USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 160:sc= 2.3 (180deg=1.18) USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.903 USER MOD Set 2.1: A 63 GLN : amide:sc= -0.29 X(o=-0.29,f=0.18) USER MOD Set 2.2: A 67 ASN : amide:sc=-0.00186 X(o=-0.29,f=0.18) USER MOD Set 3.1: A 30 TYR OH : rot 166:sc= 0.475 USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 50 ASN : amide:sc= -0.0265 K(o=0.96,f=-6.9!) USER MOD Set 3.4: A 52 LYS NZ :NH3+ -168:sc= 0.509 (180deg=-0.794) USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.0782 K(o=0.16,f=-0.66) USER MOD Set 4.2: A 25 ASN : amide:sc= 0.0806 X(o=0.16,f=-0.34) USER MOD Single : A 1 MET CE :methyl -146:sc= -1.55 (180deg=-3!) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 0.557 (180deg=0.452) USER MOD Single : A 9 SER OG : rot -70:sc= 0.865 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00457 USER MOD Single : A 13 ASN : amide:sc= -0.0869 K(o=-0.087,f=-2!) USER MOD Single : A 16 SER OG : rot 72:sc= 0.943 USER MOD Single : A 17 SER OG : rot 71:sc= 0.784 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0.66 (180deg=0.51) USER MOD Single : A 26 TYR OH : rot 90:sc= -0.882 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -26:sc= 0.484 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0073 USER MOD Single : A 37 SER OG : rot -122:sc= 0.0188 USER MOD Single : A 38 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.045) USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= -0.198 (180deg=-1.12) USER MOD Single : A 47 MET CE :methyl -142:sc= -0.619 (180deg=-3.07!) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= -0.385 (180deg=-0.444) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.923 K(o=-0.92,f=-2!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.267 F(o=-0.84,f=-0.27) USER MOD Single : A 71 ASN : amide:sc=-0.00933 K(o=-0.0093,f=-1.9) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1 (180deg=0.977) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 45:sc= 0.426 USER MOD Single : A 92 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.069 F(o=-1.2,f=-0.069) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 47:sc= 0.334 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 109 HIS : no HD1:sc=-0.00144 X(o=-0.0014,f=-0.0014) USER MOD Single : A 110 HIS : no HD1:sc=-0.00165 X(o=-0.0017,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-2.3!) USER MOD Single : A 112 HIS : no HE2:sc= 0.114 K(o=0.11,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.910 5.025 14.703 1.00 12.21 N ATOM 2 CA MET A 1 2.385 4.948 14.686 1.00 34.01 C ATOM 3 C MET A 1 2.825 3.808 13.745 1.00 72.14 C ATOM 4 O MET A 1 2.269 2.709 13.812 1.00 54.53 O ATOM 5 CB MET A 1 2.923 4.708 16.131 1.00 22.13 C ATOM 6 CG MET A 1 4.287 5.336 16.395 1.00 53.20 C ATOM 7 SD MET A 1 4.176 7.132 16.326 1.00 12.35 S ATOM 8 CE MET A 1 5.883 7.601 16.495 1.00 73.11 C ATOM 0 H1 MET A 1 0.599 5.532 15.556 1.00 12.21 H new ATOM 0 H2 MET A 1 0.579 5.533 13.858 1.00 12.21 H new ATOM 0 H3 MET A 1 0.512 4.064 14.707 1.00 12.21 H new ATOM 0 HA MET A 1 2.797 5.888 14.320 1.00 34.01 H new ATOM 0 HB2 MET A 1 2.205 5.109 16.847 1.00 22.13 H new ATOM 0 HB3 MET A 1 2.987 3.635 16.311 1.00 22.13 H new ATOM 0 HG2 MET A 1 4.654 5.025 17.373 1.00 53.20 H new ATOM 0 HG3 MET A 1 5.007 4.981 15.657 1.00 53.20 H new ATOM 0 HE1 MET A 1 5.950 8.536 17.051 1.00 73.11 H new ATOM 0 HE2 MET A 1 6.423 6.821 17.031 1.00 73.11 H new ATOM 0 HE3 MET A 1 6.323 7.734 15.507 1.00 73.11 H new ATOM 20 N GLY A 2 3.850 4.074 12.901 1.00 63.04 N ATOM 21 CA GLY A 2 4.277 3.137 11.846 1.00 35.20 C ATOM 22 C GLY A 2 3.325 3.225 10.658 1.00 43.23 C ATOM 23 O GLY A 2 2.229 2.658 10.702 1.00 34.01 O ATOM 0 H GLY A 2 4.396 4.935 12.935 1.00 63.04 H new ATOM 0 HA2 GLY A 2 5.293 3.372 11.528 1.00 35.20 H new ATOM 0 HA3 GLY A 2 4.293 2.119 12.236 1.00 35.20 H new ATOM 27 N LYS A 3 3.723 3.967 9.604 1.00 51.24 N ATOM 28 CA LYS A 3 2.799 4.378 8.531 1.00 63.24 C ATOM 29 C LYS A 3 2.950 3.528 7.254 1.00 2.34 C ATOM 30 O LYS A 3 4.054 3.129 6.884 1.00 51.45 O ATOM 31 CB LYS A 3 2.978 5.890 8.222 1.00 3.51 C ATOM 32 CG LYS A 3 2.011 6.422 7.138 1.00 25.24 C ATOM 33 CD LYS A 3 1.989 7.958 7.015 1.00 21.21 C ATOM 34 CE LYS A 3 1.278 8.638 8.197 1.00 41.34 C ATOM 35 NZ LYS A 3 0.996 10.074 7.929 1.00 52.32 N ATOM 0 H LYS A 3 4.681 4.294 9.475 1.00 51.24 H new ATOM 0 HA LYS A 3 1.785 4.205 8.893 1.00 63.24 H new ATOM 0 HB2 LYS A 3 2.830 6.459 9.140 1.00 3.51 H new ATOM 0 HB3 LYS A 3 4.004 6.067 7.899 1.00 3.51 H new ATOM 0 HG2 LYS A 3 2.291 5.995 6.175 1.00 25.24 H new ATOM 0 HG3 LYS A 3 1.003 6.071 7.361 1.00 25.24 H new ATOM 0 HD2 LYS A 3 3.012 8.328 6.950 1.00 21.21 H new ATOM 0 HD3 LYS A 3 1.490 8.237 6.087 1.00 21.21 H new ATOM 0 HE2 LYS A 3 0.343 8.118 8.405 1.00 41.34 H new ATOM 0 HE3 LYS A 3 1.896 8.551 9.090 1.00 41.34 H new ATOM 0 HZ1 LYS A 3 0.332 10.436 8.642 1.00 52.32 H new ATOM 0 HZ2 LYS A 3 1.882 10.616 7.974 1.00 52.32 H new ATOM 0 HZ3 LYS A 3 0.577 10.175 6.983 1.00 52.32 H new ATOM 49 N VAL A 4 1.796 3.270 6.602 1.00 3.14 N ATOM 50 CA VAL A 4 1.688 2.555 5.319 1.00 11.21 C ATOM 51 C VAL A 4 1.092 3.504 4.252 1.00 52.34 C ATOM 52 O VAL A 4 0.309 4.397 4.585 1.00 72.33 O ATOM 53 CB VAL A 4 0.753 1.290 5.456 1.00 44.42 C ATOM 54 CG1 VAL A 4 0.732 0.450 4.157 1.00 24.53 C ATOM 55 CG2 VAL A 4 1.150 0.424 6.672 1.00 43.12 C ATOM 0 H VAL A 4 0.890 3.563 6.967 1.00 3.14 H new ATOM 0 HA VAL A 4 2.684 2.227 5.023 1.00 11.21 H new ATOM 0 HB VAL A 4 -0.260 1.656 5.625 1.00 44.42 H new ATOM 0 HG11 VAL A 4 0.078 -0.411 4.291 1.00 24.53 H new ATOM 0 HG12 VAL A 4 0.362 1.062 3.334 1.00 24.53 H new ATOM 0 HG13 VAL A 4 1.741 0.107 3.929 1.00 24.53 H new ATOM 0 HG21 VAL A 4 0.486 -0.438 6.737 1.00 43.12 H new ATOM 0 HG22 VAL A 4 2.178 0.082 6.555 1.00 43.12 H new ATOM 0 HG23 VAL A 4 1.066 1.016 7.583 1.00 43.12 H new ATOM 65 N LEU A 5 1.480 3.322 2.985 1.00 61.52 N ATOM 66 CA LEU A 5 0.867 4.006 1.842 1.00 51.23 C ATOM 67 C LEU A 5 -0.030 3.007 1.095 1.00 52.52 C ATOM 68 O LEU A 5 0.460 2.017 0.547 1.00 61.42 O ATOM 69 CB LEU A 5 1.961 4.565 0.900 1.00 34.41 C ATOM 70 CG LEU A 5 1.448 5.426 -0.299 1.00 1.53 C ATOM 71 CD1 LEU A 5 0.709 6.692 0.191 1.00 1.35 C ATOM 72 CD2 LEU A 5 2.600 5.784 -1.257 1.00 60.32 C ATOM 0 H LEU A 5 2.236 2.689 2.722 1.00 61.52 H new ATOM 0 HA LEU A 5 0.266 4.845 2.192 1.00 51.23 H new ATOM 0 HB2 LEU A 5 2.648 5.171 1.491 1.00 34.41 H new ATOM 0 HB3 LEU A 5 2.535 3.728 0.503 1.00 34.41 H new ATOM 0 HG LEU A 5 0.729 4.824 -0.855 1.00 1.53 H new ATOM 0 HD11 LEU A 5 0.365 7.268 -0.668 1.00 1.35 H new ATOM 0 HD12 LEU A 5 -0.148 6.401 0.799 1.00 1.35 H new ATOM 0 HD13 LEU A 5 1.387 7.301 0.788 1.00 1.35 H new ATOM 0 HD21 LEU A 5 2.214 6.383 -2.082 1.00 60.32 H new ATOM 0 HD22 LEU A 5 3.358 6.353 -0.718 1.00 60.32 H new ATOM 0 HD23 LEU A 5 3.044 4.869 -1.650 1.00 60.32 H new ATOM 84 N LEU A 6 -1.337 3.269 1.086 1.00 62.01 N ATOM 85 CA LEU A 6 -2.343 2.382 0.493 1.00 11.32 C ATOM 86 C LEU A 6 -2.617 2.820 -0.959 1.00 60.13 C ATOM 87 O LEU A 6 -3.366 3.772 -1.191 1.00 3.44 O ATOM 88 CB LEU A 6 -3.639 2.443 1.347 1.00 23.03 C ATOM 89 CG LEU A 6 -4.814 1.509 0.906 1.00 51.10 C ATOM 90 CD1 LEU A 6 -4.434 0.017 1.047 1.00 35.43 C ATOM 91 CD2 LEU A 6 -6.103 1.849 1.688 1.00 23.23 C ATOM 0 H LEU A 6 -1.734 4.115 1.496 1.00 62.01 H new ATOM 0 HA LEU A 6 -1.982 1.354 0.480 1.00 11.32 H new ATOM 0 HB2 LEU A 6 -3.380 2.200 2.377 1.00 23.03 H new ATOM 0 HB3 LEU A 6 -4.001 3.471 1.343 1.00 23.03 H new ATOM 0 HG LEU A 6 -5.010 1.687 -0.151 1.00 51.10 H new ATOM 0 HD11 LEU A 6 -5.273 -0.603 0.732 1.00 35.43 H new ATOM 0 HD12 LEU A 6 -3.568 -0.199 0.421 1.00 35.43 H new ATOM 0 HD13 LEU A 6 -4.193 -0.200 2.087 1.00 35.43 H new ATOM 0 HD21 LEU A 6 -6.908 1.188 1.367 1.00 23.23 H new ATOM 0 HD22 LEU A 6 -5.927 1.715 2.755 1.00 23.23 H new ATOM 0 HD23 LEU A 6 -6.384 2.884 1.494 1.00 23.23 H new ATOM 103 N VAL A 7 -1.998 2.129 -1.929 1.00 25.41 N ATOM 104 CA VAL A 7 -2.120 2.474 -3.356 1.00 51.00 C ATOM 105 C VAL A 7 -3.335 1.752 -3.965 1.00 45.34 C ATOM 106 O VAL A 7 -3.321 0.532 -4.175 1.00 3.11 O ATOM 107 CB VAL A 7 -0.819 2.100 -4.157 1.00 44.12 C ATOM 108 CG1 VAL A 7 -0.959 2.446 -5.669 1.00 71.25 C ATOM 109 CG2 VAL A 7 0.420 2.785 -3.533 1.00 55.03 C ATOM 0 H VAL A 7 -1.402 1.321 -1.749 1.00 25.41 H new ATOM 0 HA VAL A 7 -2.258 3.553 -3.429 1.00 51.00 H new ATOM 0 HB VAL A 7 -0.680 1.021 -4.087 1.00 44.12 H new ATOM 0 HG11 VAL A 7 -0.042 2.174 -6.191 1.00 71.25 H new ATOM 0 HG12 VAL A 7 -1.796 1.891 -6.093 1.00 71.25 H new ATOM 0 HG13 VAL A 7 -1.138 3.515 -5.783 1.00 71.25 H new ATOM 0 HG21 VAL A 7 1.310 2.514 -4.101 1.00 55.03 H new ATOM 0 HG22 VAL A 7 0.289 3.867 -3.558 1.00 55.03 H new ATOM 0 HG23 VAL A 7 0.535 2.457 -2.500 1.00 55.03 H new ATOM 119 N ILE A 8 -4.392 2.531 -4.201 1.00 0.30 N ATOM 120 CA ILE A 8 -5.610 2.087 -4.879 1.00 33.11 C ATOM 121 C ILE A 8 -5.592 2.623 -6.319 1.00 21.51 C ATOM 122 O ILE A 8 -5.454 3.840 -6.535 1.00 51.10 O ATOM 123 CB ILE A 8 -6.892 2.616 -4.132 1.00 61.54 C ATOM 124 CG1 ILE A 8 -6.832 2.253 -2.615 1.00 42.22 C ATOM 125 CG2 ILE A 8 -8.189 2.068 -4.784 1.00 51.31 C ATOM 126 CD1 ILE A 8 -7.980 2.802 -1.793 1.00 14.54 C ATOM 0 H ILE A 8 -4.425 3.511 -3.919 1.00 0.30 H new ATOM 0 HA ILE A 8 -5.644 0.998 -4.880 1.00 33.11 H new ATOM 0 HB ILE A 8 -6.911 3.702 -4.223 1.00 61.54 H new ATOM 0 HG12 ILE A 8 -6.816 1.168 -2.514 1.00 42.22 H new ATOM 0 HG13 ILE A 8 -5.895 2.626 -2.202 1.00 42.22 H new ATOM 0 HG21 ILE A 8 -9.056 2.451 -4.246 1.00 51.31 H new ATOM 0 HG22 ILE A 8 -8.237 2.389 -5.825 1.00 51.31 H new ATOM 0 HG23 ILE A 8 -8.186 0.979 -4.740 1.00 51.31 H new ATOM 0 HD11 ILE A 8 -7.858 2.502 -0.752 1.00 14.54 H new ATOM 0 HD12 ILE A 8 -7.987 3.890 -1.859 1.00 14.54 H new ATOM 0 HD13 ILE A 8 -8.922 2.409 -2.176 1.00 14.54 H new ATOM 138 N SER A 9 -5.723 1.719 -7.299 1.00 60.45 N ATOM 139 CA SER A 9 -5.797 2.087 -8.720 1.00 1.45 C ATOM 140 C SER A 9 -6.823 1.186 -9.414 1.00 21.01 C ATOM 141 O SER A 9 -6.824 -0.031 -9.205 1.00 52.43 O ATOM 142 CB SER A 9 -4.415 1.959 -9.399 1.00 2.41 C ATOM 143 OG SER A 9 -3.396 2.565 -8.624 1.00 60.12 O ATOM 0 H SER A 9 -5.781 0.715 -7.130 1.00 60.45 H new ATOM 0 HA SER A 9 -6.108 3.128 -8.804 1.00 1.45 H new ATOM 0 HB2 SER A 9 -4.180 0.906 -9.551 1.00 2.41 H new ATOM 0 HB3 SER A 9 -4.449 2.424 -10.384 1.00 2.41 H new ATOM 0 HG SER A 9 -3.510 3.538 -8.637 1.00 60.12 H new ATOM 149 N THR A 10 -7.687 1.797 -10.239 1.00 53.43 N ATOM 150 CA THR A 10 -8.680 1.076 -11.057 1.00 3.30 C ATOM 151 C THR A 10 -7.979 0.267 -12.181 1.00 11.13 C ATOM 152 O THR A 10 -8.499 -0.748 -12.668 1.00 41.34 O ATOM 153 CB THR A 10 -9.693 2.104 -11.660 1.00 21.20 C ATOM 154 OG1 THR A 10 -10.223 2.913 -10.598 1.00 23.00 O ATOM 155 CG2 THR A 10 -10.858 1.437 -12.421 1.00 22.43 C ATOM 0 H THR A 10 -7.718 2.809 -10.359 1.00 53.43 H new ATOM 0 HA THR A 10 -9.221 0.368 -10.428 1.00 3.30 H new ATOM 0 HB THR A 10 -9.147 2.708 -12.385 1.00 21.20 H new ATOM 0 HG1 THR A 10 -10.858 3.562 -10.967 1.00 23.00 H new ATOM 0 HG21 THR A 10 -11.524 2.206 -12.814 1.00 22.43 H new ATOM 0 HG22 THR A 10 -10.462 0.844 -13.245 1.00 22.43 H new ATOM 0 HG23 THR A 10 -11.413 0.789 -11.742 1.00 22.43 H new ATOM 163 N ASP A 11 -6.766 0.717 -12.541 1.00 1.53 N ATOM 164 CA ASP A 11 -5.940 0.104 -13.585 1.00 42.31 C ATOM 165 C ASP A 11 -4.942 -0.868 -12.940 1.00 50.45 C ATOM 166 O ASP A 11 -3.866 -0.461 -12.477 1.00 32.10 O ATOM 167 CB ASP A 11 -5.198 1.194 -14.384 1.00 25.13 C ATOM 168 CG ASP A 11 -6.127 2.070 -15.228 1.00 43.40 C ATOM 169 OD1 ASP A 11 -6.611 3.100 -14.725 1.00 52.25 O ATOM 170 OD2 ASP A 11 -6.372 1.734 -16.404 1.00 35.25 O ATOM 0 H ASP A 11 -6.328 1.529 -12.106 1.00 1.53 H new ATOM 0 HA ASP A 11 -6.578 -0.449 -14.275 1.00 42.31 H new ATOM 0 HB2 ASP A 11 -4.644 1.828 -13.691 1.00 25.13 H new ATOM 0 HB3 ASP A 11 -4.466 0.720 -15.037 1.00 25.13 H new ATOM 175 N THR A 12 -5.322 -2.151 -12.906 1.00 4.41 N ATOM 176 CA THR A 12 -4.539 -3.234 -12.280 1.00 24.24 C ATOM 177 C THR A 12 -3.167 -3.421 -12.977 1.00 72.13 C ATOM 178 O THR A 12 -2.184 -3.806 -12.337 1.00 51.23 O ATOM 179 CB THR A 12 -5.354 -4.570 -12.319 1.00 1.12 C ATOM 180 OG1 THR A 12 -6.715 -4.302 -11.935 1.00 52.13 O ATOM 181 CG2 THR A 12 -4.779 -5.643 -11.381 1.00 72.53 C ATOM 0 H THR A 12 -6.196 -2.476 -13.319 1.00 4.41 H new ATOM 0 HA THR A 12 -4.347 -2.957 -11.243 1.00 24.24 H new ATOM 0 HB THR A 12 -5.297 -4.955 -13.337 1.00 1.12 H new ATOM 0 HG1 THR A 12 -7.232 -5.134 -11.959 1.00 52.13 H new ATOM 0 HG21 THR A 12 -5.384 -6.547 -11.449 1.00 72.53 H new ATOM 0 HG22 THR A 12 -3.753 -5.869 -11.672 1.00 72.53 H new ATOM 0 HG23 THR A 12 -4.792 -5.274 -10.355 1.00 72.53 H new ATOM 189 N ASN A 13 -3.129 -3.128 -14.296 1.00 63.15 N ATOM 190 CA ASN A 13 -1.892 -3.155 -15.113 1.00 30.25 C ATOM 191 C ASN A 13 -0.891 -2.103 -14.609 1.00 64.33 C ATOM 192 O ASN A 13 0.320 -2.347 -14.596 1.00 31.13 O ATOM 193 CB ASN A 13 -2.209 -2.902 -16.616 1.00 32.44 C ATOM 194 CG ASN A 13 -3.091 -3.977 -17.255 1.00 33.23 C ATOM 195 OD1 ASN A 13 -3.877 -4.653 -16.586 1.00 30.01 O ATOM 196 ND2 ASN A 13 -2.991 -4.124 -18.569 1.00 44.13 N ATOM 0 H ASN A 13 -3.959 -2.865 -14.828 1.00 63.15 H new ATOM 0 HA ASN A 13 -1.449 -4.146 -15.014 1.00 30.25 H new ATOM 0 HB2 ASN A 13 -2.703 -1.935 -16.715 1.00 32.44 H new ATOM 0 HB3 ASN A 13 -1.272 -2.839 -17.169 1.00 32.44 H new ATOM 0 HD21 ASN A 13 -3.572 -4.809 -19.051 1.00 44.13 H new ATOM 0 HD22 ASN A 13 -2.333 -3.552 -19.098 1.00 44.13 H new ATOM 203 N ILE A 14 -1.420 -0.941 -14.168 1.00 65.05 N ATOM 204 CA ILE A 14 -0.602 0.158 -13.637 1.00 24.54 C ATOM 205 C ILE A 14 -0.057 -0.226 -12.254 1.00 20.34 C ATOM 206 O ILE A 14 1.111 0.025 -11.960 1.00 34.35 O ATOM 207 CB ILE A 14 -1.419 1.503 -13.571 1.00 11.35 C ATOM 208 CG1 ILE A 14 -1.881 1.942 -15.001 1.00 11.32 C ATOM 209 CG2 ILE A 14 -0.626 2.629 -12.876 1.00 2.12 C ATOM 210 CD1 ILE A 14 -0.775 2.114 -16.027 1.00 0.02 C ATOM 0 H ILE A 14 -2.421 -0.744 -14.172 1.00 65.05 H new ATOM 0 HA ILE A 14 0.236 0.326 -14.313 1.00 24.54 H new ATOM 0 HB ILE A 14 -2.305 1.315 -12.965 1.00 11.35 H new ATOM 0 HG12 ILE A 14 -2.588 1.203 -15.377 1.00 11.32 H new ATOM 0 HG13 ILE A 14 -2.421 2.885 -14.915 1.00 11.32 H new ATOM 0 HG21 ILE A 14 -1.228 3.537 -12.853 1.00 2.12 H new ATOM 0 HG22 ILE A 14 -0.384 2.328 -11.857 1.00 2.12 H new ATOM 0 HG23 ILE A 14 0.296 2.818 -13.426 1.00 2.12 H new ATOM 0 HD11 ILE A 14 -1.207 2.419 -16.980 1.00 0.02 H new ATOM 0 HD12 ILE A 14 -0.076 2.877 -15.684 1.00 0.02 H new ATOM 0 HD13 ILE A 14 -0.246 1.169 -16.154 1.00 0.02 H new ATOM 222 N ILE A 15 -0.919 -0.870 -11.434 1.00 30.45 N ATOM 223 CA ILE A 15 -0.530 -1.443 -10.128 1.00 4.25 C ATOM 224 C ILE A 15 0.670 -2.383 -10.298 1.00 72.32 C ATOM 225 O ILE A 15 1.650 -2.261 -9.576 1.00 13.42 O ATOM 226 CB ILE A 15 -1.732 -2.220 -9.458 1.00 73.14 C ATOM 227 CG1 ILE A 15 -2.865 -1.222 -9.089 1.00 60.22 C ATOM 228 CG2 ILE A 15 -1.287 -3.046 -8.221 1.00 24.13 C ATOM 229 CD1 ILE A 15 -4.090 -1.841 -8.445 1.00 73.32 C ATOM 0 H ILE A 15 -1.904 -1.006 -11.661 1.00 30.45 H new ATOM 0 HA ILE A 15 -0.252 -0.618 -9.472 1.00 4.25 H new ATOM 0 HB ILE A 15 -2.111 -2.937 -10.186 1.00 73.14 H new ATOM 0 HG12 ILE A 15 -2.459 -0.471 -8.411 1.00 60.22 H new ATOM 0 HG13 ILE A 15 -3.175 -0.700 -9.994 1.00 60.22 H new ATOM 0 HG21 ILE A 15 -2.150 -3.561 -7.798 1.00 24.13 H new ATOM 0 HG22 ILE A 15 -0.539 -3.779 -8.523 1.00 24.13 H new ATOM 0 HG23 ILE A 15 -0.859 -2.379 -7.473 1.00 24.13 H new ATOM 0 HD11 ILE A 15 -4.820 -1.061 -8.227 1.00 73.32 H new ATOM 0 HD12 ILE A 15 -4.530 -2.570 -9.126 1.00 73.32 H new ATOM 0 HD13 ILE A 15 -3.802 -2.338 -7.518 1.00 73.32 H new ATOM 241 N SER A 16 0.578 -3.271 -11.304 1.00 1.53 N ATOM 242 CA SER A 16 1.613 -4.266 -11.619 1.00 11.44 C ATOM 243 C SER A 16 2.944 -3.589 -12.014 1.00 21.13 C ATOM 244 O SER A 16 4.015 -4.013 -11.573 1.00 71.44 O ATOM 245 CB SER A 16 1.110 -5.179 -12.760 1.00 70.43 C ATOM 246 OG SER A 16 -0.140 -5.767 -12.434 1.00 20.41 O ATOM 0 H SER A 16 -0.228 -3.316 -11.927 1.00 1.53 H new ATOM 0 HA SER A 16 1.805 -4.865 -10.729 1.00 11.44 H new ATOM 0 HB2 SER A 16 1.014 -4.599 -13.678 1.00 70.43 H new ATOM 0 HB3 SER A 16 1.844 -5.962 -12.953 1.00 70.43 H new ATOM 0 HG SER A 16 -0.842 -5.083 -12.467 1.00 20.41 H new ATOM 252 N SER A 17 2.847 -2.525 -12.841 1.00 55.44 N ATOM 253 CA SER A 17 4.018 -1.773 -13.344 1.00 24.22 C ATOM 254 C SER A 17 4.793 -1.091 -12.194 1.00 72.31 C ATOM 255 O SER A 17 5.997 -1.317 -12.023 1.00 54.44 O ATOM 256 CB SER A 17 3.561 -0.734 -14.394 1.00 22.03 C ATOM 257 OG SER A 17 2.899 -1.370 -15.475 1.00 70.34 O ATOM 0 H SER A 17 1.955 -2.163 -13.179 1.00 55.44 H new ATOM 0 HA SER A 17 4.701 -2.479 -13.817 1.00 24.22 H new ATOM 0 HB2 SER A 17 2.893 -0.009 -13.928 1.00 22.03 H new ATOM 0 HB3 SER A 17 4.424 -0.181 -14.765 1.00 22.03 H new ATOM 0 HG SER A 17 2.027 -1.702 -15.175 1.00 70.34 H new ATOM 263 N VAL A 18 4.063 -0.293 -11.398 1.00 13.31 N ATOM 264 CA VAL A 18 4.617 0.496 -10.274 1.00 3.12 C ATOM 265 C VAL A 18 5.191 -0.419 -9.186 1.00 64.11 C ATOM 266 O VAL A 18 6.250 -0.139 -8.626 1.00 53.41 O ATOM 267 CB VAL A 18 3.510 1.423 -9.651 1.00 75.21 C ATOM 268 CG1 VAL A 18 4.052 2.248 -8.456 1.00 43.33 C ATOM 269 CG2 VAL A 18 2.905 2.336 -10.734 1.00 62.34 C ATOM 0 H VAL A 18 3.057 -0.173 -11.515 1.00 13.31 H new ATOM 0 HA VAL A 18 5.422 1.114 -10.671 1.00 3.12 H new ATOM 0 HB VAL A 18 2.720 0.783 -9.259 1.00 75.21 H new ATOM 0 HG11 VAL A 18 3.255 2.875 -8.055 1.00 43.33 H new ATOM 0 HG12 VAL A 18 4.408 1.572 -7.679 1.00 43.33 H new ATOM 0 HG13 VAL A 18 4.875 2.879 -8.793 1.00 43.33 H new ATOM 0 HG21 VAL A 18 2.140 2.972 -10.288 1.00 62.34 H new ATOM 0 HG22 VAL A 18 3.689 2.959 -11.164 1.00 62.34 H new ATOM 0 HG23 VAL A 18 2.457 1.724 -11.517 1.00 62.34 H new ATOM 279 N GLN A 19 4.455 -1.508 -8.919 1.00 54.52 N ATOM 280 CA GLN A 19 4.814 -2.533 -7.933 1.00 74.53 C ATOM 281 C GLN A 19 6.211 -3.088 -8.204 1.00 43.05 C ATOM 282 O GLN A 19 7.095 -2.965 -7.367 1.00 41.33 O ATOM 283 CB GLN A 19 3.766 -3.661 -7.994 1.00 32.45 C ATOM 284 CG GLN A 19 3.979 -4.849 -7.046 1.00 63.25 C ATOM 285 CD GLN A 19 2.942 -5.957 -7.245 1.00 42.22 C ATOM 286 OE1 GLN A 19 1.709 -5.595 -7.603 1.00 2.40 O flip ATOM 287 NE2 GLN A 19 3.231 -7.135 -7.050 1.00 3.25 N flip ATOM 0 H GLN A 19 3.574 -1.703 -9.395 1.00 54.52 H new ATOM 0 HA GLN A 19 4.825 -2.089 -6.938 1.00 74.53 H new ATOM 0 HB2 GLN A 19 2.788 -3.229 -7.784 1.00 32.45 H new ATOM 0 HB3 GLN A 19 3.734 -4.041 -9.015 1.00 32.45 H new ATOM 0 HG2 GLN A 19 4.977 -5.259 -7.202 1.00 63.25 H new ATOM 0 HG3 GLN A 19 3.936 -4.498 -6.015 1.00 63.25 H new ATOM 0 HE21 GLN A 19 4.180 -7.389 -6.777 1.00 3.25 H new ATOM 0 HE22 GLN A 19 2.522 -7.859 -7.161 1.00 3.25 H new ATOM 296 N GLU A 20 6.397 -3.641 -9.415 1.00 42.32 N ATOM 297 CA GLU A 20 7.652 -4.294 -9.822 1.00 55.41 C ATOM 298 C GLU A 20 8.804 -3.284 -9.977 1.00 61.13 C ATOM 299 O GLU A 20 9.970 -3.642 -9.785 1.00 54.41 O ATOM 300 CB GLU A 20 7.431 -5.075 -11.139 1.00 41.11 C ATOM 301 CG GLU A 20 6.387 -6.209 -11.040 1.00 43.23 C ATOM 302 CD GLU A 20 6.731 -7.272 -9.981 1.00 0.15 C ATOM 303 OE1 GLU A 20 7.708 -8.030 -10.184 1.00 52.22 O ATOM 304 OE2 GLU A 20 6.038 -7.355 -8.941 1.00 65.05 O ATOM 0 H GLU A 20 5.680 -3.647 -10.140 1.00 42.32 H new ATOM 0 HA GLU A 20 7.941 -4.988 -9.033 1.00 55.41 H new ATOM 0 HB2 GLU A 20 7.117 -4.375 -11.914 1.00 41.11 H new ATOM 0 HB3 GLU A 20 8.382 -5.500 -11.459 1.00 41.11 H new ATOM 0 HG2 GLU A 20 5.414 -5.777 -10.806 1.00 43.23 H new ATOM 0 HG3 GLU A 20 6.295 -6.693 -12.012 1.00 43.23 H new ATOM 311 N ARG A 21 8.467 -2.029 -10.334 1.00 35.43 N ATOM 312 CA ARG A 21 9.450 -0.942 -10.492 1.00 13.42 C ATOM 313 C ARG A 21 9.982 -0.484 -9.123 1.00 72.53 C ATOM 314 O ARG A 21 11.181 -0.225 -8.961 1.00 73.43 O ATOM 315 CB ARG A 21 8.804 0.233 -11.272 1.00 72.51 C ATOM 316 CG ARG A 21 9.768 1.409 -11.585 1.00 32.25 C ATOM 317 CD ARG A 21 9.427 2.129 -12.902 1.00 72.32 C ATOM 318 NE ARG A 21 9.390 1.176 -14.034 1.00 43.13 N ATOM 319 CZ ARG A 21 9.966 1.337 -15.235 1.00 1.42 C ATOM 320 NH1 ARG A 21 10.655 2.433 -15.536 1.00 51.12 N ATOM 321 NH2 ARG A 21 9.841 0.375 -16.134 1.00 71.12 N ATOM 0 H ARG A 21 7.506 -1.742 -10.521 1.00 35.43 H new ATOM 0 HA ARG A 21 10.303 -1.309 -11.063 1.00 13.42 H new ATOM 0 HB2 ARG A 21 8.401 -0.149 -12.210 1.00 72.51 H new ATOM 0 HB3 ARG A 21 7.961 0.615 -10.695 1.00 72.51 H new ATOM 0 HG2 ARG A 21 9.735 2.127 -10.765 1.00 32.25 H new ATOM 0 HG3 ARG A 21 10.789 1.031 -11.637 1.00 32.25 H new ATOM 0 HD2 ARG A 21 8.462 2.626 -12.809 1.00 72.32 H new ATOM 0 HD3 ARG A 21 10.167 2.904 -13.099 1.00 72.32 H new ATOM 0 HE ARG A 21 8.874 0.309 -13.886 1.00 43.13 H new ATOM 0 HH11 ARG A 21 10.756 3.177 -14.846 1.00 51.12 H new ATOM 0 HH12 ARG A 21 11.083 2.530 -16.457 1.00 51.12 H new ATOM 0 HH21 ARG A 21 9.315 -0.469 -15.908 1.00 71.12 H new ATOM 0 HH22 ARG A 21 10.271 0.477 -17.053 1.00 71.12 H new ATOM 335 N ALA A 22 9.079 -0.426 -8.139 1.00 25.12 N ATOM 336 CA ALA A 22 9.408 -0.033 -6.764 1.00 32.43 C ATOM 337 C ALA A 22 10.091 -1.193 -6.014 1.00 73.04 C ATOM 338 O ALA A 22 10.880 -0.956 -5.111 1.00 61.24 O ATOM 339 CB ALA A 22 8.141 0.435 -6.039 1.00 33.14 C ATOM 0 H ALA A 22 8.093 -0.652 -8.274 1.00 25.12 H new ATOM 0 HA ALA A 22 10.113 0.798 -6.790 1.00 32.43 H new ATOM 0 HB1 ALA A 22 8.392 0.725 -5.019 1.00 33.14 H new ATOM 0 HB2 ALA A 22 7.715 1.289 -6.565 1.00 33.14 H new ATOM 0 HB3 ALA A 22 7.414 -0.377 -6.017 1.00 33.14 H new ATOM 345 N LYS A 23 9.760 -2.444 -6.398 1.00 42.32 N ATOM 346 CA LYS A 23 10.449 -3.665 -5.908 1.00 32.25 C ATOM 347 C LYS A 23 11.852 -3.793 -6.523 1.00 63.23 C ATOM 348 O LYS A 23 12.729 -4.448 -5.954 1.00 50.41 O ATOM 349 CB LYS A 23 9.620 -4.931 -6.241 1.00 44.33 C ATOM 350 CG LYS A 23 8.334 -5.099 -5.411 1.00 3.11 C ATOM 351 CD LYS A 23 7.434 -6.248 -5.922 1.00 64.23 C ATOM 352 CE LYS A 23 8.151 -7.605 -5.972 1.00 22.22 C ATOM 353 NZ LYS A 23 7.287 -8.657 -6.564 1.00 21.42 N ATOM 0 H LYS A 23 9.007 -2.640 -7.057 1.00 42.32 H new ATOM 0 HA LYS A 23 10.548 -3.575 -4.826 1.00 32.25 H new ATOM 0 HB2 LYS A 23 9.353 -4.905 -7.297 1.00 44.33 H new ATOM 0 HB3 LYS A 23 10.249 -5.809 -6.092 1.00 44.33 H new ATOM 0 HG2 LYS A 23 8.601 -5.288 -4.371 1.00 3.11 H new ATOM 0 HG3 LYS A 23 7.770 -4.166 -5.431 1.00 3.11 H new ATOM 0 HD2 LYS A 23 6.560 -6.330 -5.276 1.00 64.23 H new ATOM 0 HD3 LYS A 23 7.071 -6.000 -6.919 1.00 64.23 H new ATOM 0 HE2 LYS A 23 9.066 -7.513 -6.557 1.00 22.22 H new ATOM 0 HE3 LYS A 23 8.445 -7.899 -4.965 1.00 22.22 H new ATOM 0 HZ1 LYS A 23 7.870 -9.475 -6.833 1.00 21.42 H new ATOM 0 HZ2 LYS A 23 6.574 -8.954 -5.867 1.00 21.42 H new ATOM 0 HZ3 LYS A 23 6.810 -8.280 -7.408 1.00 21.42 H new ATOM 367 N HIS A 24 12.035 -3.213 -7.717 1.00 51.13 N ATOM 368 CA HIS A 24 13.347 -3.126 -8.368 1.00 4.44 C ATOM 369 C HIS A 24 14.271 -2.176 -7.584 1.00 72.02 C ATOM 370 O HIS A 24 15.415 -2.522 -7.279 1.00 52.02 O ATOM 371 CB HIS A 24 13.177 -2.652 -9.832 1.00 10.32 C ATOM 372 CG HIS A 24 14.461 -2.364 -10.563 1.00 0.43 C ATOM 373 ND1 HIS A 24 14.889 -1.086 -10.852 1.00 30.44 N ATOM 374 CD2 HIS A 24 15.422 -3.192 -11.036 1.00 61.43 C ATOM 375 CE1 HIS A 24 16.038 -1.142 -11.489 1.00 75.40 C ATOM 376 NE2 HIS A 24 16.386 -2.404 -11.611 1.00 70.05 N ATOM 0 H HIS A 24 11.279 -2.792 -8.257 1.00 51.13 H new ATOM 0 HA HIS A 24 13.809 -4.113 -8.376 1.00 4.44 H new ATOM 0 HB2 HIS A 24 12.627 -3.415 -10.383 1.00 10.32 H new ATOM 0 HB3 HIS A 24 12.564 -1.751 -9.837 1.00 10.32 H new ATOM 0 HD1 HIS A 24 14.391 -0.229 -10.609 1.00 30.44 H new ATOM 0 HD2 HIS A 24 15.428 -4.270 -10.972 1.00 61.43 H new ATOM 0 HE1 HIS A 24 16.601 -0.294 -11.851 1.00 75.40 H new ATOM 385 N ASN A 25 13.740 -0.987 -7.252 1.00 0.44 N ATOM 386 CA ASN A 25 14.507 0.096 -6.595 1.00 51.13 C ATOM 387 C ASN A 25 14.693 -0.181 -5.088 1.00 1.20 C ATOM 388 O ASN A 25 15.780 0.003 -4.544 1.00 15.51 O ATOM 389 CB ASN A 25 13.784 1.457 -6.812 1.00 53.15 C ATOM 390 CG ASN A 25 13.620 1.829 -8.287 1.00 15.21 C ATOM 391 OD1 ASN A 25 14.440 1.464 -9.133 1.00 31.24 O ATOM 392 ND2 ASN A 25 12.553 2.553 -8.610 1.00 63.44 N ATOM 0 H ASN A 25 12.765 -0.745 -7.430 1.00 0.44 H new ATOM 0 HA ASN A 25 15.498 0.138 -7.047 1.00 51.13 H new ATOM 0 HB2 ASN A 25 12.801 1.416 -6.344 1.00 53.15 H new ATOM 0 HB3 ASN A 25 14.345 2.243 -6.307 1.00 53.15 H new ATOM 0 HD21 ASN A 25 12.394 2.822 -9.581 1.00 63.44 H new ATOM 0 HD22 ASN A 25 11.893 2.839 -7.887 1.00 63.44 H new ATOM 399 N TYR A 26 13.621 -0.652 -4.439 1.00 41.23 N ATOM 400 CA TYR A 26 13.563 -0.893 -2.972 1.00 4.23 C ATOM 401 C TYR A 26 13.313 -2.384 -2.706 1.00 32.45 C ATOM 402 O TYR A 26 12.926 -3.101 -3.628 1.00 73.34 O ATOM 403 CB TYR A 26 12.425 -0.034 -2.344 1.00 64.44 C ATOM 404 CG TYR A 26 12.569 1.457 -2.640 1.00 45.25 C ATOM 405 CD1 TYR A 26 13.416 2.268 -1.879 1.00 31.42 C ATOM 406 CD2 TYR A 26 11.887 2.046 -3.703 1.00 40.21 C ATOM 407 CE1 TYR A 26 13.574 3.605 -2.173 1.00 13.10 C ATOM 408 CE2 TYR A 26 12.039 3.377 -3.993 1.00 2.43 C ATOM 409 CZ TYR A 26 12.885 4.158 -3.229 1.00 3.13 C ATOM 410 OH TYR A 26 13.065 5.492 -3.535 1.00 50.11 O ATOM 0 H TYR A 26 12.750 -0.884 -4.916 1.00 41.23 H new ATOM 0 HA TYR A 26 14.511 -0.607 -2.517 1.00 4.23 H new ATOM 0 HB2 TYR A 26 11.464 -0.382 -2.722 1.00 64.44 H new ATOM 0 HB3 TYR A 26 12.417 -0.185 -1.265 1.00 64.44 H new ATOM 0 HD1 TYR A 26 13.955 1.840 -1.047 1.00 31.42 H new ATOM 0 HD2 TYR A 26 11.227 1.443 -4.309 1.00 40.21 H new ATOM 0 HE1 TYR A 26 14.236 4.217 -1.577 1.00 13.10 H new ATOM 0 HE2 TYR A 26 11.498 3.815 -4.818 1.00 2.43 H new ATOM 0 HH TYR A 26 13.801 5.584 -4.176 1.00 50.11 H new ATOM 420 N PRO A 27 13.559 -2.892 -1.450 1.00 14.41 N ATOM 421 CA PRO A 27 13.193 -4.276 -1.079 1.00 30.22 C ATOM 422 C PRO A 27 11.704 -4.579 -1.337 1.00 33.14 C ATOM 423 O PRO A 27 10.826 -3.777 -0.977 1.00 15.35 O ATOM 424 CB PRO A 27 13.524 -4.352 0.437 1.00 50.44 C ATOM 425 CG PRO A 27 14.583 -3.307 0.647 1.00 64.20 C ATOM 426 CD PRO A 27 14.250 -2.189 -0.324 1.00 61.42 C ATOM 0 HA PRO A 27 13.733 -5.013 -1.674 1.00 30.22 H new ATOM 0 HB2 PRO A 27 12.642 -4.151 1.046 1.00 50.44 H new ATOM 0 HB3 PRO A 27 13.884 -5.343 0.715 1.00 50.44 H new ATOM 0 HG2 PRO A 27 14.580 -2.947 1.676 1.00 64.20 H new ATOM 0 HG3 PRO A 27 15.577 -3.711 0.454 1.00 64.20 H new ATOM 0 HD2 PRO A 27 13.606 -1.439 0.135 1.00 61.42 H new ATOM 0 HD3 PRO A 27 15.148 -1.674 -0.665 1.00 61.42 H new ATOM 434 N GLY A 28 11.433 -5.765 -1.917 1.00 43.14 N ATOM 435 CA GLY A 28 10.068 -6.217 -2.215 1.00 20.13 C ATOM 436 C GLY A 28 9.277 -6.651 -0.977 1.00 33.11 C ATOM 437 O GLY A 28 8.263 -7.333 -1.099 1.00 53.11 O ATOM 0 H GLY A 28 12.155 -6.432 -2.190 1.00 43.14 H new ATOM 0 HA2 GLY A 28 9.530 -5.412 -2.715 1.00 20.13 H new ATOM 0 HA3 GLY A 28 10.116 -7.051 -2.915 1.00 20.13 H new ATOM 441 N ARG A 29 9.780 -6.287 0.214 1.00 54.44 N ATOM 442 CA ARG A 29 9.093 -6.461 1.496 1.00 75.01 C ATOM 443 C ARG A 29 8.364 -5.160 1.866 1.00 44.12 C ATOM 444 O ARG A 29 7.241 -5.185 2.376 1.00 15.23 O ATOM 445 CB ARG A 29 10.133 -6.831 2.577 1.00 70.32 C ATOM 446 CG ARG A 29 10.979 -8.077 2.230 1.00 64.42 C ATOM 447 CD ARG A 29 12.007 -8.409 3.325 1.00 63.34 C ATOM 448 NE ARG A 29 11.351 -8.625 4.627 1.00 50.42 N ATOM 449 CZ ARG A 29 11.914 -8.448 5.829 1.00 11.14 C ATOM 450 NH1 ARG A 29 13.176 -8.054 5.955 1.00 43.24 N ATOM 451 NH2 ARG A 29 11.181 -8.636 6.915 1.00 23.30 N ATOM 0 H ARG A 29 10.698 -5.853 0.310 1.00 54.44 H new ATOM 0 HA ARG A 29 8.357 -7.262 1.424 1.00 75.01 H new ATOM 0 HB2 ARG A 29 10.800 -5.983 2.732 1.00 70.32 H new ATOM 0 HB3 ARG A 29 9.616 -7.006 3.520 1.00 70.32 H new ATOM 0 HG2 ARG A 29 10.319 -8.932 2.083 1.00 64.42 H new ATOM 0 HG3 ARG A 29 11.498 -7.909 1.286 1.00 64.42 H new ATOM 0 HD2 ARG A 29 12.565 -9.302 3.044 1.00 63.34 H new ATOM 0 HD3 ARG A 29 12.728 -7.596 3.409 1.00 63.34 H new ATOM 0 HE ARG A 29 10.380 -8.938 4.611 1.00 50.42 H new ATOM 0 HH11 ARG A 29 13.741 -7.879 5.124 1.00 43.24 H new ATOM 0 HH12 ARG A 29 13.580 -7.927 6.883 1.00 43.24 H new ATOM 0 HH21 ARG A 29 10.203 -8.912 6.829 1.00 23.30 H new ATOM 0 HH22 ARG A 29 11.594 -8.505 7.838 1.00 23.30 H new ATOM 465 N TYR A 30 9.034 -4.017 1.585 1.00 71.12 N ATOM 466 CA TYR A 30 8.476 -2.663 1.790 1.00 21.44 C ATOM 467 C TYR A 30 7.332 -2.393 0.805 1.00 64.51 C ATOM 468 O TYR A 30 6.435 -1.592 1.080 1.00 42.12 O ATOM 469 CB TYR A 30 9.594 -1.589 1.670 1.00 2.33 C ATOM 470 CG TYR A 30 10.503 -1.534 2.909 1.00 71.23 C ATOM 471 CD1 TYR A 30 11.518 -2.468 3.112 1.00 65.45 C ATOM 472 CD2 TYR A 30 10.303 -0.574 3.903 1.00 20.24 C ATOM 473 CE1 TYR A 30 12.303 -2.435 4.252 1.00 31.15 C ATOM 474 CE2 TYR A 30 11.074 -0.541 5.043 1.00 44.22 C ATOM 475 CZ TYR A 30 12.073 -1.472 5.217 1.00 75.55 C ATOM 476 OH TYR A 30 12.832 -1.453 6.370 1.00 14.13 O ATOM 0 H TYR A 30 9.982 -4.011 1.208 1.00 71.12 H new ATOM 0 HA TYR A 30 8.065 -2.606 2.798 1.00 21.44 H new ATOM 0 HB2 TYR A 30 10.201 -1.799 0.789 1.00 2.33 H new ATOM 0 HB3 TYR A 30 9.137 -0.611 1.516 1.00 2.33 H new ATOM 0 HD1 TYR A 30 11.695 -3.230 2.367 1.00 65.45 H new ATOM 0 HD2 TYR A 30 9.523 0.162 3.774 1.00 20.24 H new ATOM 0 HE1 TYR A 30 13.093 -3.159 4.387 1.00 31.15 H new ATOM 0 HE2 TYR A 30 10.896 0.211 5.797 1.00 44.22 H new ATOM 0 HH TYR A 30 12.703 -0.599 6.833 1.00 14.13 H new ATOM 486 N ILE A 31 7.388 -3.079 -0.345 1.00 24.14 N ATOM 487 CA ILE A 31 6.287 -3.115 -1.311 1.00 75.40 C ATOM 488 C ILE A 31 5.550 -4.447 -1.115 1.00 52.31 C ATOM 489 O ILE A 31 6.146 -5.516 -1.210 1.00 73.03 O ATOM 490 CB ILE A 31 6.779 -2.981 -2.805 1.00 1.35 C ATOM 491 CG1 ILE A 31 7.366 -1.557 -3.100 1.00 34.01 C ATOM 492 CG2 ILE A 31 5.637 -3.313 -3.805 1.00 4.01 C ATOM 493 CD1 ILE A 31 8.695 -1.236 -2.431 1.00 63.43 C ATOM 0 H ILE A 31 8.201 -3.625 -0.630 1.00 24.14 H new ATOM 0 HA ILE A 31 5.632 -2.263 -1.132 1.00 75.40 H new ATOM 0 HB ILE A 31 7.580 -3.707 -2.942 1.00 1.35 H new ATOM 0 HG12 ILE A 31 7.489 -1.452 -4.178 1.00 34.01 H new ATOM 0 HG13 ILE A 31 6.634 -0.812 -2.788 1.00 34.01 H new ATOM 0 HG21 ILE A 31 6.006 -3.212 -4.826 1.00 4.01 H new ATOM 0 HG22 ILE A 31 5.296 -4.335 -3.642 1.00 4.01 H new ATOM 0 HG23 ILE A 31 4.806 -2.625 -3.650 1.00 4.01 H new ATOM 0 HD11 ILE A 31 9.006 -0.228 -2.704 1.00 63.43 H new ATOM 0 HD12 ILE A 31 8.582 -1.300 -1.349 1.00 63.43 H new ATOM 0 HD13 ILE A 31 9.450 -1.950 -2.760 1.00 63.43 H new ATOM 505 N ARG A 32 4.259 -4.346 -0.834 1.00 1.20 N ATOM 506 CA ARG A 32 3.374 -5.464 -0.494 1.00 13.25 C ATOM 507 C ARG A 32 2.081 -5.308 -1.299 1.00 54.00 C ATOM 508 O ARG A 32 1.755 -4.205 -1.726 1.00 31.32 O ATOM 509 CB ARG A 32 3.092 -5.399 1.039 1.00 43.23 C ATOM 510 CG ARG A 32 2.068 -6.416 1.595 1.00 50.32 C ATOM 511 CD ARG A 32 2.531 -7.878 1.502 1.00 44.00 C ATOM 512 NE ARG A 32 1.578 -8.796 2.157 1.00 54.45 N ATOM 513 CZ ARG A 32 1.916 -9.795 2.988 1.00 13.10 C ATOM 514 NH1 ARG A 32 3.188 -10.041 3.283 1.00 52.43 N ATOM 515 NH2 ARG A 32 0.974 -10.533 3.540 1.00 45.10 N ATOM 0 H ARG A 32 3.774 -3.449 -0.835 1.00 1.20 H new ATOM 0 HA ARG A 32 3.822 -6.428 -0.733 1.00 13.25 H new ATOM 0 HB2 ARG A 32 4.035 -5.542 1.566 1.00 43.23 H new ATOM 0 HB3 ARG A 32 2.741 -4.395 1.279 1.00 43.23 H new ATOM 0 HG2 ARG A 32 1.862 -6.176 2.638 1.00 50.32 H new ATOM 0 HG3 ARG A 32 1.130 -6.307 1.051 1.00 50.32 H new ATOM 0 HD2 ARG A 32 2.644 -8.158 0.455 1.00 44.00 H new ATOM 0 HD3 ARG A 32 3.512 -7.979 1.967 1.00 44.00 H new ATOM 0 HE ARG A 32 0.586 -8.661 1.963 1.00 54.45 H new ATOM 0 HH11 ARG A 32 3.926 -9.467 2.876 1.00 52.43 H new ATOM 0 HH12 ARG A 32 3.426 -10.804 3.916 1.00 52.43 H new ATOM 0 HH21 ARG A 32 -0.007 -10.344 3.335 1.00 45.10 H new ATOM 0 HH22 ARG A 32 1.226 -11.293 4.172 1.00 45.10 H new ATOM 529 N THR A 33 1.366 -6.412 -1.539 1.00 74.40 N ATOM 530 CA THR A 33 0.016 -6.371 -2.123 1.00 31.41 C ATOM 531 C THR A 33 -0.995 -6.960 -1.147 1.00 40.41 C ATOM 532 O THR A 33 -0.667 -7.861 -0.371 1.00 55.31 O ATOM 533 CB THR A 33 -0.071 -7.152 -3.474 1.00 2.31 C ATOM 534 OG1 THR A 33 0.334 -8.519 -3.286 1.00 22.43 O ATOM 535 CG2 THR A 33 0.795 -6.511 -4.561 1.00 23.30 C ATOM 0 H THR A 33 1.701 -7.354 -1.337 1.00 74.40 H new ATOM 0 HA THR A 33 -0.211 -5.324 -2.321 1.00 31.41 H new ATOM 0 HB THR A 33 -1.110 -7.115 -3.802 1.00 2.31 H new ATOM 0 HG1 THR A 33 0.274 -8.998 -4.139 1.00 22.43 H new ATOM 0 HG21 THR A 33 0.705 -7.085 -5.483 1.00 23.30 H new ATOM 0 HG22 THR A 33 0.461 -5.488 -4.736 1.00 23.30 H new ATOM 0 HG23 THR A 33 1.836 -6.502 -4.239 1.00 23.30 H new ATOM 543 N ALA A 34 -2.215 -6.429 -1.196 1.00 44.13 N ATOM 544 CA ALA A 34 -3.374 -7.013 -0.536 1.00 54.31 C ATOM 545 C ALA A 34 -4.188 -7.758 -1.592 1.00 33.23 C ATOM 546 O ALA A 34 -4.484 -7.203 -2.659 1.00 52.12 O ATOM 547 CB ALA A 34 -4.226 -5.939 0.138 1.00 45.33 C ATOM 0 H ALA A 34 -2.426 -5.569 -1.703 1.00 44.13 H new ATOM 0 HA ALA A 34 -3.046 -7.698 0.246 1.00 54.31 H new ATOM 0 HB1 ALA A 34 -5.084 -6.406 0.622 1.00 45.33 H new ATOM 0 HB2 ALA A 34 -3.628 -5.416 0.884 1.00 45.33 H new ATOM 0 HB3 ALA A 34 -4.575 -5.228 -0.611 1.00 45.33 H new ATOM 553 N THR A 35 -4.515 -9.012 -1.299 1.00 63.54 N ATOM 554 CA THR A 35 -5.301 -9.876 -2.195 1.00 22.52 C ATOM 555 C THR A 35 -6.519 -10.463 -1.452 1.00 15.30 C ATOM 556 O THR A 35 -7.307 -11.217 -2.040 1.00 15.01 O ATOM 557 CB THR A 35 -4.384 -11.009 -2.775 1.00 41.34 C ATOM 558 OG1 THR A 35 -5.105 -11.819 -3.718 1.00 34.43 O ATOM 559 CG2 THR A 35 -3.783 -11.909 -1.671 1.00 64.24 C ATOM 0 H THR A 35 -4.243 -9.468 -0.428 1.00 63.54 H new ATOM 0 HA THR A 35 -5.680 -9.281 -3.026 1.00 22.52 H new ATOM 0 HB THR A 35 -3.559 -10.508 -3.281 1.00 41.34 H new ATOM 0 HG1 THR A 35 -6.062 -11.791 -3.509 1.00 34.43 H new ATOM 0 HG21 THR A 35 -3.157 -12.676 -2.127 1.00 64.24 H new ATOM 0 HG22 THR A 35 -3.179 -11.303 -0.996 1.00 64.24 H new ATOM 0 HG23 THR A 35 -4.588 -12.384 -1.110 1.00 64.24 H new ATOM 567 N SER A 36 -6.674 -10.071 -0.169 1.00 1.40 N ATOM 568 CA SER A 36 -7.712 -10.595 0.732 1.00 71.24 C ATOM 569 C SER A 36 -7.668 -9.849 2.072 1.00 72.34 C ATOM 570 O SER A 36 -6.623 -9.286 2.447 1.00 12.22 O ATOM 571 CB SER A 36 -7.505 -12.116 0.975 1.00 64.50 C ATOM 572 OG SER A 36 -8.429 -12.641 1.915 1.00 43.41 O ATOM 0 H SER A 36 -6.073 -9.374 0.271 1.00 1.40 H new ATOM 0 HA SER A 36 -8.685 -10.442 0.264 1.00 71.24 H new ATOM 0 HB2 SER A 36 -7.608 -12.650 0.030 1.00 64.50 H new ATOM 0 HB3 SER A 36 -6.489 -12.290 1.331 1.00 64.50 H new ATOM 0 HG SER A 36 -8.264 -13.599 2.036 1.00 43.41 H new ATOM 578 N SER A 37 -8.805 -9.896 2.797 1.00 14.32 N ATOM 579 CA SER A 37 -8.923 -9.381 4.167 1.00 22.53 C ATOM 580 C SER A 37 -7.901 -10.061 5.094 1.00 75.42 C ATOM 581 O SER A 37 -7.287 -9.404 5.933 1.00 10.32 O ATOM 582 CB SER A 37 -10.356 -9.621 4.700 1.00 21.04 C ATOM 583 OG SER A 37 -11.322 -9.101 3.806 1.00 30.40 O ATOM 0 H SER A 37 -9.672 -10.297 2.440 1.00 14.32 H new ATOM 0 HA SER A 37 -8.718 -8.310 4.151 1.00 22.53 H new ATOM 0 HB2 SER A 37 -10.522 -10.689 4.840 1.00 21.04 H new ATOM 0 HB3 SER A 37 -10.468 -9.151 5.677 1.00 21.04 H new ATOM 0 HG SER A 37 -11.880 -8.445 4.273 1.00 30.40 H new ATOM 589 N GLN A 38 -7.714 -11.385 4.889 1.00 12.32 N ATOM 590 CA GLN A 38 -6.824 -12.218 5.716 1.00 52.12 C ATOM 591 C GLN A 38 -5.352 -11.804 5.545 1.00 43.42 C ATOM 592 O GLN A 38 -4.594 -11.774 6.525 1.00 53.40 O ATOM 593 CB GLN A 38 -7.007 -13.724 5.378 1.00 14.51 C ATOM 594 CG GLN A 38 -8.452 -14.254 5.521 1.00 64.10 C ATOM 595 CD GLN A 38 -9.083 -13.946 6.883 1.00 11.22 C ATOM 596 OE1 GLN A 38 -9.742 -12.917 7.055 1.00 71.15 O ATOM 597 NE2 GLN A 38 -8.872 -14.814 7.862 1.00 72.15 N ATOM 0 H GLN A 38 -8.179 -11.902 4.143 1.00 12.32 H new ATOM 0 HA GLN A 38 -7.099 -12.061 6.759 1.00 52.12 H new ATOM 0 HB2 GLN A 38 -6.673 -13.895 4.355 1.00 14.51 H new ATOM 0 HB3 GLN A 38 -6.356 -14.309 6.028 1.00 14.51 H new ATOM 0 HG2 GLN A 38 -9.070 -13.818 4.736 1.00 64.10 H new ATOM 0 HG3 GLN A 38 -8.452 -15.333 5.365 1.00 64.10 H new ATOM 0 HE21 GLN A 38 -8.323 -15.656 7.688 1.00 72.15 H new ATOM 0 HE22 GLN A 38 -9.259 -14.640 8.790 1.00 72.15 H new ATOM 606 N ASP A 39 -4.956 -11.498 4.288 1.00 35.32 N ATOM 607 CA ASP A 39 -3.602 -11.006 3.967 1.00 23.20 C ATOM 608 C ASP A 39 -3.321 -9.696 4.711 1.00 45.22 C ATOM 609 O ASP A 39 -2.275 -9.540 5.345 1.00 33.33 O ATOM 610 CB ASP A 39 -3.450 -10.776 2.436 1.00 22.22 C ATOM 611 CG ASP A 39 -1.986 -10.543 2.039 1.00 63.33 C ATOM 612 OD1 ASP A 39 -1.244 -11.536 1.898 1.00 65.31 O ATOM 613 OD2 ASP A 39 -1.555 -9.380 1.906 1.00 54.44 O ATOM 0 H ASP A 39 -5.564 -11.586 3.474 1.00 35.32 H new ATOM 0 HA ASP A 39 -2.884 -11.762 4.285 1.00 23.20 H new ATOM 0 HB2 ASP A 39 -3.840 -11.640 1.898 1.00 22.22 H new ATOM 0 HB3 ASP A 39 -4.050 -9.917 2.136 1.00 22.22 H new ATOM 618 N ILE A 40 -4.300 -8.777 4.609 1.00 44.54 N ATOM 619 CA ILE A 40 -4.265 -7.455 5.255 1.00 13.34 C ATOM 620 C ILE A 40 -4.053 -7.565 6.773 1.00 51.04 C ATOM 621 O ILE A 40 -3.227 -6.831 7.329 1.00 23.14 O ATOM 622 CB ILE A 40 -5.575 -6.649 4.926 1.00 23.20 C ATOM 623 CG1 ILE A 40 -5.609 -6.325 3.402 1.00 22.01 C ATOM 624 CG2 ILE A 40 -5.703 -5.367 5.782 1.00 44.22 C ATOM 625 CD1 ILE A 40 -6.836 -5.587 2.923 1.00 53.20 C ATOM 0 H ILE A 40 -5.149 -8.936 4.067 1.00 44.54 H new ATOM 0 HA ILE A 40 -3.411 -6.911 4.851 1.00 13.34 H new ATOM 0 HB ILE A 40 -6.435 -7.268 5.180 1.00 23.20 H new ATOM 0 HG12 ILE A 40 -4.729 -5.731 3.155 1.00 22.01 H new ATOM 0 HG13 ILE A 40 -5.529 -7.260 2.847 1.00 22.01 H new ATOM 0 HG21 ILE A 40 -6.623 -4.844 5.519 1.00 44.22 H new ATOM 0 HG22 ILE A 40 -5.727 -5.636 6.838 1.00 44.22 H new ATOM 0 HG23 ILE A 40 -4.849 -4.716 5.593 1.00 44.22 H new ATOM 0 HD11 ILE A 40 -6.759 -5.412 1.850 1.00 53.20 H new ATOM 0 HD12 ILE A 40 -7.724 -6.184 3.130 1.00 53.20 H new ATOM 0 HD13 ILE A 40 -6.912 -4.632 3.442 1.00 53.20 H new ATOM 637 N ARG A 41 -4.772 -8.506 7.420 1.00 22.32 N ATOM 638 CA ARG A 41 -4.645 -8.744 8.876 1.00 25.03 C ATOM 639 C ARG A 41 -3.176 -9.015 9.251 1.00 71.11 C ATOM 640 O ARG A 41 -2.661 -8.443 10.207 1.00 5.31 O ATOM 641 CB ARG A 41 -5.543 -9.926 9.352 1.00 3.23 C ATOM 642 CG ARG A 41 -7.054 -9.743 9.096 1.00 74.24 C ATOM 643 CD ARG A 41 -7.640 -8.498 9.790 1.00 50.54 C ATOM 644 NE ARG A 41 -7.543 -8.566 11.259 1.00 3.14 N ATOM 645 CZ ARG A 41 -8.440 -9.167 12.069 1.00 4.52 C ATOM 646 NH1 ARG A 41 -9.520 -9.768 11.575 1.00 44.50 N ATOM 647 NH2 ARG A 41 -8.247 -9.141 13.376 1.00 4.24 N ATOM 0 H ARG A 41 -5.448 -9.115 6.958 1.00 22.32 H new ATOM 0 HA ARG A 41 -4.986 -7.841 9.383 1.00 25.03 H new ATOM 0 HB2 ARG A 41 -5.213 -10.837 8.852 1.00 3.23 H new ATOM 0 HB3 ARG A 41 -5.386 -10.074 10.421 1.00 3.23 H new ATOM 0 HG2 ARG A 41 -7.228 -9.668 8.023 1.00 74.24 H new ATOM 0 HG3 ARG A 41 -7.585 -10.629 9.444 1.00 74.24 H new ATOM 0 HD2 ARG A 41 -7.116 -7.610 9.436 1.00 50.54 H new ATOM 0 HD3 ARG A 41 -8.686 -8.386 9.504 1.00 50.54 H new ATOM 0 HE ARG A 41 -6.735 -8.124 11.698 1.00 3.14 H new ATOM 0 HH11 ARG A 41 -9.681 -9.780 10.568 1.00 44.50 H new ATOM 0 HH12 ARG A 41 -10.186 -10.217 12.204 1.00 44.50 H new ATOM 0 HH21 ARG A 41 -7.428 -8.671 13.761 1.00 4.24 H new ATOM 0 HH22 ARG A 41 -8.917 -9.591 14.000 1.00 4.24 H new ATOM 661 N ASP A 42 -2.501 -9.843 8.428 1.00 70.21 N ATOM 662 CA ASP A 42 -1.089 -10.215 8.629 1.00 52.24 C ATOM 663 C ASP A 42 -0.152 -9.004 8.404 1.00 52.50 C ATOM 664 O ASP A 42 0.904 -8.901 9.045 1.00 55.21 O ATOM 665 CB ASP A 42 -0.707 -11.396 7.699 1.00 73.10 C ATOM 666 CG ASP A 42 0.687 -11.961 8.010 1.00 71.32 C ATOM 667 OD1 ASP A 42 0.869 -12.532 9.111 1.00 31.05 O ATOM 668 OD2 ASP A 42 1.604 -11.830 7.178 1.00 71.24 O ATOM 0 H ASP A 42 -2.922 -10.272 7.604 1.00 70.21 H new ATOM 0 HA ASP A 42 -0.964 -10.536 9.663 1.00 52.24 H new ATOM 0 HB2 ASP A 42 -1.448 -12.189 7.801 1.00 73.10 H new ATOM 0 HB3 ASP A 42 -0.737 -11.062 6.662 1.00 73.10 H new ATOM 673 N ILE A 43 -0.557 -8.090 7.497 1.00 32.43 N ATOM 674 CA ILE A 43 0.191 -6.847 7.209 1.00 72.02 C ATOM 675 C ILE A 43 0.207 -5.934 8.454 1.00 5.13 C ATOM 676 O ILE A 43 1.268 -5.511 8.926 1.00 51.13 O ATOM 677 CB ILE A 43 -0.451 -6.089 5.976 1.00 22.51 C ATOM 678 CG1 ILE A 43 -0.346 -6.951 4.675 1.00 14.13 C ATOM 679 CG2 ILE A 43 0.169 -4.689 5.767 1.00 12.10 C ATOM 680 CD1 ILE A 43 -1.078 -6.372 3.473 1.00 35.43 C ATOM 0 H ILE A 43 -1.409 -8.192 6.945 1.00 32.43 H new ATOM 0 HA ILE A 43 1.218 -7.109 6.955 1.00 72.02 H new ATOM 0 HB ILE A 43 -1.506 -5.939 6.203 1.00 22.51 H new ATOM 0 HG12 ILE A 43 0.707 -7.073 4.419 1.00 14.13 H new ATOM 0 HG13 ILE A 43 -0.741 -7.946 4.881 1.00 14.13 H new ATOM 0 HG21 ILE A 43 -0.302 -4.207 4.911 1.00 12.10 H new ATOM 0 HG22 ILE A 43 0.008 -4.083 6.659 1.00 12.10 H new ATOM 0 HG23 ILE A 43 1.239 -4.789 5.584 1.00 12.10 H new ATOM 0 HD11 ILE A 43 -0.952 -7.034 2.616 1.00 35.43 H new ATOM 0 HD12 ILE A 43 -2.139 -6.276 3.704 1.00 35.43 H new ATOM 0 HD13 ILE A 43 -0.668 -5.390 3.236 1.00 35.43 H new ATOM 692 N ILE A 44 -0.990 -5.697 8.999 1.00 34.10 N ATOM 693 CA ILE A 44 -1.213 -4.790 10.138 1.00 35.55 C ATOM 694 C ILE A 44 -0.680 -5.404 11.451 1.00 42.05 C ATOM 695 O ILE A 44 -0.268 -4.670 12.356 1.00 12.25 O ATOM 696 CB ILE A 44 -2.743 -4.422 10.212 1.00 71.21 C ATOM 697 CG1 ILE A 44 -3.151 -3.702 8.881 1.00 42.23 C ATOM 698 CG2 ILE A 44 -3.085 -3.550 11.447 1.00 72.51 C ATOM 699 CD1 ILE A 44 -4.614 -3.341 8.772 1.00 61.35 C ATOM 0 H ILE A 44 -1.846 -6.134 8.659 1.00 34.10 H new ATOM 0 HA ILE A 44 -0.651 -3.867 9.991 1.00 35.55 H new ATOM 0 HB ILE A 44 -3.315 -5.342 10.328 1.00 71.21 H new ATOM 0 HG12 ILE A 44 -2.559 -2.792 8.782 1.00 42.23 H new ATOM 0 HG13 ILE A 44 -2.888 -4.346 8.042 1.00 42.23 H new ATOM 0 HG21 ILE A 44 -4.152 -3.325 11.450 1.00 72.51 H new ATOM 0 HG22 ILE A 44 -2.826 -4.091 12.357 1.00 72.51 H new ATOM 0 HG23 ILE A 44 -2.518 -2.620 11.404 1.00 72.51 H new ATOM 0 HD11 ILE A 44 -4.797 -2.848 7.817 1.00 61.35 H new ATOM 0 HD12 ILE A 44 -5.218 -4.246 8.834 1.00 61.35 H new ATOM 0 HD13 ILE A 44 -4.884 -2.668 9.586 1.00 61.35 H new ATOM 711 N LYS A 45 -0.641 -6.756 11.517 1.00 64.33 N ATOM 712 CA LYS A 45 0.025 -7.497 12.614 1.00 73.35 C ATOM 713 C LYS A 45 1.501 -7.072 12.728 1.00 1.35 C ATOM 714 O LYS A 45 1.992 -6.812 13.832 1.00 70.20 O ATOM 715 CB LYS A 45 -0.075 -9.034 12.398 1.00 73.53 C ATOM 716 CG LYS A 45 -1.419 -9.667 12.823 1.00 54.23 C ATOM 717 CD LYS A 45 -1.587 -11.149 12.381 1.00 33.33 C ATOM 718 CE LYS A 45 -0.479 -12.108 12.886 1.00 54.12 C ATOM 719 NZ LYS A 45 0.785 -12.015 12.092 1.00 25.14 N ATOM 0 H LYS A 45 -1.068 -7.361 10.815 1.00 64.33 H new ATOM 0 HA LYS A 45 -0.488 -7.252 13.544 1.00 73.35 H new ATOM 0 HB2 LYS A 45 0.093 -9.249 11.343 1.00 73.53 H new ATOM 0 HB3 LYS A 45 0.729 -9.517 12.954 1.00 73.53 H new ATOM 0 HG2 LYS A 45 -1.509 -9.609 13.908 1.00 54.23 H new ATOM 0 HG3 LYS A 45 -2.235 -9.079 12.404 1.00 54.23 H new ATOM 0 HD2 LYS A 45 -2.552 -11.512 12.736 1.00 33.33 H new ATOM 0 HD3 LYS A 45 -1.613 -11.188 11.292 1.00 33.33 H new ATOM 0 HE2 LYS A 45 -0.262 -11.885 13.931 1.00 54.12 H new ATOM 0 HE3 LYS A 45 -0.849 -13.133 12.849 1.00 54.12 H new ATOM 0 HZ1 LYS A 45 1.135 -12.972 11.883 1.00 25.14 H new ATOM 0 HZ2 LYS A 45 0.599 -11.512 11.201 1.00 25.14 H new ATOM 0 HZ3 LYS A 45 1.501 -11.497 12.639 1.00 25.14 H new ATOM 733 N SER A 46 2.177 -6.982 11.567 1.00 3.41 N ATOM 734 CA SER A 46 3.576 -6.555 11.483 1.00 4.33 C ATOM 735 C SER A 46 3.699 -5.082 11.876 1.00 71.10 C ATOM 736 O SER A 46 4.430 -4.746 12.810 1.00 53.03 O ATOM 737 CB SER A 46 4.124 -6.786 10.051 1.00 75.34 C ATOM 738 OG SER A 46 5.505 -6.472 9.970 1.00 61.10 O ATOM 0 H SER A 46 1.762 -7.205 10.662 1.00 3.41 H new ATOM 0 HA SER A 46 4.169 -7.150 12.177 1.00 4.33 H new ATOM 0 HB2 SER A 46 3.968 -7.826 9.763 1.00 75.34 H new ATOM 0 HB3 SER A 46 3.567 -6.172 9.343 1.00 75.34 H new ATOM 0 HG SER A 46 5.823 -6.629 9.056 1.00 61.10 H new ATOM 744 N MET A 47 2.873 -4.238 11.230 1.00 71.22 N ATOM 745 CA MET A 47 3.060 -2.771 11.202 1.00 75.12 C ATOM 746 C MET A 47 2.851 -2.079 12.563 1.00 70.03 C ATOM 747 O MET A 47 3.164 -0.887 12.694 1.00 3.21 O ATOM 748 CB MET A 47 2.140 -2.141 10.132 1.00 52.44 C ATOM 749 CG MET A 47 2.491 -2.540 8.694 1.00 73.14 C ATOM 750 SD MET A 47 4.210 -2.173 8.270 1.00 21.34 S ATOM 751 CE MET A 47 4.306 -0.410 8.599 1.00 51.11 C ATOM 0 H MET A 47 2.054 -4.553 10.710 1.00 71.22 H new ATOM 0 HA MET A 47 4.107 -2.606 10.946 1.00 75.12 H new ATOM 0 HB2 MET A 47 1.110 -2.431 10.337 1.00 52.44 H new ATOM 0 HB3 MET A 47 2.189 -1.056 10.219 1.00 52.44 H new ATOM 0 HG2 MET A 47 2.308 -3.606 8.562 1.00 73.14 H new ATOM 0 HG3 MET A 47 1.830 -2.015 8.004 1.00 73.14 H new ATOM 0 HE1 MET A 47 4.930 0.068 7.844 1.00 51.11 H new ATOM 0 HE2 MET A 47 3.305 0.021 8.568 1.00 51.11 H new ATOM 0 HE3 MET A 47 4.741 -0.247 9.585 1.00 51.11 H new ATOM 761 N LYS A 48 2.302 -2.809 13.560 1.00 61.34 N ATOM 762 CA LYS A 48 2.133 -2.274 14.924 1.00 73.34 C ATOM 763 C LYS A 48 3.501 -1.978 15.560 1.00 62.32 C ATOM 764 O LYS A 48 3.718 -0.894 16.096 1.00 74.54 O ATOM 765 CB LYS A 48 1.350 -3.248 15.832 1.00 43.04 C ATOM 766 CG LYS A 48 -0.067 -3.593 15.345 1.00 42.13 C ATOM 767 CD LYS A 48 -0.903 -4.315 16.423 1.00 1.24 C ATOM 768 CE LYS A 48 -0.258 -5.612 16.933 1.00 64.44 C ATOM 769 NZ LYS A 48 -0.046 -6.596 15.849 1.00 13.43 N ATOM 0 H LYS A 48 1.970 -3.767 13.443 1.00 61.34 H new ATOM 0 HA LYS A 48 1.560 -1.351 14.836 1.00 73.34 H new ATOM 0 HB2 LYS A 48 1.921 -4.172 15.926 1.00 43.04 H new ATOM 0 HB3 LYS A 48 1.280 -2.814 16.829 1.00 43.04 H new ATOM 0 HG2 LYS A 48 -0.578 -2.678 15.046 1.00 42.13 H new ATOM 0 HG3 LYS A 48 0.000 -4.224 14.459 1.00 42.13 H new ATOM 0 HD2 LYS A 48 -1.057 -3.640 17.265 1.00 1.24 H new ATOM 0 HD3 LYS A 48 -1.887 -4.544 16.015 1.00 1.24 H new ATOM 0 HE2 LYS A 48 0.698 -5.380 17.402 1.00 64.44 H new ATOM 0 HE3 LYS A 48 -0.892 -6.053 17.702 1.00 64.44 H new ATOM 0 HZ1 LYS A 48 0.328 -7.479 16.250 1.00 13.43 H new ATOM 0 HZ2 LYS A 48 -0.950 -6.788 15.373 1.00 13.43 H new ATOM 0 HZ3 LYS A 48 0.634 -6.213 15.161 1.00 13.43 H new ATOM 783 N ASP A 49 4.408 -2.966 15.493 1.00 62.42 N ATOM 784 CA ASP A 49 5.767 -2.865 16.080 1.00 4.22 C ATOM 785 C ASP A 49 6.790 -2.464 15.012 1.00 61.51 C ATOM 786 O ASP A 49 7.794 -1.810 15.313 1.00 21.20 O ATOM 787 CB ASP A 49 6.178 -4.209 16.732 1.00 60.13 C ATOM 788 CG ASP A 49 5.170 -4.697 17.789 1.00 64.12 C ATOM 789 OD1 ASP A 49 5.001 -4.013 18.819 1.00 42.33 O ATOM 790 OD2 ASP A 49 4.550 -5.764 17.601 1.00 1.22 O ATOM 0 H ASP A 49 4.227 -3.858 15.033 1.00 62.42 H new ATOM 0 HA ASP A 49 5.748 -2.093 16.849 1.00 4.22 H new ATOM 0 HB2 ASP A 49 6.278 -4.968 15.956 1.00 60.13 H new ATOM 0 HB3 ASP A 49 7.158 -4.097 17.196 1.00 60.13 H new ATOM 795 N ASN A 50 6.522 -2.885 13.767 1.00 53.15 N ATOM 796 CA ASN A 50 7.347 -2.564 12.590 1.00 4.45 C ATOM 797 C ASN A 50 7.196 -1.065 12.260 1.00 32.12 C ATOM 798 O ASN A 50 6.236 -0.649 11.601 1.00 13.11 O ATOM 799 CB ASN A 50 6.910 -3.475 11.409 1.00 22.42 C ATOM 800 CG ASN A 50 7.580 -3.200 10.067 1.00 1.22 C ATOM 801 OD1 ASN A 50 8.706 -2.713 9.990 1.00 1.25 O ATOM 802 ND2 ASN A 50 6.882 -3.539 8.992 1.00 53.13 N ATOM 0 H ASN A 50 5.714 -3.467 13.545 1.00 53.15 H new ATOM 0 HA ASN A 50 8.402 -2.753 12.786 1.00 4.45 H new ATOM 0 HB2 ASN A 50 7.106 -4.511 11.684 1.00 22.42 H new ATOM 0 HB3 ASN A 50 5.832 -3.377 11.281 1.00 22.42 H new ATOM 0 HD21 ASN A 50 7.277 -3.398 8.062 1.00 53.13 H new ATOM 0 HD22 ASN A 50 5.950 -3.941 9.095 1.00 53.13 H new ATOM 809 N GLY A 51 8.140 -0.261 12.782 1.00 20.22 N ATOM 810 CA GLY A 51 8.092 1.199 12.676 1.00 53.22 C ATOM 811 C GLY A 51 8.865 1.742 11.483 1.00 63.34 C ATOM 812 O GLY A 51 9.605 2.720 11.615 1.00 33.21 O ATOM 0 H GLY A 51 8.954 -0.610 13.288 1.00 20.22 H new ATOM 0 HA2 GLY A 51 7.052 1.517 12.601 1.00 53.22 H new ATOM 0 HA3 GLY A 51 8.494 1.636 13.590 1.00 53.22 H new ATOM 816 N LYS A 52 8.699 1.099 10.313 1.00 1.14 N ATOM 817 CA LYS A 52 9.278 1.560 9.033 1.00 52.44 C ATOM 818 C LYS A 52 8.146 1.732 7.997 1.00 33.22 C ATOM 819 O LYS A 52 7.114 1.065 8.120 1.00 60.10 O ATOM 820 CB LYS A 52 10.370 0.576 8.503 1.00 63.01 C ATOM 821 CG LYS A 52 11.626 0.421 9.419 1.00 23.01 C ATOM 822 CD LYS A 52 11.537 -0.775 10.409 1.00 22.25 C ATOM 823 CE LYS A 52 11.970 -2.122 9.784 1.00 60.21 C ATOM 824 NZ LYS A 52 11.192 -2.496 8.566 1.00 23.45 N ATOM 0 H LYS A 52 8.157 0.240 10.226 1.00 1.14 H new ATOM 0 HA LYS A 52 9.770 2.518 9.200 1.00 52.44 H new ATOM 0 HB2 LYS A 52 9.916 -0.406 8.366 1.00 63.01 H new ATOM 0 HB3 LYS A 52 10.696 0.916 7.520 1.00 63.01 H new ATOM 0 HG2 LYS A 52 12.509 0.296 8.792 1.00 23.01 H new ATOM 0 HG3 LYS A 52 11.766 1.341 9.987 1.00 23.01 H new ATOM 0 HD2 LYS A 52 12.164 -0.567 11.276 1.00 22.25 H new ATOM 0 HD3 LYS A 52 10.512 -0.863 10.770 1.00 22.25 H new ATOM 0 HE2 LYS A 52 13.028 -2.070 9.527 1.00 60.21 H new ATOM 0 HE3 LYS A 52 11.862 -2.910 10.530 1.00 60.21 H new ATOM 0 HZ1 LYS A 52 11.388 -3.487 8.320 1.00 23.45 H new ATOM 0 HZ2 LYS A 52 10.176 -2.380 8.754 1.00 23.45 H new ATOM 0 HZ3 LYS A 52 11.470 -1.881 7.774 1.00 23.45 H new ATOM 838 N PRO A 53 8.311 2.625 6.961 1.00 41.25 N ATOM 839 CA PRO A 53 7.235 2.913 5.985 1.00 23.11 C ATOM 840 C PRO A 53 6.937 1.709 5.072 1.00 31.35 C ATOM 841 O PRO A 53 7.852 1.093 4.542 1.00 64.11 O ATOM 842 CB PRO A 53 7.800 4.110 5.177 1.00 32.24 C ATOM 843 CG PRO A 53 9.289 3.967 5.268 1.00 73.25 C ATOM 844 CD PRO A 53 9.551 3.403 6.650 1.00 2.41 C ATOM 0 HA PRO A 53 6.282 3.130 6.468 1.00 23.11 H new ATOM 0 HB2 PRO A 53 7.463 4.082 4.141 1.00 32.24 H new ATOM 0 HB3 PRO A 53 7.468 5.061 5.594 1.00 32.24 H new ATOM 0 HG2 PRO A 53 9.669 3.301 4.493 1.00 73.25 H new ATOM 0 HG3 PRO A 53 9.786 4.928 5.134 1.00 73.25 H new ATOM 0 HD2 PRO A 53 10.436 2.766 6.661 1.00 2.41 H new ATOM 0 HD3 PRO A 53 9.719 4.195 7.380 1.00 2.41 H new ATOM 852 N LEU A 54 5.657 1.372 4.914 1.00 13.24 N ATOM 853 CA LEU A 54 5.229 0.265 4.044 1.00 5.12 C ATOM 854 C LEU A 54 4.416 0.830 2.871 1.00 32.32 C ATOM 855 O LEU A 54 4.028 1.992 2.896 1.00 74.54 O ATOM 856 CB LEU A 54 4.392 -0.756 4.863 1.00 73.55 C ATOM 857 CG LEU A 54 4.306 -2.192 4.264 1.00 11.31 C ATOM 858 CD1 LEU A 54 5.685 -2.874 4.298 1.00 11.11 C ATOM 859 CD2 LEU A 54 3.240 -3.039 4.973 1.00 53.23 C ATOM 0 H LEU A 54 4.888 1.853 5.381 1.00 13.24 H new ATOM 0 HA LEU A 54 6.101 -0.254 3.647 1.00 5.12 H new ATOM 0 HB2 LEU A 54 4.815 -0.825 5.865 1.00 73.55 H new ATOM 0 HB3 LEU A 54 3.380 -0.366 4.971 1.00 73.55 H new ATOM 0 HG LEU A 54 3.998 -2.104 3.222 1.00 11.31 H new ATOM 0 HD11 LEU A 54 5.606 -3.876 3.876 1.00 11.11 H new ATOM 0 HD12 LEU A 54 6.395 -2.289 3.713 1.00 11.11 H new ATOM 0 HD13 LEU A 54 6.032 -2.941 5.329 1.00 11.11 H new ATOM 0 HD21 LEU A 54 3.210 -4.033 4.527 1.00 53.23 H new ATOM 0 HD22 LEU A 54 3.487 -3.123 6.031 1.00 53.23 H new ATOM 0 HD23 LEU A 54 2.265 -2.563 4.864 1.00 53.23 H new ATOM 871 N VAL A 55 4.139 -0.003 1.856 1.00 71.24 N ATOM 872 CA VAL A 55 3.346 0.377 0.674 1.00 65.23 C ATOM 873 C VAL A 55 2.512 -0.844 0.269 1.00 52.53 C ATOM 874 O VAL A 55 3.066 -1.834 -0.190 1.00 33.52 O ATOM 875 CB VAL A 55 4.229 0.843 -0.556 1.00 23.43 C ATOM 876 CG1 VAL A 55 3.335 1.230 -1.755 1.00 44.33 C ATOM 877 CG2 VAL A 55 5.172 2.014 -0.191 1.00 10.23 C ATOM 0 H VAL A 55 4.462 -0.970 1.832 1.00 71.24 H new ATOM 0 HA VAL A 55 2.725 1.232 0.942 1.00 65.23 H new ATOM 0 HB VAL A 55 4.855 -0.004 -0.837 1.00 23.43 H new ATOM 0 HG11 VAL A 55 3.962 1.547 -2.589 1.00 44.33 H new ATOM 0 HG12 VAL A 55 2.738 0.369 -2.056 1.00 44.33 H new ATOM 0 HG13 VAL A 55 2.674 2.047 -1.467 1.00 44.33 H new ATOM 0 HG21 VAL A 55 5.756 2.297 -1.067 1.00 10.23 H new ATOM 0 HG22 VAL A 55 4.581 2.867 0.142 1.00 10.23 H new ATOM 0 HG23 VAL A 55 5.844 1.704 0.609 1.00 10.23 H new ATOM 887 N VAL A 56 1.187 -0.786 0.479 1.00 71.10 N ATOM 888 CA VAL A 56 0.266 -1.881 0.126 1.00 11.44 C ATOM 889 C VAL A 56 -0.544 -1.504 -1.131 1.00 14.32 C ATOM 890 O VAL A 56 -1.347 -0.569 -1.105 1.00 73.04 O ATOM 891 CB VAL A 56 -0.700 -2.245 1.319 1.00 42.14 C ATOM 892 CG1 VAL A 56 -1.750 -3.305 0.902 1.00 21.23 C ATOM 893 CG2 VAL A 56 0.106 -2.737 2.546 1.00 22.13 C ATOM 0 H VAL A 56 0.723 0.020 0.898 1.00 71.10 H new ATOM 0 HA VAL A 56 0.866 -2.766 -0.085 1.00 11.44 H new ATOM 0 HB VAL A 56 -1.236 -1.336 1.593 1.00 42.14 H new ATOM 0 HG11 VAL A 56 -2.397 -3.530 1.750 1.00 21.23 H new ATOM 0 HG12 VAL A 56 -2.351 -2.918 0.080 1.00 21.23 H new ATOM 0 HG13 VAL A 56 -1.242 -4.215 0.582 1.00 21.23 H new ATOM 0 HG21 VAL A 56 -0.580 -2.983 3.357 1.00 22.13 H new ATOM 0 HG22 VAL A 56 0.678 -3.624 2.274 1.00 22.13 H new ATOM 0 HG23 VAL A 56 0.788 -1.951 2.872 1.00 22.13 H new ATOM 903 N PHE A 57 -0.308 -2.250 -2.218 1.00 63.44 N ATOM 904 CA PHE A 57 -1.047 -2.134 -3.475 1.00 24.32 C ATOM 905 C PHE A 57 -2.298 -3.012 -3.387 1.00 53.32 C ATOM 906 O PHE A 57 -2.188 -4.223 -3.161 1.00 24.32 O ATOM 907 CB PHE A 57 -0.169 -2.600 -4.669 1.00 64.10 C ATOM 908 CG PHE A 57 0.997 -1.674 -5.015 1.00 73.42 C ATOM 909 CD1 PHE A 57 2.188 -1.706 -4.290 1.00 1.01 C ATOM 910 CD2 PHE A 57 0.896 -0.765 -6.069 1.00 54.23 C ATOM 911 CE1 PHE A 57 3.232 -0.858 -4.610 1.00 60.44 C ATOM 912 CE2 PHE A 57 1.939 0.079 -6.382 1.00 65.03 C ATOM 913 CZ PHE A 57 3.109 0.032 -5.652 1.00 22.20 C ATOM 0 H PHE A 57 0.418 -2.966 -2.245 1.00 63.44 H new ATOM 0 HA PHE A 57 -1.324 -1.092 -3.637 1.00 24.32 H new ATOM 0 HB2 PHE A 57 0.228 -3.590 -4.444 1.00 64.10 H new ATOM 0 HB3 PHE A 57 -0.804 -2.704 -5.549 1.00 64.10 H new ATOM 0 HD1 PHE A 57 2.296 -2.401 -3.470 1.00 1.01 H new ATOM 0 HD2 PHE A 57 -0.014 -0.722 -6.649 1.00 54.23 H new ATOM 0 HE1 PHE A 57 4.148 -0.894 -4.039 1.00 60.44 H new ATOM 0 HE2 PHE A 57 1.841 0.778 -7.199 1.00 65.03 H new ATOM 0 HZ PHE A 57 3.927 0.693 -5.898 1.00 22.20 H new ATOM 923 N VAL A 58 -3.476 -2.406 -3.561 1.00 34.03 N ATOM 924 CA VAL A 58 -4.747 -3.140 -3.607 1.00 40.31 C ATOM 925 C VAL A 58 -4.839 -3.846 -4.970 1.00 31.50 C ATOM 926 O VAL A 58 -5.357 -3.288 -5.938 1.00 22.14 O ATOM 927 CB VAL A 58 -5.982 -2.182 -3.384 1.00 3.10 C ATOM 928 CG1 VAL A 58 -7.326 -2.959 -3.428 1.00 15.31 C ATOM 929 CG2 VAL A 58 -5.833 -1.394 -2.060 1.00 22.45 C ATOM 0 H VAL A 58 -3.577 -1.397 -3.674 1.00 34.03 H new ATOM 0 HA VAL A 58 -4.774 -3.872 -2.800 1.00 40.31 H new ATOM 0 HB VAL A 58 -5.998 -1.466 -4.205 1.00 3.10 H new ATOM 0 HG11 VAL A 58 -8.152 -2.266 -3.271 1.00 15.31 H new ATOM 0 HG12 VAL A 58 -7.436 -3.440 -4.400 1.00 15.31 H new ATOM 0 HG13 VAL A 58 -7.334 -3.717 -2.645 1.00 15.31 H new ATOM 0 HG21 VAL A 58 -6.695 -0.740 -1.927 1.00 22.45 H new ATOM 0 HG22 VAL A 58 -5.775 -2.093 -1.225 1.00 22.45 H new ATOM 0 HG23 VAL A 58 -4.924 -0.793 -2.094 1.00 22.45 H new ATOM 939 N ASN A 59 -4.255 -5.045 -5.055 1.00 2.24 N ATOM 940 CA ASN A 59 -4.172 -5.815 -6.303 1.00 54.22 C ATOM 941 C ASN A 59 -5.135 -7.009 -6.247 1.00 71.13 C ATOM 942 O ASN A 59 -4.864 -7.994 -5.550 1.00 50.05 O ATOM 943 CB ASN A 59 -2.713 -6.298 -6.512 1.00 0.52 C ATOM 944 CG ASN A 59 -2.524 -7.109 -7.797 1.00 44.24 C ATOM 945 OD1 ASN A 59 -3.177 -6.861 -8.807 1.00 22.15 O ATOM 946 ND2 ASN A 59 -1.634 -8.086 -7.767 1.00 14.43 N ATOM 0 H ASN A 59 -3.824 -5.512 -4.257 1.00 2.24 H new ATOM 0 HA ASN A 59 -4.459 -5.183 -7.143 1.00 54.22 H new ATOM 0 HB2 ASN A 59 -2.051 -5.433 -6.535 1.00 0.52 H new ATOM 0 HB3 ASN A 59 -2.413 -6.906 -5.659 1.00 0.52 H new ATOM 0 HD21 ASN A 59 -1.475 -8.657 -8.597 1.00 14.43 H new ATOM 0 HD22 ASN A 59 -1.106 -8.269 -6.914 1.00 14.43 H new ATOM 953 N GLY A 60 -6.283 -6.890 -6.942 1.00 14.34 N ATOM 954 CA GLY A 60 -7.285 -7.963 -7.004 1.00 20.14 C ATOM 955 C GLY A 60 -8.263 -7.944 -5.832 1.00 31.02 C ATOM 956 O GLY A 60 -9.366 -8.492 -5.937 1.00 61.24 O ATOM 0 H GLY A 60 -6.537 -6.055 -7.470 1.00 14.34 H new ATOM 0 HA2 GLY A 60 -7.844 -7.876 -7.936 1.00 20.14 H new ATOM 0 HA3 GLY A 60 -6.775 -8.926 -7.027 1.00 20.14 H new ATOM 960 N ALA A 61 -7.847 -7.321 -4.711 1.00 70.32 N ATOM 961 CA ALA A 61 -8.686 -7.128 -3.523 1.00 65.15 C ATOM 962 C ALA A 61 -9.781 -6.073 -3.802 1.00 72.42 C ATOM 963 O ALA A 61 -9.721 -5.357 -4.808 1.00 10.11 O ATOM 964 CB ALA A 61 -7.794 -6.725 -2.344 1.00 15.50 C ATOM 0 H ALA A 61 -6.908 -6.936 -4.609 1.00 70.32 H new ATOM 0 HA ALA A 61 -9.195 -8.058 -3.271 1.00 65.15 H new ATOM 0 HB1 ALA A 61 -8.409 -6.579 -1.456 1.00 15.50 H new ATOM 0 HB2 ALA A 61 -7.064 -7.512 -2.155 1.00 15.50 H new ATOM 0 HB3 ALA A 61 -7.274 -5.797 -2.582 1.00 15.50 H new ATOM 970 N SER A 62 -10.758 -5.980 -2.902 1.00 72.12 N ATOM 971 CA SER A 62 -11.985 -5.183 -3.092 1.00 3.23 C ATOM 972 C SER A 62 -12.127 -4.113 -1.998 1.00 44.40 C ATOM 973 O SER A 62 -11.437 -4.159 -0.980 1.00 55.31 O ATOM 974 CB SER A 62 -13.196 -6.140 -3.087 1.00 25.11 C ATOM 975 OG SER A 62 -13.031 -7.169 -4.047 1.00 30.11 O ATOM 0 H SER A 62 -10.726 -6.461 -2.003 1.00 72.12 H new ATOM 0 HA SER A 62 -11.934 -4.658 -4.046 1.00 3.23 H new ATOM 0 HB2 SER A 62 -13.315 -6.578 -2.096 1.00 25.11 H new ATOM 0 HB3 SER A 62 -14.107 -5.581 -3.300 1.00 25.11 H new ATOM 0 HG SER A 62 -13.809 -7.764 -4.025 1.00 30.11 H new ATOM 981 N GLN A 63 -13.063 -3.171 -2.214 1.00 1.12 N ATOM 982 CA GLN A 63 -13.240 -1.988 -1.351 1.00 70.43 C ATOM 983 C GLN A 63 -13.609 -2.368 0.099 1.00 23.04 C ATOM 984 O GLN A 63 -13.285 -1.630 1.033 1.00 73.11 O ATOM 985 CB GLN A 63 -14.294 -1.018 -1.961 1.00 70.44 C ATOM 986 CG GLN A 63 -14.409 0.344 -1.228 1.00 23.22 C ATOM 987 CD GLN A 63 -13.094 1.142 -1.154 1.00 10.21 C ATOM 988 OE1 GLN A 63 -12.846 1.851 -0.178 1.00 45.15 O ATOM 989 NE2 GLN A 63 -12.261 1.075 -2.193 1.00 42.51 N ATOM 0 H GLN A 63 -13.720 -3.209 -2.994 1.00 1.12 H new ATOM 0 HA GLN A 63 -12.279 -1.475 -1.306 1.00 70.43 H new ATOM 0 HB2 GLN A 63 -14.040 -0.835 -3.005 1.00 70.44 H new ATOM 0 HB3 GLN A 63 -15.269 -1.506 -1.951 1.00 70.44 H new ATOM 0 HG2 GLN A 63 -15.160 0.952 -1.733 1.00 23.22 H new ATOM 0 HG3 GLN A 63 -14.770 0.168 -0.215 1.00 23.22 H new ATOM 0 HE21 GLN A 63 -12.487 0.481 -2.991 1.00 42.51 H new ATOM 0 HE22 GLN A 63 -11.398 1.618 -2.190 1.00 42.51 H new ATOM 998 N ASN A 64 -14.259 -3.536 0.278 1.00 33.22 N ATOM 999 CA ASN A 64 -14.651 -4.037 1.613 1.00 52.32 C ATOM 1000 C ASN A 64 -13.412 -4.248 2.505 1.00 74.21 C ATOM 1001 O ASN A 64 -13.395 -3.805 3.655 1.00 54.41 O ATOM 1002 CB ASN A 64 -15.491 -5.340 1.507 1.00 63.40 C ATOM 1003 CG ASN A 64 -14.753 -6.506 0.845 1.00 24.10 C ATOM 1004 OD1 ASN A 64 -14.799 -6.667 -0.371 1.00 73.02 O ATOM 1005 ND2 ASN A 64 -14.058 -7.318 1.636 1.00 72.24 N ATOM 0 H ASN A 64 -14.525 -4.153 -0.489 1.00 33.22 H new ATOM 0 HA ASN A 64 -15.280 -3.279 2.080 1.00 52.32 H new ATOM 0 HB2 ASN A 64 -15.802 -5.642 2.507 1.00 63.40 H new ATOM 0 HB3 ASN A 64 -16.398 -5.130 0.941 1.00 63.40 H new ATOM 0 HD21 ASN A 64 -13.543 -8.102 1.236 1.00 72.24 H new ATOM 0 HD22 ASN A 64 -14.040 -7.157 2.643 1.00 72.24 H new ATOM 1012 N ASP A 65 -12.351 -4.856 1.926 1.00 53.44 N ATOM 1013 CA ASP A 65 -11.117 -5.176 2.669 1.00 70.23 C ATOM 1014 C ASP A 65 -10.194 -3.953 2.733 1.00 34.13 C ATOM 1015 O ASP A 65 -9.381 -3.847 3.644 1.00 23.42 O ATOM 1016 CB ASP A 65 -10.385 -6.429 2.109 1.00 15.30 C ATOM 1017 CG ASP A 65 -10.033 -6.366 0.626 1.00 65.55 C ATOM 1018 OD1 ASP A 65 -9.199 -5.520 0.236 1.00 64.13 O ATOM 1019 OD2 ASP A 65 -10.594 -7.168 -0.160 1.00 54.10 O ATOM 0 H ASP A 65 -12.328 -5.134 0.945 1.00 53.44 H new ATOM 0 HA ASP A 65 -11.409 -5.435 3.687 1.00 70.23 H new ATOM 0 HB2 ASP A 65 -9.467 -6.579 2.678 1.00 15.30 H new ATOM 0 HB3 ASP A 65 -11.012 -7.304 2.280 1.00 15.30 H new ATOM 1024 N VAL A 66 -10.328 -3.039 1.750 1.00 41.51 N ATOM 1025 CA VAL A 66 -9.656 -1.722 1.767 1.00 14.40 C ATOM 1026 C VAL A 66 -10.073 -0.919 3.017 1.00 74.11 C ATOM 1027 O VAL A 66 -9.224 -0.355 3.722 1.00 41.02 O ATOM 1028 CB VAL A 66 -9.994 -0.903 0.464 1.00 21.53 C ATOM 1029 CG1 VAL A 66 -9.490 0.554 0.541 1.00 63.15 C ATOM 1030 CG2 VAL A 66 -9.425 -1.613 -0.782 1.00 73.20 C ATOM 0 H VAL A 66 -10.904 -3.192 0.923 1.00 41.51 H new ATOM 0 HA VAL A 66 -8.580 -1.893 1.800 1.00 14.40 H new ATOM 0 HB VAL A 66 -11.080 -0.860 0.381 1.00 21.53 H new ATOM 0 HG11 VAL A 66 -9.747 1.077 -0.380 1.00 63.15 H new ATOM 0 HG12 VAL A 66 -9.959 1.057 1.387 1.00 63.15 H new ATOM 0 HG13 VAL A 66 -8.408 0.558 0.671 1.00 63.15 H new ATOM 0 HG21 VAL A 66 -9.667 -1.034 -1.673 1.00 73.20 H new ATOM 0 HG22 VAL A 66 -8.342 -1.700 -0.689 1.00 73.20 H new ATOM 0 HG23 VAL A 66 -9.863 -2.608 -0.865 1.00 73.20 H new ATOM 1040 N ASN A 67 -11.391 -0.877 3.273 1.00 15.23 N ATOM 1041 CA ASN A 67 -11.940 -0.226 4.476 1.00 45.05 C ATOM 1042 C ASN A 67 -11.590 -1.031 5.741 1.00 32.31 C ATOM 1043 O ASN A 67 -11.411 -0.440 6.801 1.00 12.00 O ATOM 1044 CB ASN A 67 -13.469 0.008 4.375 1.00 53.31 C ATOM 1045 CG ASN A 67 -13.842 1.076 3.343 1.00 11.25 C ATOM 1046 OD1 ASN A 67 -13.719 2.274 3.602 1.00 12.31 O ATOM 1047 ND2 ASN A 67 -14.341 0.664 2.193 1.00 22.04 N ATOM 0 H ASN A 67 -12.098 -1.287 2.662 1.00 15.23 H new ATOM 0 HA ASN A 67 -11.473 0.756 4.548 1.00 45.05 H new ATOM 0 HB2 ASN A 67 -13.958 -0.930 4.113 1.00 53.31 H new ATOM 0 HB3 ASN A 67 -13.851 0.305 5.352 1.00 53.31 H new ATOM 0 HD21 ASN A 67 -14.636 1.344 1.492 1.00 22.04 H new ATOM 0 HD22 ASN A 67 -14.432 -0.334 2.005 1.00 22.04 H new ATOM 1054 N GLU A 68 -11.482 -2.380 5.613 1.00 61.45 N ATOM 1055 CA GLU A 68 -11.013 -3.260 6.717 1.00 11.35 C ATOM 1056 C GLU A 68 -9.546 -2.966 7.067 1.00 75.33 C ATOM 1057 O GLU A 68 -9.160 -3.087 8.224 1.00 14.55 O ATOM 1058 CB GLU A 68 -11.188 -4.771 6.377 1.00 5.24 C ATOM 1059 CG GLU A 68 -12.648 -5.254 6.380 1.00 2.11 C ATOM 1060 CD GLU A 68 -12.794 -6.712 5.917 1.00 20.05 C ATOM 1061 OE1 GLU A 68 -12.520 -7.636 6.718 1.00 62.21 O ATOM 1062 OE2 GLU A 68 -13.181 -6.943 4.749 1.00 70.21 O ATOM 0 H GLU A 68 -11.714 -2.882 4.756 1.00 61.45 H new ATOM 0 HA GLU A 68 -11.637 -3.039 7.583 1.00 11.35 H new ATOM 0 HB2 GLU A 68 -10.756 -4.963 5.395 1.00 5.24 H new ATOM 0 HB3 GLU A 68 -10.620 -5.362 7.096 1.00 5.24 H new ATOM 0 HG2 GLU A 68 -13.057 -5.154 7.386 1.00 2.11 H new ATOM 0 HG3 GLU A 68 -13.240 -4.610 5.730 1.00 2.11 H new ATOM 1069 N PHE A 69 -8.745 -2.576 6.053 1.00 45.14 N ATOM 1070 CA PHE A 69 -7.351 -2.149 6.247 1.00 2.42 C ATOM 1071 C PHE A 69 -7.330 -0.896 7.116 1.00 34.21 C ATOM 1072 O PHE A 69 -6.648 -0.854 8.128 1.00 61.22 O ATOM 1073 CB PHE A 69 -6.643 -1.882 4.881 1.00 1.13 C ATOM 1074 CG PHE A 69 -5.267 -1.211 4.996 1.00 15.25 C ATOM 1075 CD1 PHE A 69 -4.127 -1.953 5.307 1.00 33.30 C ATOM 1076 CD2 PHE A 69 -5.120 0.170 4.806 1.00 34.32 C ATOM 1077 CE1 PHE A 69 -2.892 -1.341 5.424 1.00 13.22 C ATOM 1078 CE2 PHE A 69 -3.888 0.775 4.922 1.00 54.20 C ATOM 1079 CZ PHE A 69 -2.776 0.022 5.230 1.00 2.12 C ATOM 0 H PHE A 69 -9.050 -2.550 5.080 1.00 45.14 H new ATOM 0 HA PHE A 69 -6.803 -2.949 6.745 1.00 2.42 H new ATOM 0 HB2 PHE A 69 -6.528 -2.830 4.355 1.00 1.13 H new ATOM 0 HB3 PHE A 69 -7.289 -1.254 4.268 1.00 1.13 H new ATOM 0 HD1 PHE A 69 -4.210 -3.019 5.458 1.00 33.30 H new ATOM 0 HD2 PHE A 69 -5.986 0.769 4.565 1.00 34.32 H new ATOM 0 HE1 PHE A 69 -2.019 -1.928 5.667 1.00 13.22 H new ATOM 0 HE2 PHE A 69 -3.794 1.840 4.771 1.00 54.20 H new ATOM 0 HZ PHE A 69 -1.811 0.499 5.320 1.00 2.12 H new ATOM 1089 N GLN A 70 -8.086 0.117 6.671 1.00 24.11 N ATOM 1090 CA GLN A 70 -8.220 1.405 7.368 1.00 43.33 C ATOM 1091 C GLN A 70 -8.694 1.226 8.827 1.00 40.53 C ATOM 1092 O GLN A 70 -8.173 1.876 9.732 1.00 51.24 O ATOM 1093 CB GLN A 70 -9.198 2.302 6.574 1.00 32.34 C ATOM 1094 CG GLN A 70 -8.731 2.593 5.130 1.00 4.14 C ATOM 1095 CD GLN A 70 -9.807 3.217 4.240 1.00 21.13 C ATOM 1096 OE1 GLN A 70 -9.760 2.918 2.953 1.00 35.22 O flip ATOM 1097 NE2 GLN A 70 -10.678 3.951 4.703 1.00 4.34 N flip ATOM 0 H GLN A 70 -8.628 0.065 5.808 1.00 24.11 H new ATOM 0 HA GLN A 70 -7.240 1.880 7.417 1.00 43.33 H new ATOM 0 HB2 GLN A 70 -10.175 1.821 6.542 1.00 32.34 H new ATOM 0 HB3 GLN A 70 -9.325 3.246 7.104 1.00 32.34 H new ATOM 0 HG2 GLN A 70 -7.871 3.262 5.165 1.00 4.14 H new ATOM 0 HG3 GLN A 70 -8.392 1.662 4.674 1.00 4.14 H new ATOM 0 HE21 GLN A 70 -10.688 4.164 5.701 1.00 4.34 H new ATOM 0 HE22 GLN A 70 -11.390 4.347 4.090 1.00 4.34 H new ATOM 1106 N ASN A 71 -9.671 0.319 9.028 1.00 41.41 N ATOM 1107 CA ASN A 71 -10.273 0.039 10.353 1.00 72.43 C ATOM 1108 C ASN A 71 -9.289 -0.668 11.280 1.00 5.34 C ATOM 1109 O ASN A 71 -9.034 -0.184 12.393 1.00 41.23 O ATOM 1110 CB ASN A 71 -11.585 -0.780 10.212 1.00 72.10 C ATOM 1111 CG ASN A 71 -12.714 0.022 9.571 1.00 44.31 C ATOM 1112 OD1 ASN A 71 -12.784 1.247 9.705 1.00 54.23 O ATOM 1113 ND2 ASN A 71 -13.608 -0.657 8.883 1.00 43.02 N ATOM 0 H ASN A 71 -10.068 -0.243 8.275 1.00 41.41 H new ATOM 0 HA ASN A 71 -10.520 1.000 10.805 1.00 72.43 H new ATOM 0 HB2 ASN A 71 -11.391 -1.669 9.612 1.00 72.10 H new ATOM 0 HB3 ASN A 71 -11.902 -1.123 11.197 1.00 72.10 H new ATOM 0 HD21 ASN A 71 -14.388 -0.171 8.441 1.00 43.02 H new ATOM 0 HD22 ASN A 71 -13.520 -1.669 8.792 1.00 43.02 H new ATOM 1120 N GLU A 72 -8.775 -1.837 10.856 1.00 11.23 N ATOM 1121 CA GLU A 72 -7.775 -2.582 11.642 1.00 52.41 C ATOM 1122 C GLU A 72 -6.540 -1.728 11.946 1.00 24.54 C ATOM 1123 O GLU A 72 -6.035 -1.775 13.050 1.00 74.22 O ATOM 1124 CB GLU A 72 -7.388 -3.920 10.962 1.00 74.13 C ATOM 1125 CG GLU A 72 -8.564 -4.899 10.782 1.00 45.33 C ATOM 1126 CD GLU A 72 -9.346 -5.152 12.085 1.00 53.35 C ATOM 1127 OE1 GLU A 72 -8.852 -5.888 12.954 1.00 71.22 O ATOM 1128 OE2 GLU A 72 -10.470 -4.623 12.242 1.00 61.32 O ATOM 0 H GLU A 72 -9.035 -2.285 9.977 1.00 11.23 H new ATOM 0 HA GLU A 72 -8.241 -2.828 12.596 1.00 52.41 H new ATOM 0 HB2 GLU A 72 -6.955 -3.706 9.985 1.00 74.13 H new ATOM 0 HB3 GLU A 72 -6.613 -4.405 11.555 1.00 74.13 H new ATOM 0 HG2 GLU A 72 -9.245 -4.505 10.028 1.00 45.33 H new ATOM 0 HG3 GLU A 72 -8.184 -5.848 10.403 1.00 45.33 H new ATOM 1135 N ALA A 73 -6.095 -0.916 10.980 1.00 22.30 N ATOM 1136 CA ALA A 73 -4.972 0.017 11.184 1.00 31.21 C ATOM 1137 C ALA A 73 -5.292 1.049 12.285 1.00 75.32 C ATOM 1138 O ALA A 73 -4.544 1.167 13.251 1.00 15.33 O ATOM 1139 CB ALA A 73 -4.596 0.710 9.865 1.00 14.33 C ATOM 0 H ALA A 73 -6.496 -0.884 10.043 1.00 22.30 H new ATOM 0 HA ALA A 73 -4.111 -0.561 11.520 1.00 31.21 H new ATOM 0 HB1 ALA A 73 -3.765 1.394 10.037 1.00 14.33 H new ATOM 0 HB2 ALA A 73 -4.302 -0.040 9.131 1.00 14.33 H new ATOM 0 HB3 ALA A 73 -5.454 1.268 9.490 1.00 14.33 H new ATOM 1145 N LYS A 74 -6.429 1.759 12.149 1.00 25.24 N ATOM 1146 CA LYS A 74 -6.809 2.841 13.091 1.00 35.00 C ATOM 1147 C LYS A 74 -7.030 2.315 14.539 1.00 45.43 C ATOM 1148 O LYS A 74 -6.840 3.071 15.499 1.00 52.32 O ATOM 1149 CB LYS A 74 -8.060 3.629 12.589 1.00 42.34 C ATOM 1150 CG LYS A 74 -9.426 2.932 12.808 1.00 64.32 C ATOM 1151 CD LYS A 74 -10.629 3.734 12.242 1.00 1.22 C ATOM 1152 CE LYS A 74 -10.624 3.834 10.704 1.00 70.25 C ATOM 1153 NZ LYS A 74 -11.796 4.590 10.189 1.00 64.52 N ATOM 0 H LYS A 74 -7.102 1.606 11.398 1.00 25.24 H new ATOM 0 HA LYS A 74 -5.966 3.531 13.123 1.00 35.00 H new ATOM 0 HB2 LYS A 74 -8.082 4.597 13.090 1.00 42.34 H new ATOM 0 HB3 LYS A 74 -7.940 3.825 11.524 1.00 42.34 H new ATOM 0 HG2 LYS A 74 -9.402 1.948 12.339 1.00 64.32 H new ATOM 0 HG3 LYS A 74 -9.576 2.772 13.876 1.00 64.32 H new ATOM 0 HD2 LYS A 74 -11.556 3.262 12.566 1.00 1.22 H new ATOM 0 HD3 LYS A 74 -10.618 4.739 12.665 1.00 1.22 H new ATOM 0 HE2 LYS A 74 -9.706 4.322 10.376 1.00 70.25 H new ATOM 0 HE3 LYS A 74 -10.623 2.832 10.276 1.00 70.25 H new ATOM 0 HZ1 LYS A 74 -11.753 4.633 9.151 1.00 64.52 H new ATOM 0 HZ2 LYS A 74 -12.673 4.112 10.479 1.00 64.52 H new ATOM 0 HZ3 LYS A 74 -11.784 5.555 10.576 1.00 64.52 H new ATOM 1167 N LYS A 75 -7.419 1.023 14.699 1.00 31.21 N ATOM 1168 CA LYS A 75 -7.639 0.425 16.043 1.00 2.42 C ATOM 1169 C LYS A 75 -6.335 -0.176 16.612 1.00 21.14 C ATOM 1170 O LYS A 75 -6.118 -0.167 17.827 1.00 73.43 O ATOM 1171 CB LYS A 75 -8.773 -0.643 16.020 1.00 12.24 C ATOM 1172 CG LYS A 75 -8.440 -1.954 15.267 1.00 31.42 C ATOM 1173 CD LYS A 75 -9.525 -3.046 15.419 1.00 54.43 C ATOM 1174 CE LYS A 75 -10.936 -2.561 15.036 1.00 33.11 C ATOM 1175 NZ LYS A 75 -11.004 -2.068 13.636 1.00 43.23 N ATOM 0 H LYS A 75 -7.585 0.382 13.924 1.00 31.21 H new ATOM 0 HA LYS A 75 -7.956 1.232 16.703 1.00 2.42 H new ATOM 0 HB2 LYS A 75 -9.034 -0.892 17.048 1.00 12.24 H new ATOM 0 HB3 LYS A 75 -9.658 -0.198 15.565 1.00 12.24 H new ATOM 0 HG2 LYS A 75 -8.306 -1.731 14.208 1.00 31.42 H new ATOM 0 HG3 LYS A 75 -7.490 -2.343 15.634 1.00 31.42 H new ATOM 0 HD2 LYS A 75 -9.260 -3.900 14.796 1.00 54.43 H new ATOM 0 HD3 LYS A 75 -9.536 -3.396 16.451 1.00 54.43 H new ATOM 0 HE2 LYS A 75 -11.646 -3.378 15.166 1.00 33.11 H new ATOM 0 HE3 LYS A 75 -11.240 -1.764 15.714 1.00 33.11 H new ATOM 0 HZ1 LYS A 75 -11.954 -1.690 13.447 1.00 43.23 H new ATOM 0 HZ2 LYS A 75 -10.299 -1.316 13.498 1.00 43.23 H new ATOM 0 HZ3 LYS A 75 -10.806 -2.852 12.982 1.00 43.23 H new ATOM 1189 N GLU A 76 -5.474 -0.701 15.724 1.00 31.51 N ATOM 1190 CA GLU A 76 -4.182 -1.311 16.108 1.00 1.24 C ATOM 1191 C GLU A 76 -3.048 -0.276 16.086 1.00 14.23 C ATOM 1192 O GLU A 76 -1.877 -0.639 16.235 1.00 51.10 O ATOM 1193 CB GLU A 76 -3.852 -2.495 15.158 1.00 10.30 C ATOM 1194 CG GLU A 76 -4.873 -3.656 15.188 1.00 45.20 C ATOM 1195 CD GLU A 76 -4.992 -4.343 16.556 1.00 41.42 C ATOM 1196 OE1 GLU A 76 -4.238 -5.305 16.815 1.00 4.22 O ATOM 1197 OE2 GLU A 76 -5.834 -3.930 17.383 1.00 3.30 O ATOM 0 H GLU A 76 -5.650 -0.716 14.719 1.00 31.51 H new ATOM 0 HA GLU A 76 -4.271 -1.685 17.128 1.00 1.24 H new ATOM 0 HB2 GLU A 76 -3.784 -2.116 14.138 1.00 10.30 H new ATOM 0 HB3 GLU A 76 -2.869 -2.888 15.418 1.00 10.30 H new ATOM 0 HG2 GLU A 76 -5.852 -3.274 14.898 1.00 45.20 H new ATOM 0 HG3 GLU A 76 -4.587 -4.398 14.443 1.00 45.20 H new ATOM 1204 N GLY A 77 -3.397 1.004 15.854 1.00 72.41 N ATOM 1205 CA GLY A 77 -2.447 2.107 15.985 1.00 43.44 C ATOM 1206 C GLY A 77 -1.401 2.127 14.889 1.00 12.33 C ATOM 1207 O GLY A 77 -0.276 2.557 15.114 1.00 43.00 O ATOM 0 H GLY A 77 -4.335 1.292 15.574 1.00 72.41 H new ATOM 0 HA2 GLY A 77 -2.992 3.051 15.975 1.00 43.44 H new ATOM 0 HA3 GLY A 77 -1.949 2.036 16.952 1.00 43.44 H new ATOM 1211 N VAL A 78 -1.770 1.603 13.724 1.00 32.11 N ATOM 1212 CA VAL A 78 -0.980 1.688 12.499 1.00 11.32 C ATOM 1213 C VAL A 78 -1.465 2.905 11.699 1.00 34.15 C ATOM 1214 O VAL A 78 -2.659 3.009 11.385 1.00 51.34 O ATOM 1215 CB VAL A 78 -1.131 0.377 11.646 1.00 61.20 C ATOM 1216 CG1 VAL A 78 -0.362 0.471 10.306 1.00 0.30 C ATOM 1217 CG2 VAL A 78 -0.689 -0.859 12.466 1.00 15.22 C ATOM 0 H VAL A 78 -2.647 1.096 13.602 1.00 32.11 H new ATOM 0 HA VAL A 78 0.075 1.798 12.748 1.00 11.32 H new ATOM 0 HB VAL A 78 -2.186 0.261 11.398 1.00 61.20 H new ATOM 0 HG11 VAL A 78 -0.492 -0.455 9.746 1.00 0.30 H new ATOM 0 HG12 VAL A 78 -0.750 1.306 9.722 1.00 0.30 H new ATOM 0 HG13 VAL A 78 0.698 0.629 10.505 1.00 0.30 H new ATOM 0 HG21 VAL A 78 -0.801 -1.757 11.859 1.00 15.22 H new ATOM 0 HG22 VAL A 78 0.355 -0.747 12.759 1.00 15.22 H new ATOM 0 HG23 VAL A 78 -1.309 -0.945 13.358 1.00 15.22 H new ATOM 1227 N SER A 79 -0.543 3.827 11.399 1.00 74.21 N ATOM 1228 CA SER A 79 -0.839 5.032 10.609 1.00 14.32 C ATOM 1229 C SER A 79 -0.911 4.667 9.113 1.00 51.34 C ATOM 1230 O SER A 79 -0.335 3.654 8.694 1.00 12.54 O ATOM 1231 CB SER A 79 0.248 6.093 10.874 1.00 42.43 C ATOM 1232 OG SER A 79 0.346 6.387 12.254 1.00 55.25 O ATOM 0 H SER A 79 0.430 3.760 11.696 1.00 74.21 H new ATOM 0 HA SER A 79 -1.804 5.445 10.903 1.00 14.32 H new ATOM 0 HB2 SER A 79 1.209 5.733 10.506 1.00 42.43 H new ATOM 0 HB3 SER A 79 0.015 7.003 10.321 1.00 42.43 H new ATOM 0 HG SER A 79 1.043 7.061 12.396 1.00 55.25 H new ATOM 1238 N TYR A 80 -1.613 5.483 8.308 1.00 5.21 N ATOM 1239 CA TYR A 80 -1.780 5.221 6.863 1.00 13.54 C ATOM 1240 C TYR A 80 -2.173 6.499 6.108 1.00 71.22 C ATOM 1241 O TYR A 80 -2.756 7.419 6.689 1.00 12.32 O ATOM 1242 CB TYR A 80 -2.834 4.093 6.611 1.00 23.13 C ATOM 1243 CG TYR A 80 -4.245 4.375 7.182 1.00 11.25 C ATOM 1244 CD1 TYR A 80 -4.567 4.050 8.507 1.00 32.24 C ATOM 1245 CD2 TYR A 80 -5.253 4.957 6.398 1.00 52.41 C ATOM 1246 CE1 TYR A 80 -5.826 4.292 9.021 1.00 31.24 C ATOM 1247 CE2 TYR A 80 -6.512 5.202 6.915 1.00 73.25 C ATOM 1248 CZ TYR A 80 -6.793 4.867 8.224 1.00 11.32 C ATOM 1249 OH TYR A 80 -8.049 5.108 8.742 1.00 62.52 O ATOM 0 H TYR A 80 -2.076 6.332 8.632 1.00 5.21 H new ATOM 0 HA TYR A 80 -0.818 4.881 6.480 1.00 13.54 H new ATOM 0 HB2 TYR A 80 -2.919 3.930 5.537 1.00 23.13 H new ATOM 0 HB3 TYR A 80 -2.462 3.165 7.045 1.00 23.13 H new ATOM 0 HD1 TYR A 80 -3.815 3.601 9.139 1.00 32.24 H new ATOM 0 HD2 TYR A 80 -5.042 5.218 5.372 1.00 52.41 H new ATOM 0 HE1 TYR A 80 -6.052 4.032 10.044 1.00 31.24 H new ATOM 0 HE2 TYR A 80 -7.273 5.654 6.296 1.00 73.25 H new ATOM 0 HH TYR A 80 -8.614 5.517 8.054 1.00 62.52 H new ATOM 1259 N ASP A 81 -1.809 6.549 4.813 1.00 33.53 N ATOM 1260 CA ASP A 81 -2.337 7.527 3.837 1.00 4.13 C ATOM 1261 C ASP A 81 -2.896 6.772 2.634 1.00 25.22 C ATOM 1262 O ASP A 81 -2.205 5.937 2.043 1.00 54.14 O ATOM 1263 CB ASP A 81 -1.249 8.540 3.381 1.00 75.25 C ATOM 1264 CG ASP A 81 -1.051 9.678 4.390 1.00 4.11 C ATOM 1265 OD1 ASP A 81 -1.863 10.630 4.393 1.00 20.34 O ATOM 1266 OD2 ASP A 81 -0.112 9.622 5.199 1.00 75.00 O ATOM 0 H ASP A 81 -1.131 5.904 4.408 1.00 33.53 H new ATOM 0 HA ASP A 81 -3.126 8.104 4.319 1.00 4.13 H new ATOM 0 HB2 ASP A 81 -0.304 8.015 3.239 1.00 75.25 H new ATOM 0 HB3 ASP A 81 -1.529 8.959 2.415 1.00 75.25 H new ATOM 1271 N VAL A 82 -4.153 7.075 2.290 1.00 72.34 N ATOM 1272 CA VAL A 82 -4.867 6.440 1.182 1.00 4.00 C ATOM 1273 C VAL A 82 -4.595 7.220 -0.124 1.00 42.21 C ATOM 1274 O VAL A 82 -5.046 8.360 -0.290 1.00 44.44 O ATOM 1275 CB VAL A 82 -6.413 6.365 1.477 1.00 34.31 C ATOM 1276 CG1 VAL A 82 -7.165 5.660 0.328 1.00 15.04 C ATOM 1277 CG2 VAL A 82 -6.687 5.666 2.836 1.00 52.52 C ATOM 0 H VAL A 82 -4.707 7.777 2.781 1.00 72.34 H new ATOM 0 HA VAL A 82 -4.504 5.419 1.068 1.00 4.00 H new ATOM 0 HB VAL A 82 -6.790 7.386 1.544 1.00 34.31 H new ATOM 0 HG11 VAL A 82 -8.230 5.623 0.559 1.00 15.04 H new ATOM 0 HG12 VAL A 82 -7.014 6.213 -0.599 1.00 15.04 H new ATOM 0 HG13 VAL A 82 -6.783 4.646 0.212 1.00 15.04 H new ATOM 0 HG21 VAL A 82 -7.761 5.627 3.015 1.00 52.52 H new ATOM 0 HG22 VAL A 82 -6.287 4.652 2.811 1.00 52.52 H new ATOM 0 HG23 VAL A 82 -6.205 6.227 3.637 1.00 52.52 H new ATOM 1287 N LEU A 83 -3.829 6.592 -1.021 1.00 14.34 N ATOM 1288 CA LEU A 83 -3.427 7.162 -2.316 1.00 12.52 C ATOM 1289 C LEU A 83 -4.289 6.551 -3.436 1.00 43.23 C ATOM 1290 O LEU A 83 -4.106 5.392 -3.801 1.00 62.24 O ATOM 1291 CB LEU A 83 -1.919 6.876 -2.570 1.00 4.54 C ATOM 1292 CG LEU A 83 -1.316 7.450 -3.897 1.00 21.35 C ATOM 1293 CD1 LEU A 83 -1.402 8.992 -3.941 1.00 13.33 C ATOM 1294 CD2 LEU A 83 0.135 6.959 -4.107 1.00 63.22 C ATOM 0 H LEU A 83 -3.462 5.653 -0.866 1.00 14.34 H new ATOM 0 HA LEU A 83 -3.579 8.241 -2.305 1.00 12.52 H new ATOM 0 HB2 LEU A 83 -1.349 7.279 -1.733 1.00 4.54 H new ATOM 0 HB3 LEU A 83 -1.770 5.796 -2.566 1.00 4.54 H new ATOM 0 HG LEU A 83 -1.918 7.070 -4.723 1.00 21.35 H new ATOM 0 HD11 LEU A 83 -0.974 9.354 -4.876 1.00 13.33 H new ATOM 0 HD12 LEU A 83 -2.446 9.300 -3.876 1.00 13.33 H new ATOM 0 HD13 LEU A 83 -0.847 9.411 -3.102 1.00 13.33 H new ATOM 0 HD21 LEU A 83 0.528 7.373 -5.035 1.00 63.22 H new ATOM 0 HD22 LEU A 83 0.755 7.287 -3.272 1.00 63.22 H new ATOM 0 HD23 LEU A 83 0.146 5.870 -4.161 1.00 63.22 H new ATOM 1306 N LYS A 84 -5.242 7.336 -3.955 1.00 0.10 N ATOM 1307 CA LYS A 84 -6.114 6.916 -5.067 1.00 11.43 C ATOM 1308 C LYS A 84 -5.694 7.672 -6.331 1.00 74.13 C ATOM 1309 O LYS A 84 -6.076 8.830 -6.528 1.00 42.35 O ATOM 1310 CB LYS A 84 -7.605 7.186 -4.728 1.00 73.11 C ATOM 1311 CG LYS A 84 -8.106 6.441 -3.475 1.00 24.11 C ATOM 1312 CD LYS A 84 -9.591 6.737 -3.160 1.00 24.12 C ATOM 1313 CE LYS A 84 -10.073 6.022 -1.891 1.00 10.41 C ATOM 1314 NZ LYS A 84 -11.482 6.350 -1.553 1.00 72.54 N ATOM 0 H LYS A 84 -5.433 8.280 -3.618 1.00 0.10 H new ATOM 0 HA LYS A 84 -6.008 5.844 -5.233 1.00 11.43 H new ATOM 0 HB2 LYS A 84 -7.746 8.257 -4.582 1.00 73.11 H new ATOM 0 HB3 LYS A 84 -8.219 6.897 -5.581 1.00 73.11 H new ATOM 0 HG2 LYS A 84 -7.976 5.368 -3.619 1.00 24.11 H new ATOM 0 HG3 LYS A 84 -7.493 6.725 -2.619 1.00 24.11 H new ATOM 0 HD2 LYS A 84 -9.727 7.812 -3.042 1.00 24.12 H new ATOM 0 HD3 LYS A 84 -10.207 6.428 -4.004 1.00 24.12 H new ATOM 0 HE2 LYS A 84 -9.977 4.945 -2.026 1.00 10.41 H new ATOM 0 HE3 LYS A 84 -9.429 6.297 -1.056 1.00 10.41 H new ATOM 0 HZ1 LYS A 84 -11.759 5.842 -0.689 1.00 72.54 H new ATOM 0 HZ2 LYS A 84 -11.572 7.374 -1.397 1.00 72.54 H new ATOM 0 HZ3 LYS A 84 -12.103 6.063 -2.337 1.00 72.54 H new ATOM 1328 N SER A 85 -4.864 7.015 -7.157 1.00 33.43 N ATOM 1329 CA SER A 85 -4.313 7.600 -8.400 1.00 64.20 C ATOM 1330 C SER A 85 -4.016 6.483 -9.414 1.00 50.22 C ATOM 1331 O SER A 85 -3.665 5.369 -9.024 1.00 13.21 O ATOM 1332 CB SER A 85 -3.019 8.412 -8.108 1.00 63.43 C ATOM 1333 OG SER A 85 -3.237 9.447 -7.162 1.00 31.25 O ATOM 0 H SER A 85 -4.552 6.059 -6.985 1.00 33.43 H new ATOM 0 HA SER A 85 -5.054 8.281 -8.818 1.00 64.20 H new ATOM 0 HB2 SER A 85 -2.246 7.739 -7.736 1.00 63.43 H new ATOM 0 HB3 SER A 85 -2.646 8.844 -9.037 1.00 63.43 H new ATOM 0 HG SER A 85 -2.399 9.930 -7.007 1.00 31.25 H new ATOM 1339 N THR A 86 -4.192 6.786 -10.710 1.00 65.34 N ATOM 1340 CA THR A 86 -3.879 5.858 -11.813 1.00 2.41 C ATOM 1341 C THR A 86 -2.864 6.504 -12.784 1.00 12.42 C ATOM 1342 O THR A 86 -3.248 7.317 -13.638 1.00 62.41 O ATOM 1343 CB THR A 86 -5.189 5.452 -12.576 1.00 5.44 C ATOM 1344 OG1 THR A 86 -5.901 6.631 -12.983 1.00 33.53 O ATOM 1345 CG2 THR A 86 -6.122 4.577 -11.723 1.00 20.13 C ATOM 0 H THR A 86 -4.557 7.685 -11.025 1.00 65.34 H new ATOM 0 HA THR A 86 -3.432 4.956 -11.394 1.00 2.41 H new ATOM 0 HB THR A 86 -4.882 4.868 -13.443 1.00 5.44 H new ATOM 0 HG1 THR A 86 -5.271 7.279 -13.362 1.00 33.53 H new ATOM 0 HG21 THR A 86 -7.012 4.325 -12.299 1.00 20.13 H new ATOM 0 HG22 THR A 86 -5.603 3.662 -11.439 1.00 20.13 H new ATOM 0 HG23 THR A 86 -6.413 5.123 -10.826 1.00 20.13 H new ATOM 1353 N ASP A 87 -1.570 6.149 -12.629 1.00 65.34 N ATOM 1354 CA ASP A 87 -0.470 6.668 -13.476 1.00 75.12 C ATOM 1355 C ASP A 87 0.824 5.922 -13.110 1.00 74.02 C ATOM 1356 O ASP A 87 1.234 5.978 -11.950 1.00 0.34 O ATOM 1357 CB ASP A 87 -0.271 8.201 -13.287 1.00 44.35 C ATOM 1358 CG ASP A 87 0.646 8.835 -14.353 1.00 63.21 C ATOM 1359 OD1 ASP A 87 1.890 8.782 -14.217 1.00 24.52 O ATOM 1360 OD2 ASP A 87 0.122 9.387 -15.339 1.00 45.14 O ATOM 0 H ASP A 87 -1.257 5.494 -11.913 1.00 65.34 H new ATOM 0 HA ASP A 87 -0.725 6.500 -14.522 1.00 75.12 H new ATOM 0 HB2 ASP A 87 -1.243 8.693 -13.316 1.00 44.35 H new ATOM 0 HB3 ASP A 87 0.150 8.386 -12.299 1.00 44.35 H new ATOM 1365 N PRO A 88 1.506 5.229 -14.081 1.00 42.24 N ATOM 1366 CA PRO A 88 2.661 4.351 -13.763 1.00 75.42 C ATOM 1367 C PRO A 88 3.884 5.123 -13.232 1.00 72.50 C ATOM 1368 O PRO A 88 4.665 4.576 -12.462 1.00 54.51 O ATOM 1369 CB PRO A 88 2.964 3.648 -15.108 1.00 12.35 C ATOM 1370 CG PRO A 88 2.466 4.602 -16.146 1.00 62.44 C ATOM 1371 CD PRO A 88 1.230 5.252 -15.545 1.00 31.25 C ATOM 0 HA PRO A 88 2.430 3.655 -12.957 1.00 75.42 H new ATOM 0 HB2 PRO A 88 4.030 3.455 -15.224 1.00 12.35 H new ATOM 0 HB3 PRO A 88 2.457 2.686 -15.177 1.00 12.35 H new ATOM 0 HG2 PRO A 88 3.223 5.348 -16.388 1.00 62.44 H new ATOM 0 HG3 PRO A 88 2.224 4.082 -17.073 1.00 62.44 H new ATOM 0 HD2 PRO A 88 1.092 6.269 -15.912 1.00 31.25 H new ATOM 0 HD3 PRO A 88 0.324 4.698 -15.792 1.00 31.25 H new ATOM 1379 N GLU A 89 4.039 6.390 -13.650 1.00 62.34 N ATOM 1380 CA GLU A 89 5.195 7.216 -13.253 1.00 60.50 C ATOM 1381 C GLU A 89 4.908 7.973 -11.947 1.00 33.22 C ATOM 1382 O GLU A 89 5.771 8.066 -11.070 1.00 60.52 O ATOM 1383 CB GLU A 89 5.588 8.185 -14.389 1.00 75.32 C ATOM 1384 CG GLU A 89 5.973 7.475 -15.700 1.00 10.35 C ATOM 1385 CD GLU A 89 6.517 8.432 -16.765 1.00 53.24 C ATOM 1386 OE1 GLU A 89 7.743 8.684 -16.779 1.00 44.23 O ATOM 1387 OE2 GLU A 89 5.727 8.954 -17.572 1.00 31.01 O ATOM 0 H GLU A 89 3.378 6.867 -14.264 1.00 62.34 H new ATOM 0 HA GLU A 89 6.041 6.554 -13.070 1.00 60.50 H new ATOM 0 HB2 GLU A 89 4.755 8.861 -14.583 1.00 75.32 H new ATOM 0 HB3 GLU A 89 6.426 8.798 -14.058 1.00 75.32 H new ATOM 0 HG2 GLU A 89 6.723 6.714 -15.487 1.00 10.35 H new ATOM 0 HG3 GLU A 89 5.099 6.959 -16.097 1.00 10.35 H new ATOM 1394 N GLU A 90 3.674 8.495 -11.824 1.00 0.52 N ATOM 1395 CA GLU A 90 3.257 9.320 -10.674 1.00 73.33 C ATOM 1396 C GLU A 90 3.142 8.461 -9.410 1.00 54.33 C ATOM 1397 O GLU A 90 3.578 8.868 -8.337 1.00 61.03 O ATOM 1398 CB GLU A 90 1.916 10.026 -10.969 1.00 20.44 C ATOM 1399 CG GLU A 90 1.461 11.019 -9.883 1.00 13.22 C ATOM 1400 CD GLU A 90 0.136 11.711 -10.231 1.00 14.40 C ATOM 1401 OE1 GLU A 90 0.151 12.680 -11.016 1.00 14.30 O ATOM 1402 OE2 GLU A 90 -0.927 11.287 -9.729 1.00 32.55 O ATOM 0 H GLU A 90 2.939 8.357 -12.517 1.00 0.52 H new ATOM 0 HA GLU A 90 4.018 10.082 -10.506 1.00 73.33 H new ATOM 0 HB2 GLU A 90 2.001 10.558 -11.916 1.00 20.44 H new ATOM 0 HB3 GLU A 90 1.142 9.269 -11.097 1.00 20.44 H new ATOM 0 HG2 GLU A 90 1.352 10.491 -8.936 1.00 13.22 H new ATOM 0 HG3 GLU A 90 2.234 11.774 -9.740 1.00 13.22 H new ATOM 1409 N LEU A 91 2.578 7.256 -9.559 1.00 64.22 N ATOM 1410 CA LEU A 91 2.478 6.301 -8.447 1.00 22.45 C ATOM 1411 C LEU A 91 3.883 5.874 -7.995 1.00 52.53 C ATOM 1412 O LEU A 91 4.121 5.771 -6.801 1.00 74.34 O ATOM 1413 CB LEU A 91 1.621 5.074 -8.825 1.00 64.02 C ATOM 1414 CG LEU A 91 0.086 5.308 -8.943 1.00 52.21 C ATOM 1415 CD1 LEU A 91 -0.627 4.030 -9.428 1.00 55.40 C ATOM 1416 CD2 LEU A 91 -0.501 5.797 -7.602 1.00 70.45 C ATOM 0 H LEU A 91 2.184 6.919 -10.437 1.00 64.22 H new ATOM 0 HA LEU A 91 1.976 6.797 -7.616 1.00 22.45 H new ATOM 0 HB2 LEU A 91 1.981 4.687 -9.778 1.00 64.02 H new ATOM 0 HB3 LEU A 91 1.791 4.296 -8.080 1.00 64.02 H new ATOM 0 HG LEU A 91 -0.082 6.088 -9.685 1.00 52.21 H new ATOM 0 HD11 LEU A 91 -1.698 4.217 -9.503 1.00 55.40 H new ATOM 0 HD12 LEU A 91 -0.239 3.746 -10.406 1.00 55.40 H new ATOM 0 HD13 LEU A 91 -0.449 3.222 -8.718 1.00 55.40 H new ATOM 0 HD21 LEU A 91 -1.574 5.953 -7.710 1.00 70.45 H new ATOM 0 HD22 LEU A 91 -0.319 5.049 -6.831 1.00 70.45 H new ATOM 0 HD23 LEU A 91 -0.025 6.735 -7.317 1.00 70.45 H new ATOM 1428 N THR A 92 4.815 5.673 -8.956 1.00 32.01 N ATOM 1429 CA THR A 92 6.217 5.325 -8.640 1.00 71.22 C ATOM 1430 C THR A 92 6.907 6.448 -7.841 1.00 43.33 C ATOM 1431 O THR A 92 7.621 6.155 -6.873 1.00 11.15 O ATOM 1432 CB THR A 92 7.035 4.970 -9.929 1.00 43.41 C ATOM 1433 OG1 THR A 92 6.471 3.800 -10.537 1.00 71.54 O ATOM 1434 CG2 THR A 92 8.535 4.706 -9.646 1.00 41.15 C ATOM 0 H THR A 92 4.620 5.746 -9.955 1.00 32.01 H new ATOM 0 HA THR A 92 6.191 4.433 -8.014 1.00 71.22 H new ATOM 0 HB THR A 92 6.975 5.834 -10.590 1.00 43.41 H new ATOM 0 HG1 THR A 92 5.911 4.064 -11.296 1.00 71.54 H new ATOM 0 HG21 THR A 92 9.045 4.466 -10.579 1.00 41.15 H new ATOM 0 HG22 THR A 92 8.984 5.596 -9.206 1.00 41.15 H new ATOM 0 HG23 THR A 92 8.633 3.870 -8.954 1.00 41.15 H new ATOM 1442 N GLN A 93 6.656 7.729 -8.214 1.00 42.14 N ATOM 1443 CA GLN A 93 7.296 8.877 -7.540 1.00 34.10 C ATOM 1444 C GLN A 93 6.725 9.064 -6.117 1.00 24.02 C ATOM 1445 O GLN A 93 7.470 9.414 -5.209 1.00 23.44 O ATOM 1446 CB GLN A 93 7.198 10.202 -8.370 1.00 41.23 C ATOM 1447 CG GLN A 93 5.854 10.959 -8.304 1.00 73.21 C ATOM 1448 CD GLN A 93 5.863 12.283 -9.070 1.00 52.52 C ATOM 1449 OE1 GLN A 93 5.485 12.251 -10.339 1.00 53.05 O flip ATOM 1450 NE2 GLN A 93 6.205 13.332 -8.520 1.00 71.33 N flip ATOM 0 H GLN A 93 6.021 7.986 -8.970 1.00 42.14 H new ATOM 0 HA GLN A 93 8.358 8.644 -7.460 1.00 34.10 H new ATOM 0 HB2 GLN A 93 7.986 10.875 -8.032 1.00 41.23 H new ATOM 0 HB3 GLN A 93 7.406 9.967 -9.414 1.00 41.23 H new ATOM 0 HG2 GLN A 93 5.066 10.321 -8.705 1.00 73.21 H new ATOM 0 HG3 GLN A 93 5.606 11.153 -7.261 1.00 73.21 H new ATOM 0 HE21 GLN A 93 6.491 13.325 -7.541 1.00 71.33 H new ATOM 0 HE22 GLN A 93 6.202 14.207 -9.044 1.00 71.33 H new ATOM 1459 N ARG A 94 5.413 8.780 -5.927 1.00 64.52 N ATOM 1460 CA ARG A 94 4.734 8.953 -4.619 1.00 74.22 C ATOM 1461 C ARG A 94 5.112 7.819 -3.648 1.00 52.45 C ATOM 1462 O ARG A 94 5.386 8.074 -2.470 1.00 13.44 O ATOM 1463 CB ARG A 94 3.193 9.025 -4.791 1.00 10.32 C ATOM 1464 CG ARG A 94 2.693 10.203 -5.659 1.00 62.54 C ATOM 1465 CD ARG A 94 3.105 11.579 -5.120 1.00 50.33 C ATOM 1466 NE ARG A 94 2.661 12.669 -6.013 1.00 14.04 N ATOM 1467 CZ ARG A 94 3.408 13.724 -6.385 1.00 13.35 C ATOM 1468 NH1 ARG A 94 4.656 13.862 -5.949 1.00 41.24 N ATOM 1469 NH2 ARG A 94 2.905 14.642 -7.190 1.00 42.14 N ATOM 0 H ARG A 94 4.803 8.429 -6.665 1.00 64.52 H new ATOM 0 HA ARG A 94 5.073 9.898 -4.195 1.00 74.22 H new ATOM 0 HB2 ARG A 94 2.847 8.092 -5.235 1.00 10.32 H new ATOM 0 HB3 ARG A 94 2.734 9.098 -3.805 1.00 10.32 H new ATOM 0 HG2 ARG A 94 3.080 10.088 -6.671 1.00 62.54 H new ATOM 0 HG3 ARG A 94 1.606 10.159 -5.726 1.00 62.54 H new ATOM 0 HD2 ARG A 94 2.678 11.724 -4.128 1.00 50.33 H new ATOM 0 HD3 ARG A 94 4.189 11.617 -5.009 1.00 50.33 H new ATOM 0 HE ARG A 94 1.710 12.617 -6.377 1.00 14.04 H new ATOM 0 HH11 ARG A 94 5.058 13.163 -5.325 1.00 41.24 H new ATOM 0 HH12 ARG A 94 5.211 14.667 -6.239 1.00 41.24 H new ATOM 0 HH21 ARG A 94 1.948 14.552 -7.531 1.00 42.14 H new ATOM 0 HH22 ARG A 94 3.473 15.441 -7.471 1.00 42.14 H new ATOM 1483 N VAL A 95 5.114 6.575 -4.166 1.00 34.41 N ATOM 1484 CA VAL A 95 5.548 5.367 -3.429 1.00 14.42 C ATOM 1485 C VAL A 95 6.982 5.536 -2.923 1.00 73.01 C ATOM 1486 O VAL A 95 7.261 5.339 -1.727 1.00 70.44 O ATOM 1487 CB VAL A 95 5.436 4.073 -4.344 1.00 22.45 C ATOM 1488 CG1 VAL A 95 6.253 2.871 -3.793 1.00 3.44 C ATOM 1489 CG2 VAL A 95 3.949 3.676 -4.543 1.00 11.51 C ATOM 0 H VAL A 95 4.811 6.376 -5.119 1.00 34.41 H new ATOM 0 HA VAL A 95 4.887 5.238 -2.572 1.00 14.42 H new ATOM 0 HB VAL A 95 5.872 4.331 -5.309 1.00 22.45 H new ATOM 0 HG11 VAL A 95 6.138 2.017 -4.460 1.00 3.44 H new ATOM 0 HG12 VAL A 95 7.306 3.144 -3.732 1.00 3.44 H new ATOM 0 HG13 VAL A 95 5.889 2.608 -2.800 1.00 3.44 H new ATOM 0 HG21 VAL A 95 3.891 2.788 -5.172 1.00 11.51 H new ATOM 0 HG22 VAL A 95 3.496 3.465 -3.574 1.00 11.51 H new ATOM 0 HG23 VAL A 95 3.415 4.496 -5.023 1.00 11.51 H new ATOM 1499 N ARG A 96 7.872 5.938 -3.842 1.00 70.10 N ATOM 1500 CA ARG A 96 9.303 5.992 -3.561 1.00 73.24 C ATOM 1501 C ARG A 96 9.629 7.135 -2.590 1.00 3.55 C ATOM 1502 O ARG A 96 10.376 6.920 -1.638 1.00 52.52 O ATOM 1503 CB ARG A 96 10.141 6.081 -4.867 1.00 14.44 C ATOM 1504 CG ARG A 96 10.286 7.469 -5.519 1.00 0.32 C ATOM 1505 CD ARG A 96 11.199 7.421 -6.751 1.00 35.34 C ATOM 1506 NE ARG A 96 12.527 6.850 -6.440 1.00 41.24 N ATOM 1507 CZ ARG A 96 13.468 6.534 -7.354 1.00 11.05 C ATOM 1508 NH1 ARG A 96 13.260 6.727 -8.658 1.00 73.33 N ATOM 1509 NH2 ARG A 96 14.616 6.013 -6.952 1.00 42.24 N ATOM 0 H ARG A 96 7.619 6.230 -4.786 1.00 70.10 H new ATOM 0 HA ARG A 96 9.582 5.058 -3.073 1.00 73.24 H new ATOM 0 HB2 ARG A 96 11.141 5.703 -4.653 1.00 14.44 H new ATOM 0 HB3 ARG A 96 9.696 5.409 -5.600 1.00 14.44 H new ATOM 0 HG2 ARG A 96 9.303 7.840 -5.808 1.00 0.32 H new ATOM 0 HG3 ARG A 96 10.691 8.173 -4.792 1.00 0.32 H new ATOM 0 HD2 ARG A 96 10.723 6.826 -7.531 1.00 35.34 H new ATOM 0 HD3 ARG A 96 11.323 8.428 -7.149 1.00 35.34 H new ATOM 0 HE ARG A 96 12.749 6.682 -5.459 1.00 41.24 H new ATOM 0 HH11 ARG A 96 12.376 7.120 -8.981 1.00 73.33 H new ATOM 0 HH12 ARG A 96 13.985 6.481 -9.332 1.00 73.33 H new ATOM 0 HH21 ARG A 96 14.784 5.853 -5.959 1.00 42.24 H new ATOM 0 HH22 ARG A 96 15.333 5.771 -7.636 1.00 42.24 H new ATOM 1523 N GLU A 97 9.016 8.332 -2.802 1.00 12.13 N ATOM 1524 CA GLU A 97 9.300 9.516 -1.968 1.00 11.42 C ATOM 1525 C GLU A 97 8.778 9.291 -0.549 1.00 42.13 C ATOM 1526 O GLU A 97 9.361 9.800 0.397 1.00 51.21 O ATOM 1527 CB GLU A 97 8.715 10.828 -2.560 1.00 31.42 C ATOM 1528 CG GLU A 97 7.181 10.975 -2.472 1.00 73.42 C ATOM 1529 CD GLU A 97 6.666 12.256 -3.141 1.00 22.44 C ATOM 1530 OE1 GLU A 97 6.421 12.239 -4.366 1.00 24.42 O ATOM 1531 OE2 GLU A 97 6.521 13.291 -2.455 1.00 64.31 O ATOM 0 H GLU A 97 8.329 8.494 -3.538 1.00 12.13 H new ATOM 0 HA GLU A 97 10.383 9.641 -1.947 1.00 11.42 H new ATOM 0 HB2 GLU A 97 9.173 11.673 -2.046 1.00 31.42 H new ATOM 0 HB3 GLU A 97 9.009 10.895 -3.608 1.00 31.42 H new ATOM 0 HG2 GLU A 97 6.711 10.111 -2.942 1.00 73.42 H new ATOM 0 HG3 GLU A 97 6.880 10.972 -1.424 1.00 73.42 H new ATOM 1538 N PHE A 98 7.674 8.515 -0.427 1.00 74.13 N ATOM 1539 CA PHE A 98 7.124 8.087 0.864 1.00 63.10 C ATOM 1540 C PHE A 98 8.156 7.239 1.626 1.00 10.13 C ATOM 1541 O PHE A 98 8.450 7.513 2.784 1.00 72.42 O ATOM 1542 CB PHE A 98 5.813 7.287 0.636 1.00 61.24 C ATOM 1543 CG PHE A 98 5.182 6.728 1.907 1.00 63.42 C ATOM 1544 CD1 PHE A 98 4.422 7.545 2.745 1.00 63.43 C ATOM 1545 CD2 PHE A 98 5.354 5.389 2.272 1.00 60.50 C ATOM 1546 CE1 PHE A 98 3.860 7.043 3.900 1.00 62.11 C ATOM 1547 CE2 PHE A 98 4.791 4.896 3.426 1.00 4.41 C ATOM 1548 CZ PHE A 98 4.047 5.718 4.239 1.00 13.42 C ATOM 0 H PHE A 98 7.145 8.172 -1.229 1.00 74.13 H new ATOM 0 HA PHE A 98 6.895 8.966 1.467 1.00 63.10 H new ATOM 0 HB2 PHE A 98 5.089 7.934 0.141 1.00 61.24 H new ATOM 0 HB3 PHE A 98 6.020 6.461 -0.045 1.00 61.24 H new ATOM 0 HD1 PHE A 98 4.272 8.583 2.486 1.00 63.43 H new ATOM 0 HD2 PHE A 98 5.936 4.734 1.640 1.00 60.50 H new ATOM 0 HE1 PHE A 98 3.274 7.686 4.539 1.00 62.11 H new ATOM 0 HE2 PHE A 98 4.934 3.860 3.694 1.00 4.41 H new ATOM 0 HZ PHE A 98 3.608 5.326 5.145 1.00 13.42 H new ATOM 1558 N LEU A 99 8.717 6.226 0.938 1.00 72.21 N ATOM 1559 CA LEU A 99 9.744 5.332 1.518 1.00 12.43 C ATOM 1560 C LEU A 99 11.029 6.109 1.888 1.00 11.33 C ATOM 1561 O LEU A 99 11.757 5.714 2.807 1.00 4.01 O ATOM 1562 CB LEU A 99 10.067 4.176 0.531 1.00 24.43 C ATOM 1563 CG LEU A 99 8.895 3.176 0.254 1.00 74.43 C ATOM 1564 CD1 LEU A 99 9.267 2.163 -0.850 1.00 45.02 C ATOM 1565 CD2 LEU A 99 8.459 2.454 1.550 1.00 13.34 C ATOM 0 H LEU A 99 8.475 6.003 -0.028 1.00 72.21 H new ATOM 0 HA LEU A 99 9.341 4.909 2.438 1.00 12.43 H new ATOM 0 HB2 LEU A 99 10.383 4.610 -0.418 1.00 24.43 H new ATOM 0 HB3 LEU A 99 10.915 3.614 0.922 1.00 24.43 H new ATOM 0 HG LEU A 99 8.046 3.757 -0.106 1.00 74.43 H new ATOM 0 HD11 LEU A 99 8.431 1.484 -1.017 1.00 45.02 H new ATOM 0 HD12 LEU A 99 9.491 2.697 -1.773 1.00 45.02 H new ATOM 0 HD13 LEU A 99 10.142 1.592 -0.540 1.00 45.02 H new ATOM 0 HD21 LEU A 99 7.644 1.766 1.327 1.00 13.34 H new ATOM 0 HD22 LEU A 99 9.303 1.897 1.957 1.00 13.34 H new ATOM 0 HD23 LEU A 99 8.123 3.190 2.281 1.00 13.34 H new ATOM 1577 N LYS A 100 11.276 7.231 1.178 1.00 54.15 N ATOM 1578 CA LYS A 100 12.468 8.074 1.386 1.00 2.54 C ATOM 1579 C LYS A 100 12.275 9.035 2.570 1.00 35.42 C ATOM 1580 O LYS A 100 13.155 9.142 3.427 1.00 73.34 O ATOM 1581 CB LYS A 100 12.817 8.876 0.100 1.00 74.04 C ATOM 1582 CG LYS A 100 13.267 8.000 -1.094 1.00 31.24 C ATOM 1583 CD LYS A 100 13.758 8.833 -2.306 1.00 62.10 C ATOM 1584 CE LYS A 100 15.036 9.641 -1.998 1.00 63.31 C ATOM 1585 NZ LYS A 100 15.493 10.434 -3.170 1.00 40.11 N ATOM 0 H LYS A 100 10.654 7.575 0.446 1.00 54.15 H new ATOM 0 HA LYS A 100 13.299 7.407 1.617 1.00 2.54 H new ATOM 0 HB2 LYS A 100 11.945 9.458 -0.199 1.00 74.04 H new ATOM 0 HB3 LYS A 100 13.610 9.587 0.333 1.00 74.04 H new ATOM 0 HG2 LYS A 100 14.068 7.336 -0.769 1.00 31.24 H new ATOM 0 HG3 LYS A 100 12.436 7.368 -1.407 1.00 31.24 H new ATOM 0 HD2 LYS A 100 13.949 8.165 -3.146 1.00 62.10 H new ATOM 0 HD3 LYS A 100 12.967 9.516 -2.616 1.00 62.10 H new ATOM 0 HE2 LYS A 100 14.847 10.311 -1.159 1.00 63.31 H new ATOM 0 HE3 LYS A 100 15.829 8.960 -1.690 1.00 63.31 H new ATOM 0 HZ1 LYS A 100 16.354 10.961 -2.918 1.00 40.11 H new ATOM 0 HZ2 LYS A 100 15.698 9.794 -3.964 1.00 40.11 H new ATOM 0 HZ3 LYS A 100 14.747 11.103 -3.449 1.00 40.11 H new ATOM 1599 N THR A 101 11.103 9.702 2.642 1.00 54.41 N ATOM 1600 CA THR A 101 10.877 10.796 3.612 1.00 20.32 C ATOM 1601 C THR A 101 10.449 10.207 4.965 1.00 43.44 C ATOM 1602 O THR A 101 10.905 10.656 6.022 1.00 3.01 O ATOM 1603 CB THR A 101 9.826 11.854 3.097 1.00 32.02 C ATOM 1604 OG1 THR A 101 9.817 12.988 3.974 1.00 73.45 O ATOM 1605 CG2 THR A 101 8.385 11.293 2.985 1.00 64.12 C ATOM 0 H THR A 101 10.302 9.503 2.043 1.00 54.41 H new ATOM 0 HA THR A 101 11.818 11.333 3.733 1.00 20.32 H new ATOM 0 HB THR A 101 10.139 12.134 2.091 1.00 32.02 H new ATOM 0 HG1 THR A 101 9.165 13.645 3.652 1.00 73.45 H new ATOM 0 HG21 THR A 101 7.717 12.075 2.625 1.00 64.12 H new ATOM 0 HG22 THR A 101 8.374 10.456 2.286 1.00 64.12 H new ATOM 0 HG23 THR A 101 8.050 10.952 3.965 1.00 64.12 H new ATOM 1613 N ALA A 102 9.604 9.155 4.913 1.00 0.54 N ATOM 1614 CA ALA A 102 9.197 8.383 6.097 1.00 34.13 C ATOM 1615 C ALA A 102 10.282 7.367 6.490 1.00 44.00 C ATOM 1616 O ALA A 102 10.097 6.588 7.426 1.00 55.55 O ATOM 1617 CB ALA A 102 7.840 7.700 5.857 1.00 13.13 C ATOM 0 H ALA A 102 9.186 8.820 4.045 1.00 0.54 H new ATOM 0 HA ALA A 102 9.078 9.071 6.934 1.00 34.13 H new ATOM 0 HB1 ALA A 102 7.556 7.134 6.744 1.00 13.13 H new ATOM 0 HB2 ALA A 102 7.083 8.457 5.652 1.00 13.13 H new ATOM 0 HB3 ALA A 102 7.918 7.025 5.005 1.00 13.13 H new ATOM 1623 N GLY A 103 11.428 7.394 5.763 1.00 30.32 N ATOM 1624 CA GLY A 103 12.642 6.687 6.175 1.00 12.32 C ATOM 1625 C GLY A 103 13.124 7.116 7.563 1.00 12.41 C ATOM 1626 O GLY A 103 13.846 6.376 8.230 1.00 3.12 O ATOM 0 H GLY A 103 11.524 7.904 4.885 1.00 30.32 H new ATOM 0 HA2 GLY A 103 12.452 5.614 6.175 1.00 12.32 H new ATOM 0 HA3 GLY A 103 13.431 6.871 5.446 1.00 12.32 H new ATOM 1630 N SER A 104 12.715 8.330 7.990 1.00 2.14 N ATOM 1631 CA SER A 104 12.925 8.838 9.352 1.00 61.51 C ATOM 1632 C SER A 104 11.564 8.974 10.082 1.00 54.10 C ATOM 1633 O SER A 104 10.920 10.028 10.021 1.00 32.03 O ATOM 1634 CB SER A 104 13.674 10.198 9.292 1.00 53.22 C ATOM 1635 OG SER A 104 13.003 11.124 8.448 1.00 62.45 O ATOM 0 H SER A 104 12.224 8.989 7.386 1.00 2.14 H new ATOM 0 HA SER A 104 13.539 8.135 9.916 1.00 61.51 H new ATOM 0 HB2 SER A 104 13.758 10.613 10.296 1.00 53.22 H new ATOM 0 HB3 SER A 104 14.689 10.040 8.927 1.00 53.22 H new ATOM 0 HG SER A 104 12.046 11.125 8.659 1.00 62.45 H new ATOM 1641 N LEU A 105 11.097 7.882 10.720 1.00 70.40 N ATOM 1642 CA LEU A 105 9.905 7.918 11.607 1.00 1.34 C ATOM 1643 C LEU A 105 10.357 8.128 13.060 1.00 34.00 C ATOM 1644 O LEU A 105 11.510 7.830 13.405 1.00 43.42 O ATOM 1645 CB LEU A 105 9.053 6.617 11.488 1.00 34.05 C ATOM 1646 CG LEU A 105 8.356 6.378 10.113 1.00 31.32 C ATOM 1647 CD1 LEU A 105 7.587 5.042 10.091 1.00 44.05 C ATOM 1648 CD2 LEU A 105 7.433 7.559 9.736 1.00 14.24 C ATOM 0 H LEU A 105 11.525 6.960 10.640 1.00 70.40 H new ATOM 0 HA LEU A 105 9.272 8.748 11.293 1.00 1.34 H new ATOM 0 HB2 LEU A 105 9.698 5.764 11.699 1.00 34.05 H new ATOM 0 HB3 LEU A 105 8.286 6.637 12.263 1.00 34.05 H new ATOM 0 HG LEU A 105 9.141 6.317 9.359 1.00 31.32 H new ATOM 0 HD11 LEU A 105 7.115 4.910 9.118 1.00 44.05 H new ATOM 0 HD12 LEU A 105 8.280 4.220 10.273 1.00 44.05 H new ATOM 0 HD13 LEU A 105 6.822 5.050 10.867 1.00 44.05 H new ATOM 0 HD21 LEU A 105 6.963 7.360 8.773 1.00 14.24 H new ATOM 0 HD22 LEU A 105 6.663 7.676 10.498 1.00 14.24 H new ATOM 0 HD23 LEU A 105 8.021 8.474 9.671 1.00 14.24 H new ATOM 1660 N GLU A 106 9.451 8.665 13.898 1.00 74.22 N ATOM 1661 CA GLU A 106 9.708 8.872 15.337 1.00 23.03 C ATOM 1662 C GLU A 106 9.713 7.507 16.057 1.00 15.25 C ATOM 1663 O GLU A 106 8.850 6.662 15.786 1.00 31.13 O ATOM 1664 CB GLU A 106 8.621 9.799 15.957 1.00 32.45 C ATOM 1665 CG GLU A 106 8.375 11.123 15.210 1.00 24.30 C ATOM 1666 CD GLU A 106 9.614 12.027 15.136 1.00 72.45 C ATOM 1667 OE1 GLU A 106 9.931 12.701 16.136 1.00 11.13 O ATOM 1668 OE2 GLU A 106 10.282 12.062 14.080 1.00 1.43 O ATOM 0 H GLU A 106 8.524 8.967 13.599 1.00 74.22 H new ATOM 0 HA GLU A 106 10.679 9.352 15.460 1.00 23.03 H new ATOM 0 HB2 GLU A 106 7.682 9.248 16.003 1.00 32.45 H new ATOM 0 HB3 GLU A 106 8.907 10.029 16.984 1.00 32.45 H new ATOM 0 HG2 GLU A 106 8.036 10.902 14.198 1.00 24.30 H new ATOM 0 HG3 GLU A 106 7.569 11.665 15.705 1.00 24.30 H new ATOM 1675 N HIS A 107 10.680 7.291 16.960 1.00 3.24 N ATOM 1676 CA HIS A 107 10.820 6.014 17.686 1.00 73.31 C ATOM 1677 C HIS A 107 10.047 6.084 19.018 1.00 2.40 C ATOM 1678 O HIS A 107 10.597 6.475 20.054 1.00 10.33 O ATOM 1679 CB HIS A 107 12.321 5.677 17.915 1.00 34.10 C ATOM 1680 CG HIS A 107 12.576 4.274 18.423 1.00 34.53 C ATOM 1681 ND1 HIS A 107 13.398 3.989 19.491 1.00 74.15 N ATOM 1682 CD2 HIS A 107 12.143 3.072 17.966 1.00 4.11 C ATOM 1683 CE1 HIS A 107 13.463 2.683 19.659 1.00 53.41 C ATOM 1684 NE2 HIS A 107 12.712 2.105 18.749 1.00 71.44 N ATOM 0 H HIS A 107 11.383 7.987 17.208 1.00 3.24 H new ATOM 0 HA HIS A 107 10.393 5.211 17.085 1.00 73.31 H new ATOM 0 HB2 HIS A 107 12.859 5.814 16.977 1.00 34.10 H new ATOM 0 HB3 HIS A 107 12.736 6.390 18.628 1.00 34.10 H new ATOM 0 HD2 HIS A 107 11.472 2.908 17.136 1.00 4.11 H new ATOM 0 HE1 HIS A 107 14.038 2.173 20.418 1.00 53.41 H new ATOM 0 HE2 HIS A 107 12.575 1.100 18.644 1.00 71.44 H new ATOM 1693 N HIS A 108 8.740 5.780 18.958 1.00 12.43 N ATOM 1694 CA HIS A 108 7.870 5.666 20.148 1.00 4.15 C ATOM 1695 C HIS A 108 7.657 4.182 20.458 1.00 50.35 C ATOM 1696 O HIS A 108 7.524 3.371 19.522 1.00 23.45 O ATOM 1697 CB HIS A 108 6.506 6.363 19.898 1.00 52.43 C ATOM 1698 CG HIS A 108 5.573 6.391 21.088 1.00 52.53 C ATOM 1699 ND1 HIS A 108 4.483 5.559 21.213 1.00 74.25 N ATOM 1700 CD2 HIS A 108 5.560 7.178 22.191 1.00 54.22 C ATOM 1701 CE1 HIS A 108 3.842 5.836 22.331 1.00 2.03 C ATOM 1702 NE2 HIS A 108 4.477 6.811 22.945 1.00 64.32 N ATOM 0 H HIS A 108 8.252 5.605 18.080 1.00 12.43 H new ATOM 0 HA HIS A 108 8.347 6.158 20.996 1.00 4.15 H new ATOM 0 HB2 HIS A 108 6.693 7.388 19.578 1.00 52.43 H new ATOM 0 HB3 HIS A 108 6.003 5.858 19.073 1.00 52.43 H new ATOM 0 HD2 HIS A 108 6.273 7.953 22.432 1.00 54.22 H new ATOM 0 HE1 HIS A 108 2.947 5.345 22.683 1.00 2.03 H new ATOM 0 HE2 HIS A 108 4.207 7.226 23.837 1.00 64.32 H new ATOM 1711 N HIS A 109 7.627 3.835 21.764 1.00 55.12 N ATOM 1712 CA HIS A 109 7.398 2.456 22.217 1.00 14.22 C ATOM 1713 C HIS A 109 5.979 2.013 21.802 1.00 2.11 C ATOM 1714 O HIS A 109 4.993 2.725 22.044 1.00 23.20 O ATOM 1715 CB HIS A 109 7.617 2.309 23.753 1.00 71.03 C ATOM 1716 CG HIS A 109 6.556 2.938 24.629 1.00 61.00 C ATOM 1717 ND1 HIS A 109 5.627 2.196 25.326 1.00 32.11 N ATOM 1718 CD2 HIS A 109 6.286 4.232 24.924 1.00 54.01 C ATOM 1719 CE1 HIS A 109 4.842 2.999 26.003 1.00 72.11 C ATOM 1720 NE2 HIS A 109 5.220 4.238 25.778 1.00 4.14 N ATOM 0 H HIS A 109 7.760 4.502 22.524 1.00 55.12 H new ATOM 0 HA HIS A 109 8.128 1.803 21.738 1.00 14.22 H new ATOM 0 HB2 HIS A 109 7.678 1.247 23.993 1.00 71.03 H new ATOM 0 HB3 HIS A 109 8.581 2.749 24.008 1.00 71.03 H new ATOM 0 HD2 HIS A 109 6.815 5.098 24.553 1.00 54.01 H new ATOM 0 HE1 HIS A 109 4.023 2.694 26.638 1.00 72.11 H new ATOM 0 HE2 HIS A 109 4.787 5.071 26.177 1.00 4.14 H new ATOM 1729 N HIS A 110 5.903 0.859 21.143 1.00 43.33 N ATOM 1730 CA HIS A 110 4.662 0.349 20.545 1.00 71.02 C ATOM 1731 C HIS A 110 3.933 -0.551 21.554 1.00 70.54 C ATOM 1732 O HIS A 110 4.575 -1.281 22.313 1.00 13.53 O ATOM 1733 CB HIS A 110 4.978 -0.407 19.229 1.00 50.32 C ATOM 1734 CG HIS A 110 5.690 0.435 18.192 1.00 55.50 C ATOM 1735 ND1 HIS A 110 7.015 0.265 17.861 1.00 34.12 N ATOM 1736 CD2 HIS A 110 5.247 1.449 17.408 1.00 24.14 C ATOM 1737 CE1 HIS A 110 7.350 1.131 16.927 1.00 11.24 C ATOM 1738 NE2 HIS A 110 6.294 1.859 16.628 1.00 10.42 N ATOM 0 H HIS A 110 6.705 0.244 21.006 1.00 43.33 H new ATOM 0 HA HIS A 110 4.004 1.182 20.298 1.00 71.02 H new ATOM 0 HB2 HIS A 110 5.593 -1.277 19.460 1.00 50.32 H new ATOM 0 HB3 HIS A 110 4.046 -0.779 18.803 1.00 50.32 H new ATOM 0 HD2 HIS A 110 4.248 1.859 17.401 1.00 24.14 H new ATOM 0 HE1 HIS A 110 8.328 1.228 16.480 1.00 11.24 H new ATOM 0 HE2 HIS A 110 6.262 2.604 15.932 1.00 10.42 H new ATOM 1747 N HIS A 111 2.590 -0.452 21.564 1.00 63.44 N ATOM 1748 CA HIS A 111 1.689 -1.204 22.477 1.00 50.45 C ATOM 1749 C HIS A 111 1.790 -2.739 22.250 1.00 54.42 C ATOM 1750 O HIS A 111 0.989 -3.342 21.531 1.00 72.25 O ATOM 1751 CB HIS A 111 0.215 -0.692 22.323 1.00 60.44 C ATOM 1752 CG HIS A 111 -0.356 -0.767 20.921 1.00 60.12 C ATOM 1753 ND1 HIS A 111 -1.537 -1.400 20.625 1.00 14.52 N ATOM 1754 CD2 HIS A 111 0.100 -0.279 19.742 1.00 74.03 C ATOM 1755 CE1 HIS A 111 -1.779 -1.301 19.340 1.00 31.03 C ATOM 1756 NE2 HIS A 111 -0.796 -0.623 18.786 1.00 51.31 N ATOM 0 H HIS A 111 2.085 0.164 20.927 1.00 63.44 H new ATOM 0 HA HIS A 111 2.010 -1.019 23.502 1.00 50.45 H new ATOM 0 HB2 HIS A 111 -0.424 -1.271 22.989 1.00 60.44 H new ATOM 0 HB3 HIS A 111 0.171 0.344 22.660 1.00 60.44 H new ATOM 0 HD2 HIS A 111 1.011 0.282 19.592 1.00 74.03 H new ATOM 0 HE1 HIS A 111 -2.637 -1.706 18.825 1.00 31.03 H new ATOM 0 HE2 HIS A 111 -0.721 -0.393 17.795 1.00 51.31 H new ATOM 1765 N HIS A 112 2.812 -3.348 22.863 1.00 31.14 N ATOM 1766 CA HIS A 112 3.138 -4.771 22.699 1.00 4.25 C ATOM 1767 C HIS A 112 2.958 -5.482 24.059 1.00 52.45 C ATOM 1768 O HIS A 112 3.872 -5.415 24.908 1.00 25.33 O ATOM 1769 CB HIS A 112 4.590 -4.905 22.149 1.00 23.02 C ATOM 1770 CG HIS A 112 4.964 -6.307 21.733 1.00 63.03 C ATOM 1771 ND1 HIS A 112 4.781 -6.774 20.453 1.00 54.24 N ATOM 1772 CD2 HIS A 112 5.490 -7.342 22.429 1.00 73.11 C ATOM 1773 CE1 HIS A 112 5.172 -8.029 20.381 1.00 22.41 C ATOM 1774 NE2 HIS A 112 5.605 -8.403 21.568 1.00 2.41 N ATOM 1775 OXT HIS A 112 1.884 -6.057 24.299 1.00 37.86 O ATOM 0 H HIS A 112 3.445 -2.860 23.496 1.00 31.14 H new ATOM 0 HA HIS A 112 2.471 -5.246 21.980 1.00 4.25 H new ATOM 0 HB2 HIS A 112 4.706 -4.240 21.293 1.00 23.02 H new ATOM 0 HB3 HIS A 112 5.289 -4.565 22.913 1.00 23.02 H new ATOM 0 HD1 HIS A 112 4.401 -6.231 19.678 1.00 54.24 H new ATOM 0 HD2 HIS A 112 5.768 -7.334 23.472 1.00 73.11 H new ATOM 0 HE1 HIS A 112 5.143 -8.649 19.497 1.00 22.41 H new TER 1784 HIS A 112