7.325 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.540 3.803 8.052 1.00 0.00 C ATOM 0 H ILE B 6 3.917 5.027 6.124 1.00 0.00 H new ATOM 0 HA ILE B 6 5.071 2.597 4.910 1.00 0.00 H new ATOM 0 HB ILE B 6 4.817 3.394 7.832 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.239 3.334 5.993 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.418 4.787 6.528 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.312 1.473 8.227 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.774 0.966 7.487 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.248 1.071 6.494 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.438 4.386 7.847 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.988 4.262 8.872 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.822 2.787 8.329 1.00 0.00 H new ATOM 976 N LEU B 7 3.086 1.159 5.287 1.00 0.00 N ATOM 977 CA LEU B 7 1.873 0.358 5.374 1.00 0.00 C ATOM 978 C LEU B 7 2.095 -0.874 6.253 1.00 0.00 C ATOM 979 O LEU B 7 2.558 -1.910 5.778 1.00 0.00 O ATOM 980 CB LEU B 7 1.442 -0.057 3.965 1.00 0.00 C ATOM 981 CG LEU B 7 1.605 1.030 2.905 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.091 0.543 1.560 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.891 2.302 3.341 1.00 0.00 C ATOM 0 H LEU B 7 3.815 0.759 4.696 1.00 0.00 H new ATOM 0 HA LEU B 7 1.084 0.954 5.833 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.022 -0.930 3.664 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.396 -0.364 3.994 1.00 0.00 H new ATOM 0 HG LEU B 7 2.665 1.258 2.794 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.215 1.330 0.816 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.654 -0.338 1.253 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.035 0.287 1.645 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.015 3.069 2.577 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.170 2.095 3.478 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.316 2.654 4.281 1.00 0.00 H new ATOM 995 N ASN B 8 1.769 -0.746 7.539 1.00 0.00 N ATOM 996 CA ASN B 8 1.942 -1.845 8.487 1.00 0.00 C ATOM 997 C ASN B 8 0.631 -2.590 8.722 1.00 0.00 C ATOM 998 O ASN B 8 -0.259 -2.094 9.410 1.00 0.00 O ATOM 999 CB ASN B 8 2.473 -1.316 9.820 1.00 0.00 C ATOM 1000 CG ASN B 8 3.843 -0.686 9.692 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.015 0.304 8.986 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.823 -1.258 10.379 1.00 0.00 N ATOM 0 H ASN B 8 1.385 0.106 7.947 1.00 0.00 H new ATOM 0 HA ASN B 8 2.662 -2.541 8.056 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.775 -0.580 10.219 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.519 -2.134 10.539 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.768 -0.876 10.334 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.632 -2.080 10.952 1.00 0.00 H new ATOM 1009 N GLY B 9 0.512 -3.782 8.152 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.699 -4.563 8.326 1.00 0.00 C ATOM 1011 C GLY B 9 -0.479 -5.784 9.193 1.00 0.00 C ATOM 1012 O GLY B 9 0.569 -5.931 9.819 1.00 0.00 O ATOM 0 H GLY B 9 1.229 -4.221 7.574 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.471 -3.937 8.774 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.070 -4.876 7.350 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.476 -6.658 9.234 1.00 0.00 N ATOM 1017 CA LYS B 10 -1.393 -7.868 10.035 1.00 0.00 C ATOM 1018 C LYS B 10 -0.369 -8.844 9.465 1.00 0.00 C ATOM 1019 O LYS B 10 0.517 -9.317 10.178 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.760 -8.551 10.114 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.773 -7.791 10.950 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.408 -7.813 12.425 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.458 -7.111 13.269 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.136 -7.168 14.722 1.00 0.00 N ATOM 0 H LYS B 10 -2.351 -6.550 8.721 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.073 -7.577 11.036 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -3.154 -8.674 9.105 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.634 -9.550 10.531 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.831 -6.759 10.604 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -4.762 -8.229 10.812 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.302 -8.845 12.759 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.442 -7.330 12.569 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.538 -6.070 12.956 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -5.430 -7.572 13.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.878 -6.677 15.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.085 -8.161 15.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.220 -6.706 14.893 1.00 0.00 H new ATOM 1038 N THR B 11 -0.508 -9.159 8.180 1.00 0.00 N ATOM 1039 CA THR B 11 0.381 -10.094 7.512 1.00 0.00 C ATOM 1040 C THR B 11 1.074 -9.439 6.329 1.00 0.00 C ATOM 1041 O THR B 11 1.592 -10.122 5.446 1.00 0.00 O ATOM 1042 CB THR B 11 -0.429 -11.285 7.024 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.593 -10.841 6.355 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.866 -12.215 8.129 1.00 0.00 C ATOM 0 H THR B 11 -1.237 -8.774 7.579 1.00 0.00 H new ATOM 0 HA THR B 11 1.144 -10.417 8.221 1.00 0.00 H new ATOM 0 HB THR B 11 0.236 -11.836 6.359 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.360 -11.379 6.642 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.438 -13.040 7.705 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.012 -12.608 8.642 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.487 -11.669 8.839 1.00 0.00 H new ATOM 1052 N LEU B 12 1.068 -8.116 6.304 1.00 0.00 N ATOM 1053 CA LEU B 12 1.683 -7.382 5.215 1.00 0.00 C ATOM 1054 C LEU B 12 2.397 -6.139 5.733 1.00 0.00 C ATOM 1055 O LEU B 12 1.902 -5.450 6.625 1.00 0.00 O ATOM 1056 CB LEU B 12 0.617 -7.015 4.182 1.00 0.00 C ATOM 1057 CG LEU B 12 1.108 -6.189 3.002 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.315 -6.855 2.375 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.002 -6.002 1.977 1.00 0.00 C ATOM 0 H LEU B 12 0.645 -7.531 7.025 1.00 0.00 H new ATOM 0 HA LEU B 12 2.433 -8.013 4.738 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.173 -7.935 3.800 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.177 -6.463 4.685 1.00 0.00 H new ATOM 0 HG LEU B 12 1.401 -5.202 3.360 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.662 -6.259 1.531 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.112 -6.935 3.115 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.041 -7.851 2.028 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.370 -5.409 1.142 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.329 -6.976 1.613 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.843 -5.487 2.441 1.00 0.00 H new ATOM 1071 N LYS B 13 3.563 -5.861 5.161 1.00 0.00 N ATOM 1072 CA LYS B 13 4.353 -4.700 5.554 1.00 0.00 C ATOM 1073 C LYS B 13 5.072 -4.117 4.345 1.00 0.00 C ATOM 1074 O LYS B 13 5.452 -4.849 3.433 1.00 0.00 O ATOM 1075 CB LYS B 13 5.375 -5.079 6.628 1.00 0.00 C ATOM 1076 CG LYS B 13 4.776 -5.820 7.812 1.00 0.00 C ATOM 1077 CD LYS B 13 4.699 -7.318 7.558 1.00 0.00 C ATOM 1078 CE LYS B 13 4.060 -8.047 8.728 1.00 0.00 C ATOM 1079 NZ LYS B 13 3.976 -9.514 8.490 1.00 0.00 N ATOM 0 H LYS B 13 3.983 -6.425 4.422 1.00 0.00 H new ATOM 0 HA LYS B 13 3.675 -3.951 5.964 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.149 -5.700 6.177 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.863 -4.173 6.988 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.378 -5.632 8.701 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.777 -5.434 8.016 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.123 -7.506 6.652 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.701 -7.711 7.386 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.638 -7.859 9.632 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.060 -7.650 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 3.504 -9.970 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.431 -9.694 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.934 -9.904 8.384 1.00 0.00 H new ATOM 1093 N GLY B 14 5.261 -2.802 4.334 1.00 0.00 N ATOM 1094 CA GLY B 14 5.938 -2.176 3.217 1.00 0.00 C ATOM 1095 C GLY B 14 6.174 -0.693 3.410 1.00 0.00 C ATOM 1096 O GLY B 14 5.896 -0.141 4.473 1.00 0.00 O ATOM 0 H GLY B 14 4.960 -2.165 5.072 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.896 -2.671 3.059 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.348 -2.328 2.313 1.00 0.00 H new ATOM 1100 N GLU B 15 6.685 -0.053 2.364 1.00 0.00 N ATOM 1101 CA GLU B 15 6.962 1.376 2.392 1.00 0.00 C ATOM 1102 C GLU B 15 6.621 2.009 1.048 1.00 0.00 C ATOM 1103 O GLU B 15 6.978 1.485 -0.006 1.00 0.00 O ATOM 1104 CB GLU B 15 8.429 1.633 2.740 1.00 0.00 C ATOM 1105 CG GLU B 15 8.831 1.101 4.107 1.00 0.00 C ATOM 1106 CD GLU B 15 10.285 1.380 4.440 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.982 1.988 3.601 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.726 0.988 5.542 1.00 0.00 O ATOM 0 H GLU B 15 6.917 -0.507 1.480 1.00 0.00 H new ATOM 0 HA GLU B 15 6.339 1.831 3.162 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.060 1.173 1.980 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.620 2.706 2.706 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.195 1.552 4.869 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.655 0.026 4.140 1.00 0.00 H new ATOM 1115 N THR B 16 5.925 3.135 1.099 1.00 0.00 N ATOM 1116 CA THR B 16 5.521 3.844 -0.106 1.00 0.00 C ATOM 1117 C THR B 16 5.798 5.341 0.018 1.00 0.00 C ATOM 1118 O THR B 16 6.115 5.831 1.100 1.00 0.00 O ATOM 1119 CB THR B 16 4.041 3.581 -0.395 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.519 4.576 -1.239 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.176 3.528 0.846 1.00 0.00 C ATOM 0 H THR B 16 5.627 3.579 1.967 1.00 0.00 H new ATOM 0 HA THR B 16 6.111 3.471 -0.943 1.00 0.00 H new ATOM 0 HB THR B 16 4.013 2.600 -0.869 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.703 4.245 -1.669 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.141 3.338 0.560 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.525 2.728 1.499 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.238 4.480 1.374 1.00 0.00 H new ATOM 1129 N THR B 17 5.704 6.064 -1.100 1.00 0.00 N ATOM 1130 CA THR B 17 5.974 7.502 -1.095 1.00 0.00 C ATOM 1131 C THR B 17 5.057 8.284 -2.039 1.00 0.00 C ATOM 1132 O THR B 17 5.064 8.069 -3.251 1.00 0.00 O ATOM 1133 CB THR B 17 7.431 7.756 -1.479 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.734 7.153 -2.725 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.420 7.236 -0.459 1.00 0.00 C ATOM 0 H THR B 17 5.446 5.682 -2.010 1.00 0.00 H new ATOM 0 HA THR B 17 5.777 7.857 -0.083 1.00 0.00 H new ATOM 0 HB THR B 17 7.531 8.840 -1.533 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.924 7.114 -3.275 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.435 7.450 -0.794 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.244 7.724 0.500 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.294 6.159 -0.346 1.00 0.00 H new ATOM 1143 N THR B 18 4.291 9.210 -1.466 1.00 0.00 N ATOM 1144 CA THR B 18 3.384 10.061 -2.235 1.00 0.00 C ATOM 1145 C THR B 18 3.923 11.491 -2.271 1.00 0.00 C ATOM 1146 O THR B 18 4.507 11.965 -1.296 1.00 0.00 O ATOM 1147 CB THR B 18 1.985 10.046 -1.612 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.062 10.707 -2.455 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.923 10.711 -0.252 1.00 0.00 C ATOM 0 H THR B 18 4.281 9.391 -0.462 1.00 0.00 H new ATOM 0 HA THR B 18 3.318 9.676 -3.253 1.00 0.00 H new ATOM 0 HB THR B 18 1.732 8.993 -1.491 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.303 10.548 -3.392 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.903 10.664 0.130 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.592 10.195 0.436 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.229 11.753 -0.342 1.00 0.00 H new ATOM 1157 N GLU B 19 3.725 12.176 -3.390 1.00 0.00 N ATOM 1158 CA GLU B 19 4.192 13.553 -3.540 1.00 0.00 C ATOM 1159 C GLU B 19 3.021 14.527 -3.440 1.00 0.00 C ATOM 1160 O GLU B 19 2.115 14.499 -4.273 1.00 0.00 O ATOM 1161 CB GLU B 19 4.903 13.722 -4.886 1.00 0.00 C ATOM 1162 CG GLU B 19 5.374 15.141 -5.163 1.00 0.00 C ATOM 1163 CD GLU B 19 6.378 15.635 -4.142 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.429 14.980 -3.976 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.119 16.683 -3.513 1.00 0.00 O ATOM 0 H GLU B 19 3.244 11.803 -4.209 1.00 0.00 H new ATOM 0 HA GLU B 19 4.896 13.772 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.762 13.052 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.228 13.412 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.821 15.183 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.513 15.810 -5.173 1.00 0.00 H new ATOM 1172 N ALA B 20 3.032 15.381 -2.418 1.00 0.00 N ATOM 1173 CA ALA B 20 1.952 16.344 -2.231 1.00 0.00 C ATOM 1174 C ALA B 20 2.447 17.642 -1.592 1.00 0.00 C ATOM 1175 O ALA B 20 3.436 17.657 -0.859 1.00 0.00 O ATOM 1176 CB ALA B 20 0.846 15.731 -1.387 1.00 0.00 C ATOM 0 H ALA B 20 3.769 15.425 -1.714 1.00 0.00 H new ATOM 0 HA ALA B 20 1.559 16.594 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.045 16.458 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.453 14.846 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.246 15.448 -0.413 1.00 0.00 H new ATOM 1182 N VAL B 21 1.752 18.732 -1.905 1.00 0.00 N ATOM 1183 CA VAL B 21 2.105 20.058 -1.401 1.00 0.00 C ATOM 1184 C VAL B 21 2.291 20.065 0.117 1.00 0.00 C ATOM 1185 O VAL B 21 3.029 20.891 0.655 1.00 0.00 O ATOM 1186 CB VAL B 21 1.025 21.093 -1.770 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.468 22.496 -1.386 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.694 21.010 -3.253 1.00 0.00 C ATOM 0 H VAL B 21 0.932 18.723 -2.512 1.00 0.00 H new ATOM 0 HA VAL B 21 3.051 20.324 -1.872 1.00 0.00 H new ATOM 0 HB VAL B 21 0.120 20.864 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.690 23.210 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.644 22.541 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.388 22.745 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.071 21.748 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.592 21.211 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.323 20.012 -3.488 1.00 0.00 H new ATOM 1198 N ASP B 22 1.630 19.138 0.804 1.00 0.00 N ATOM 1199 CA ASP B 22 1.750 19.054 2.258 1.00 0.00 C ATOM 1200 C ASP B 22 1.395 17.660 2.764 1.00 0.00 C ATOM 1201 O ASP B 22 0.980 16.795 1.992 1.00 0.00 O ATOM 1202 CB ASP B 22 0.869 20.108 2.933 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.607 19.881 2.693 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.134 18.860 3.177 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.238 20.725 2.021 1.00 0.00 O ATOM 0 H ASP B 22 1.013 18.442 0.385 1.00 0.00 H new ATOM 0 HA ASP B 22 2.790 19.250 2.517 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.063 20.104 4.006 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.145 21.096 2.563 1.00 0.00 H new ATOM 1210 N ALA B 23 1.569 17.445 4.063 1.00 0.00 N ATOM 1211 CA ALA B 23 1.275 16.153 4.668 1.00 0.00 C ATOM 1212 C ALA B 23 -0.185 15.771 4.480 1.00 0.00 C ATOM 1213 O ALA B 23 -0.500 14.624 4.164 1.00 0.00 O ATOM 1214 CB ALA B 23 1.635 16.167 6.145 1.00 0.00 C ATOM 0 H ALA B 23 1.912 18.149 4.717 1.00 0.00 H new ATOM 0 HA ALA B 23 1.883 15.401 4.164 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.410 15.195 6.584 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.698 16.379 6.258 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.055 16.937 6.653 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.074 16.736 4.665 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.499 16.489 4.501 1.00 0.00 C ATOM 1222 C ALA B 24 -2.795 16.091 3.065 1.00 0.00 C ATOM 1223 O ALA B 24 -3.366 15.031 2.810 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.306 17.713 4.902 1.00 0.00 C ATOM 0 H ALA B 24 -0.836 17.692 4.927 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.791 15.668 5.156 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.368 17.507 4.772 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.108 17.953 5.947 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.021 18.558 4.275 1.00 0.00 H new ATOM 1230 N THR B 25 -2.375 16.931 2.122 1.00 0.00 N ATOM 1231 CA THR B 25 -2.568 16.643 0.715 1.00 0.00 C ATOM 1232 C THR B 25 -2.053 15.247 0.412 1.00 0.00 C ATOM 1233 O THR B 25 -2.733 14.449 -0.233 1.00 0.00 O ATOM 1234 CB THR B 25 -1.838 17.680 -0.139 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.466 17.735 0.203 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.405 19.076 -0.006 1.00 0.00 C ATOM 0 H THR B 25 -1.900 17.813 2.313 1.00 0.00 H new ATOM 0 HA THR B 25 -3.631 16.690 0.477 1.00 0.00 H new ATOM 0 HB THR B 25 -1.974 17.351 -1.169 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.347 17.431 1.127 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.840 19.760 -0.639 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.450 19.075 -0.316 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.334 19.400 1.032 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.860 14.941 0.918 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.278 13.623 0.734 1.00 0.00 C ATOM 1246 C ALA B 26 -1.208 12.580 1.335 1.00 0.00 C ATOM 1247 O ALA B 26 -1.599 11.620 0.671 1.00 0.00 O ATOM 1248 CB ALA B 26 1.103 13.550 1.369 1.00 0.00 C ATOM 0 H ALA B 26 -0.283 15.588 1.456 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.159 13.426 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.520 12.554 1.219 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.756 14.290 0.906 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.024 13.753 2.437 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.578 12.793 2.598 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.484 11.895 3.300 1.00 0.00 C ATOM 1256 C GLU B 27 -3.741 11.657 2.475 1.00 0.00 C ATOM 1257 O GLU B 27 -4.168 10.518 2.289 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.856 12.496 4.657 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.840 11.661 5.460 1.00 0.00 C ATOM 1260 CD GLU B 27 -3.292 10.296 5.825 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -2.142 9.993 5.443 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.016 9.529 6.495 1.00 0.00 O ATOM 0 H GLU B 27 -1.260 13.586 3.155 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.984 10.939 3.454 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.947 12.630 5.244 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.282 13.487 4.498 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.105 12.197 6.372 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -4.758 11.537 4.885 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.322 12.744 1.973 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.525 12.663 1.157 1.00 0.00 C ATOM 1271 C LYS B 28 -5.243 11.914 -0.135 1.00 0.00 C ATOM 1272 O LYS B 28 -6.003 11.031 -0.534 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.055 14.064 0.845 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.440 14.853 2.086 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.420 14.076 2.948 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.801 14.852 4.198 1.00 0.00 C ATOM 1277 NZ LYS B 28 -6.615 15.161 5.043 1.00 0.00 N ATOM 0 H LYS B 28 -3.976 13.692 2.119 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.283 12.118 1.719 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.295 14.617 0.293 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.924 13.979 0.193 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.546 15.084 2.665 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.884 15.804 1.792 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.317 13.853 2.370 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.978 13.121 3.232 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.295 15.781 3.912 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.520 14.274 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.930 15.457 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.018 14.314 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.067 15.929 4.605 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.138 12.263 -0.783 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.750 11.613 -2.025 1.00 0.00 C ATOM 1293 C VAL B 29 -3.589 10.117 -1.808 1.00 0.00 C ATOM 1294 O VAL B 29 -4.018 9.309 -2.633 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.440 12.199 -2.588 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.041 11.498 -3.877 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.578 13.698 -2.814 1.00 0.00 C ATOM 0 H VAL B 29 -3.497 12.991 -0.468 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.542 11.794 -2.751 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.651 12.032 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.114 11.930 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.894 10.436 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.829 11.626 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.643 14.094 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.383 13.886 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.807 14.189 -1.868 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.990 9.750 -0.682 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.807 8.347 -0.354 1.00 0.00 C ATOM 1309 C VAL B 30 -4.173 7.679 -0.237 1.00 0.00 C ATOM 1310 O VAL B 30 -4.385 6.588 -0.758 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.031 8.163 0.963 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.682 6.696 1.171 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.776 9.026 0.973 1.00 0.00 C ATOM 0 H VAL B 30 -2.626 10.401 0.013 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.223 7.886 -1.151 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.667 8.484 1.788 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.134 6.581 2.106 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.598 6.107 1.213 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.064 6.348 0.343 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.242 8.881 1.912 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.131 8.740 0.142 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.055 10.075 0.872 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.110 8.348 0.444 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.460 7.811 0.604 1.00 0.00 C ATOM 1325 C LYS B 31 -6.980 7.307 -0.734 1.00 0.00 C ATOM 1326 O LYS B 31 -7.451 6.177 -0.851 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.421 8.872 1.153 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.988 9.491 2.473 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.378 8.459 3.406 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.212 9.005 4.813 1.00 0.00 C ATOM 1331 NZ LYS B 31 -7.510 9.434 5.401 1.00 0.00 N ATOM 0 H LYS B 31 -4.958 9.253 0.888 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.409 6.988 1.317 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.529 9.664 0.412 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.405 8.421 1.283 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.263 10.283 2.283 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.848 9.955 2.956 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.011 7.572 3.432 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.408 8.147 3.020 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.761 8.242 5.447 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.525 9.851 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.440 9.427 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.738 10.395 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.260 8.780 5.100 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.867 8.159 -1.744 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.302 7.807 -3.088 1.00 0.00 C ATOM 1347 C GLN B 32 -6.543 6.572 -3.568 1.00 0.00 C ATOM 1348 O GLN B 32 -7.093 5.722 -4.268 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.108 9.003 -4.036 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.203 8.658 -5.518 1.00 0.00 C ATOM 1351 CD GLN B 32 -5.947 8.008 -6.095 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -4.862 7.948 -5.321 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -5.950 7.573 -7.247 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.478 9.098 -1.658 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.365 7.564 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.857 9.760 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.133 9.450 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -8.048 7.986 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.416 9.569 -6.078 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -6.796 7.634 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -5.106 7.152 -7.635 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.278 6.483 -3.173 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.425 5.357 -3.540 1.00 0.00 C ATOM 1364 C PHE B 33 -5.079 4.037 -3.126 1.00 0.00 C ATOM 1365 O PHE B 33 -5.409 3.202 -3.965 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.059 5.520 -2.862 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.009 4.569 -3.349 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.370 4.798 -4.554 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.656 3.452 -2.604 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.399 3.932 -5.009 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.684 2.583 -3.061 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.057 2.826 -4.266 1.00 0.00 C ATOM 0 H PHE B 33 -4.817 7.184 -2.593 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.289 5.340 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.709 6.540 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.182 5.387 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.634 5.663 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.145 3.261 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE B 33 0.094 4.122 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.416 1.715 -2.476 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.702 2.148 -4.626 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.274 3.877 -1.822 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.901 2.673 -1.275 1.00 0.00 C ATOM 1384 C PHE B 34 -7.377 2.628 -1.630 1.00 0.00 C ATOM 1385 O PHE B 34 -7.914 1.571 -1.959 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.681 2.615 0.231 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.225 2.566 0.563 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.397 1.663 -0.083 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.675 3.435 1.485 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.048 1.627 0.186 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.324 3.399 1.765 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.511 2.494 1.110 1.00 0.00 C ATOM 0 H PHE B 34 -5.007 4.567 -1.120 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.436 1.793 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.135 3.487 0.701 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.180 1.737 0.640 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.815 0.979 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.308 4.149 1.991 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.412 0.920 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.904 4.076 2.494 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.453 2.467 1.323 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.023 3.783 -1.590 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.432 3.881 -1.939 1.00 0.00 C ATOM 1404 C ASN B 35 -9.683 3.207 -3.284 1.00 0.00 C ATOM 1405 O ASN B 35 -10.702 2.549 -3.493 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.835 5.351 -2.022 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.299 5.538 -2.348 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.814 4.971 -3.312 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.968 6.357 -1.553 1.00 0.00 N ATOM 0 H ASN B 35 -7.593 4.667 -1.319 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.026 3.382 -1.173 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.614 5.838 -1.072 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.232 5.846 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.956 6.542 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.496 6.803 -0.766 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.732 3.397 -4.188 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.809 2.830 -5.531 1.00 0.00 C ATOM 1418 C ASP B 36 -8.085 1.486 -5.643 1.00 0.00 C ATOM 1419 O ASP B 36 -8.397 0.688 -6.527 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.246 3.815 -6.555 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.053 5.099 -6.628 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.169 5.786 -5.591 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.566 5.415 -7.721 1.00 0.00 O ATOM 0 H ASP B 36 -7.889 3.945 -4.015 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.863 2.647 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.214 4.052 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.229 3.343 -7.538 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.130 1.219 -4.750 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.407 -0.054 -4.794 1.00 0.00 C ATOM 1430 C ASN B 37 -7.222 -1.141 -4.107 1.00 0.00 C ATOM 1431 O ASN B 37 -7.380 -2.238 -4.640 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.036 0.056 -4.118 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.090 0.993 -4.843 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.339 1.782 -4.082 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.009 0.982 -6.071 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.843 1.851 -4.003 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.254 -0.312 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.169 0.404 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.585 -0.935 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.606 0.360 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.345 1.595 -6.544 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.733 -0.805 -2.922 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.543 -1.713 -2.121 1.00 0.00 C ATOM 1444 C GLY B 38 -8.924 -3.019 -2.798 1.00 0.00 C ATOM 1445 O GLY B 38 -8.076 -3.879 -3.041 1.00 0.00 O ATOM 0 H GLY B 38 -7.594 0.109 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.000 -1.944 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.457 -1.195 -1.829 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.221 -3.193 -3.025 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.745 -4.434 -3.593 1.00 0.00 C ATOM 1451 C VAL B 39 -11.275 -4.287 -5.018 1.00 0.00 C ATOM 1452 O VAL B 39 -11.830 -5.241 -5.565 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.895 -4.954 -2.727 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.346 -6.336 -3.180 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.505 -4.965 -1.256 1.00 0.00 C ATOM 0 H VAL B 39 -10.932 -2.490 -2.825 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.902 -5.124 -3.617 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.737 -4.273 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.164 -6.678 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.686 -6.287 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.512 -7.034 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.339 -5.338 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.639 -5.612 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.257 -3.952 -0.938 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.123 -3.125 -5.631 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.617 -2.934 -6.993 1.00 0.00 C ATOM 1467 C ASP B 40 -10.518 -2.447 -7.939 1.00 0.00 C ATOM 1468 O ASP B 40 -10.802 -2.011 -9.054 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.780 -1.940 -6.997 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.949 -2.415 -6.158 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.759 -2.632 -4.942 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.056 -2.568 -6.715 1.00 0.00 O ATOM 0 H ASP B 40 -10.670 -2.309 -5.219 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.960 -3.904 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.433 -0.978 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.114 -1.779 -8.022 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.265 -2.513 -7.492 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.158 -2.062 -8.322 1.00 0.00 C ATOM 1479 C GLY B 41 -7.695 -3.112 -9.320 1.00 0.00 C ATOM 1480 O GLY B 41 -8.169 -4.249 -9.304 1.00 0.00 O ATOM 0 H GLY B 41 -8.997 -2.869 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.459 -1.164 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.321 -1.784 -7.681 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.753 -2.727 -10.182 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.207 -3.634 -11.188 1.00 0.00 C ATOM 1486 C GLU B 42 -4.862 -4.181 -10.722 1.00 0.00 C ATOM 1487 O GLU B 42 -3.850 -3.483 -10.760 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.037 -2.917 -12.533 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.331 -2.346 -13.096 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.814 -1.116 -12.350 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.074 -0.621 -11.474 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.926 -0.638 -12.653 1.00 0.00 O ATOM 0 H GLU B 42 -6.352 -1.789 -10.202 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.907 -4.459 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.316 -2.108 -12.414 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.615 -3.616 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.182 -2.092 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.105 -3.113 -13.060 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.862 -5.424 -10.251 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.647 -6.049 -9.743 1.00 0.00 C ATOM 1501 C TRP B 43 -2.949 -6.918 -10.785 1.00 0.00 C ATOM 1502 O TRP B 43 -3.499 -7.919 -11.243 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.975 -6.913 -8.529 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.588 -6.159 -7.393 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.583 -5.223 -7.457 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.245 -6.290 -6.015 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.876 -4.767 -6.195 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.069 -5.409 -5.293 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.320 -7.071 -5.322 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.992 -5.289 -3.910 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.244 -6.954 -3.951 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.077 -6.068 -3.256 1.00 0.00 C ATOM 0 H TRP B 43 -5.690 -6.018 -10.211 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.970 -5.239 -9.473 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.657 -7.707 -8.835 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.061 -7.394 -8.181 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.066 -4.892 -8.364 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.580 -4.065 -5.967 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.674 -7.756 -5.851 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.631 -4.605 -3.371 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.532 -7.554 -3.404 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.995 -5.998 -2.181 1.00 0.00 H new ATOM 1523 N THR B 44 -1.719 -6.549 -11.125 1.00 0.00 N ATOM 1524 CA THR B 44 -0.925 -7.314 -12.076 1.00 0.00 C ATOM 1525 C THR B 44 0.110 -8.146 -11.322 1.00 0.00 C ATOM 1526 O THR B 44 0.774 -7.646 -10.413 1.00 0.00 O ATOM 1527 CB THR B 44 -0.241 -6.383 -13.079 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.529 -5.405 -12.407 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.214 -5.660 -13.984 1.00 0.00 C ATOM 0 H THR B 44 -1.250 -5.722 -10.754 1.00 0.00 H new ATOM 0 HA THR B 44 -1.582 -7.982 -12.633 1.00 0.00 H new ATOM 0 HB THR B 44 0.388 -7.029 -13.692 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.356 -5.457 -11.444 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.663 -5.017 -14.670 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.791 -6.388 -14.553 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.890 -5.053 -13.381 1.00 0.00 H new ATOM 1537 N TYR B 45 0.228 -9.420 -11.681 1.00 0.00 N ATOM 1538 CA TYR B 45 1.163 -10.321 -11.012 1.00 0.00 C ATOM 1539 C TYR B 45 2.395 -10.601 -11.870 1.00 0.00 C ATOM 1540 O TYR B 45 2.289 -10.785 -13.084 1.00 0.00 O ATOM 1541 CB TYR B 45 0.453 -11.634 -10.672 1.00 0.00 C ATOM 1542 CG TYR B 45 1.325 -12.649 -9.967 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.291 -12.251 -9.050 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.178 -14.005 -10.218 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.084 -13.180 -8.403 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.967 -14.940 -9.576 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.919 -14.522 -8.669 1.00 0.00 C ATOM 1548 OH TYR B 45 3.707 -15.450 -8.027 1.00 0.00 O ATOM 0 H TYR B 45 -0.311 -9.853 -12.431 1.00 0.00 H new ATOM 0 HA TYR B 45 1.504 -9.835 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.410 -11.415 -10.043 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.072 -12.076 -11.593 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.424 -11.200 -8.840 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.434 -14.336 -10.928 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.830 -12.856 -7.692 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.839 -15.992 -9.783 1.00 0.00 H new ATOM 0 HH TYR B 45 3.462 -16.350 -8.327 1.00 0.00 H new ATOM 1558 N ASP B 46 3.565 -10.639 -11.231 1.00 0.00 N ATOM 1559 CA ASP B 46 4.813 -10.907 -11.936 1.00 0.00 C ATOM 1560 C ASP B 46 5.524 -12.116 -11.332 1.00 0.00 C ATOM 1561 O ASP B 46 6.441 -11.972 -10.522 1.00 0.00 O ATOM 1562 CB ASP B 46 5.727 -9.680 -11.882 1.00 0.00 C ATOM 1563 CG ASP B 46 7.031 -9.894 -12.623 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.788 -10.812 -12.243 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.298 -9.143 -13.586 1.00 0.00 O ATOM 0 H ASP B 46 3.672 -10.487 -10.228 1.00 0.00 H new ATOM 0 HA ASP B 46 4.578 -11.127 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.206 -8.824 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.940 -9.435 -10.841 1.00 0.00 H new ATOM 1570 N ASP B 47 5.087 -13.307 -11.730 1.00 0.00 N ATOM 1571 CA ASP B 47 5.668 -14.550 -11.229 1.00 0.00 C ATOM 1572 C ASP B 47 7.193 -14.537 -11.329 1.00 0.00 C ATOM 1573 O ASP B 47 7.887 -15.069 -10.463 1.00 0.00 O ATOM 1574 CB ASP B 47 5.112 -15.744 -12.007 1.00 0.00 C ATOM 1575 CG ASP B 47 3.603 -15.854 -11.899 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.908 -14.902 -12.312 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.117 -16.891 -11.402 1.00 0.00 O ATOM 0 H ASP B 47 4.330 -13.439 -12.400 1.00 0.00 H new ATOM 0 HA ASP B 47 5.397 -14.641 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.392 -15.653 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.568 -16.661 -11.634 1.00 0.00 H new ATOM 1582 N ALA B 48 7.706 -13.935 -12.396 1.00 0.00 N ATOM 1583 CA ALA B 48 9.146 -13.864 -12.622 1.00 0.00 C ATOM 1584 C ALA B 48 9.897 -13.355 -11.393 1.00 0.00 C ATOM 1585 O ALA B 48 11.042 -13.740 -11.156 1.00 0.00 O ATOM 1586 CB ALA B 48 9.443 -12.980 -13.822 1.00 0.00 C ATOM 0 H ALA B 48 7.145 -13.488 -13.121 1.00 0.00 H new ATOM 0 HA ALA B 48 9.496 -14.877 -12.821 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.520 -12.934 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.962 -13.395 -14.708 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.060 -11.976 -13.638 1.00 0.00 H new ATOM 1592 N THR B 49 9.258 -12.484 -10.617 1.00 0.00 N ATOM 1593 CA THR B 49 9.892 -11.927 -9.423 1.00 0.00 C ATOM 1594 C THR B 49 9.009 -12.080 -8.184 1.00 0.00 C ATOM 1595 O THR B 49 9.276 -11.469 -7.149 1.00 0.00 O ATOM 1596 CB THR B 49 10.220 -10.451 -9.640 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.044 -9.710 -9.918 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.190 -10.213 -10.777 1.00 0.00 C ATOM 0 H THR B 49 8.310 -12.150 -10.790 1.00 0.00 H new ATOM 0 HA THR B 49 10.811 -12.487 -9.252 1.00 0.00 H new ATOM 0 HB THR B 49 10.685 -10.121 -8.711 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.540 -10.153 -10.632 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.379 -9.144 -10.876 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.127 -10.730 -10.570 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.763 -10.593 -11.705 1.00 0.00 H new ATOM 1606 N LYS B 50 7.959 -12.893 -8.285 1.00 0.00 N ATOM 1607 CA LYS B 50 7.058 -13.103 -7.155 1.00 0.00 C ATOM 1608 C LYS B 50 6.531 -11.764 -6.640 1.00 0.00 C ATOM 1609 O LYS B 50 6.294 -11.597 -5.442 1.00 0.00 O ATOM 1610 CB LYS B 50 7.792 -13.830 -6.026 1.00 0.00 C ATOM 1611 CG LYS B 50 8.360 -15.183 -6.425 1.00 0.00 C ATOM 1612 CD LYS B 50 7.360 -16.309 -6.202 1.00 0.00 C ATOM 1613 CE LYS B 50 6.142 -16.184 -7.096 1.00 0.00 C ATOM 1614 NZ LYS B 50 6.511 -16.072 -8.534 1.00 0.00 N ATOM 0 H LYS B 50 7.713 -13.412 -9.128 1.00 0.00 H new ATOM 0 HA LYS B 50 6.218 -13.711 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.605 -13.198 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.106 -13.968 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.651 -15.159 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.264 -15.381 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.847 -17.266 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.044 -16.309 -5.159 1.00 0.00 H new ATOM 0 HE2 LYS B 50 5.498 -17.052 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.565 -15.308 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 5.679 -16.276 -9.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 6.847 -15.108 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 7.266 -16.753 -8.753 1.00 0.00 H new ATOM 1628 N THR B 51 6.380 -10.806 -7.549 1.00 0.00 N ATOM 1629 CA THR B 51 5.912 -9.471 -7.190 1.00 0.00 C ATOM 1630 C THR B 51 4.518 -9.206 -7.749 1.00 0.00 C ATOM 1631 O THR B 51 4.125 -9.792 -8.758 1.00 0.00 O ATOM 1632 CB THR B 51 6.900 -8.425 -7.717 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.158 -8.560 -7.082 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.440 -6.996 -7.527 1.00 0.00 C ATOM 0 H THR B 51 6.575 -10.930 -8.542 1.00 0.00 H new ATOM 0 HA THR B 51 5.854 -9.405 -6.104 1.00 0.00 H new ATOM 0 HB THR B 51 6.970 -8.619 -8.787 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.497 -9.469 -7.218 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.193 -6.315 -7.925 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.498 -6.844 -8.054 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.297 -6.798 -6.465 1.00 0.00 H new ATOM 1642 N PHE B 52 3.774 -8.314 -7.096 1.00 0.00 N ATOM 1643 CA PHE B 52 2.429 -7.984 -7.555 1.00 0.00 C ATOM 1644 C PHE B 52 2.219 -6.478 -7.683 1.00 0.00 C ATOM 1645 O PHE B 52 1.867 -5.798 -6.719 1.00 0.00 O ATOM 1646 CB PHE B 52 1.380 -8.540 -6.602 1.00 0.00 C ATOM 1647 CG PHE B 52 1.514 -10.010 -6.323 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.613 -10.500 -5.635 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.536 -10.898 -6.739 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.734 -11.850 -5.369 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.652 -12.250 -6.474 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.752 -12.726 -5.788 1.00 0.00 C ATOM 0 H PHE B 52 4.076 -7.814 -6.260 1.00 0.00 H new ATOM 0 HA PHE B 52 2.320 -8.439 -8.540 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.439 -7.997 -5.659 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.391 -8.350 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.383 -9.819 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.326 -10.531 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.596 -12.220 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.117 -12.933 -6.803 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.844 -13.782 -5.580 1.00 0.00 H new ATOM 1662 N THR B 53 2.418 -5.980 -8.890 1.00 0.00 N ATOM 1663 CA THR B 53 2.232 -4.557 -9.167 1.00 0.00 C ATOM 1664 C THR B 53 0.753 -4.197 -9.177 1.00 0.00 C ATOM 1665 O THR B 53 -0.050 -4.824 -9.864 1.00 0.00 O ATOM 1666 CB THR B 53 2.893 -4.144 -10.480 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.734 -5.141 -11.471 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.366 -3.829 -10.341 1.00 0.00 C ATOM 0 H THR B 53 2.708 -6.534 -9.696 1.00 0.00 H new ATOM 0 HA THR B 53 2.720 -4.004 -8.364 1.00 0.00 H new ATOM 0 HB THR B 53 2.382 -3.229 -10.780 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.908 -4.975 -11.972 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.770 -3.543 -11.312 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.497 -3.007 -9.637 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.893 -4.709 -9.973 1.00 0.00 H new ATOM 1676 N VAL B 54 0.408 -3.176 -8.402 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.970 -2.715 -8.306 1.00 0.00 C ATOM 1678 C VAL B 54 -1.098 -1.280 -8.802 1.00 0.00 C ATOM 1679 O VAL B 54 -0.490 -0.363 -8.250 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.491 -2.802 -6.854 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.940 -2.348 -6.773 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.340 -4.219 -6.320 1.00 0.00 C ATOM 0 H VAL B 54 1.068 -2.650 -7.829 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.573 -3.369 -8.936 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.893 -2.135 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.286 -2.418 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.017 -1.315 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.557 -2.985 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.711 -4.264 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -1.912 -4.906 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.288 -4.504 -6.337 1.00 0.00 H new ATOM 1692 N THR B 55 -1.901 -1.091 -9.844 1.00 0.00 N ATOM 1693 CA THR B 55 -2.117 0.235 -10.406 1.00 0.00 C ATOM 1694 C THR B 55 -3.465 0.782 -9.957 1.00 0.00 C ATOM 1695 O THR B 55 -4.510 0.234 -10.306 1.00 0.00 O ATOM 1696 CB THR B 55 -2.045 0.192 -11.933 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.847 -0.431 -12.360 1.00 0.00 O ATOM 1698 CG2 THR B 55 -2.092 1.565 -12.565 1.00 0.00 C ATOM 0 H THR B 55 -2.411 -1.838 -10.315 1.00 0.00 H new ATOM 0 HA THR B 55 -1.330 0.896 -10.044 1.00 0.00 H new ATOM 0 HB THR B 55 -2.921 -0.374 -12.251 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.820 -0.451 -13.339 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.037 1.468 -13.649 1.00 0.00 H new ATOM 0 HG22 THR B 55 -3.024 2.060 -12.291 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.249 2.158 -12.210 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.441 1.846 -9.157 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.676 2.433 -8.644 1.00 0.00 C ATOM 1708 C GLU B 56 -5.686 2.663 -9.766 1.00 0.00 C ATOM 1709 O GLU B 56 -5.265 2.707 -10.940 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.381 3.742 -7.904 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.966 4.893 -8.809 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.112 5.417 -9.656 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -6.107 5.900 -9.075 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.016 5.340 -10.899 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.889 2.798 -9.458 1.00 0.00 O ATOM 0 H GLU B 56 -2.588 2.315 -8.852 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.116 1.728 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -5.268 4.037 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.589 3.564 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.570 5.705 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.159 4.563 -9.462 1.00 0.00 H new TER 1722 GLU B 56