USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1158 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 2 LYS NZ :NH3+ 169:sc= 2.12 (180deg=1.66) USER MOD Set 1.2: A 76 TYR OH : rot 176:sc= 0.391 USER MOD Set 2.1: A 72 SER OG : rot 68:sc= 1.87 USER MOD Set 2.2: A 102 TYR OH : rot 140:sc= 1.13 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.0709 K(o=-1.1,f=-6.1) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.1!) USER MOD Set 4.1: A 10 ASN : amide:sc= 0.193 K(o=0.61,f=-0.84!) USER MOD Set 4.2: A 11 ASN : amide:sc= 0.396 K(o=0.61,f=-0.44) USER MOD Set 4.3: A 85 GLN : amide:sc= 0.0231 X(o=0.61,f=0.18) USER MOD Set 5.1: A 9 THR OG1 : rot -120:sc= 0.251 USER MOD Set 5.2: A 83 GLN : amide:sc= -1.7! C(o=-1.4!,f=-5.8!) USER MOD Set 6.1: A 1 MET CE :methyl -119:sc= -1.94! (180deg=-1.99) USER MOD Set 6.2: A 132 HIS : no HE2:sc= 0.0656 K(o=-1.9,f=-3.3) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.179 (180deg=0.157) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc=-0.00551 (180deg=-0.147) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0295) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 0.45 (180deg=0.31) USER MOD Single : A 24 ASN : amide:sc= 0.735 K(o=0.74,f=-0.00029) USER MOD Single : A 25 GLN : amide:sc=-0.00689 X(o=-0.0069,f=-0.0069) USER MOD Single : A 27 TYR OH : rot 62:sc= 0.448 USER MOD Single : A 28 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.49) USER MOD Single : A 35 SER OG : rot 180:sc=0.000858 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= -0.41 (180deg=-1.08!) USER MOD Single : A 42 MET CE :methyl -146:sc= -1.96 (180deg=-2.71) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00523) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0.309 (180deg=0.284) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00431) USER MOD Single : A 50 ASN : amide:sc= 0.556 K(o=0.56,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0.274 (180deg=0.207) USER MOD Single : A 58 SER OG : rot -117:sc= 0.468 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.19) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00641) USER MOD Single : A 67 MET CE :methyl -119:sc= -2.02 (180deg=-2.78) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0236) USER MOD Single : A 77 LYS NZ :NH3+ -123:sc= 0.751 (180deg=0.0982) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -118:sc= 1.28 (180deg=0.203) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -0.239 F(o=-2,f=-0.24) USER MOD Single : A 106 LYS NZ :NH3+ -138:sc= -0.0644 (180deg=-4.28!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -179:sc= -2.31 (180deg=-2.34) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 123 LYS NZ :NH3+ -168:sc=-0.00702 (180deg=-0.152) USER MOD Single : A 126 SER OG : rot -70:sc= 1.06 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 130 HIS : no HE2:sc= -0.394 K(o=-0.39,f=-2.3!) USER MOD Single : A 131 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.178 6.490 14.290 1.00 62.11 N ATOM 2 CA MET A 1 2.903 6.172 15.024 1.00 72.44 C ATOM 3 C MET A 1 2.180 4.984 14.348 1.00 4.11 C ATOM 4 O MET A 1 0.958 4.830 14.491 1.00 14.53 O ATOM 5 CB MET A 1 1.956 7.403 15.022 1.00 54.00 C ATOM 6 CG MET A 1 2.545 8.694 15.577 1.00 74.43 C ATOM 7 SD MET A 1 1.374 10.072 15.505 1.00 4.42 S ATOM 8 CE MET A 1 0.888 10.074 13.772 1.00 75.44 C ATOM 0 H1 MET A 1 4.672 7.267 14.773 1.00 62.11 H new ATOM 0 H2 MET A 1 4.789 5.648 14.274 1.00 62.11 H new ATOM 0 H3 MET A 1 3.955 6.774 13.315 1.00 62.11 H new ATOM 0 HA MET A 1 3.158 5.911 16.051 1.00 72.44 H new ATOM 0 HB2 MET A 1 1.630 7.585 13.998 1.00 54.00 H new ATOM 0 HB3 MET A 1 1.066 7.154 15.600 1.00 54.00 H new ATOM 0 HG2 MET A 1 2.852 8.535 16.611 1.00 74.43 H new ATOM 0 HG3 MET A 1 3.442 8.953 15.014 1.00 74.43 H new ATOM 0 HE1 MET A 1 1.164 11.026 13.318 1.00 75.44 H new ATOM 0 HE2 MET A 1 1.396 9.263 13.251 1.00 75.44 H new ATOM 0 HE3 MET A 1 -0.190 9.935 13.696 1.00 75.44 H new ATOM 20 N LYS A 2 2.977 4.134 13.683 1.00 22.03 N ATOM 21 CA LYS A 2 2.551 3.141 12.671 1.00 24.33 C ATOM 22 C LYS A 2 2.256 3.859 11.327 1.00 13.24 C ATOM 23 O LYS A 2 1.401 4.755 11.237 1.00 4.04 O ATOM 24 CB LYS A 2 1.386 2.181 13.136 1.00 21.34 C ATOM 25 CG LYS A 2 -0.024 2.410 12.533 1.00 3.51 C ATOM 26 CD LYS A 2 -1.098 1.495 13.168 1.00 33.44 C ATOM 27 CE LYS A 2 -1.192 1.674 14.692 1.00 41.10 C ATOM 28 NZ LYS A 2 -1.410 3.096 15.076 1.00 3.24 N ATOM 0 H LYS A 2 3.985 4.115 13.840 1.00 22.03 H new ATOM 0 HA LYS A 2 3.386 2.455 12.525 1.00 24.33 H new ATOM 0 HB2 LYS A 2 1.685 1.158 12.909 1.00 21.34 H new ATOM 0 HB3 LYS A 2 1.303 2.256 14.220 1.00 21.34 H new ATOM 0 HG2 LYS A 2 -0.310 3.452 12.674 1.00 3.51 H new ATOM 0 HG3 LYS A 2 0.011 2.231 11.458 1.00 3.51 H new ATOM 0 HD2 LYS A 2 -2.067 1.711 12.719 1.00 33.44 H new ATOM 0 HD3 LYS A 2 -0.866 0.455 12.940 1.00 33.44 H new ATOM 0 HE2 LYS A 2 -2.009 1.065 15.078 1.00 41.10 H new ATOM 0 HE3 LYS A 2 -0.276 1.310 15.157 1.00 41.10 H new ATOM 0 HZ1 LYS A 2 -1.652 3.150 16.086 1.00 3.24 H new ATOM 0 HZ2 LYS A 2 -0.542 3.640 14.899 1.00 3.24 H new ATOM 0 HZ3 LYS A 2 -2.188 3.493 14.512 1.00 3.24 H new ATOM 42 N ILE A 3 3.066 3.514 10.314 1.00 61.13 N ATOM 43 CA ILE A 3 2.876 3.916 8.920 1.00 1.03 C ATOM 44 C ILE A 3 2.386 2.710 8.145 1.00 23.14 C ATOM 45 O ILE A 3 2.827 1.578 8.391 1.00 2.41 O ATOM 46 CB ILE A 3 4.207 4.478 8.291 1.00 23.12 C ATOM 47 CG1 ILE A 3 4.551 5.843 8.956 1.00 3.25 C ATOM 48 CG2 ILE A 3 4.137 4.598 6.744 1.00 10.22 C ATOM 49 CD1 ILE A 3 5.736 6.558 8.356 1.00 54.34 C ATOM 0 H ILE A 3 3.892 2.932 10.450 1.00 61.13 H new ATOM 0 HA ILE A 3 2.142 4.721 8.873 1.00 1.03 H new ATOM 0 HB ILE A 3 5.006 3.765 8.494 1.00 23.12 H new ATOM 0 HG12 ILE A 3 3.679 6.494 8.889 1.00 3.25 H new ATOM 0 HG13 ILE A 3 4.743 5.677 10.016 1.00 3.25 H new ATOM 0 HG21 ILE A 3 5.081 4.990 6.366 1.00 10.22 H new ATOM 0 HG22 ILE A 3 3.953 3.615 6.311 1.00 10.22 H new ATOM 0 HG23 ILE A 3 3.327 5.273 6.468 1.00 10.22 H new ATOM 0 HD11 ILE A 3 5.899 7.498 8.883 1.00 54.34 H new ATOM 0 HD12 ILE A 3 6.623 5.932 8.448 1.00 54.34 H new ATOM 0 HD13 ILE A 3 5.543 6.762 7.303 1.00 54.34 H new ATOM 61 N LEU A 4 1.458 2.956 7.216 1.00 43.24 N ATOM 62 CA LEU A 4 0.801 1.909 6.458 1.00 4.24 C ATOM 63 C LEU A 4 1.305 1.980 5.021 1.00 75.13 C ATOM 64 O LEU A 4 1.001 2.933 4.294 1.00 64.05 O ATOM 65 CB LEU A 4 -0.737 2.096 6.578 1.00 50.14 C ATOM 66 CG LEU A 4 -1.266 2.253 8.048 1.00 43.33 C ATOM 67 CD1 LEU A 4 -2.783 2.473 8.096 1.00 63.12 C ATOM 68 CD2 LEU A 4 -0.854 1.060 8.928 1.00 52.32 C ATOM 0 H LEU A 4 1.146 3.896 6.974 1.00 43.24 H new ATOM 0 HA LEU A 4 1.031 0.915 6.841 1.00 4.24 H new ATOM 0 HB2 LEU A 4 -1.028 2.977 6.006 1.00 50.14 H new ATOM 0 HB3 LEU A 4 -1.230 1.240 6.118 1.00 50.14 H new ATOM 0 HG LEU A 4 -0.796 3.148 8.455 1.00 43.33 H new ATOM 0 HD11 LEU A 4 -3.103 2.576 9.133 1.00 63.12 H new ATOM 0 HD12 LEU A 4 -3.037 3.379 7.546 1.00 63.12 H new ATOM 0 HD13 LEU A 4 -3.289 1.620 7.643 1.00 63.12 H new ATOM 0 HD21 LEU A 4 -1.238 1.203 9.938 1.00 52.32 H new ATOM 0 HD22 LEU A 4 -1.265 0.141 8.511 1.00 52.32 H new ATOM 0 HD23 LEU A 4 0.233 0.989 8.959 1.00 52.32 H new ATOM 80 N ILE A 5 2.142 1.002 4.650 1.00 72.32 N ATOM 81 CA ILE A 5 2.633 0.855 3.282 1.00 75.41 C ATOM 82 C ILE A 5 1.558 0.095 2.505 1.00 21.31 C ATOM 83 O ILE A 5 1.357 -1.102 2.726 1.00 74.02 O ATOM 84 CB ILE A 5 4.010 0.084 3.215 1.00 32.23 C ATOM 85 CG1 ILE A 5 5.066 0.697 4.196 1.00 73.34 C ATOM 86 CG2 ILE A 5 4.557 0.042 1.760 1.00 53.51 C ATOM 87 CD1 ILE A 5 5.503 2.119 3.888 1.00 12.02 C ATOM 0 H ILE A 5 2.495 0.293 5.293 1.00 72.32 H new ATOM 0 HA ILE A 5 2.819 1.839 2.853 1.00 75.41 H new ATOM 0 HB ILE A 5 3.825 -0.941 3.536 1.00 32.23 H new ATOM 0 HG12 ILE A 5 4.654 0.673 5.205 1.00 73.34 H new ATOM 0 HG13 ILE A 5 5.949 0.057 4.197 1.00 73.34 H new ATOM 0 HG21 ILE A 5 5.506 -0.495 1.743 1.00 53.51 H new ATOM 0 HG22 ILE A 5 3.840 -0.468 1.116 1.00 53.51 H new ATOM 0 HG23 ILE A 5 4.709 1.059 1.399 1.00 53.51 H new ATOM 0 HD11 ILE A 5 6.234 2.443 4.628 1.00 12.02 H new ATOM 0 HD12 ILE A 5 5.952 2.155 2.895 1.00 12.02 H new ATOM 0 HD13 ILE A 5 4.637 2.781 3.919 1.00 12.02 H new ATOM 99 N LEU A 6 0.832 0.802 1.647 1.00 44.41 N ATOM 100 CA LEU A 6 -0.276 0.221 0.889 1.00 54.44 C ATOM 101 C LEU A 6 0.300 -0.262 -0.444 1.00 31.30 C ATOM 102 O LEU A 6 0.944 0.507 -1.152 1.00 73.12 O ATOM 103 CB LEU A 6 -1.408 1.280 0.683 1.00 14.45 C ATOM 104 CG LEU A 6 -2.880 0.747 0.506 1.00 54.34 C ATOM 105 CD1 LEU A 6 -3.043 -0.278 -0.644 1.00 1.44 C ATOM 106 CD2 LEU A 6 -3.410 0.179 1.832 1.00 21.34 C ATOM 0 H LEU A 6 0.992 1.791 1.456 1.00 44.41 H new ATOM 0 HA LEU A 6 -0.728 -0.615 1.423 1.00 54.44 H new ATOM 0 HB2 LEU A 6 -1.396 1.956 1.538 1.00 14.45 H new ATOM 0 HB3 LEU A 6 -1.157 1.874 -0.196 1.00 14.45 H new ATOM 0 HG LEU A 6 -3.482 1.608 0.217 1.00 54.34 H new ATOM 0 HD11 LEU A 6 -4.084 -0.597 -0.702 1.00 1.44 H new ATOM 0 HD12 LEU A 6 -2.752 0.184 -1.587 1.00 1.44 H new ATOM 0 HD13 LEU A 6 -2.408 -1.143 -0.453 1.00 1.44 H new ATOM 0 HD21 LEU A 6 -4.428 -0.185 1.691 1.00 21.34 H new ATOM 0 HD22 LEU A 6 -2.772 -0.644 2.156 1.00 21.34 H new ATOM 0 HD23 LEU A 6 -3.406 0.962 2.591 1.00 21.34 H new ATOM 118 N ILE A 7 0.111 -1.543 -0.756 1.00 61.43 N ATOM 119 CA ILE A 7 0.540 -2.132 -2.030 1.00 53.11 C ATOM 120 C ILE A 7 -0.670 -2.786 -2.698 1.00 40.13 C ATOM 121 O ILE A 7 -1.308 -3.668 -2.114 1.00 63.01 O ATOM 122 CB ILE A 7 1.693 -3.185 -1.816 1.00 43.11 C ATOM 123 CG1 ILE A 7 2.909 -2.503 -1.110 1.00 15.14 C ATOM 124 CG2 ILE A 7 2.118 -3.851 -3.157 1.00 2.43 C ATOM 125 CD1 ILE A 7 4.041 -3.433 -0.756 1.00 70.34 C ATOM 0 H ILE A 7 -0.346 -2.207 -0.131 1.00 61.43 H new ATOM 0 HA ILE A 7 0.938 -1.346 -2.672 1.00 53.11 H new ATOM 0 HB ILE A 7 1.317 -3.981 -1.174 1.00 43.11 H new ATOM 0 HG12 ILE A 7 3.294 -1.717 -1.760 1.00 15.14 H new ATOM 0 HG13 ILE A 7 2.557 -2.019 -0.199 1.00 15.14 H new ATOM 0 HG21 ILE A 7 2.915 -4.571 -2.969 1.00 2.43 H new ATOM 0 HG22 ILE A 7 1.262 -4.363 -3.596 1.00 2.43 H new ATOM 0 HG23 ILE A 7 2.475 -3.086 -3.846 1.00 2.43 H new ATOM 0 HD11 ILE A 7 4.837 -2.869 -0.271 1.00 70.34 H new ATOM 0 HD12 ILE A 7 3.679 -4.206 -0.078 1.00 70.34 H new ATOM 0 HD13 ILE A 7 4.427 -3.898 -1.663 1.00 70.34 H new ATOM 137 N ASN A 8 -0.998 -2.321 -3.906 1.00 33.14 N ATOM 138 CA ASN A 8 -2.038 -2.916 -4.749 1.00 51.35 C ATOM 139 C ASN A 8 -1.377 -3.355 -6.048 1.00 73.23 C ATOM 140 O ASN A 8 -0.922 -2.512 -6.825 1.00 34.13 O ATOM 141 CB ASN A 8 -3.165 -1.888 -5.012 1.00 2.14 C ATOM 142 CG ASN A 8 -4.340 -2.441 -5.830 1.00 10.00 C ATOM 143 OD1 ASN A 8 -5.319 -2.946 -5.279 1.00 51.11 O ATOM 144 ND2 ASN A 8 -4.256 -2.343 -7.151 1.00 5.25 N ATOM 0 H ASN A 8 -0.544 -1.512 -4.331 1.00 33.14 H new ATOM 0 HA ASN A 8 -2.495 -3.775 -4.257 1.00 51.35 H new ATOM 0 HB2 ASN A 8 -3.541 -1.525 -4.056 1.00 2.14 H new ATOM 0 HB3 ASN A 8 -2.744 -1.030 -5.536 1.00 2.14 H new ATOM 0 HD21 ASN A 8 -5.015 -2.691 -7.737 1.00 5.25 H new ATOM 0 HD22 ASN A 8 -3.433 -1.920 -7.580 1.00 5.25 H new ATOM 151 N THR A 9 -1.317 -4.668 -6.272 1.00 30.32 N ATOM 152 CA THR A 9 -0.650 -5.261 -7.437 1.00 53.14 C ATOM 153 C THR A 9 -1.665 -6.042 -8.281 1.00 3.12 C ATOM 154 O THR A 9 -2.638 -6.599 -7.755 1.00 13.21 O ATOM 155 CB THR A 9 0.553 -6.181 -7.021 1.00 20.43 C ATOM 156 OG1 THR A 9 1.205 -6.711 -8.191 1.00 63.44 O ATOM 157 CG2 THR A 9 0.127 -7.341 -6.105 1.00 14.53 C ATOM 0 H THR A 9 -1.733 -5.358 -5.646 1.00 30.32 H new ATOM 0 HA THR A 9 -0.238 -4.448 -8.035 1.00 53.14 H new ATOM 0 HB THR A 9 1.244 -5.554 -6.458 1.00 20.43 H new ATOM 0 HG1 THR A 9 1.162 -7.690 -8.174 1.00 63.44 H new ATOM 0 HG21 THR A 9 0.999 -7.943 -5.850 1.00 14.53 H new ATOM 0 HG22 THR A 9 -0.317 -6.941 -5.193 1.00 14.53 H new ATOM 0 HG23 THR A 9 -0.604 -7.963 -6.621 1.00 14.53 H new ATOM 165 N ASN A 10 -1.441 -6.032 -9.599 1.00 23.43 N ATOM 166 CA ASN A 10 -2.263 -6.761 -10.579 1.00 61.43 C ATOM 167 C ASN A 10 -1.760 -8.219 -10.673 1.00 70.40 C ATOM 168 O ASN A 10 -2.536 -9.141 -10.923 1.00 44.43 O ATOM 169 CB ASN A 10 -2.178 -6.007 -11.950 1.00 15.50 C ATOM 170 CG ASN A 10 -3.050 -6.567 -13.099 1.00 65.22 C ATOM 171 OD1 ASN A 10 -3.217 -7.770 -13.259 1.00 42.25 O ATOM 172 ND2 ASN A 10 -3.608 -5.684 -13.921 1.00 63.52 N ATOM 0 H ASN A 10 -0.674 -5.511 -10.024 1.00 23.43 H new ATOM 0 HA ASN A 10 -3.310 -6.798 -10.278 1.00 61.43 H new ATOM 0 HB2 ASN A 10 -2.457 -4.966 -11.785 1.00 15.50 H new ATOM 0 HB3 ASN A 10 -1.138 -6.010 -12.278 1.00 15.50 H new ATOM 0 HD21 ASN A 10 -4.185 -6.005 -14.699 1.00 63.52 H new ATOM 0 HD22 ASN A 10 -3.459 -4.686 -13.774 1.00 63.52 H new ATOM 179 N ASN A 11 -0.452 -8.403 -10.427 1.00 31.33 N ATOM 180 CA ASN A 11 0.233 -9.704 -10.563 1.00 64.23 C ATOM 181 C ASN A 11 0.429 -10.370 -9.176 1.00 72.45 C ATOM 182 O ASN A 11 1.094 -9.811 -8.294 1.00 43.24 O ATOM 183 CB ASN A 11 1.583 -9.498 -11.293 1.00 32.31 C ATOM 184 CG ASN A 11 1.427 -8.868 -12.690 1.00 52.52 C ATOM 185 OD1 ASN A 11 0.404 -9.030 -13.365 1.00 41.45 O ATOM 186 ND2 ASN A 11 2.439 -8.150 -13.136 1.00 64.51 N ATOM 0 H ASN A 11 0.166 -7.649 -10.126 1.00 31.33 H new ATOM 0 HA ASN A 11 -0.383 -10.379 -11.157 1.00 64.23 H new ATOM 0 HB2 ASN A 11 2.225 -8.861 -10.684 1.00 32.31 H new ATOM 0 HB3 ASN A 11 2.087 -10.460 -11.389 1.00 32.31 H new ATOM 0 HD21 ASN A 11 2.388 -7.714 -14.057 1.00 64.51 H new ATOM 0 HD22 ASN A 11 3.273 -8.031 -12.560 1.00 64.51 H new ATOM 193 N ASP A 12 -0.156 -11.577 -9.022 1.00 32.20 N ATOM 194 CA ASP A 12 -0.250 -12.321 -7.737 1.00 41.33 C ATOM 195 C ASP A 12 1.100 -12.668 -7.098 1.00 35.30 C ATOM 196 O ASP A 12 1.233 -12.577 -5.875 1.00 35.33 O ATOM 197 CB ASP A 12 -1.044 -13.634 -7.937 1.00 5.30 C ATOM 198 CG ASP A 12 -2.486 -13.386 -8.387 1.00 23.13 C ATOM 199 OD1 ASP A 12 -3.344 -13.095 -7.531 1.00 34.01 O ATOM 200 OD2 ASP A 12 -2.767 -13.466 -9.594 1.00 23.43 O ATOM 0 H ASP A 12 -0.587 -12.076 -9.800 1.00 32.20 H new ATOM 0 HA ASP A 12 -0.760 -11.641 -7.055 1.00 41.33 H new ATOM 0 HB2 ASP A 12 -0.537 -14.252 -8.678 1.00 5.30 H new ATOM 0 HB3 ASP A 12 -1.050 -14.197 -7.003 1.00 5.30 H new ATOM 205 N GLU A 13 2.089 -13.070 -7.916 1.00 63.10 N ATOM 206 CA GLU A 13 3.382 -13.580 -7.404 1.00 43.53 C ATOM 207 C GLU A 13 4.123 -12.505 -6.588 1.00 0.10 C ATOM 208 O GLU A 13 4.887 -12.828 -5.678 1.00 25.14 O ATOM 209 CB GLU A 13 4.273 -14.106 -8.554 1.00 1.54 C ATOM 210 CG GLU A 13 3.691 -15.322 -9.295 1.00 51.34 C ATOM 211 CD GLU A 13 4.610 -15.828 -10.419 1.00 14.31 C ATOM 212 OE1 GLU A 13 5.681 -16.392 -10.112 1.00 71.04 O ATOM 213 OE2 GLU A 13 4.278 -15.656 -11.611 1.00 24.21 O ATOM 0 H GLU A 13 2.022 -13.053 -8.934 1.00 63.10 H new ATOM 0 HA GLU A 13 3.163 -14.415 -6.739 1.00 43.53 H new ATOM 0 HB2 GLU A 13 4.435 -13.301 -9.271 1.00 1.54 H new ATOM 0 HB3 GLU A 13 5.249 -14.374 -8.149 1.00 1.54 H new ATOM 0 HG2 GLU A 13 3.518 -16.128 -8.582 1.00 51.34 H new ATOM 0 HG3 GLU A 13 2.722 -15.056 -9.716 1.00 51.34 H new ATOM 220 N LEU A 14 3.837 -11.230 -6.885 1.00 52.54 N ATOM 221 CA LEU A 14 4.435 -10.092 -6.169 1.00 74.41 C ATOM 222 C LEU A 14 3.979 -10.041 -4.720 1.00 1.51 C ATOM 223 O LEU A 14 4.749 -9.641 -3.868 1.00 20.05 O ATOM 224 CB LEU A 14 4.148 -8.742 -6.875 1.00 11.45 C ATOM 225 CG LEU A 14 5.024 -8.473 -8.127 1.00 64.22 C ATOM 226 CD1 LEU A 14 6.526 -8.449 -7.760 1.00 2.34 C ATOM 227 CD2 LEU A 14 4.724 -9.487 -9.248 1.00 1.21 C ATOM 0 H LEU A 14 3.189 -10.958 -7.624 1.00 52.54 H new ATOM 0 HA LEU A 14 5.513 -10.250 -6.183 1.00 74.41 H new ATOM 0 HB2 LEU A 14 3.099 -8.716 -7.169 1.00 11.45 H new ATOM 0 HB3 LEU A 14 4.299 -7.933 -6.160 1.00 11.45 H new ATOM 0 HG LEU A 14 4.767 -7.486 -8.511 1.00 64.22 H new ATOM 0 HD11 LEU A 14 7.117 -8.259 -8.656 1.00 2.34 H new ATOM 0 HD12 LEU A 14 6.710 -7.661 -7.030 1.00 2.34 H new ATOM 0 HD13 LEU A 14 6.812 -9.411 -7.335 1.00 2.34 H new ATOM 0 HD21 LEU A 14 5.354 -9.272 -10.111 1.00 1.21 H new ATOM 0 HD22 LEU A 14 4.930 -10.496 -8.891 1.00 1.21 H new ATOM 0 HD23 LEU A 14 3.675 -9.411 -9.536 1.00 1.21 H new ATOM 239 N ILE A 15 2.734 -10.468 -4.454 1.00 20.13 N ATOM 240 CA ILE A 15 2.213 -10.559 -3.083 1.00 33.41 C ATOM 241 C ILE A 15 3.121 -11.485 -2.252 1.00 61.03 C ATOM 242 O ILE A 15 3.796 -11.011 -1.344 1.00 14.33 O ATOM 243 CB ILE A 15 0.729 -11.080 -3.047 1.00 35.12 C ATOM 244 CG1 ILE A 15 -0.199 -10.160 -3.897 1.00 22.33 C ATOM 245 CG2 ILE A 15 0.212 -11.208 -1.583 1.00 30.33 C ATOM 246 CD1 ILE A 15 -1.610 -10.682 -4.085 1.00 74.51 C ATOM 0 H ILE A 15 2.070 -10.756 -5.173 1.00 20.13 H new ATOM 0 HA ILE A 15 2.212 -9.556 -2.656 1.00 33.41 H new ATOM 0 HB ILE A 15 0.710 -12.077 -3.488 1.00 35.12 H new ATOM 0 HG12 ILE A 15 -0.249 -9.180 -3.423 1.00 22.33 H new ATOM 0 HG13 ILE A 15 0.254 -10.017 -4.878 1.00 22.33 H new ATOM 0 HG21 ILE A 15 -0.816 -11.570 -1.591 1.00 30.33 H new ATOM 0 HG22 ILE A 15 0.840 -11.911 -1.035 1.00 30.33 H new ATOM 0 HG23 ILE A 15 0.250 -10.233 -1.097 1.00 30.33 H new ATOM 0 HD11 ILE A 15 -2.182 -9.977 -4.688 1.00 74.51 H new ATOM 0 HD12 ILE A 15 -1.577 -11.647 -4.590 1.00 74.51 H new ATOM 0 HD13 ILE A 15 -2.088 -10.798 -3.112 1.00 74.51 H new ATOM 258 N LYS A 16 3.215 -12.770 -2.673 1.00 14.01 N ATOM 259 CA LYS A 16 3.923 -13.827 -1.912 1.00 34.43 C ATOM 260 C LYS A 16 5.434 -13.516 -1.736 1.00 2.14 C ATOM 261 O LYS A 16 6.036 -13.888 -0.723 1.00 2.12 O ATOM 262 CB LYS A 16 3.706 -15.220 -2.576 1.00 23.35 C ATOM 263 CG LYS A 16 4.310 -15.377 -3.991 1.00 62.11 C ATOM 264 CD LYS A 16 4.058 -16.775 -4.615 1.00 33.14 C ATOM 265 CE LYS A 16 2.586 -17.024 -4.973 1.00 1.54 C ATOM 266 NZ LYS A 16 2.351 -18.418 -5.439 1.00 42.23 N ATOM 0 H LYS A 16 2.804 -13.101 -3.546 1.00 14.01 H new ATOM 0 HA LYS A 16 3.491 -13.851 -0.911 1.00 34.43 H new ATOM 0 HB2 LYS A 16 4.136 -15.984 -1.928 1.00 23.35 H new ATOM 0 HB3 LYS A 16 2.635 -15.415 -2.632 1.00 23.35 H new ATOM 0 HG2 LYS A 16 3.888 -14.614 -4.645 1.00 62.11 H new ATOM 0 HG3 LYS A 16 5.384 -15.197 -3.942 1.00 62.11 H new ATOM 0 HD2 LYS A 16 4.666 -16.879 -5.514 1.00 33.14 H new ATOM 0 HD3 LYS A 16 4.389 -17.542 -3.916 1.00 33.14 H new ATOM 0 HE2 LYS A 16 1.963 -16.824 -4.102 1.00 1.54 H new ATOM 0 HE3 LYS A 16 2.280 -16.325 -5.752 1.00 1.54 H new ATOM 0 HZ1 LYS A 16 1.345 -18.542 -5.670 1.00 42.23 H new ATOM 0 HZ2 LYS A 16 2.926 -18.602 -6.286 1.00 42.23 H new ATOM 0 HZ3 LYS A 16 2.618 -19.085 -4.687 1.00 42.23 H new ATOM 280 N LYS A 17 6.026 -12.823 -2.725 1.00 42.52 N ATOM 281 CA LYS A 17 7.433 -12.370 -2.666 1.00 22.42 C ATOM 282 C LYS A 17 7.617 -11.190 -1.666 1.00 24.12 C ATOM 283 O LYS A 17 8.461 -11.268 -0.755 1.00 55.04 O ATOM 284 CB LYS A 17 7.911 -11.994 -4.093 1.00 31.30 C ATOM 285 CG LYS A 17 7.917 -13.194 -5.076 1.00 34.42 C ATOM 286 CD LYS A 17 8.298 -12.800 -6.520 1.00 74.14 C ATOM 287 CE LYS A 17 9.731 -12.270 -6.625 1.00 45.15 C ATOM 288 NZ LYS A 17 10.734 -13.267 -6.169 1.00 34.34 N ATOM 0 H LYS A 17 5.547 -12.560 -3.586 1.00 42.52 H new ATOM 0 HA LYS A 17 8.051 -13.186 -2.292 1.00 22.42 H new ATOM 0 HB2 LYS A 17 7.265 -11.211 -4.490 1.00 31.30 H new ATOM 0 HB3 LYS A 17 8.916 -11.577 -4.034 1.00 31.30 H new ATOM 0 HG2 LYS A 17 8.618 -13.947 -4.715 1.00 34.42 H new ATOM 0 HG3 LYS A 17 6.929 -13.655 -5.081 1.00 34.42 H new ATOM 0 HD2 LYS A 17 8.186 -13.667 -7.171 1.00 74.14 H new ATOM 0 HD3 LYS A 17 7.605 -12.039 -6.880 1.00 74.14 H new ATOM 0 HE2 LYS A 17 9.940 -11.994 -7.659 1.00 45.15 H new ATOM 0 HE3 LYS A 17 9.826 -11.363 -6.028 1.00 45.15 H new ATOM 0 HZ1 LYS A 17 11.688 -12.944 -6.429 1.00 34.34 H new ATOM 0 HZ2 LYS A 17 10.673 -13.373 -5.136 1.00 34.34 H new ATOM 0 HZ3 LYS A 17 10.544 -14.183 -6.623 1.00 34.34 H new ATOM 302 N ILE A 18 6.781 -10.134 -1.815 1.00 73.12 N ATOM 303 CA ILE A 18 6.812 -8.923 -0.945 1.00 13.05 C ATOM 304 C ILE A 18 6.534 -9.291 0.535 1.00 33.12 C ATOM 305 O ILE A 18 7.099 -8.670 1.444 1.00 1.25 O ATOM 306 CB ILE A 18 5.786 -7.819 -1.446 1.00 11.54 C ATOM 307 CG1 ILE A 18 6.259 -7.210 -2.810 1.00 74.11 C ATOM 308 CG2 ILE A 18 5.561 -6.700 -0.400 1.00 23.43 C ATOM 309 CD1 ILE A 18 5.248 -6.300 -3.496 1.00 2.31 C ATOM 0 H ILE A 18 6.065 -10.093 -2.540 1.00 73.12 H new ATOM 0 HA ILE A 18 7.816 -8.503 -1.011 1.00 13.05 H new ATOM 0 HB ILE A 18 4.827 -8.317 -1.590 1.00 11.54 H new ATOM 0 HG12 ILE A 18 7.176 -6.646 -2.640 1.00 74.11 H new ATOM 0 HG13 ILE A 18 6.508 -8.026 -3.488 1.00 74.11 H new ATOM 0 HG21 ILE A 18 4.851 -5.972 -0.793 1.00 23.43 H new ATOM 0 HG22 ILE A 18 5.164 -7.134 0.518 1.00 23.43 H new ATOM 0 HG23 ILE A 18 6.509 -6.205 -0.187 1.00 23.43 H new ATOM 0 HD11 ILE A 18 5.668 -5.929 -4.431 1.00 2.31 H new ATOM 0 HD12 ILE A 18 4.337 -6.861 -3.705 1.00 2.31 H new ATOM 0 HD13 ILE A 18 5.015 -5.458 -2.844 1.00 2.31 H new ATOM 321 N LYS A 19 5.698 -10.346 0.737 1.00 21.31 N ATOM 322 CA LYS A 19 5.364 -10.918 2.066 1.00 31.22 C ATOM 323 C LYS A 19 6.627 -11.078 2.931 1.00 33.51 C ATOM 324 O LYS A 19 6.683 -10.593 4.056 1.00 5.11 O ATOM 325 CB LYS A 19 4.666 -12.311 1.896 1.00 74.43 C ATOM 326 CG LYS A 19 3.210 -12.270 1.370 1.00 74.12 C ATOM 327 CD LYS A 19 2.186 -11.794 2.411 1.00 25.51 C ATOM 328 CE LYS A 19 2.013 -12.803 3.550 1.00 23.10 C ATOM 329 NZ LYS A 19 1.096 -12.302 4.600 1.00 53.42 N ATOM 0 H LYS A 19 5.232 -10.828 -0.032 1.00 21.31 H new ATOM 0 HA LYS A 19 4.684 -10.229 2.567 1.00 31.22 H new ATOM 0 HB2 LYS A 19 5.263 -12.916 1.213 1.00 74.43 H new ATOM 0 HB3 LYS A 19 4.671 -12.820 2.860 1.00 74.43 H new ATOM 0 HG2 LYS A 19 3.166 -11.611 0.503 1.00 74.12 H new ATOM 0 HG3 LYS A 19 2.929 -13.266 1.028 1.00 74.12 H new ATOM 0 HD2 LYS A 19 2.505 -10.836 2.821 1.00 25.51 H new ATOM 0 HD3 LYS A 19 1.225 -11.628 1.924 1.00 25.51 H new ATOM 0 HE2 LYS A 19 1.627 -13.740 3.149 1.00 23.10 H new ATOM 0 HE3 LYS A 19 2.985 -13.021 3.992 1.00 23.10 H new ATOM 0 HZ1 LYS A 19 1.149 -12.923 5.433 1.00 53.42 H new ATOM 0 HZ2 LYS A 19 1.372 -11.336 4.870 1.00 53.42 H new ATOM 0 HZ3 LYS A 19 0.122 -12.295 4.236 1.00 53.42 H new ATOM 343 N LYS A 20 7.659 -11.699 2.332 1.00 4.53 N ATOM 344 CA LYS A 20 8.929 -11.995 3.013 1.00 44.20 C ATOM 345 C LYS A 20 9.870 -10.774 2.998 1.00 2.32 C ATOM 346 O LYS A 20 10.512 -10.484 4.020 1.00 62.24 O ATOM 347 CB LYS A 20 9.599 -13.246 2.381 1.00 22.24 C ATOM 348 CG LYS A 20 8.752 -14.533 2.523 1.00 71.41 C ATOM 349 CD LYS A 20 8.449 -14.885 4.004 1.00 64.41 C ATOM 350 CE LYS A 20 7.487 -16.074 4.154 1.00 30.31 C ATOM 351 NZ LYS A 20 7.187 -16.357 5.587 1.00 44.54 N ATOM 0 H LYS A 20 7.634 -12.009 1.361 1.00 4.53 H new ATOM 0 HA LYS A 20 8.717 -12.218 4.059 1.00 44.20 H new ATOM 0 HB2 LYS A 20 9.783 -13.056 1.324 1.00 22.24 H new ATOM 0 HB3 LYS A 20 10.570 -13.405 2.850 1.00 22.24 H new ATOM 0 HG2 LYS A 20 7.813 -14.408 1.983 1.00 71.41 H new ATOM 0 HG3 LYS A 20 9.280 -15.365 2.056 1.00 71.41 H new ATOM 0 HD2 LYS A 20 9.384 -15.114 4.516 1.00 64.41 H new ATOM 0 HD3 LYS A 20 8.020 -14.013 4.498 1.00 64.41 H new ATOM 0 HE2 LYS A 20 6.560 -15.862 3.622 1.00 30.31 H new ATOM 0 HE3 LYS A 20 7.925 -16.958 3.691 1.00 30.31 H new ATOM 0 HZ1 LYS A 20 6.328 -16.939 5.653 1.00 44.54 H new ATOM 0 HZ2 LYS A 20 7.985 -16.868 6.014 1.00 44.54 H new ATOM 0 HZ3 LYS A 20 7.038 -15.461 6.094 1.00 44.54 H new ATOM 365 N GLU A 21 9.920 -10.056 1.843 1.00 64.21 N ATOM 366 CA GLU A 21 10.758 -8.828 1.665 1.00 5.32 C ATOM 367 C GLU A 21 10.605 -7.841 2.842 1.00 13.44 C ATOM 368 O GLU A 21 11.587 -7.248 3.306 1.00 11.25 O ATOM 369 CB GLU A 21 10.406 -8.078 0.342 1.00 74.13 C ATOM 370 CG GLU A 21 10.656 -8.863 -0.956 1.00 32.12 C ATOM 371 CD GLU A 21 12.128 -9.236 -1.161 1.00 51.01 C ATOM 372 OE1 GLU A 21 12.918 -8.374 -1.593 1.00 51.44 O ATOM 373 OE2 GLU A 21 12.505 -10.399 -0.890 1.00 4.35 O ATOM 0 H GLU A 21 9.386 -10.307 1.011 1.00 64.21 H new ATOM 0 HA GLU A 21 11.790 -9.178 1.626 1.00 5.32 H new ATOM 0 HB2 GLU A 21 9.354 -7.793 0.376 1.00 74.13 H new ATOM 0 HB3 GLU A 21 10.985 -7.155 0.304 1.00 74.13 H new ATOM 0 HG2 GLU A 21 10.055 -9.773 -0.944 1.00 32.12 H new ATOM 0 HG3 GLU A 21 10.317 -8.268 -1.804 1.00 32.12 H new ATOM 380 N VAL A 22 9.358 -7.708 3.325 1.00 22.51 N ATOM 381 CA VAL A 22 8.984 -6.729 4.362 1.00 12.24 C ATOM 382 C VAL A 22 8.819 -7.370 5.761 1.00 23.12 C ATOM 383 O VAL A 22 8.924 -6.666 6.776 1.00 42.13 O ATOM 384 CB VAL A 22 7.671 -5.986 3.929 1.00 64.23 C ATOM 385 CG1 VAL A 22 7.818 -5.448 2.491 1.00 2.11 C ATOM 386 CG2 VAL A 22 6.420 -6.883 4.050 1.00 42.53 C ATOM 0 H VAL A 22 8.576 -8.280 3.006 1.00 22.51 H new ATOM 0 HA VAL A 22 9.801 -6.013 4.451 1.00 12.24 H new ATOM 0 HB VAL A 22 7.527 -5.150 4.614 1.00 64.23 H new ATOM 0 HG11 VAL A 22 6.902 -4.934 2.199 1.00 2.11 H new ATOM 0 HG12 VAL A 22 8.655 -4.751 2.447 1.00 2.11 H new ATOM 0 HG13 VAL A 22 8.001 -6.278 1.809 1.00 2.11 H new ATOM 0 HG21 VAL A 22 5.539 -6.322 3.739 1.00 42.53 H new ATOM 0 HG22 VAL A 22 6.537 -7.759 3.412 1.00 42.53 H new ATOM 0 HG23 VAL A 22 6.300 -7.202 5.085 1.00 42.53 H new ATOM 396 N GLU A 23 8.561 -8.701 5.797 1.00 13.12 N ATOM 397 CA GLU A 23 8.408 -9.474 7.060 1.00 75.12 C ATOM 398 C GLU A 23 9.669 -9.345 7.929 1.00 52.03 C ATOM 399 O GLU A 23 9.594 -9.027 9.127 1.00 33.31 O ATOM 400 CB GLU A 23 8.134 -10.978 6.757 1.00 24.13 C ATOM 401 CG GLU A 23 7.884 -11.865 7.997 1.00 1.11 C ATOM 402 CD GLU A 23 7.764 -13.357 7.649 1.00 13.01 C ATOM 403 OE1 GLU A 23 6.688 -13.795 7.205 1.00 64.30 O ATOM 404 OE2 GLU A 23 8.748 -14.104 7.808 1.00 33.22 O ATOM 0 H GLU A 23 8.453 -9.269 4.957 1.00 13.12 H new ATOM 0 HA GLU A 23 7.557 -9.062 7.603 1.00 75.12 H new ATOM 0 HB2 GLU A 23 7.267 -11.047 6.100 1.00 24.13 H new ATOM 0 HB3 GLU A 23 8.984 -11.382 6.207 1.00 24.13 H new ATOM 0 HG2 GLU A 23 8.699 -11.727 8.707 1.00 1.11 H new ATOM 0 HG3 GLU A 23 6.970 -11.538 8.493 1.00 1.11 H new ATOM 411 N ASN A 24 10.830 -9.549 7.278 1.00 22.52 N ATOM 412 CA ASN A 24 12.150 -9.498 7.937 1.00 63.33 C ATOM 413 C ASN A 24 12.548 -8.056 8.324 1.00 24.41 C ATOM 414 O ASN A 24 13.452 -7.863 9.134 1.00 2.03 O ATOM 415 CB ASN A 24 13.245 -10.121 7.030 1.00 71.31 C ATOM 416 CG ASN A 24 13.000 -11.599 6.706 1.00 3.33 C ATOM 417 OD1 ASN A 24 13.402 -12.489 7.455 1.00 65.02 O ATOM 418 ND2 ASN A 24 12.379 -11.871 5.572 1.00 12.43 N ATOM 0 H ASN A 24 10.880 -9.754 6.280 1.00 22.52 H new ATOM 0 HA ASN A 24 12.069 -10.082 8.854 1.00 63.33 H new ATOM 0 HB2 ASN A 24 13.299 -9.557 6.099 1.00 71.31 H new ATOM 0 HB3 ASN A 24 14.213 -10.020 7.521 1.00 71.31 H new ATOM 0 HD21 ASN A 24 12.221 -12.840 5.297 1.00 12.43 H new ATOM 0 HD22 ASN A 24 12.057 -11.112 4.972 1.00 12.43 H new ATOM 425 N GLN A 25 11.863 -7.048 7.739 1.00 73.24 N ATOM 426 CA GLN A 25 12.132 -5.612 8.003 1.00 30.31 C ATOM 427 C GLN A 25 11.279 -5.071 9.174 1.00 5.42 C ATOM 428 O GLN A 25 11.327 -3.868 9.480 1.00 25.32 O ATOM 429 CB GLN A 25 11.869 -4.785 6.716 1.00 31.12 C ATOM 430 CG GLN A 25 12.752 -5.169 5.514 1.00 64.10 C ATOM 431 CD GLN A 25 14.241 -4.915 5.743 1.00 41.21 C ATOM 432 OE1 GLN A 25 14.746 -3.825 5.471 1.00 22.31 O ATOM 433 NE2 GLN A 25 14.956 -5.917 6.234 1.00 11.03 N ATOM 0 H GLN A 25 11.108 -7.204 7.071 1.00 73.24 H new ATOM 0 HA GLN A 25 13.178 -5.514 8.293 1.00 30.31 H new ATOM 0 HB2 GLN A 25 10.823 -4.901 6.433 1.00 31.12 H new ATOM 0 HB3 GLN A 25 12.023 -3.730 6.941 1.00 31.12 H new ATOM 0 HG2 GLN A 25 12.603 -6.225 5.287 1.00 64.10 H new ATOM 0 HG3 GLN A 25 12.426 -4.606 4.640 1.00 64.10 H new ATOM 0 HE21 GLN A 25 14.507 -6.807 6.449 1.00 11.03 H new ATOM 0 HE22 GLN A 25 15.956 -5.798 6.397 1.00 11.03 H new ATOM 442 N GLY A 26 10.510 -5.965 9.823 1.00 73.05 N ATOM 443 CA GLY A 26 9.673 -5.595 10.970 1.00 5.14 C ATOM 444 C GLY A 26 8.379 -4.886 10.581 1.00 4.50 C ATOM 445 O GLY A 26 7.811 -4.135 11.380 1.00 13.25 O ATOM 0 H GLY A 26 10.454 -6.951 9.568 1.00 73.05 H new ATOM 0 HA2 GLY A 26 9.428 -6.494 11.535 1.00 5.14 H new ATOM 0 HA3 GLY A 26 10.247 -4.948 11.633 1.00 5.14 H new ATOM 449 N TYR A 27 7.925 -5.103 9.340 1.00 51.22 N ATOM 450 CA TYR A 27 6.634 -4.592 8.851 1.00 23.44 C ATOM 451 C TYR A 27 5.607 -5.724 8.938 1.00 72.14 C ATOM 452 O TYR A 27 5.716 -6.723 8.213 1.00 52.11 O ATOM 453 CB TYR A 27 6.762 -4.035 7.397 1.00 4.30 C ATOM 454 CG TYR A 27 7.441 -2.654 7.324 1.00 24.22 C ATOM 455 CD1 TYR A 27 8.778 -2.484 7.699 1.00 75.44 C ATOM 456 CD2 TYR A 27 6.730 -1.512 6.930 1.00 3.41 C ATOM 457 CE1 TYR A 27 9.380 -1.238 7.676 1.00 71.15 C ATOM 458 CE2 TYR A 27 7.329 -0.262 6.916 1.00 2.31 C ATOM 459 CZ TYR A 27 8.650 -0.131 7.288 1.00 60.43 C ATOM 460 OH TYR A 27 9.231 1.119 7.303 1.00 62.54 O ATOM 0 H TYR A 27 8.443 -5.639 8.643 1.00 51.22 H new ATOM 0 HA TYR A 27 6.305 -3.758 9.470 1.00 23.44 H new ATOM 0 HB2 TYR A 27 7.331 -4.743 6.794 1.00 4.30 H new ATOM 0 HB3 TYR A 27 5.768 -3.966 6.954 1.00 4.30 H new ATOM 0 HD1 TYR A 27 9.352 -3.343 8.013 1.00 75.44 H new ATOM 0 HD2 TYR A 27 5.696 -1.608 6.632 1.00 3.41 H new ATOM 0 HE1 TYR A 27 10.416 -1.131 7.960 1.00 71.15 H new ATOM 0 HE2 TYR A 27 6.763 0.607 6.615 1.00 2.31 H new ATOM 0 HH TYR A 27 9.984 1.137 6.677 1.00 62.54 H new ATOM 470 N GLN A 28 4.639 -5.573 9.867 1.00 44.22 N ATOM 471 CA GLN A 28 3.579 -6.565 10.096 1.00 63.30 C ATOM 472 C GLN A 28 2.655 -6.623 8.869 1.00 21.02 C ATOM 473 O GLN A 28 1.870 -5.697 8.638 1.00 14.04 O ATOM 474 CB GLN A 28 2.760 -6.223 11.371 1.00 55.04 C ATOM 475 CG GLN A 28 3.589 -6.103 12.670 1.00 41.35 C ATOM 476 CD GLN A 28 2.735 -5.849 13.926 1.00 64.53 C ATOM 477 OE1 GLN A 28 1.587 -6.290 14.014 1.00 50.33 O ATOM 478 NE2 GLN A 28 3.288 -5.145 14.905 1.00 31.03 N ATOM 0 H GLN A 28 4.575 -4.758 10.477 1.00 44.22 H new ATOM 0 HA GLN A 28 4.042 -7.540 10.248 1.00 63.30 H new ATOM 0 HB2 GLN A 28 2.235 -5.282 11.205 1.00 55.04 H new ATOM 0 HB3 GLN A 28 2.000 -6.991 11.513 1.00 55.04 H new ATOM 0 HG2 GLN A 28 4.163 -7.019 12.810 1.00 41.35 H new ATOM 0 HG3 GLN A 28 4.307 -5.291 12.559 1.00 41.35 H new ATOM 0 HE21 GLN A 28 4.240 -4.792 14.805 1.00 31.03 H new ATOM 0 HE22 GLN A 28 2.761 -4.956 15.758 1.00 31.03 H new ATOM 487 N VAL A 29 2.778 -7.701 8.081 1.00 50.31 N ATOM 488 CA VAL A 29 2.060 -7.838 6.809 1.00 1.11 C ATOM 489 C VAL A 29 0.596 -8.249 7.073 1.00 4.02 C ATOM 490 O VAL A 29 0.325 -9.225 7.770 1.00 11.04 O ATOM 491 CB VAL A 29 2.729 -8.879 5.825 1.00 35.13 C ATOM 492 CG1 VAL A 29 2.287 -8.613 4.366 1.00 61.30 C ATOM 493 CG2 VAL A 29 4.268 -8.885 5.956 1.00 65.11 C ATOM 0 H VAL A 29 3.375 -8.497 8.307 1.00 50.31 H new ATOM 0 HA VAL A 29 2.102 -6.864 6.322 1.00 1.11 H new ATOM 0 HB VAL A 29 2.383 -9.873 6.108 1.00 35.13 H new ATOM 0 HG11 VAL A 29 2.758 -9.340 3.705 1.00 61.30 H new ATOM 0 HG12 VAL A 29 1.203 -8.704 4.292 1.00 61.30 H new ATOM 0 HG13 VAL A 29 2.588 -7.607 4.072 1.00 61.30 H new ATOM 0 HG21 VAL A 29 4.689 -9.614 5.263 1.00 65.11 H new ATOM 0 HG22 VAL A 29 4.657 -7.894 5.722 1.00 65.11 H new ATOM 0 HG23 VAL A 29 4.545 -9.152 6.976 1.00 65.11 H new ATOM 503 N ARG A 30 -0.316 -7.465 6.532 1.00 63.45 N ATOM 504 CA ARG A 30 -1.761 -7.709 6.522 1.00 53.50 C ATOM 505 C ARG A 30 -2.230 -7.625 5.067 1.00 12.40 C ATOM 506 O ARG A 30 -1.578 -6.974 4.248 1.00 65.34 O ATOM 507 CB ARG A 30 -2.489 -6.641 7.394 1.00 12.11 C ATOM 508 CG ARG A 30 -2.338 -6.827 8.919 1.00 15.32 C ATOM 509 CD ARG A 30 -3.111 -8.051 9.434 1.00 60.32 C ATOM 510 NE ARG A 30 -4.548 -7.943 9.114 1.00 63.22 N ATOM 511 CZ ARG A 30 -5.357 -8.957 8.767 1.00 70.24 C ATOM 512 NH1 ARG A 30 -4.901 -10.202 8.684 1.00 61.10 N ATOM 513 NH2 ARG A 30 -6.628 -8.713 8.481 1.00 1.41 N ATOM 0 H ARG A 30 -0.066 -6.595 6.062 1.00 63.45 H new ATOM 0 HA ARG A 30 -1.991 -8.690 6.938 1.00 53.50 H new ATOM 0 HB2 ARG A 30 -2.110 -5.655 7.125 1.00 12.11 H new ATOM 0 HB3 ARG A 30 -3.550 -6.654 7.145 1.00 12.11 H new ATOM 0 HG2 ARG A 30 -1.282 -6.935 9.167 1.00 15.32 H new ATOM 0 HG3 ARG A 30 -2.695 -5.933 9.429 1.00 15.32 H new ATOM 0 HD2 ARG A 30 -2.703 -8.958 8.987 1.00 60.32 H new ATOM 0 HD3 ARG A 30 -2.981 -8.140 10.513 1.00 60.32 H new ATOM 0 HE ARG A 30 -4.965 -7.013 9.161 1.00 63.22 H new ATOM 0 HH11 ARG A 30 -3.921 -10.401 8.886 1.00 61.10 H new ATOM 0 HH12 ARG A 30 -5.531 -10.959 8.419 1.00 61.10 H new ATOM 0 HH21 ARG A 30 -6.987 -7.759 8.525 1.00 1.41 H new ATOM 0 HH22 ARG A 30 -7.247 -9.479 8.217 1.00 1.41 H new ATOM 527 N ASP A 31 -3.318 -8.325 4.731 1.00 21.33 N ATOM 528 CA ASP A 31 -3.961 -8.200 3.410 1.00 11.02 C ATOM 529 C ASP A 31 -5.477 -8.167 3.586 1.00 41.24 C ATOM 530 O ASP A 31 -6.028 -8.851 4.464 1.00 21.43 O ATOM 531 CB ASP A 31 -3.522 -9.321 2.422 1.00 0.14 C ATOM 532 CG ASP A 31 -4.041 -10.724 2.778 1.00 4.34 C ATOM 533 OD1 ASP A 31 -3.463 -11.369 3.678 1.00 12.24 O ATOM 534 OD2 ASP A 31 -5.023 -11.191 2.153 1.00 1.25 O ATOM 0 H ASP A 31 -3.777 -8.988 5.356 1.00 21.33 H new ATOM 0 HA ASP A 31 -3.632 -7.264 2.959 1.00 11.02 H new ATOM 0 HB2 ASP A 31 -3.869 -9.062 1.422 1.00 0.14 H new ATOM 0 HB3 ASP A 31 -2.433 -9.349 2.385 1.00 0.14 H new ATOM 539 N VAL A 32 -6.135 -7.353 2.755 1.00 45.23 N ATOM 540 CA VAL A 32 -7.568 -7.094 2.821 1.00 35.22 C ATOM 541 C VAL A 32 -8.172 -7.338 1.436 1.00 3.14 C ATOM 542 O VAL A 32 -7.777 -6.690 0.459 1.00 15.31 O ATOM 543 CB VAL A 32 -7.860 -5.616 3.288 1.00 3.31 C ATOM 544 CG1 VAL A 32 -9.375 -5.318 3.327 1.00 10.44 C ATOM 545 CG2 VAL A 32 -7.191 -5.315 4.654 1.00 42.30 C ATOM 0 H VAL A 32 -5.671 -6.846 2.001 1.00 45.23 H new ATOM 0 HA VAL A 32 -8.019 -7.765 3.552 1.00 35.22 H new ATOM 0 HB VAL A 32 -7.418 -4.949 2.548 1.00 3.31 H new ATOM 0 HG11 VAL A 32 -9.535 -4.290 3.653 1.00 10.44 H new ATOM 0 HG12 VAL A 32 -9.798 -5.453 2.332 1.00 10.44 H new ATOM 0 HG13 VAL A 32 -9.862 -6.000 4.024 1.00 10.44 H new ATOM 0 HG21 VAL A 32 -7.411 -4.289 4.948 1.00 42.30 H new ATOM 0 HG22 VAL A 32 -7.579 -6.000 5.408 1.00 42.30 H new ATOM 0 HG23 VAL A 32 -6.112 -5.444 4.567 1.00 42.30 H new ATOM 555 N ASN A 33 -9.089 -8.309 1.358 1.00 12.34 N ATOM 556 CA ASN A 33 -9.880 -8.595 0.141 1.00 61.01 C ATOM 557 C ASN A 33 -11.379 -8.623 0.488 1.00 72.44 C ATOM 558 O ASN A 33 -12.195 -9.174 -0.263 1.00 4.44 O ATOM 559 CB ASN A 33 -9.410 -9.925 -0.510 1.00 2.10 C ATOM 560 CG ASN A 33 -8.022 -9.819 -1.157 1.00 13.32 C ATOM 561 OD1 ASN A 33 -7.900 -9.479 -2.334 1.00 73.44 O ATOM 562 ND2 ASN A 33 -6.971 -10.098 -0.396 1.00 72.54 N ATOM 0 H ASN A 33 -9.310 -8.926 2.139 1.00 12.34 H new ATOM 0 HA ASN A 33 -9.721 -7.803 -0.591 1.00 61.01 H new ATOM 0 HB2 ASN A 33 -9.392 -10.708 0.248 1.00 2.10 H new ATOM 0 HB3 ASN A 33 -10.135 -10.229 -1.265 1.00 2.10 H new ATOM 0 HD21 ASN A 33 -6.030 -10.033 -0.783 1.00 72.54 H new ATOM 0 HD22 ASN A 33 -7.105 -10.377 0.576 1.00 72.54 H new ATOM 569 N ASP A 34 -11.733 -7.981 1.622 1.00 32.30 N ATOM 570 CA ASP A 34 -13.123 -7.860 2.096 1.00 14.35 C ATOM 571 C ASP A 34 -13.297 -6.559 2.909 1.00 0.25 C ATOM 572 O ASP A 34 -12.422 -6.193 3.698 1.00 52.52 O ATOM 573 CB ASP A 34 -13.492 -9.101 2.948 1.00 64.13 C ATOM 574 CG ASP A 34 -14.856 -8.978 3.639 1.00 5.51 C ATOM 575 OD1 ASP A 34 -15.894 -9.053 2.953 1.00 73.31 O ATOM 576 OD2 ASP A 34 -14.892 -8.779 4.859 1.00 41.11 O ATOM 0 H ASP A 34 -11.055 -7.530 2.237 1.00 32.30 H new ATOM 0 HA ASP A 34 -13.796 -7.814 1.239 1.00 14.35 H new ATOM 0 HB2 ASP A 34 -13.494 -9.984 2.309 1.00 64.13 H new ATOM 0 HB3 ASP A 34 -12.722 -9.256 3.704 1.00 64.13 H new ATOM 581 N SER A 35 -14.440 -5.881 2.707 1.00 41.15 N ATOM 582 CA SER A 35 -14.748 -4.579 3.335 1.00 74.35 C ATOM 583 C SER A 35 -14.963 -4.674 4.859 1.00 34.51 C ATOM 584 O SER A 35 -14.562 -3.763 5.591 1.00 3.50 O ATOM 585 CB SER A 35 -15.978 -3.962 2.646 1.00 35.23 C ATOM 586 OG SER A 35 -17.061 -4.879 2.587 1.00 34.23 O ATOM 0 H SER A 35 -15.184 -6.222 2.098 1.00 41.15 H new ATOM 0 HA SER A 35 -13.879 -3.935 3.197 1.00 74.35 H new ATOM 0 HB2 SER A 35 -16.287 -3.067 3.186 1.00 35.23 H new ATOM 0 HB3 SER A 35 -15.711 -3.648 1.637 1.00 35.23 H new ATOM 0 HG SER A 35 -17.826 -4.454 2.145 1.00 34.23 H new ATOM 592 N ASP A 36 -15.590 -5.769 5.334 1.00 61.51 N ATOM 593 CA ASP A 36 -15.805 -6.005 6.788 1.00 53.24 C ATOM 594 C ASP A 36 -14.446 -6.165 7.513 1.00 25.21 C ATOM 595 O ASP A 36 -14.279 -5.720 8.659 1.00 1.44 O ATOM 596 CB ASP A 36 -16.718 -7.244 7.007 1.00 25.31 C ATOM 597 CG ASP A 36 -16.908 -7.624 8.490 1.00 21.40 C ATOM 598 OD1 ASP A 36 -17.756 -7.008 9.166 1.00 12.35 O ATOM 599 OD2 ASP A 36 -16.220 -8.545 8.983 1.00 24.15 O ATOM 0 H ASP A 36 -15.959 -6.508 4.736 1.00 61.51 H new ATOM 0 HA ASP A 36 -16.312 -5.140 7.217 1.00 53.24 H new ATOM 0 HB2 ASP A 36 -17.694 -7.047 6.564 1.00 25.31 H new ATOM 0 HB3 ASP A 36 -16.293 -8.095 6.475 1.00 25.31 H new ATOM 604 N GLU A 37 -13.475 -6.769 6.796 1.00 73.21 N ATOM 605 CA GLU A 37 -12.076 -6.870 7.250 1.00 34.30 C ATOM 606 C GLU A 37 -11.434 -5.472 7.340 1.00 44.04 C ATOM 607 O GLU A 37 -10.821 -5.147 8.350 1.00 10.04 O ATOM 608 CB GLU A 37 -11.248 -7.771 6.296 1.00 1.11 C ATOM 609 CG GLU A 37 -11.625 -9.259 6.339 1.00 1.22 C ATOM 610 CD GLU A 37 -11.329 -9.909 7.702 1.00 65.15 C ATOM 611 OE1 GLU A 37 -10.135 -10.087 8.037 1.00 12.02 O ATOM 612 OE2 GLU A 37 -12.275 -10.240 8.446 1.00 44.30 O ATOM 0 H GLU A 37 -13.641 -7.200 5.886 1.00 73.21 H new ATOM 0 HA GLU A 37 -12.078 -7.323 8.241 1.00 34.30 H new ATOM 0 HB2 GLU A 37 -11.371 -7.407 5.276 1.00 1.11 H new ATOM 0 HB3 GLU A 37 -10.192 -7.669 6.546 1.00 1.11 H new ATOM 0 HG2 GLU A 37 -12.686 -9.367 6.112 1.00 1.22 H new ATOM 0 HG3 GLU A 37 -11.077 -9.791 5.561 1.00 1.22 H new ATOM 619 N LEU A 38 -11.630 -4.655 6.277 1.00 73.02 N ATOM 620 CA LEU A 38 -11.102 -3.265 6.173 1.00 1.01 C ATOM 621 C LEU A 38 -11.511 -2.407 7.381 1.00 75.14 C ATOM 622 O LEU A 38 -10.695 -1.669 7.943 1.00 2.20 O ATOM 623 CB LEU A 38 -11.599 -2.632 4.826 1.00 60.15 C ATOM 624 CG LEU A 38 -11.376 -1.080 4.583 1.00 70.41 C ATOM 625 CD1 LEU A 38 -11.176 -0.776 3.088 1.00 71.35 C ATOM 626 CD2 LEU A 38 -12.554 -0.219 5.119 1.00 64.24 C ATOM 0 H LEU A 38 -12.164 -4.942 5.457 1.00 73.02 H new ATOM 0 HA LEU A 38 -10.013 -3.299 6.176 1.00 1.01 H new ATOM 0 HB2 LEU A 38 -11.112 -3.167 4.011 1.00 60.15 H new ATOM 0 HB3 LEU A 38 -12.668 -2.829 4.743 1.00 60.15 H new ATOM 0 HG LEU A 38 -10.476 -0.815 5.138 1.00 70.41 H new ATOM 0 HD11 LEU A 38 -11.026 0.295 2.951 1.00 71.35 H new ATOM 0 HD12 LEU A 38 -10.303 -1.315 2.721 1.00 71.35 H new ATOM 0 HD13 LEU A 38 -12.058 -1.092 2.531 1.00 71.35 H new ATOM 0 HD21 LEU A 38 -12.351 0.835 4.928 1.00 64.24 H new ATOM 0 HD22 LEU A 38 -13.476 -0.509 4.614 1.00 64.24 H new ATOM 0 HD23 LEU A 38 -12.663 -0.378 6.192 1.00 64.24 H new ATOM 638 N LYS A 39 -12.786 -2.534 7.762 1.00 4.12 N ATOM 639 CA LYS A 39 -13.374 -1.804 8.894 1.00 74.24 C ATOM 640 C LYS A 39 -12.705 -2.226 10.223 1.00 12.42 C ATOM 641 O LYS A 39 -12.408 -1.381 11.080 1.00 62.53 O ATOM 642 CB LYS A 39 -14.905 -2.065 8.915 1.00 35.51 C ATOM 643 CG LYS A 39 -15.643 -1.586 7.639 1.00 30.41 C ATOM 644 CD LYS A 39 -17.108 -2.086 7.531 1.00 45.14 C ATOM 645 CE LYS A 39 -18.035 -1.506 8.611 1.00 31.32 C ATOM 646 NZ LYS A 39 -19.460 -1.889 8.387 1.00 61.32 N ATOM 0 H LYS A 39 -13.447 -3.152 7.290 1.00 4.12 H new ATOM 0 HA LYS A 39 -13.199 -0.734 8.777 1.00 74.24 H new ATOM 0 HB2 LYS A 39 -15.079 -3.133 9.044 1.00 35.51 H new ATOM 0 HB3 LYS A 39 -15.337 -1.565 9.782 1.00 35.51 H new ATOM 0 HG2 LYS A 39 -15.640 -0.496 7.617 1.00 30.41 H new ATOM 0 HG3 LYS A 39 -15.089 -1.924 6.763 1.00 30.41 H new ATOM 0 HD2 LYS A 39 -17.501 -1.826 6.548 1.00 45.14 H new ATOM 0 HD3 LYS A 39 -17.118 -3.174 7.600 1.00 45.14 H new ATOM 0 HE2 LYS A 39 -17.714 -1.858 9.592 1.00 31.32 H new ATOM 0 HE3 LYS A 39 -17.948 -0.419 8.618 1.00 31.32 H new ATOM 0 HZ1 LYS A 39 -20.052 -1.478 9.137 1.00 61.32 H new ATOM 0 HZ2 LYS A 39 -19.774 -1.531 7.462 1.00 61.32 H new ATOM 0 HZ3 LYS A 39 -19.548 -2.925 8.405 1.00 61.32 H new ATOM 660 N LYS A 40 -12.431 -3.540 10.354 1.00 15.23 N ATOM 661 CA LYS A 40 -11.801 -4.122 11.559 1.00 50.42 C ATOM 662 C LYS A 40 -10.289 -3.835 11.622 1.00 31.23 C ATOM 663 O LYS A 40 -9.702 -3.874 12.712 1.00 14.32 O ATOM 664 CB LYS A 40 -12.111 -5.640 11.676 1.00 10.43 C ATOM 665 CG LYS A 40 -13.609 -5.935 11.957 1.00 45.03 C ATOM 666 CD LYS A 40 -13.924 -7.403 12.345 1.00 3.30 C ATOM 667 CE LYS A 40 -13.749 -8.410 11.196 1.00 62.21 C ATOM 668 NZ LYS A 40 -12.327 -8.680 10.867 1.00 73.04 N ATOM 0 H LYS A 40 -12.639 -4.227 9.630 1.00 15.23 H new ATOM 0 HA LYS A 40 -12.243 -3.629 12.425 1.00 50.42 H new ATOM 0 HB2 LYS A 40 -11.816 -6.137 10.752 1.00 10.43 H new ATOM 0 HB3 LYS A 40 -11.506 -6.068 12.476 1.00 10.43 H new ATOM 0 HG2 LYS A 40 -13.948 -5.281 12.761 1.00 45.03 H new ATOM 0 HG3 LYS A 40 -14.188 -5.677 11.070 1.00 45.03 H new ATOM 0 HD2 LYS A 40 -13.276 -7.696 13.171 1.00 3.30 H new ATOM 0 HD3 LYS A 40 -14.950 -7.459 12.709 1.00 3.30 H new ATOM 0 HE2 LYS A 40 -14.237 -9.347 11.465 1.00 62.21 H new ATOM 0 HE3 LYS A 40 -14.255 -8.030 10.308 1.00 62.21 H new ATOM 0 HZ1 LYS A 40 -12.245 -9.618 10.426 1.00 73.04 H new ATOM 0 HZ2 LYS A 40 -11.980 -7.955 10.207 1.00 73.04 H new ATOM 0 HZ3 LYS A 40 -11.759 -8.656 11.738 1.00 73.04 H new ATOM 682 N GLU A 41 -9.663 -3.559 10.458 1.00 12.31 N ATOM 683 CA GLU A 41 -8.286 -3.035 10.408 1.00 10.21 C ATOM 684 C GLU A 41 -8.245 -1.684 11.133 1.00 43.53 C ATOM 685 O GLU A 41 -7.494 -1.508 12.089 1.00 55.22 O ATOM 686 CB GLU A 41 -7.791 -2.846 8.945 1.00 43.42 C ATOM 687 CG GLU A 41 -7.822 -4.109 8.076 1.00 51.04 C ATOM 688 CD GLU A 41 -6.972 -5.263 8.624 1.00 4.52 C ATOM 689 OE1 GLU A 41 -5.761 -5.316 8.337 1.00 12.12 O ATOM 690 OE2 GLU A 41 -7.514 -6.130 9.343 1.00 62.44 O ATOM 0 H GLU A 41 -10.091 -3.691 9.542 1.00 12.31 H new ATOM 0 HA GLU A 41 -7.628 -3.757 10.892 1.00 10.21 H new ATOM 0 HB2 GLU A 41 -8.403 -2.081 8.467 1.00 43.42 H new ATOM 0 HB3 GLU A 41 -6.769 -2.467 8.970 1.00 43.42 H new ATOM 0 HG2 GLU A 41 -8.854 -4.446 7.979 1.00 51.04 H new ATOM 0 HG3 GLU A 41 -7.473 -3.858 7.075 1.00 51.04 H new ATOM 697 N MET A 42 -9.151 -0.779 10.701 1.00 32.21 N ATOM 698 CA MET A 42 -9.217 0.618 11.179 1.00 42.12 C ATOM 699 C MET A 42 -9.486 0.717 12.688 1.00 4.35 C ATOM 700 O MET A 42 -9.126 1.723 13.314 1.00 23.43 O ATOM 701 CB MET A 42 -10.293 1.400 10.395 1.00 1.12 C ATOM 702 CG MET A 42 -9.995 1.487 8.904 1.00 71.11 C ATOM 703 SD MET A 42 -8.403 2.270 8.583 1.00 11.01 S ATOM 704 CE MET A 42 -8.179 1.906 6.852 1.00 55.51 C ATOM 0 H MET A 42 -9.863 -1.001 10.005 1.00 32.21 H new ATOM 0 HA MET A 42 -8.237 1.061 11.000 1.00 42.12 H new ATOM 0 HB2 MET A 42 -11.261 0.920 10.539 1.00 1.12 H new ATOM 0 HB3 MET A 42 -10.373 2.407 10.804 1.00 1.12 H new ATOM 0 HG2 MET A 42 -10.001 0.486 8.473 1.00 71.11 H new ATOM 0 HG3 MET A 42 -10.784 2.052 8.408 1.00 71.11 H new ATOM 0 HE1 MET A 42 -7.119 1.754 6.646 1.00 55.51 H new ATOM 0 HE2 MET A 42 -8.731 1.002 6.596 1.00 55.51 H new ATOM 0 HE3 MET A 42 -8.549 2.739 6.254 1.00 55.51 H new ATOM 714 N LYS A 43 -10.123 -0.331 13.254 1.00 1.35 N ATOM 715 CA LYS A 43 -10.280 -0.480 14.709 1.00 11.04 C ATOM 716 C LYS A 43 -8.892 -0.515 15.373 1.00 54.25 C ATOM 717 O LYS A 43 -8.576 0.340 16.185 1.00 50.04 O ATOM 718 CB LYS A 43 -11.064 -1.779 15.064 1.00 22.21 C ATOM 719 CG LYS A 43 -12.529 -1.809 14.584 1.00 50.30 C ATOM 720 CD LYS A 43 -13.232 -3.147 14.933 1.00 23.22 C ATOM 721 CE LYS A 43 -14.690 -3.204 14.449 1.00 4.55 C ATOM 722 NZ LYS A 43 -15.561 -2.211 15.131 1.00 13.51 N ATOM 0 H LYS A 43 -10.539 -1.091 12.715 1.00 1.35 H new ATOM 0 HA LYS A 43 -10.850 0.371 15.081 1.00 11.04 H new ATOM 0 HB2 LYS A 43 -10.539 -2.631 14.633 1.00 22.21 H new ATOM 0 HB3 LYS A 43 -11.049 -1.910 16.146 1.00 22.21 H new ATOM 0 HG2 LYS A 43 -13.076 -0.983 15.040 1.00 50.30 H new ATOM 0 HG3 LYS A 43 -12.560 -1.655 13.505 1.00 50.30 H new ATOM 0 HD2 LYS A 43 -12.675 -3.971 14.487 1.00 23.22 H new ATOM 0 HD3 LYS A 43 -13.208 -3.293 16.013 1.00 23.22 H new ATOM 0 HE2 LYS A 43 -14.719 -3.028 13.374 1.00 4.55 H new ATOM 0 HE3 LYS A 43 -15.086 -4.205 14.619 1.00 4.55 H new ATOM 0 HZ1 LYS A 43 -16.535 -2.304 14.779 1.00 13.51 H new ATOM 0 HZ2 LYS A 43 -15.545 -2.382 16.157 1.00 13.51 H new ATOM 0 HZ3 LYS A 43 -15.213 -1.251 14.935 1.00 13.51 H new ATOM 736 N LYS A 44 -8.053 -1.458 14.914 1.00 2.40 N ATOM 737 CA LYS A 44 -6.743 -1.766 15.528 1.00 64.23 C ATOM 738 C LYS A 44 -5.701 -0.680 15.227 1.00 24.42 C ATOM 739 O LYS A 44 -4.833 -0.393 16.058 1.00 4.00 O ATOM 740 CB LYS A 44 -6.257 -3.164 15.041 1.00 14.13 C ATOM 741 CG LYS A 44 -7.277 -4.286 15.312 1.00 53.32 C ATOM 742 CD LYS A 44 -7.659 -4.359 16.807 1.00 45.41 C ATOM 743 CE LYS A 44 -8.826 -5.306 17.081 1.00 14.42 C ATOM 744 NZ LYS A 44 -9.299 -5.178 18.489 1.00 62.15 N ATOM 0 H LYS A 44 -8.263 -2.035 14.100 1.00 2.40 H new ATOM 0 HA LYS A 44 -6.866 -1.788 16.611 1.00 64.23 H new ATOM 0 HB2 LYS A 44 -6.052 -3.118 13.972 1.00 14.13 H new ATOM 0 HB3 LYS A 44 -5.317 -3.408 15.536 1.00 14.13 H new ATOM 0 HG2 LYS A 44 -8.173 -4.116 14.715 1.00 53.32 H new ATOM 0 HG3 LYS A 44 -6.860 -5.242 14.995 1.00 53.32 H new ATOM 0 HD2 LYS A 44 -6.792 -4.684 17.382 1.00 45.41 H new ATOM 0 HD3 LYS A 44 -7.919 -3.361 17.159 1.00 45.41 H new ATOM 0 HE2 LYS A 44 -9.646 -5.086 16.397 1.00 14.42 H new ATOM 0 HE3 LYS A 44 -8.518 -6.334 16.889 1.00 14.42 H new ATOM 0 HZ1 LYS A 44 -10.164 -5.741 18.617 1.00 62.15 H new ATOM 0 HZ2 LYS A 44 -8.561 -5.524 19.136 1.00 62.15 H new ATOM 0 HZ3 LYS A 44 -9.502 -4.180 18.698 1.00 62.15 H new ATOM 758 N LEU A 45 -5.824 -0.070 14.040 1.00 61.42 N ATOM 759 CA LEU A 45 -4.960 1.035 13.597 1.00 1.21 C ATOM 760 C LEU A 45 -5.191 2.292 14.474 1.00 54.55 C ATOM 761 O LEU A 45 -4.270 3.077 14.684 1.00 71.13 O ATOM 762 CB LEU A 45 -5.225 1.340 12.093 1.00 5.21 C ATOM 763 CG LEU A 45 -4.999 0.151 11.095 1.00 42.13 C ATOM 764 CD1 LEU A 45 -5.449 0.519 9.662 1.00 25.23 C ATOM 765 CD2 LEU A 45 -3.539 -0.351 11.121 1.00 41.15 C ATOM 0 H LEU A 45 -6.532 -0.331 13.354 1.00 61.42 H new ATOM 0 HA LEU A 45 -3.917 0.741 13.711 1.00 1.21 H new ATOM 0 HB2 LEU A 45 -6.254 1.683 11.989 1.00 5.21 H new ATOM 0 HB3 LEU A 45 -4.581 2.167 11.792 1.00 5.21 H new ATOM 0 HG LEU A 45 -5.627 -0.674 11.432 1.00 42.13 H new ATOM 0 HD11 LEU A 45 -5.278 -0.328 8.998 1.00 25.23 H new ATOM 0 HD12 LEU A 45 -6.510 0.768 9.666 1.00 25.23 H new ATOM 0 HD13 LEU A 45 -4.877 1.377 9.310 1.00 25.23 H new ATOM 0 HD21 LEU A 45 -3.425 -1.174 10.416 1.00 41.15 H new ATOM 0 HD22 LEU A 45 -2.870 0.462 10.841 1.00 41.15 H new ATOM 0 HD23 LEU A 45 -3.291 -0.696 12.125 1.00 41.15 H new ATOM 777 N ALA A 46 -6.427 2.444 14.998 1.00 35.03 N ATOM 778 CA ALA A 46 -6.806 3.566 15.886 1.00 12.32 C ATOM 779 C ALA A 46 -6.653 3.197 17.378 1.00 11.54 C ATOM 780 O ALA A 46 -6.387 4.066 18.210 1.00 31.42 O ATOM 781 CB ALA A 46 -8.248 4.000 15.595 1.00 64.24 C ATOM 0 H ALA A 46 -7.191 1.792 14.817 1.00 35.03 H new ATOM 0 HA ALA A 46 -6.127 4.394 15.681 1.00 12.32 H new ATOM 0 HB1 ALA A 46 -8.519 4.826 16.253 1.00 64.24 H new ATOM 0 HB2 ALA A 46 -8.329 4.321 14.557 1.00 64.24 H new ATOM 0 HB3 ALA A 46 -8.922 3.162 15.769 1.00 64.24 H new ATOM 787 N GLU A 47 -6.831 1.901 17.708 1.00 32.42 N ATOM 788 CA GLU A 47 -6.697 1.389 19.096 1.00 61.05 C ATOM 789 C GLU A 47 -5.225 1.361 19.520 1.00 0.31 C ATOM 790 O GLU A 47 -4.914 1.458 20.707 1.00 72.44 O ATOM 791 CB GLU A 47 -7.319 -0.032 19.240 1.00 50.32 C ATOM 792 CG GLU A 47 -8.860 -0.070 19.277 1.00 34.22 C ATOM 793 CD GLU A 47 -9.411 -1.501 19.355 1.00 72.30 C ATOM 794 OE1 GLU A 47 -9.634 -2.123 18.299 1.00 41.15 O ATOM 795 OE2 GLU A 47 -9.596 -2.025 20.472 1.00 71.21 O ATOM 0 H GLU A 47 -7.070 1.180 17.027 1.00 32.42 H new ATOM 0 HA GLU A 47 -7.243 2.068 19.751 1.00 61.05 H new ATOM 0 HB2 GLU A 47 -6.976 -0.648 18.409 1.00 50.32 H new ATOM 0 HB3 GLU A 47 -6.938 -0.488 20.154 1.00 50.32 H new ATOM 0 HG2 GLU A 47 -9.214 0.499 20.136 1.00 34.22 H new ATOM 0 HG3 GLU A 47 -9.254 0.420 18.386 1.00 34.22 H new ATOM 802 N GLU A 48 -4.331 1.232 18.535 1.00 41.44 N ATOM 803 CA GLU A 48 -2.884 1.242 18.766 1.00 42.42 C ATOM 804 C GLU A 48 -2.332 2.615 18.364 1.00 11.14 C ATOM 805 O GLU A 48 -2.820 3.218 17.404 1.00 44.50 O ATOM 806 CB GLU A 48 -2.187 0.101 17.967 1.00 51.00 C ATOM 807 CG GLU A 48 -0.672 -0.050 18.236 1.00 3.13 C ATOM 808 CD GLU A 48 -0.363 -0.305 19.722 1.00 34.11 C ATOM 809 OE1 GLU A 48 -0.387 -1.471 20.153 1.00 74.05 O ATOM 810 OE2 GLU A 48 -0.138 0.675 20.470 1.00 74.11 O ATOM 0 H GLU A 48 -4.590 1.118 17.555 1.00 41.44 H new ATOM 0 HA GLU A 48 -2.680 1.065 19.822 1.00 42.42 H new ATOM 0 HB2 GLU A 48 -2.679 -0.842 18.204 1.00 51.00 H new ATOM 0 HB3 GLU A 48 -2.336 0.279 16.902 1.00 51.00 H new ATOM 0 HG2 GLU A 48 -0.280 -0.874 17.640 1.00 3.13 H new ATOM 0 HG3 GLU A 48 -0.156 0.853 17.910 1.00 3.13 H new ATOM 817 N LYS A 49 -1.338 3.118 19.119 1.00 73.45 N ATOM 818 CA LYS A 49 -0.664 4.407 18.831 1.00 5.44 C ATOM 819 C LYS A 49 0.869 4.255 18.812 1.00 65.23 C ATOM 820 O LYS A 49 1.579 5.215 18.476 1.00 22.52 O ATOM 821 CB LYS A 49 -1.091 5.491 19.861 1.00 14.32 C ATOM 822 CG LYS A 49 -2.592 5.853 19.829 1.00 5.03 C ATOM 823 CD LYS A 49 -3.029 6.467 18.479 1.00 75.35 C ATOM 824 CE LYS A 49 -4.544 6.702 18.402 1.00 60.14 C ATOM 825 NZ LYS A 49 -5.025 7.656 19.436 1.00 34.03 N ATOM 0 H LYS A 49 -0.976 2.645 19.947 1.00 73.45 H new ATOM 0 HA LYS A 49 -0.977 4.726 17.837 1.00 5.44 H new ATOM 0 HB2 LYS A 49 -0.836 5.143 20.862 1.00 14.32 H new ATOM 0 HB3 LYS A 49 -0.509 6.395 19.680 1.00 14.32 H new ATOM 0 HG2 LYS A 49 -3.182 4.957 20.024 1.00 5.03 H new ATOM 0 HG3 LYS A 49 -2.809 6.558 20.631 1.00 5.03 H new ATOM 0 HD2 LYS A 49 -2.510 7.414 18.329 1.00 75.35 H new ATOM 0 HD3 LYS A 49 -2.726 5.805 17.668 1.00 75.35 H new ATOM 0 HE2 LYS A 49 -4.800 7.083 17.413 1.00 60.14 H new ATOM 0 HE3 LYS A 49 -5.063 5.751 18.521 1.00 60.14 H new ATOM 0 HZ1 LYS A 49 -6.050 7.794 19.331 1.00 34.03 H new ATOM 0 HZ2 LYS A 49 -4.822 7.274 20.382 1.00 34.03 H new ATOM 0 HZ3 LYS A 49 -4.540 8.568 19.319 1.00 34.03 H new ATOM 839 N ASN A 50 1.376 3.046 19.158 1.00 23.33 N ATOM 840 CA ASN A 50 2.821 2.731 19.096 1.00 2.15 C ATOM 841 C ASN A 50 3.328 2.753 17.648 1.00 45.44 C ATOM 842 O ASN A 50 2.548 2.773 16.687 1.00 0.40 O ATOM 843 CB ASN A 50 3.160 1.357 19.763 1.00 21.25 C ATOM 844 CG ASN A 50 3.339 1.448 21.285 1.00 24.04 C ATOM 845 OD1 ASN A 50 4.396 1.856 21.765 1.00 63.54 O ATOM 846 ND2 ASN A 50 2.349 1.025 22.047 1.00 44.30 N ATOM 0 H ASN A 50 0.800 2.270 19.484 1.00 23.33 H new ATOM 0 HA ASN A 50 3.333 3.508 19.663 1.00 2.15 H new ATOM 0 HB2 ASN A 50 2.364 0.647 19.540 1.00 21.25 H new ATOM 0 HB3 ASN A 50 4.074 0.962 19.320 1.00 21.25 H new ATOM 0 HD21 ASN A 50 2.448 1.031 23.062 1.00 44.30 H new ATOM 0 HD22 ASN A 50 1.484 0.692 21.621 1.00 44.30 H new ATOM 853 N PHE A 51 4.653 2.689 17.523 1.00 13.44 N ATOM 854 CA PHE A 51 5.370 2.894 16.263 1.00 21.02 C ATOM 855 C PHE A 51 5.569 1.560 15.500 1.00 35.22 C ATOM 856 O PHE A 51 6.539 1.394 14.750 1.00 15.50 O ATOM 857 CB PHE A 51 6.723 3.592 16.586 1.00 71.44 C ATOM 858 CG PHE A 51 6.577 4.901 17.375 1.00 74.14 C ATOM 859 CD1 PHE A 51 6.275 6.093 16.726 1.00 63.13 C ATOM 860 CD2 PHE A 51 6.738 4.939 18.763 1.00 21.11 C ATOM 861 CE1 PHE A 51 6.140 7.279 17.423 1.00 51.23 C ATOM 862 CE2 PHE A 51 6.604 6.127 19.462 1.00 52.10 C ATOM 863 CZ PHE A 51 6.305 7.296 18.789 1.00 33.24 C ATOM 0 H PHE A 51 5.271 2.489 18.309 1.00 13.44 H new ATOM 0 HA PHE A 51 4.785 3.531 15.600 1.00 21.02 H new ATOM 0 HB2 PHE A 51 7.348 2.904 17.155 1.00 71.44 H new ATOM 0 HB3 PHE A 51 7.246 3.799 15.652 1.00 71.44 H new ATOM 0 HD1 PHE A 51 6.143 6.092 15.654 1.00 63.13 H new ATOM 0 HD2 PHE A 51 6.970 4.030 19.297 1.00 21.11 H new ATOM 0 HE1 PHE A 51 5.905 8.192 16.896 1.00 51.23 H new ATOM 0 HE2 PHE A 51 6.733 6.140 20.534 1.00 52.10 H new ATOM 0 HZ PHE A 51 6.201 8.222 19.335 1.00 33.24 H new ATOM 873 N GLU A 52 4.610 0.627 15.675 1.00 3.13 N ATOM 874 CA GLU A 52 4.621 -0.684 15.011 1.00 3.15 C ATOM 875 C GLU A 52 4.049 -0.554 13.592 1.00 2.12 C ATOM 876 O GLU A 52 2.827 -0.568 13.408 1.00 43.10 O ATOM 877 CB GLU A 52 3.806 -1.716 15.830 1.00 4.43 C ATOM 878 CG GLU A 52 4.300 -1.914 17.273 1.00 15.03 C ATOM 879 CD GLU A 52 3.536 -3.021 18.005 1.00 55.30 C ATOM 880 OE1 GLU A 52 3.923 -4.203 17.876 1.00 61.41 O ATOM 881 OE2 GLU A 52 2.542 -2.721 18.701 1.00 4.44 O ATOM 0 H GLU A 52 3.804 0.767 16.285 1.00 3.13 H new ATOM 0 HA GLU A 52 5.650 -1.037 14.947 1.00 3.15 H new ATOM 0 HB2 GLU A 52 2.763 -1.399 15.856 1.00 4.43 H new ATOM 0 HB3 GLU A 52 3.835 -2.676 15.314 1.00 4.43 H new ATOM 0 HG2 GLU A 52 5.363 -2.157 17.260 1.00 15.03 H new ATOM 0 HG3 GLU A 52 4.193 -0.979 17.822 1.00 15.03 H new ATOM 888 N LYS A 53 4.946 -0.431 12.604 1.00 75.35 N ATOM 889 CA LYS A 53 4.572 -0.171 11.203 1.00 35.50 C ATOM 890 C LYS A 53 3.915 -1.407 10.565 1.00 10.24 C ATOM 891 O LYS A 53 4.429 -2.533 10.668 1.00 12.24 O ATOM 892 CB LYS A 53 5.786 0.311 10.353 1.00 51.32 C ATOM 893 CG LYS A 53 7.126 -0.451 10.550 1.00 1.04 C ATOM 894 CD LYS A 53 8.044 0.178 11.627 1.00 73.12 C ATOM 895 CE LYS A 53 9.455 -0.428 11.612 1.00 72.12 C ATOM 896 NZ LYS A 53 9.442 -1.893 11.854 1.00 23.53 N ATOM 0 H LYS A 53 5.952 -0.509 12.752 1.00 75.35 H new ATOM 0 HA LYS A 53 3.841 0.638 11.214 1.00 35.50 H new ATOM 0 HB2 LYS A 53 5.510 0.247 9.300 1.00 51.32 H new ATOM 0 HB3 LYS A 53 5.959 1.364 10.574 1.00 51.32 H new ATOM 0 HG2 LYS A 53 6.910 -1.483 10.826 1.00 1.04 H new ATOM 0 HG3 LYS A 53 7.661 -0.480 9.601 1.00 1.04 H new ATOM 0 HD2 LYS A 53 8.110 1.253 11.462 1.00 73.12 H new ATOM 0 HD3 LYS A 53 7.599 0.033 12.611 1.00 73.12 H new ATOM 0 HE2 LYS A 53 9.925 -0.225 10.650 1.00 72.12 H new ATOM 0 HE3 LYS A 53 10.065 0.058 12.373 1.00 72.12 H new ATOM 0 HZ1 LYS A 53 10.411 -2.265 11.784 1.00 23.53 H new ATOM 0 HZ2 LYS A 53 9.065 -2.085 12.804 1.00 23.53 H new ATOM 0 HZ3 LYS A 53 8.841 -2.357 11.143 1.00 23.53 H new ATOM 910 N ILE A 54 2.762 -1.176 9.915 1.00 40.14 N ATOM 911 CA ILE A 54 1.955 -2.224 9.278 1.00 1.33 C ATOM 912 C ILE A 54 2.019 -2.029 7.752 1.00 14.01 C ATOM 913 O ILE A 54 2.130 -0.904 7.268 1.00 51.02 O ATOM 914 CB ILE A 54 0.446 -2.164 9.757 1.00 62.42 C ATOM 915 CG1 ILE A 54 0.323 -2.000 11.311 1.00 54.41 C ATOM 916 CG2 ILE A 54 -0.367 -3.392 9.275 1.00 53.41 C ATOM 917 CD1 ILE A 54 0.888 -3.140 12.141 1.00 42.01 C ATOM 0 H ILE A 54 2.361 -0.243 9.817 1.00 40.14 H new ATOM 0 HA ILE A 54 2.355 -3.198 9.560 1.00 1.33 H new ATOM 0 HB ILE A 54 0.018 -1.275 9.294 1.00 62.42 H new ATOM 0 HG12 ILE A 54 0.828 -1.079 11.602 1.00 54.41 H new ATOM 0 HG13 ILE A 54 -0.731 -1.879 11.563 1.00 54.41 H new ATOM 0 HG21 ILE A 54 -1.395 -3.308 9.627 1.00 53.41 H new ATOM 0 HG22 ILE A 54 -0.358 -3.430 8.186 1.00 53.41 H new ATOM 0 HG23 ILE A 54 0.080 -4.303 9.673 1.00 53.41 H new ATOM 0 HD11 ILE A 54 0.750 -2.922 13.200 1.00 42.01 H new ATOM 0 HD12 ILE A 54 0.369 -4.065 11.890 1.00 42.01 H new ATOM 0 HD13 ILE A 54 1.951 -3.252 11.929 1.00 42.01 H new ATOM 929 N LEU A 55 1.951 -3.125 7.004 1.00 45.50 N ATOM 930 CA LEU A 55 1.880 -3.094 5.537 1.00 15.14 C ATOM 931 C LEU A 55 0.564 -3.744 5.121 1.00 50.51 C ATOM 932 O LEU A 55 0.285 -4.862 5.527 1.00 55.02 O ATOM 933 CB LEU A 55 3.122 -3.808 4.927 1.00 13.13 C ATOM 934 CG LEU A 55 3.297 -3.691 3.363 1.00 42.42 C ATOM 935 CD1 LEU A 55 4.781 -3.668 2.970 1.00 62.30 C ATOM 936 CD2 LEU A 55 2.557 -4.809 2.593 1.00 42.32 C ATOM 0 H LEU A 55 1.943 -4.067 7.395 1.00 45.50 H new ATOM 0 HA LEU A 55 1.899 -2.072 5.160 1.00 15.14 H new ATOM 0 HB2 LEU A 55 4.016 -3.405 5.403 1.00 13.13 H new ATOM 0 HB3 LEU A 55 3.071 -4.865 5.188 1.00 13.13 H new ATOM 0 HG LEU A 55 2.840 -2.744 3.076 1.00 42.42 H new ATOM 0 HD11 LEU A 55 4.869 -3.587 1.887 1.00 62.30 H new ATOM 0 HD12 LEU A 55 5.268 -2.813 3.439 1.00 62.30 H new ATOM 0 HD13 LEU A 55 5.260 -4.588 3.305 1.00 62.30 H new ATOM 0 HD21 LEU A 55 2.713 -4.678 1.522 1.00 42.32 H new ATOM 0 HD22 LEU A 55 2.945 -5.780 2.900 1.00 42.32 H new ATOM 0 HD23 LEU A 55 1.491 -4.758 2.813 1.00 42.32 H new ATOM 948 N ILE A 56 -0.250 -3.033 4.326 1.00 62.12 N ATOM 949 CA ILE A 56 -1.567 -3.522 3.880 1.00 72.34 C ATOM 950 C ILE A 56 -1.520 -3.811 2.364 1.00 11.23 C ATOM 951 O ILE A 56 -1.335 -2.893 1.560 1.00 50.12 O ATOM 952 CB ILE A 56 -2.718 -2.479 4.180 1.00 34.14 C ATOM 953 CG1 ILE A 56 -2.738 -2.024 5.681 1.00 61.22 C ATOM 954 CG2 ILE A 56 -4.103 -3.037 3.752 1.00 12.53 C ATOM 955 CD1 ILE A 56 -3.127 -3.097 6.687 1.00 54.24 C ATOM 0 H ILE A 56 -0.016 -2.105 3.974 1.00 62.12 H new ATOM 0 HA ILE A 56 -1.790 -4.433 4.435 1.00 72.34 H new ATOM 0 HB ILE A 56 -2.503 -1.593 3.582 1.00 34.14 H new ATOM 0 HG12 ILE A 56 -1.749 -1.648 5.942 1.00 61.22 H new ATOM 0 HG13 ILE A 56 -3.432 -1.189 5.780 1.00 61.22 H new ATOM 0 HG21 ILE A 56 -4.875 -2.299 3.970 1.00 12.53 H new ATOM 0 HG22 ILE A 56 -4.095 -3.249 2.683 1.00 12.53 H new ATOM 0 HG23 ILE A 56 -4.312 -3.954 4.303 1.00 12.53 H new ATOM 0 HD11 ILE A 56 -3.109 -2.677 7.693 1.00 54.24 H new ATOM 0 HD12 ILE A 56 -4.130 -3.459 6.463 1.00 54.24 H new ATOM 0 HD13 ILE A 56 -2.421 -3.925 6.627 1.00 54.24 H new ATOM 967 N ILE A 57 -1.666 -5.091 1.997 1.00 4.54 N ATOM 968 CA ILE A 57 -1.815 -5.527 0.597 1.00 25.11 C ATOM 969 C ILE A 57 -3.318 -5.585 0.262 1.00 32.34 C ATOM 970 O ILE A 57 -4.082 -6.231 0.969 1.00 32.12 O ATOM 971 CB ILE A 57 -1.153 -6.944 0.351 1.00 12.13 C ATOM 972 CG1 ILE A 57 0.360 -6.914 0.736 1.00 3.44 C ATOM 973 CG2 ILE A 57 -1.348 -7.422 -1.115 1.00 41.20 C ATOM 974 CD1 ILE A 57 1.090 -8.247 0.636 1.00 61.44 C ATOM 0 H ILE A 57 -1.685 -5.861 2.666 1.00 4.54 H new ATOM 0 HA ILE A 57 -1.304 -4.814 -0.050 1.00 25.11 H new ATOM 0 HB ILE A 57 -1.658 -7.665 0.994 1.00 12.13 H new ATOM 0 HG12 ILE A 57 0.866 -6.194 0.093 1.00 3.44 H new ATOM 0 HG13 ILE A 57 0.449 -6.547 1.758 1.00 3.44 H new ATOM 0 HG21 ILE A 57 -0.880 -8.398 -1.245 1.00 41.20 H new ATOM 0 HG22 ILE A 57 -2.413 -7.498 -1.334 1.00 41.20 H new ATOM 0 HG23 ILE A 57 -0.888 -6.706 -1.796 1.00 41.20 H new ATOM 0 HD11 ILE A 57 2.132 -8.114 0.925 1.00 61.44 H new ATOM 0 HD12 ILE A 57 0.619 -8.971 1.301 1.00 61.44 H new ATOM 0 HD13 ILE A 57 1.042 -8.612 -0.390 1.00 61.44 H new ATOM 986 N SER A 58 -3.739 -4.888 -0.791 1.00 51.23 N ATOM 987 CA SER A 58 -5.109 -4.968 -1.315 1.00 52.43 C ATOM 988 C SER A 58 -5.024 -5.333 -2.796 1.00 1.32 C ATOM 989 O SER A 58 -4.060 -4.972 -3.469 1.00 55.01 O ATOM 990 CB SER A 58 -5.852 -3.625 -1.101 1.00 5.11 C ATOM 991 OG SER A 58 -7.186 -3.682 -1.586 1.00 51.23 O ATOM 0 H SER A 58 -3.139 -4.247 -1.311 1.00 51.23 H new ATOM 0 HA SER A 58 -5.678 -5.731 -0.784 1.00 52.43 H new ATOM 0 HB2 SER A 58 -5.861 -3.378 -0.039 1.00 5.11 H new ATOM 0 HB3 SER A 58 -5.313 -2.825 -1.610 1.00 5.11 H new ATOM 0 HG SER A 58 -7.298 -3.033 -2.312 1.00 51.23 H new ATOM 997 N ASN A 59 -6.000 -6.098 -3.287 1.00 61.32 N ATOM 998 CA ASN A 59 -6.091 -6.467 -4.722 1.00 2.10 C ATOM 999 C ASN A 59 -7.262 -5.747 -5.396 1.00 13.25 C ATOM 1000 O ASN A 59 -7.500 -5.918 -6.597 1.00 43.31 O ATOM 1001 CB ASN A 59 -6.247 -7.998 -4.867 1.00 74.33 C ATOM 1002 CG ASN A 59 -5.040 -8.764 -4.336 1.00 73.53 C ATOM 1003 OD1 ASN A 59 -4.095 -9.032 -5.070 1.00 43.41 O ATOM 1004 ND2 ASN A 59 -5.062 -9.125 -3.059 1.00 20.24 N ATOM 0 H ASN A 59 -6.751 -6.483 -2.714 1.00 61.32 H new ATOM 0 HA ASN A 59 -5.171 -6.156 -5.217 1.00 2.10 H new ATOM 0 HB2 ASN A 59 -7.141 -8.320 -4.333 1.00 74.33 H new ATOM 0 HB3 ASN A 59 -6.397 -8.246 -5.918 1.00 74.33 H new ATOM 0 HD21 ASN A 59 -4.277 -9.641 -2.661 1.00 20.24 H new ATOM 0 HD22 ASN A 59 -5.864 -8.886 -2.475 1.00 20.24 H new ATOM 1011 N ASP A 60 -7.986 -4.939 -4.612 1.00 31.31 N ATOM 1012 CA ASP A 60 -9.159 -4.196 -5.077 1.00 4.11 C ATOM 1013 C ASP A 60 -8.979 -2.698 -4.783 1.00 30.31 C ATOM 1014 O ASP A 60 -8.616 -2.310 -3.666 1.00 12.53 O ATOM 1015 CB ASP A 60 -10.444 -4.746 -4.409 1.00 3.02 C ATOM 1016 CG ASP A 60 -11.705 -3.978 -4.835 1.00 11.03 C ATOM 1017 OD1 ASP A 60 -12.143 -4.126 -5.994 1.00 41.51 O ATOM 1018 OD2 ASP A 60 -12.234 -3.194 -4.031 1.00 13.02 O ATOM 0 H ASP A 60 -7.770 -4.782 -3.627 1.00 31.31 H new ATOM 0 HA ASP A 60 -9.261 -4.325 -6.155 1.00 4.11 H new ATOM 0 HB2 ASP A 60 -10.560 -5.799 -4.665 1.00 3.02 H new ATOM 0 HB3 ASP A 60 -10.338 -4.691 -3.326 1.00 3.02 H new ATOM 1023 N LYS A 61 -9.275 -1.873 -5.797 1.00 41.44 N ATOM 1024 CA LYS A 61 -9.066 -0.418 -5.755 1.00 21.52 C ATOM 1025 C LYS A 61 -10.100 0.297 -4.869 1.00 14.43 C ATOM 1026 O LYS A 61 -9.806 1.370 -4.347 1.00 71.15 O ATOM 1027 CB LYS A 61 -9.110 0.177 -7.182 1.00 60.11 C ATOM 1028 CG LYS A 61 -8.031 -0.360 -8.150 1.00 22.53 C ATOM 1029 CD LYS A 61 -8.037 0.379 -9.512 1.00 61.34 C ATOM 1030 CE LYS A 61 -9.403 0.332 -10.220 1.00 70.43 C ATOM 1031 NZ LYS A 61 -9.840 -1.058 -10.511 1.00 30.44 N ATOM 0 H LYS A 61 -9.670 -2.200 -6.679 1.00 41.44 H new ATOM 0 HA LYS A 61 -8.081 -0.255 -5.317 1.00 21.52 H new ATOM 0 HB2 LYS A 61 -10.092 -0.021 -7.611 1.00 60.11 H new ATOM 0 HB3 LYS A 61 -9.006 1.260 -7.111 1.00 60.11 H new ATOM 0 HG2 LYS A 61 -7.049 -0.257 -7.688 1.00 22.53 H new ATOM 0 HG3 LYS A 61 -8.194 -1.425 -8.317 1.00 22.53 H new ATOM 0 HD2 LYS A 61 -7.752 1.419 -9.355 1.00 61.34 H new ATOM 0 HD3 LYS A 61 -7.282 -0.064 -10.162 1.00 61.34 H new ATOM 0 HE2 LYS A 61 -10.150 0.822 -9.596 1.00 70.43 H new ATOM 0 HE3 LYS A 61 -9.346 0.895 -11.151 1.00 70.43 H new ATOM 0 HZ1 LYS A 61 -10.764 -1.039 -10.988 1.00 30.44 H new ATOM 0 HZ2 LYS A 61 -9.142 -1.519 -11.128 1.00 30.44 H new ATOM 0 HZ3 LYS A 61 -9.920 -1.590 -9.621 1.00 30.44 H new ATOM 1045 N GLN A 62 -11.305 -0.285 -4.712 1.00 14.02 N ATOM 1046 CA GLN A 62 -12.373 0.322 -3.890 1.00 52.33 C ATOM 1047 C GLN A 62 -12.031 0.184 -2.395 1.00 65.12 C ATOM 1048 O GLN A 62 -12.255 1.119 -1.609 1.00 3.31 O ATOM 1049 CB GLN A 62 -13.758 -0.309 -4.202 1.00 71.22 C ATOM 1050 CG GLN A 62 -14.929 0.267 -3.372 1.00 1.33 C ATOM 1051 CD GLN A 62 -15.133 1.780 -3.557 1.00 10.20 C ATOM 1052 OE1 GLN A 62 -14.908 2.327 -4.635 1.00 1.34 O ATOM 1053 NE2 GLN A 62 -15.521 2.470 -2.495 1.00 53.52 N ATOM 0 H GLN A 62 -11.564 -1.173 -5.142 1.00 14.02 H new ATOM 0 HA GLN A 62 -12.435 1.381 -4.140 1.00 52.33 H new ATOM 0 HB2 GLN A 62 -13.977 -0.169 -5.261 1.00 71.22 H new ATOM 0 HB3 GLN A 62 -13.701 -1.384 -4.028 1.00 71.22 H new ATOM 0 HG2 GLN A 62 -15.848 -0.251 -3.648 1.00 1.33 H new ATOM 0 HG3 GLN A 62 -14.751 0.060 -2.317 1.00 1.33 H new ATOM 0 HE21 GLN A 62 -15.701 1.990 -1.613 1.00 53.52 H new ATOM 0 HE22 GLN A 62 -15.640 3.481 -2.559 1.00 53.52 H new ATOM 1062 N LEU A 63 -11.477 -0.988 -2.019 1.00 22.14 N ATOM 1063 CA LEU A 63 -10.930 -1.224 -0.671 1.00 12.14 C ATOM 1064 C LEU A 63 -9.782 -0.244 -0.401 1.00 22.44 C ATOM 1065 O LEU A 63 -9.700 0.348 0.663 1.00 11.24 O ATOM 1066 CB LEU A 63 -10.410 -2.681 -0.536 1.00 34.25 C ATOM 1067 CG LEU A 63 -11.479 -3.808 -0.623 1.00 65.25 C ATOM 1068 CD1 LEU A 63 -10.810 -5.196 -0.617 1.00 24.12 C ATOM 1069 CD2 LEU A 63 -12.517 -3.682 0.510 1.00 41.33 C ATOM 0 H LEU A 63 -11.398 -1.793 -2.641 1.00 22.14 H new ATOM 0 HA LEU A 63 -11.726 -1.069 0.057 1.00 12.14 H new ATOM 0 HB2 LEU A 63 -9.668 -2.853 -1.316 1.00 34.25 H new ATOM 0 HB3 LEU A 63 -9.894 -2.772 0.420 1.00 34.25 H new ATOM 0 HG LEU A 63 -12.011 -3.695 -1.567 1.00 65.25 H new ATOM 0 HD11 LEU A 63 -11.576 -5.969 -0.679 1.00 24.12 H new ATOM 0 HD12 LEU A 63 -10.140 -5.280 -1.472 1.00 24.12 H new ATOM 0 HD13 LEU A 63 -10.241 -5.322 0.304 1.00 24.12 H new ATOM 0 HD21 LEU A 63 -13.251 -4.483 0.422 1.00 41.33 H new ATOM 0 HD22 LEU A 63 -12.014 -3.755 1.474 1.00 41.33 H new ATOM 0 HD23 LEU A 63 -13.022 -2.719 0.436 1.00 41.33 H new ATOM 1081 N LEU A 64 -8.920 -0.079 -1.409 1.00 1.23 N ATOM 1082 CA LEU A 64 -7.780 0.843 -1.358 1.00 54.51 C ATOM 1083 C LEU A 64 -8.245 2.293 -1.103 1.00 42.43 C ATOM 1084 O LEU A 64 -7.663 2.987 -0.271 1.00 44.11 O ATOM 1085 CB LEU A 64 -6.967 0.712 -2.674 1.00 51.34 C ATOM 1086 CG LEU A 64 -5.733 1.673 -2.868 1.00 13.24 C ATOM 1087 CD1 LEU A 64 -4.667 1.011 -3.742 1.00 32.24 C ATOM 1088 CD2 LEU A 64 -6.133 3.033 -3.488 1.00 12.34 C ATOM 0 H LEU A 64 -8.994 -0.586 -2.291 1.00 1.23 H new ATOM 0 HA LEU A 64 -7.133 0.579 -0.521 1.00 54.51 H new ATOM 0 HB2 LEU A 64 -6.608 -0.315 -2.746 1.00 51.34 H new ATOM 0 HB3 LEU A 64 -7.650 0.870 -3.508 1.00 51.34 H new ATOM 0 HG LEU A 64 -5.330 1.865 -1.874 1.00 13.24 H new ATOM 0 HD11 LEU A 64 -3.823 1.690 -3.864 1.00 32.24 H new ATOM 0 HD12 LEU A 64 -4.326 0.091 -3.267 1.00 32.24 H new ATOM 0 HD13 LEU A 64 -5.090 0.779 -4.719 1.00 32.24 H new ATOM 0 HD21 LEU A 64 -5.246 3.657 -3.600 1.00 12.34 H new ATOM 0 HD22 LEU A 64 -6.586 2.868 -4.465 1.00 12.34 H new ATOM 0 HD23 LEU A 64 -6.849 3.534 -2.836 1.00 12.34 H new ATOM 1100 N LYS A 65 -9.299 2.721 -1.821 1.00 20.00 N ATOM 1101 CA LYS A 65 -9.861 4.083 -1.710 1.00 12.21 C ATOM 1102 C LYS A 65 -10.323 4.371 -0.275 1.00 34.33 C ATOM 1103 O LYS A 65 -9.788 5.281 0.385 1.00 33.30 O ATOM 1104 CB LYS A 65 -11.039 4.255 -2.709 1.00 32.14 C ATOM 1105 CG LYS A 65 -10.615 4.457 -4.185 1.00 53.01 C ATOM 1106 CD LYS A 65 -11.791 4.282 -5.177 1.00 4.40 C ATOM 1107 CE LYS A 65 -13.023 5.131 -4.820 1.00 23.14 C ATOM 1108 NZ LYS A 65 -12.711 6.585 -4.759 1.00 63.51 N ATOM 0 H LYS A 65 -9.787 2.133 -2.496 1.00 20.00 H new ATOM 0 HA LYS A 65 -9.080 4.801 -1.960 1.00 12.21 H new ATOM 0 HB2 LYS A 65 -11.681 3.376 -2.647 1.00 32.14 H new ATOM 0 HB3 LYS A 65 -11.639 5.110 -2.398 1.00 32.14 H new ATOM 0 HG2 LYS A 65 -10.191 5.454 -4.303 1.00 53.01 H new ATOM 0 HG3 LYS A 65 -9.828 3.745 -4.433 1.00 53.01 H new ATOM 0 HD2 LYS A 65 -11.454 4.548 -6.179 1.00 4.40 H new ATOM 0 HD3 LYS A 65 -12.079 3.231 -5.206 1.00 4.40 H new ATOM 0 HE2 LYS A 65 -13.805 4.961 -5.560 1.00 23.14 H new ATOM 0 HE3 LYS A 65 -13.418 4.806 -3.858 1.00 23.14 H new ATOM 0 HZ1 LYS A 65 -13.582 7.119 -4.565 1.00 63.51 H new ATOM 0 HZ2 LYS A 65 -12.021 6.761 -4.001 1.00 63.51 H new ATOM 0 HZ3 LYS A 65 -12.311 6.893 -5.668 1.00 63.51 H new ATOM 1122 N GLU A 66 -11.268 3.538 0.213 1.00 34.42 N ATOM 1123 CA GLU A 66 -11.846 3.681 1.559 1.00 0.14 C ATOM 1124 C GLU A 66 -10.761 3.602 2.636 1.00 44.24 C ATOM 1125 O GLU A 66 -10.814 4.343 3.615 1.00 72.41 O ATOM 1126 CB GLU A 66 -12.925 2.602 1.825 1.00 45.15 C ATOM 1127 CG GLU A 66 -14.070 2.587 0.798 1.00 43.45 C ATOM 1128 CD GLU A 66 -14.728 3.960 0.591 1.00 34.21 C ATOM 1129 OE1 GLU A 66 -15.398 4.453 1.518 1.00 3.54 O ATOM 1130 OE2 GLU A 66 -14.577 4.546 -0.497 1.00 61.40 O ATOM 0 H GLU A 66 -11.647 2.752 -0.315 1.00 34.42 H new ATOM 0 HA GLU A 66 -12.316 4.663 1.605 1.00 0.14 H new ATOM 0 HB2 GLU A 66 -12.448 1.622 1.834 1.00 45.15 H new ATOM 0 HB3 GLU A 66 -13.345 2.762 2.818 1.00 45.15 H new ATOM 0 HG2 GLU A 66 -13.685 2.230 -0.157 1.00 43.45 H new ATOM 0 HG3 GLU A 66 -14.829 1.875 1.122 1.00 43.45 H new ATOM 1137 N MET A 67 -9.772 2.716 2.400 1.00 43.24 N ATOM 1138 CA MET A 67 -8.607 2.524 3.276 1.00 54.43 C ATOM 1139 C MET A 67 -7.907 3.871 3.536 1.00 44.01 C ATOM 1140 O MET A 67 -7.951 4.383 4.646 1.00 45.10 O ATOM 1141 CB MET A 67 -7.602 1.519 2.631 1.00 52.12 C ATOM 1142 CG MET A 67 -6.488 0.994 3.553 1.00 1.54 C ATOM 1143 SD MET A 67 -7.040 -0.316 4.669 1.00 12.22 S ATOM 1144 CE MET A 67 -7.517 -1.603 3.510 1.00 15.30 C ATOM 0 H MET A 67 -9.764 2.107 1.582 1.00 43.24 H new ATOM 0 HA MET A 67 -8.953 2.116 4.226 1.00 54.43 H new ATOM 0 HB2 MET A 67 -8.165 0.666 2.252 1.00 52.12 H new ATOM 0 HB3 MET A 67 -7.137 2.002 1.771 1.00 52.12 H new ATOM 0 HG2 MET A 67 -5.667 0.619 2.942 1.00 1.54 H new ATOM 0 HG3 MET A 67 -6.094 1.822 4.143 1.00 1.54 H new ATOM 0 HE1 MET A 67 -8.577 -1.827 3.631 1.00 15.30 H new ATOM 0 HE2 MET A 67 -7.333 -1.262 2.491 1.00 15.30 H new ATOM 0 HE3 MET A 67 -6.931 -2.502 3.703 1.00 15.30 H new ATOM 1154 N LEU A 68 -7.376 4.475 2.456 1.00 5.01 N ATOM 1155 CA LEU A 68 -6.506 5.669 2.531 1.00 31.12 C ATOM 1156 C LEU A 68 -7.243 6.902 3.082 1.00 34.04 C ATOM 1157 O LEU A 68 -6.651 7.718 3.795 1.00 33.15 O ATOM 1158 CB LEU A 68 -5.903 5.975 1.137 1.00 75.53 C ATOM 1159 CG LEU A 68 -5.152 4.786 0.466 1.00 42.32 C ATOM 1160 CD1 LEU A 68 -4.546 5.189 -0.882 1.00 32.24 C ATOM 1161 CD2 LEU A 68 -4.090 4.182 1.397 1.00 22.41 C ATOM 0 H LEU A 68 -7.538 4.149 1.503 1.00 5.01 H new ATOM 0 HA LEU A 68 -5.703 5.442 3.232 1.00 31.12 H new ATOM 0 HB2 LEU A 68 -6.706 6.298 0.474 1.00 75.53 H new ATOM 0 HB3 LEU A 68 -5.212 6.813 1.233 1.00 75.53 H new ATOM 0 HG LEU A 68 -5.893 4.010 0.274 1.00 42.32 H new ATOM 0 HD11 LEU A 68 -4.031 4.334 -1.319 1.00 32.24 H new ATOM 0 HD12 LEU A 68 -5.339 5.517 -1.554 1.00 32.24 H new ATOM 0 HD13 LEU A 68 -3.837 6.003 -0.733 1.00 32.24 H new ATOM 0 HD21 LEU A 68 -3.590 3.356 0.891 1.00 22.41 H new ATOM 0 HD22 LEU A 68 -3.357 4.946 1.657 1.00 22.41 H new ATOM 0 HD23 LEU A 68 -4.569 3.815 2.305 1.00 22.41 H new ATOM 1173 N GLU A 69 -8.543 7.003 2.754 1.00 21.15 N ATOM 1174 CA GLU A 69 -9.420 8.090 3.239 1.00 44.12 C ATOM 1175 C GLU A 69 -9.671 7.966 4.755 1.00 53.42 C ATOM 1176 O GLU A 69 -9.707 8.974 5.472 1.00 62.12 O ATOM 1177 CB GLU A 69 -10.750 8.076 2.449 1.00 10.22 C ATOM 1178 CG GLU A 69 -10.571 8.386 0.950 1.00 51.42 C ATOM 1179 CD GLU A 69 -11.855 8.201 0.132 1.00 0.03 C ATOM 1180 OE1 GLU A 69 -12.818 8.958 0.355 1.00 13.01 O ATOM 1181 OE2 GLU A 69 -11.908 7.305 -0.737 1.00 13.22 O ATOM 0 H GLU A 69 -9.018 6.335 2.146 1.00 21.15 H new ATOM 0 HA GLU A 69 -8.923 9.045 3.071 1.00 44.12 H new ATOM 0 HB2 GLU A 69 -11.219 7.098 2.557 1.00 10.22 H new ATOM 0 HB3 GLU A 69 -11.432 8.806 2.885 1.00 10.22 H new ATOM 0 HG2 GLU A 69 -10.223 9.413 0.838 1.00 51.42 H new ATOM 0 HG3 GLU A 69 -9.794 7.739 0.543 1.00 51.42 H new ATOM 1188 N LEU A 70 -9.813 6.718 5.235 1.00 25.03 N ATOM 1189 CA LEU A 70 -9.954 6.423 6.674 1.00 11.10 C ATOM 1190 C LEU A 70 -8.620 6.644 7.417 1.00 44.35 C ATOM 1191 O LEU A 70 -8.626 7.115 8.547 1.00 14.43 O ATOM 1192 CB LEU A 70 -10.482 4.977 6.892 1.00 61.23 C ATOM 1193 CG LEU A 70 -11.976 4.736 6.495 1.00 20.44 C ATOM 1194 CD1 LEU A 70 -12.337 3.236 6.549 1.00 50.32 C ATOM 1195 CD2 LEU A 70 -12.925 5.573 7.380 1.00 2.24 C ATOM 0 H LEU A 70 -9.833 5.889 4.641 1.00 25.03 H new ATOM 0 HA LEU A 70 -10.686 7.115 7.091 1.00 11.10 H new ATOM 0 HB2 LEU A 70 -9.857 4.291 6.320 1.00 61.23 H new ATOM 0 HB3 LEU A 70 -10.358 4.719 7.944 1.00 61.23 H new ATOM 0 HG LEU A 70 -12.103 5.066 5.464 1.00 20.44 H new ATOM 0 HD11 LEU A 70 -13.382 3.103 6.268 1.00 50.32 H new ATOM 0 HD12 LEU A 70 -11.702 2.684 5.857 1.00 50.32 H new ATOM 0 HD13 LEU A 70 -12.183 2.861 7.561 1.00 50.32 H new ATOM 0 HD21 LEU A 70 -13.957 5.387 7.084 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -12.791 5.292 8.425 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -12.697 6.632 7.258 1.00 2.24 H new ATOM 1207 N ILE A 71 -7.487 6.335 6.750 1.00 44.10 N ATOM 1208 CA ILE A 71 -6.127 6.543 7.308 1.00 72.41 C ATOM 1209 C ILE A 71 -5.852 8.051 7.495 1.00 21.31 C ATOM 1210 O ILE A 71 -5.188 8.463 8.456 1.00 61.10 O ATOM 1211 CB ILE A 71 -5.015 5.901 6.388 1.00 43.01 C ATOM 1212 CG1 ILE A 71 -5.264 4.371 6.200 1.00 64.41 C ATOM 1213 CG2 ILE A 71 -3.597 6.151 6.959 1.00 30.32 C ATOM 1214 CD1 ILE A 71 -4.377 3.700 5.159 1.00 4.34 C ATOM 0 H ILE A 71 -7.486 5.935 5.812 1.00 44.10 H new ATOM 0 HA ILE A 71 -6.088 6.045 8.277 1.00 72.41 H new ATOM 0 HB ILE A 71 -5.076 6.385 5.413 1.00 43.01 H new ATOM 0 HG12 ILE A 71 -5.115 3.873 7.158 1.00 64.41 H new ATOM 0 HG13 ILE A 71 -6.306 4.219 5.920 1.00 64.41 H new ATOM 0 HG21 ILE A 71 -2.855 5.696 6.302 1.00 30.32 H new ATOM 0 HG22 ILE A 71 -3.415 7.224 7.024 1.00 30.32 H new ATOM 0 HG23 ILE A 71 -3.522 5.709 7.952 1.00 30.32 H new ATOM 0 HD11 ILE A 71 -4.623 2.640 5.100 1.00 4.34 H new ATOM 0 HD12 ILE A 71 -4.541 4.165 4.187 1.00 4.34 H new ATOM 0 HD13 ILE A 71 -3.331 3.814 5.444 1.00 4.34 H new ATOM 1226 N SER A 72 -6.404 8.863 6.575 1.00 45.43 N ATOM 1227 CA SER A 72 -6.357 10.330 6.662 1.00 13.43 C ATOM 1228 C SER A 72 -7.152 10.832 7.887 1.00 60.03 C ATOM 1229 O SER A 72 -6.795 11.837 8.497 1.00 11.40 O ATOM 1230 CB SER A 72 -6.921 10.946 5.366 1.00 31.13 C ATOM 1231 OG SER A 72 -6.198 10.509 4.226 1.00 21.33 O ATOM 0 H SER A 72 -6.895 8.518 5.750 1.00 45.43 H new ATOM 0 HA SER A 72 -5.319 10.641 6.783 1.00 13.43 H new ATOM 0 HB2 SER A 72 -7.971 10.673 5.259 1.00 31.13 H new ATOM 0 HB3 SER A 72 -6.879 12.033 5.430 1.00 31.13 H new ATOM 0 HG SER A 72 -6.357 9.552 4.085 1.00 21.33 H new ATOM 1237 N LYS A 73 -8.226 10.094 8.244 1.00 62.05 N ATOM 1238 CA LYS A 73 -9.053 10.385 9.437 1.00 0.43 C ATOM 1239 C LYS A 73 -8.358 9.880 10.723 1.00 21.53 C ATOM 1240 O LYS A 73 -8.603 10.402 11.814 1.00 43.02 O ATOM 1241 CB LYS A 73 -10.470 9.748 9.289 1.00 2.22 C ATOM 1242 CG LYS A 73 -11.294 10.278 8.091 1.00 21.22 C ATOM 1243 CD LYS A 73 -11.560 11.799 8.187 1.00 42.53 C ATOM 1244 CE LYS A 73 -12.352 12.354 6.991 1.00 43.21 C ATOM 1245 NZ LYS A 73 -13.702 11.744 6.871 1.00 5.52 N ATOM 0 H LYS A 73 -8.544 9.282 7.715 1.00 62.05 H new ATOM 0 HA LYS A 73 -9.169 11.466 9.517 1.00 0.43 H new ATOM 0 HB2 LYS A 73 -10.360 8.668 9.188 1.00 2.22 H new ATOM 0 HB3 LYS A 73 -11.031 9.926 10.206 1.00 2.22 H new ATOM 0 HG2 LYS A 73 -10.763 10.062 7.164 1.00 21.22 H new ATOM 0 HG3 LYS A 73 -12.245 9.748 8.044 1.00 21.22 H new ATOM 0 HD2 LYS A 73 -12.108 12.008 9.106 1.00 42.53 H new ATOM 0 HD3 LYS A 73 -10.607 12.324 8.258 1.00 42.53 H new ATOM 0 HE2 LYS A 73 -12.453 13.434 7.096 1.00 43.21 H new ATOM 0 HE3 LYS A 73 -11.792 12.174 6.073 1.00 43.21 H new ATOM 0 HZ1 LYS A 73 -14.220 12.199 6.093 1.00 5.52 H new ATOM 0 HZ2 LYS A 73 -13.607 10.727 6.676 1.00 5.52 H new ATOM 0 HZ3 LYS A 73 -14.224 11.879 7.760 1.00 5.52 H new ATOM 1259 N LEU A 74 -7.497 8.853 10.574 1.00 14.44 N ATOM 1260 CA LEU A 74 -6.673 8.311 11.679 1.00 44.32 C ATOM 1261 C LEU A 74 -5.442 9.215 11.933 1.00 63.41 C ATOM 1262 O LEU A 74 -4.886 9.227 13.034 1.00 43.34 O ATOM 1263 CB LEU A 74 -6.222 6.854 11.359 1.00 1.01 C ATOM 1264 CG LEU A 74 -7.357 5.802 11.128 1.00 55.41 C ATOM 1265 CD1 LEU A 74 -6.768 4.413 10.794 1.00 62.31 C ATOM 1266 CD2 LEU A 74 -8.331 5.739 12.325 1.00 54.53 C ATOM 0 H LEU A 74 -7.352 8.374 9.685 1.00 14.44 H new ATOM 0 HA LEU A 74 -7.280 8.294 12.584 1.00 44.32 H new ATOM 0 HB2 LEU A 74 -5.595 6.880 10.468 1.00 1.01 H new ATOM 0 HB3 LEU A 74 -5.595 6.504 12.179 1.00 1.01 H new ATOM 0 HG LEU A 74 -7.938 6.128 10.265 1.00 55.41 H new ATOM 0 HD11 LEU A 74 -7.579 3.702 10.638 1.00 62.31 H new ATOM 0 HD12 LEU A 74 -6.166 4.481 9.888 1.00 62.31 H new ATOM 0 HD13 LEU A 74 -6.142 4.075 11.620 1.00 62.31 H new ATOM 0 HD21 LEU A 74 -9.104 4.997 12.126 1.00 54.53 H new ATOM 0 HD22 LEU A 74 -7.784 5.460 13.225 1.00 54.53 H new ATOM 0 HD23 LEU A 74 -8.793 6.715 12.470 1.00 54.53 H new ATOM 1278 N GLY A 75 -5.034 9.963 10.893 1.00 61.42 N ATOM 1279 CA GLY A 75 -3.918 10.911 10.981 1.00 1.22 C ATOM 1280 C GLY A 75 -2.556 10.249 10.803 1.00 11.15 C ATOM 1281 O GLY A 75 -1.585 10.619 11.478 1.00 63.04 O ATOM 0 H GLY A 75 -5.470 9.925 9.972 1.00 61.42 H new ATOM 0 HA2 GLY A 75 -4.043 11.682 10.220 1.00 1.22 H new ATOM 0 HA3 GLY A 75 -3.949 11.411 11.949 1.00 1.22 H new ATOM 1285 N TYR A 76 -2.494 9.247 9.905 1.00 63.43 N ATOM 1286 CA TYR A 76 -1.232 8.563 9.539 1.00 24.22 C ATOM 1287 C TYR A 76 -0.874 8.858 8.074 1.00 45.22 C ATOM 1288 O TYR A 76 -1.744 9.229 7.272 1.00 13.30 O ATOM 1289 CB TYR A 76 -1.335 7.026 9.759 1.00 1.55 C ATOM 1290 CG TYR A 76 -1.725 6.610 11.184 1.00 54.23 C ATOM 1291 CD1 TYR A 76 -1.087 7.162 12.297 1.00 71.33 C ATOM 1292 CD2 TYR A 76 -2.732 5.667 11.418 1.00 64.31 C ATOM 1293 CE1 TYR A 76 -1.441 6.798 13.580 1.00 22.11 C ATOM 1294 CE2 TYR A 76 -3.083 5.302 12.702 1.00 72.33 C ATOM 1295 CZ TYR A 76 -2.435 5.871 13.777 1.00 33.11 C ATOM 1296 OH TYR A 76 -2.782 5.514 15.062 1.00 53.21 O ATOM 0 H TYR A 76 -3.312 8.888 9.413 1.00 63.43 H new ATOM 0 HA TYR A 76 -0.445 8.947 10.188 1.00 24.22 H new ATOM 0 HB2 TYR A 76 -2.069 6.621 9.062 1.00 1.55 H new ATOM 0 HB3 TYR A 76 -0.376 6.572 9.511 1.00 1.55 H new ATOM 0 HD1 TYR A 76 -0.301 7.888 12.151 1.00 71.33 H new ATOM 0 HD2 TYR A 76 -3.243 5.217 10.580 1.00 64.31 H new ATOM 0 HE1 TYR A 76 -0.938 7.241 14.427 1.00 22.11 H new ATOM 0 HE2 TYR A 76 -3.863 4.573 12.864 1.00 72.33 H new ATOM 0 HH TYR A 76 -3.544 4.898 15.036 1.00 53.21 H new ATOM 1306 N LYS A 77 0.412 8.670 7.736 1.00 32.21 N ATOM 1307 CA LYS A 77 0.938 8.903 6.382 1.00 62.21 C ATOM 1308 C LYS A 77 1.116 7.536 5.682 1.00 22.00 C ATOM 1309 O LYS A 77 1.587 6.576 6.294 1.00 14.23 O ATOM 1310 CB LYS A 77 2.274 9.725 6.463 1.00 51.22 C ATOM 1311 CG LYS A 77 2.712 10.443 5.151 1.00 54.43 C ATOM 1312 CD LYS A 77 3.360 9.504 4.110 1.00 23.00 C ATOM 1313 CE LYS A 77 3.706 10.216 2.797 1.00 21.51 C ATOM 1314 NZ LYS A 77 4.711 11.296 2.988 1.00 31.13 N ATOM 0 H LYS A 77 1.119 8.350 8.398 1.00 32.21 H new ATOM 0 HA LYS A 77 0.243 9.497 5.788 1.00 62.21 H new ATOM 0 HB2 LYS A 77 2.170 10.475 7.247 1.00 51.22 H new ATOM 0 HB3 LYS A 77 3.074 9.052 6.770 1.00 51.22 H new ATOM 0 HG2 LYS A 77 1.841 10.921 4.702 1.00 54.43 H new ATOM 0 HG3 LYS A 77 3.418 11.235 5.400 1.00 54.43 H new ATOM 0 HD2 LYS A 77 4.267 9.072 4.533 1.00 23.00 H new ATOM 0 HD3 LYS A 77 2.681 8.678 3.901 1.00 23.00 H new ATOM 0 HE2 LYS A 77 4.090 9.488 2.082 1.00 21.51 H new ATOM 0 HE3 LYS A 77 2.799 10.639 2.366 1.00 21.51 H new ATOM 0 HZ1 LYS A 77 4.322 12.197 2.643 1.00 31.13 H new ATOM 0 HZ2 LYS A 77 4.940 11.382 3.999 1.00 31.13 H new ATOM 0 HZ3 LYS A 77 5.574 11.065 2.455 1.00 31.13 H new ATOM 1328 N VAL A 78 0.705 7.476 4.407 1.00 74.11 N ATOM 1329 CA VAL A 78 0.770 6.266 3.564 1.00 23.00 C ATOM 1330 C VAL A 78 1.836 6.423 2.470 1.00 14.03 C ATOM 1331 O VAL A 78 1.987 7.504 1.884 1.00 41.20 O ATOM 1332 CB VAL A 78 -0.615 5.981 2.865 1.00 40.44 C ATOM 1333 CG1 VAL A 78 -0.585 4.684 2.019 1.00 11.51 C ATOM 1334 CG2 VAL A 78 -1.760 5.949 3.895 1.00 54.20 C ATOM 0 H VAL A 78 0.310 8.281 3.921 1.00 74.11 H new ATOM 0 HA VAL A 78 1.026 5.434 4.220 1.00 23.00 H new ATOM 0 HB VAL A 78 -0.803 6.805 2.177 1.00 40.44 H new ATOM 0 HG11 VAL A 78 -1.560 4.528 1.557 1.00 11.51 H new ATOM 0 HG12 VAL A 78 0.175 4.774 1.242 1.00 11.51 H new ATOM 0 HG13 VAL A 78 -0.349 3.836 2.662 1.00 11.51 H new ATOM 0 HG21 VAL A 78 -2.703 5.751 3.385 1.00 54.20 H new ATOM 0 HG22 VAL A 78 -1.570 5.163 4.626 1.00 54.20 H new ATOM 0 HG23 VAL A 78 -1.818 6.911 4.404 1.00 54.20 H new ATOM 1344 N PHE A 79 2.562 5.336 2.202 1.00 10.33 N ATOM 1345 CA PHE A 79 3.396 5.190 1.007 1.00 23.32 C ATOM 1346 C PHE A 79 2.731 4.119 0.140 1.00 43.13 C ATOM 1347 O PHE A 79 2.633 2.956 0.552 1.00 65.31 O ATOM 1348 CB PHE A 79 4.832 4.773 1.395 1.00 64.45 C ATOM 1349 CG PHE A 79 5.610 5.827 2.185 1.00 11.30 C ATOM 1350 CD1 PHE A 79 5.422 5.979 3.560 1.00 31.34 C ATOM 1351 CD2 PHE A 79 6.525 6.669 1.552 1.00 11.13 C ATOM 1352 CE1 PHE A 79 6.123 6.932 4.271 1.00 63.10 C ATOM 1353 CE2 PHE A 79 7.224 7.619 2.268 1.00 25.45 C ATOM 1354 CZ PHE A 79 7.023 7.754 3.624 1.00 72.12 C ATOM 0 H PHE A 79 2.588 4.522 2.816 1.00 10.33 H new ATOM 0 HA PHE A 79 3.477 6.132 0.465 1.00 23.32 H new ATOM 0 HB2 PHE A 79 4.784 3.858 1.985 1.00 64.45 H new ATOM 0 HB3 PHE A 79 5.386 4.537 0.486 1.00 64.45 H new ATOM 0 HD1 PHE A 79 4.718 5.342 4.075 1.00 31.34 H new ATOM 0 HD2 PHE A 79 6.688 6.576 0.488 1.00 11.13 H new ATOM 0 HE1 PHE A 79 5.967 7.034 5.335 1.00 63.10 H new ATOM 0 HE2 PHE A 79 7.932 8.260 1.763 1.00 25.45 H new ATOM 0 HZ PHE A 79 7.569 8.502 4.180 1.00 72.12 H new ATOM 1364 N LEU A 80 2.256 4.515 -1.043 1.00 74.04 N ATOM 1365 CA LEU A 80 1.418 3.662 -1.899 1.00 73.33 C ATOM 1366 C LEU A 80 2.193 3.223 -3.146 1.00 34.23 C ATOM 1367 O LEU A 80 2.723 4.052 -3.887 1.00 53.11 O ATOM 1368 CB LEU A 80 0.106 4.410 -2.283 1.00 71.43 C ATOM 1369 CG LEU A 80 -0.855 3.684 -3.296 1.00 74.20 C ATOM 1370 CD1 LEU A 80 -1.288 2.294 -2.806 1.00 65.32 C ATOM 1371 CD2 LEU A 80 -2.086 4.557 -3.628 1.00 21.43 C ATOM 0 H LEU A 80 2.440 5.437 -1.438 1.00 74.04 H new ATOM 0 HA LEU A 80 1.147 2.764 -1.344 1.00 73.33 H new ATOM 0 HB2 LEU A 80 -0.452 4.608 -1.368 1.00 71.43 H new ATOM 0 HB3 LEU A 80 0.378 5.377 -2.706 1.00 71.43 H new ATOM 0 HG LEU A 80 -0.282 3.535 -4.211 1.00 74.20 H new ATOM 0 HD11 LEU A 80 -1.950 1.838 -3.543 1.00 65.32 H new ATOM 0 HD12 LEU A 80 -0.408 1.665 -2.671 1.00 65.32 H new ATOM 0 HD13 LEU A 80 -1.814 2.391 -1.856 1.00 65.32 H new ATOM 0 HD21 LEU A 80 -2.729 4.027 -4.330 1.00 21.43 H new ATOM 0 HD22 LEU A 80 -2.641 4.766 -2.714 1.00 21.43 H new ATOM 0 HD23 LEU A 80 -1.757 5.495 -4.075 1.00 21.43 H new ATOM 1383 N LEU A 81 2.271 1.902 -3.357 1.00 73.21 N ATOM 1384 CA LEU A 81 2.789 1.316 -4.588 1.00 4.22 C ATOM 1385 C LEU A 81 1.623 0.714 -5.371 1.00 62.11 C ATOM 1386 O LEU A 81 0.982 -0.242 -4.913 1.00 11.11 O ATOM 1387 CB LEU A 81 3.857 0.226 -4.306 1.00 32.32 C ATOM 1388 CG LEU A 81 4.568 -0.338 -5.580 1.00 30.34 C ATOM 1389 CD1 LEU A 81 5.206 0.796 -6.412 1.00 42.33 C ATOM 1390 CD2 LEU A 81 5.608 -1.415 -5.221 1.00 73.45 C ATOM 0 H LEU A 81 1.973 1.210 -2.669 1.00 73.21 H new ATOM 0 HA LEU A 81 3.275 2.101 -5.168 1.00 4.22 H new ATOM 0 HB2 LEU A 81 4.612 0.641 -3.639 1.00 32.32 H new ATOM 0 HB3 LEU A 81 3.382 -0.600 -3.776 1.00 32.32 H new ATOM 0 HG LEU A 81 3.804 -0.815 -6.194 1.00 30.34 H new ATOM 0 HD11 LEU A 81 5.693 0.373 -7.291 1.00 42.33 H new ATOM 0 HD12 LEU A 81 4.432 1.496 -6.727 1.00 42.33 H new ATOM 0 HD13 LEU A 81 5.944 1.321 -5.806 1.00 42.33 H new ATOM 0 HD21 LEU A 81 6.080 -1.783 -6.132 1.00 73.45 H new ATOM 0 HD22 LEU A 81 6.366 -0.985 -4.567 1.00 73.45 H new ATOM 0 HD23 LEU A 81 5.114 -2.241 -4.710 1.00 73.45 H new ATOM 1402 N LEU A 82 1.333 1.304 -6.526 1.00 35.00 N ATOM 1403 CA LEU A 82 0.358 0.775 -7.473 1.00 61.04 C ATOM 1404 C LEU A 82 1.115 0.072 -8.614 1.00 51.11 C ATOM 1405 O LEU A 82 1.874 0.719 -9.355 1.00 33.25 O ATOM 1406 CB LEU A 82 -0.535 1.927 -8.015 1.00 24.22 C ATOM 1407 CG LEU A 82 -1.503 2.608 -7.005 1.00 1.12 C ATOM 1408 CD1 LEU A 82 -2.262 3.789 -7.658 1.00 15.24 C ATOM 1409 CD2 LEU A 82 -2.478 1.578 -6.414 1.00 50.33 C ATOM 0 H LEU A 82 1.773 2.171 -6.834 1.00 35.00 H new ATOM 0 HA LEU A 82 -0.295 0.054 -6.982 1.00 61.04 H new ATOM 0 HB2 LEU A 82 0.118 2.696 -8.428 1.00 24.22 H new ATOM 0 HB3 LEU A 82 -1.129 1.535 -8.841 1.00 24.22 H new ATOM 0 HG LEU A 82 -0.906 3.018 -6.190 1.00 1.12 H new ATOM 0 HD11 LEU A 82 -2.930 4.242 -6.925 1.00 15.24 H new ATOM 0 HD12 LEU A 82 -1.546 4.534 -8.006 1.00 15.24 H new ATOM 0 HD13 LEU A 82 -2.845 3.424 -8.503 1.00 15.24 H new ATOM 0 HD21 LEU A 82 -3.147 2.073 -5.710 1.00 50.33 H new ATOM 0 HD22 LEU A 82 -3.063 1.129 -7.216 1.00 50.33 H new ATOM 0 HD23 LEU A 82 -1.916 0.801 -5.896 1.00 50.33 H new ATOM 1421 N GLN A 83 0.951 -1.255 -8.709 1.00 0.44 N ATOM 1422 CA GLN A 83 1.502 -2.066 -9.799 1.00 45.30 C ATOM 1423 C GLN A 83 0.349 -2.554 -10.682 1.00 21.32 C ATOM 1424 O GLN A 83 -0.530 -3.290 -10.211 1.00 42.52 O ATOM 1425 CB GLN A 83 2.295 -3.282 -9.247 1.00 13.02 C ATOM 1426 CG GLN A 83 3.075 -4.054 -10.335 1.00 71.10 C ATOM 1427 CD GLN A 83 3.755 -5.322 -9.836 1.00 52.11 C ATOM 1428 OE1 GLN A 83 4.107 -5.436 -8.663 1.00 63.12 O ATOM 1429 NE2 GLN A 83 3.969 -6.272 -10.738 1.00 61.21 N ATOM 0 H GLN A 83 0.427 -1.799 -8.024 1.00 0.44 H new ATOM 0 HA GLN A 83 2.191 -1.455 -10.382 1.00 45.30 H new ATOM 0 HB2 GLN A 83 2.995 -2.935 -8.487 1.00 13.02 H new ATOM 0 HB3 GLN A 83 1.602 -3.964 -8.755 1.00 13.02 H new ATOM 0 HG2 GLN A 83 2.389 -4.316 -11.141 1.00 71.10 H new ATOM 0 HG3 GLN A 83 3.830 -3.394 -10.762 1.00 71.10 H new ATOM 0 HE21 GLN A 83 3.662 -6.139 -11.701 1.00 61.21 H new ATOM 0 HE22 GLN A 83 4.441 -7.135 -10.468 1.00 61.21 H new ATOM 1438 N ASP A 84 0.350 -2.142 -11.952 1.00 41.04 N ATOM 1439 CA ASP A 84 -0.682 -2.540 -12.925 1.00 12.24 C ATOM 1440 C ASP A 84 -0.018 -2.848 -14.277 1.00 70.35 C ATOM 1441 O ASP A 84 1.171 -2.577 -14.459 1.00 52.20 O ATOM 1442 CB ASP A 84 -1.765 -1.424 -13.048 1.00 35.42 C ATOM 1443 CG ASP A 84 -3.053 -1.910 -13.740 1.00 25.33 C ATOM 1444 OD1 ASP A 84 -3.787 -2.715 -13.131 1.00 33.32 O ATOM 1445 OD2 ASP A 84 -3.316 -1.530 -14.896 1.00 54.34 O ATOM 0 H ASP A 84 1.063 -1.524 -12.339 1.00 41.04 H new ATOM 0 HA ASP A 84 -1.186 -3.444 -12.582 1.00 12.24 H new ATOM 0 HB2 ASP A 84 -2.011 -1.053 -12.053 1.00 35.42 H new ATOM 0 HB3 ASP A 84 -1.352 -0.585 -13.608 1.00 35.42 H new ATOM 1450 N GLN A 85 -0.782 -3.451 -15.198 1.00 64.15 N ATOM 1451 CA GLN A 85 -0.291 -3.830 -16.540 1.00 31.34 C ATOM 1452 C GLN A 85 -0.522 -2.699 -17.569 1.00 21.44 C ATOM 1453 O GLN A 85 0.009 -2.747 -18.680 1.00 24.31 O ATOM 1454 CB GLN A 85 -0.988 -5.141 -16.988 1.00 23.42 C ATOM 1455 CG GLN A 85 -0.667 -6.372 -16.107 1.00 24.14 C ATOM 1456 CD GLN A 85 -1.389 -7.654 -16.548 1.00 31.13 C ATOM 1457 OE1 GLN A 85 -1.690 -7.844 -17.729 1.00 12.44 O ATOM 1458 NE2 GLN A 85 -1.662 -8.546 -15.607 1.00 40.30 N ATOM 0 H GLN A 85 -1.760 -3.692 -15.038 1.00 64.15 H new ATOM 0 HA GLN A 85 0.785 -3.995 -16.486 1.00 31.34 H new ATOM 0 HB2 GLN A 85 -2.066 -4.982 -16.989 1.00 23.42 H new ATOM 0 HB3 GLN A 85 -0.697 -5.360 -18.015 1.00 23.42 H new ATOM 0 HG2 GLN A 85 0.409 -6.548 -16.123 1.00 24.14 H new ATOM 0 HG3 GLN A 85 -0.939 -6.150 -15.075 1.00 24.14 H new ATOM 0 HE21 GLN A 85 -1.401 -8.362 -14.638 1.00 40.30 H new ATOM 0 HE22 GLN A 85 -2.133 -9.417 -15.851 1.00 40.30 H new ATOM 1467 N ASP A 86 -1.344 -1.702 -17.198 1.00 11.35 N ATOM 1468 CA ASP A 86 -1.628 -0.514 -18.039 1.00 60.41 C ATOM 1469 C ASP A 86 -1.210 0.754 -17.277 1.00 25.31 C ATOM 1470 O ASP A 86 -1.737 1.032 -16.202 1.00 62.45 O ATOM 1471 CB ASP A 86 -3.141 -0.451 -18.397 1.00 42.34 C ATOM 1472 CG ASP A 86 -3.483 0.594 -19.487 1.00 23.23 C ATOM 1473 OD1 ASP A 86 -3.430 1.807 -19.210 1.00 1.24 O ATOM 1474 OD2 ASP A 86 -3.819 0.200 -20.625 1.00 21.34 O ATOM 0 H ASP A 86 -1.835 -1.693 -16.304 1.00 11.35 H new ATOM 0 HA ASP A 86 -1.061 -0.586 -18.967 1.00 60.41 H new ATOM 0 HB2 ASP A 86 -3.466 -1.435 -18.736 1.00 42.34 H new ATOM 0 HB3 ASP A 86 -3.709 -0.221 -17.495 1.00 42.34 H new ATOM 1479 N GLU A 87 -0.289 1.529 -17.873 1.00 13.31 N ATOM 1480 CA GLU A 87 0.294 2.736 -17.259 1.00 15.40 C ATOM 1481 C GLU A 87 -0.629 3.974 -17.343 1.00 32.12 C ATOM 1482 O GLU A 87 -0.471 4.892 -16.533 1.00 43.21 O ATOM 1483 CB GLU A 87 1.675 3.048 -17.893 1.00 34.33 C ATOM 1484 CG GLU A 87 2.697 1.907 -17.772 1.00 52.14 C ATOM 1485 CD GLU A 87 4.098 2.286 -18.276 1.00 41.31 C ATOM 1486 OE1 GLU A 87 4.383 2.119 -19.478 1.00 2.52 O ATOM 1487 OE2 GLU A 87 4.916 2.770 -17.471 1.00 61.11 O ATOM 0 H GLU A 87 0.077 1.334 -18.805 1.00 13.31 H new ATOM 0 HA GLU A 87 0.417 2.515 -16.199 1.00 15.40 H new ATOM 0 HB2 GLU A 87 1.533 3.283 -18.948 1.00 34.33 H new ATOM 0 HB3 GLU A 87 2.086 3.940 -17.420 1.00 34.33 H new ATOM 0 HG2 GLU A 87 2.765 1.600 -16.728 1.00 52.14 H new ATOM 0 HG3 GLU A 87 2.337 1.046 -18.335 1.00 52.14 H new ATOM 1494 N ASN A 88 -1.570 4.012 -18.309 1.00 1.15 N ATOM 1495 CA ASN A 88 -2.520 5.151 -18.447 1.00 4.20 C ATOM 1496 C ASN A 88 -3.540 5.126 -17.297 1.00 63.22 C ATOM 1497 O ASN A 88 -3.724 6.127 -16.605 1.00 41.43 O ATOM 1498 CB ASN A 88 -3.261 5.130 -19.808 1.00 35.44 C ATOM 1499 CG ASN A 88 -2.342 5.350 -21.006 1.00 2.35 C ATOM 1500 OD1 ASN A 88 -2.084 6.484 -21.405 1.00 73.32 O ATOM 1501 ND2 ASN A 88 -1.851 4.275 -21.592 1.00 3.33 N ATOM 0 H ASN A 88 -1.697 3.276 -19.004 1.00 1.15 H new ATOM 0 HA ASN A 88 -1.937 6.071 -18.404 1.00 4.20 H new ATOM 0 HB2 ASN A 88 -3.769 4.172 -19.921 1.00 35.44 H new ATOM 0 HB3 ASN A 88 -4.031 5.901 -19.805 1.00 35.44 H new ATOM 0 HD21 ASN A 88 -1.238 4.371 -22.401 1.00 3.33 H new ATOM 0 HD22 ASN A 88 -2.085 3.348 -21.236 1.00 3.33 H new ATOM 1508 N GLU A 89 -4.142 3.941 -17.070 1.00 41.24 N ATOM 1509 CA GLU A 89 -5.137 3.735 -15.991 1.00 2.33 C ATOM 1510 C GLU A 89 -4.454 3.848 -14.618 1.00 30.34 C ATOM 1511 O GLU A 89 -5.047 4.322 -13.641 1.00 11.23 O ATOM 1512 CB GLU A 89 -5.820 2.345 -16.126 1.00 14.45 C ATOM 1513 CG GLU A 89 -6.461 2.073 -17.500 1.00 1.05 C ATOM 1514 CD GLU A 89 -7.514 3.118 -17.905 1.00 3.23 C ATOM 1515 OE1 GLU A 89 -8.644 3.063 -17.385 1.00 2.05 O ATOM 1516 OE2 GLU A 89 -7.224 3.992 -18.747 1.00 12.02 O ATOM 0 H GLU A 89 -3.956 3.104 -17.623 1.00 41.24 H new ATOM 0 HA GLU A 89 -5.902 4.506 -16.079 1.00 2.33 H new ATOM 0 HB2 GLU A 89 -5.079 1.571 -15.926 1.00 14.45 H new ATOM 0 HB3 GLU A 89 -6.588 2.257 -15.358 1.00 14.45 H new ATOM 0 HG2 GLU A 89 -5.678 2.046 -18.258 1.00 1.05 H new ATOM 0 HG3 GLU A 89 -6.926 1.087 -17.486 1.00 1.05 H new ATOM 1523 N LEU A 90 -3.188 3.401 -14.589 1.00 54.32 N ATOM 1524 CA LEU A 90 -2.302 3.473 -13.422 1.00 13.12 C ATOM 1525 C LEU A 90 -2.037 4.940 -13.018 1.00 72.32 C ATOM 1526 O LEU A 90 -2.120 5.286 -11.839 1.00 13.23 O ATOM 1527 CB LEU A 90 -0.980 2.734 -13.778 1.00 22.50 C ATOM 1528 CG LEU A 90 0.144 2.670 -12.708 1.00 2.42 C ATOM 1529 CD1 LEU A 90 -0.414 2.239 -11.355 1.00 1.34 C ATOM 1530 CD2 LEU A 90 1.300 1.739 -13.171 1.00 10.12 C ATOM 0 H LEU A 90 -2.744 2.969 -15.399 1.00 54.32 H new ATOM 0 HA LEU A 90 -2.772 2.994 -12.563 1.00 13.12 H new ATOM 0 HB2 LEU A 90 -1.236 1.710 -14.052 1.00 22.50 H new ATOM 0 HB3 LEU A 90 -0.565 3.208 -14.667 1.00 22.50 H new ATOM 0 HG LEU A 90 0.557 3.672 -12.589 1.00 2.42 H new ATOM 0 HD11 LEU A 90 0.393 2.202 -10.624 1.00 1.34 H new ATOM 0 HD12 LEU A 90 -1.168 2.955 -11.028 1.00 1.34 H new ATOM 0 HD13 LEU A 90 -0.867 1.252 -11.446 1.00 1.34 H new ATOM 0 HD21 LEU A 90 2.074 1.711 -12.404 1.00 10.12 H new ATOM 0 HD22 LEU A 90 0.914 0.733 -13.333 1.00 10.12 H new ATOM 0 HD23 LEU A 90 1.723 2.119 -14.101 1.00 10.12 H new ATOM 1542 N GLU A 91 -1.759 5.788 -14.027 1.00 20.42 N ATOM 1543 CA GLU A 91 -1.453 7.221 -13.838 1.00 32.34 C ATOM 1544 C GLU A 91 -2.697 7.995 -13.356 1.00 41.33 C ATOM 1545 O GLU A 91 -2.630 8.747 -12.378 1.00 21.24 O ATOM 1546 CB GLU A 91 -0.921 7.822 -15.175 1.00 3.42 C ATOM 1547 CG GLU A 91 -0.698 9.353 -15.180 1.00 51.41 C ATOM 1548 CD GLU A 91 0.299 9.843 -14.112 1.00 33.51 C ATOM 1549 OE1 GLU A 91 1.495 9.483 -14.196 1.00 21.12 O ATOM 1550 OE2 GLU A 91 -0.109 10.575 -13.180 1.00 34.20 O ATOM 0 H GLU A 91 -1.740 5.496 -15.004 1.00 20.42 H new ATOM 0 HA GLU A 91 -0.685 7.315 -13.070 1.00 32.34 H new ATOM 0 HB2 GLU A 91 0.023 7.335 -15.421 1.00 3.42 H new ATOM 0 HB3 GLU A 91 -1.625 7.573 -15.969 1.00 3.42 H new ATOM 0 HG2 GLU A 91 -0.339 9.655 -16.164 1.00 51.41 H new ATOM 0 HG3 GLU A 91 -1.655 9.850 -15.024 1.00 51.41 H new ATOM 1557 N GLU A 92 -3.820 7.789 -14.066 1.00 43.40 N ATOM 1558 CA GLU A 92 -5.096 8.475 -13.791 1.00 1.34 C ATOM 1559 C GLU A 92 -5.612 8.189 -12.373 1.00 41.23 C ATOM 1560 O GLU A 92 -6.016 9.113 -11.662 1.00 72.22 O ATOM 1561 CB GLU A 92 -6.156 8.081 -14.847 1.00 12.40 C ATOM 1562 CG GLU A 92 -5.815 8.556 -16.269 1.00 41.13 C ATOM 1563 CD GLU A 92 -6.876 8.167 -17.304 1.00 64.35 C ATOM 1564 OE1 GLU A 92 -7.986 8.742 -17.273 1.00 12.11 O ATOM 1565 OE2 GLU A 92 -6.608 7.305 -18.160 1.00 2.33 O ATOM 0 H GLU A 92 -3.869 7.139 -14.851 1.00 43.40 H new ATOM 0 HA GLU A 92 -4.912 9.547 -13.855 1.00 1.34 H new ATOM 0 HB2 GLU A 92 -6.266 6.997 -14.852 1.00 12.40 H new ATOM 0 HB3 GLU A 92 -7.120 8.498 -14.555 1.00 12.40 H new ATOM 0 HG2 GLU A 92 -5.700 9.640 -16.266 1.00 41.13 H new ATOM 0 HG3 GLU A 92 -4.855 8.134 -16.566 1.00 41.13 H new ATOM 1572 N PHE A 93 -5.565 6.910 -11.965 1.00 44.33 N ATOM 1573 CA PHE A 93 -6.007 6.487 -10.625 1.00 51.45 C ATOM 1574 C PHE A 93 -5.023 6.989 -9.547 1.00 52.24 C ATOM 1575 O PHE A 93 -5.444 7.374 -8.444 1.00 64.21 O ATOM 1576 CB PHE A 93 -6.162 4.945 -10.568 1.00 10.41 C ATOM 1577 CG PHE A 93 -6.725 4.420 -9.246 1.00 20.52 C ATOM 1578 CD1 PHE A 93 -8.032 4.731 -8.860 1.00 41.23 C ATOM 1579 CD2 PHE A 93 -5.956 3.626 -8.391 1.00 60.02 C ATOM 1580 CE1 PHE A 93 -8.546 4.267 -7.662 1.00 24.12 C ATOM 1581 CE2 PHE A 93 -6.475 3.164 -7.198 1.00 24.54 C ATOM 1582 CZ PHE A 93 -7.769 3.486 -6.834 1.00 43.44 C ATOM 0 H PHE A 93 -5.223 6.146 -12.548 1.00 44.33 H new ATOM 0 HA PHE A 93 -6.981 6.931 -10.422 1.00 51.45 H new ATOM 0 HB2 PHE A 93 -6.815 4.626 -11.380 1.00 10.41 H new ATOM 0 HB3 PHE A 93 -5.189 4.486 -10.743 1.00 10.41 H new ATOM 0 HD1 PHE A 93 -8.648 5.341 -9.504 1.00 41.23 H new ATOM 0 HD2 PHE A 93 -4.943 3.371 -8.667 1.00 60.02 H new ATOM 0 HE1 PHE A 93 -9.557 4.517 -7.376 1.00 24.12 H new ATOM 0 HE2 PHE A 93 -5.869 2.550 -6.548 1.00 24.54 H new ATOM 0 HZ PHE A 93 -8.172 3.125 -5.899 1.00 43.44 H new ATOM 1592 N LYS A 94 -3.715 7.005 -9.898 1.00 65.22 N ATOM 1593 CA LYS A 94 -2.640 7.485 -9.007 1.00 4.35 C ATOM 1594 C LYS A 94 -2.847 8.955 -8.612 1.00 20.42 C ATOM 1595 O LYS A 94 -2.858 9.279 -7.427 1.00 42.53 O ATOM 1596 CB LYS A 94 -1.247 7.336 -9.683 1.00 32.22 C ATOM 1597 CG LYS A 94 -0.087 8.005 -8.912 1.00 70.24 C ATOM 1598 CD LYS A 94 1.285 7.802 -9.573 1.00 63.23 C ATOM 1599 CE LYS A 94 1.411 8.544 -10.909 1.00 11.22 C ATOM 1600 NZ LYS A 94 1.332 10.020 -10.759 1.00 24.24 N ATOM 0 H LYS A 94 -3.379 6.685 -10.806 1.00 65.22 H new ATOM 0 HA LYS A 94 -2.678 6.869 -8.109 1.00 4.35 H new ATOM 0 HB2 LYS A 94 -1.025 6.275 -9.800 1.00 32.22 H new ATOM 0 HB3 LYS A 94 -1.295 7.763 -10.685 1.00 32.22 H new ATOM 0 HG2 LYS A 94 -0.286 9.073 -8.827 1.00 70.24 H new ATOM 0 HG3 LYS A 94 -0.056 7.605 -7.899 1.00 70.24 H new ATOM 0 HD2 LYS A 94 2.066 8.147 -8.895 1.00 63.23 H new ATOM 0 HD3 LYS A 94 1.452 6.737 -9.736 1.00 63.23 H new ATOM 0 HE2 LYS A 94 2.360 8.281 -11.377 1.00 11.22 H new ATOM 0 HE3 LYS A 94 0.621 8.209 -11.581 1.00 11.22 H new ATOM 0 HZ1 LYS A 94 0.506 10.378 -11.279 1.00 24.24 H new ATOM 0 HZ2 LYS A 94 1.238 10.262 -9.752 1.00 24.24 H new ATOM 0 HZ3 LYS A 94 2.196 10.454 -11.140 1.00 24.24 H new ATOM 1614 N ARG A 95 -3.025 9.823 -9.631 1.00 22.11 N ATOM 1615 CA ARG A 95 -3.019 11.291 -9.459 1.00 32.21 C ATOM 1616 C ARG A 95 -4.215 11.794 -8.612 1.00 11.11 C ATOM 1617 O ARG A 95 -4.139 12.872 -8.010 1.00 72.23 O ATOM 1618 CB ARG A 95 -2.919 12.009 -10.835 1.00 45.01 C ATOM 1619 CG ARG A 95 -4.133 11.853 -11.777 1.00 62.34 C ATOM 1620 CD ARG A 95 -3.866 12.414 -13.193 1.00 34.11 C ATOM 1621 NE ARG A 95 -3.430 13.829 -13.184 1.00 55.31 N ATOM 1622 CZ ARG A 95 -3.503 14.679 -14.228 1.00 71.33 C ATOM 1623 NH1 ARG A 95 -4.012 14.294 -15.401 1.00 53.22 N ATOM 1624 NH2 ARG A 95 -3.071 15.926 -14.087 1.00 72.32 N ATOM 0 H ARG A 95 -3.177 9.526 -10.595 1.00 22.11 H new ATOM 0 HA ARG A 95 -2.127 11.550 -8.889 1.00 32.21 H new ATOM 0 HB2 ARG A 95 -2.759 13.072 -10.656 1.00 45.01 H new ATOM 0 HB3 ARG A 95 -2.035 11.637 -11.352 1.00 45.01 H new ATOM 0 HG2 ARG A 95 -4.396 10.798 -11.852 1.00 62.34 H new ATOM 0 HG3 ARG A 95 -4.992 12.365 -11.344 1.00 62.34 H new ATOM 0 HD2 ARG A 95 -3.102 11.808 -13.680 1.00 34.11 H new ATOM 0 HD3 ARG A 95 -4.773 12.323 -13.790 1.00 34.11 H new ATOM 0 HE ARG A 95 -3.041 14.192 -12.314 1.00 55.31 H new ATOM 0 HH11 ARG A 95 -4.355 13.341 -15.520 1.00 53.22 H new ATOM 0 HH12 ARG A 95 -4.058 14.953 -16.178 1.00 53.22 H new ATOM 0 HH21 ARG A 95 -2.687 16.235 -13.194 1.00 72.32 H new ATOM 0 HH22 ARG A 95 -3.123 16.575 -14.872 1.00 72.32 H new ATOM 1638 N LYS A 96 -5.294 10.988 -8.559 1.00 15.25 N ATOM 1639 CA LYS A 96 -6.449 11.227 -7.657 1.00 0.30 C ATOM 1640 C LYS A 96 -6.011 11.143 -6.171 1.00 44.13 C ATOM 1641 O LYS A 96 -6.370 11.982 -5.337 1.00 30.14 O ATOM 1642 CB LYS A 96 -7.560 10.168 -7.924 1.00 64.03 C ATOM 1643 CG LYS A 96 -8.053 10.082 -9.384 1.00 43.04 C ATOM 1644 CD LYS A 96 -9.110 8.965 -9.588 1.00 3.20 C ATOM 1645 CE LYS A 96 -9.403 8.681 -11.072 1.00 60.51 C ATOM 1646 NZ LYS A 96 -9.948 9.858 -11.789 1.00 3.23 N ATOM 0 H LYS A 96 -5.394 10.154 -9.137 1.00 15.25 H new ATOM 0 HA LYS A 96 -6.836 12.226 -7.857 1.00 0.30 H new ATOM 0 HB2 LYS A 96 -7.184 9.189 -7.627 1.00 64.03 H new ATOM 0 HB3 LYS A 96 -8.413 10.391 -7.283 1.00 64.03 H new ATOM 0 HG2 LYS A 96 -8.481 11.041 -9.677 1.00 43.04 H new ATOM 0 HG3 LYS A 96 -7.203 9.898 -10.041 1.00 43.04 H new ATOM 0 HD2 LYS A 96 -8.761 8.050 -9.110 1.00 3.20 H new ATOM 0 HD3 LYS A 96 -10.035 9.252 -9.089 1.00 3.20 H new ATOM 0 HE2 LYS A 96 -8.485 8.356 -11.562 1.00 60.51 H new ATOM 0 HE3 LYS A 96 -10.112 7.857 -11.146 1.00 60.51 H new ATOM 0 HZ1 LYS A 96 -10.126 9.608 -12.783 1.00 3.23 H new ATOM 0 HZ2 LYS A 96 -10.839 10.155 -11.342 1.00 3.23 H new ATOM 0 HZ3 LYS A 96 -9.262 10.639 -11.746 1.00 3.23 H new ATOM 1660 N ILE A 97 -5.218 10.104 -5.886 1.00 1.33 N ATOM 1661 CA ILE A 97 -4.735 9.758 -4.531 1.00 54.22 C ATOM 1662 C ILE A 97 -3.477 10.577 -4.157 1.00 42.11 C ATOM 1663 O ILE A 97 -3.204 10.841 -2.981 1.00 45.32 O ATOM 1664 CB ILE A 97 -4.408 8.226 -4.495 1.00 74.21 C ATOM 1665 CG1 ILE A 97 -5.656 7.398 -4.945 1.00 63.44 C ATOM 1666 CG2 ILE A 97 -3.910 7.786 -3.102 1.00 24.02 C ATOM 1667 CD1 ILE A 97 -5.363 5.945 -5.232 1.00 14.30 C ATOM 0 H ILE A 97 -4.883 9.461 -6.603 1.00 1.33 H new ATOM 0 HA ILE A 97 -5.511 9.997 -3.804 1.00 54.22 H new ATOM 0 HB ILE A 97 -3.597 8.033 -5.197 1.00 74.21 H new ATOM 0 HG12 ILE A 97 -6.417 7.457 -4.167 1.00 63.44 H new ATOM 0 HG13 ILE A 97 -6.079 7.856 -5.840 1.00 63.44 H new ATOM 0 HG21 ILE A 97 -3.693 6.718 -3.114 1.00 24.02 H new ATOM 0 HG22 ILE A 97 -3.005 8.338 -2.848 1.00 24.02 H new ATOM 0 HG23 ILE A 97 -4.680 7.991 -2.359 1.00 24.02 H new ATOM 0 HD11 ILE A 97 -6.281 5.442 -5.538 1.00 14.30 H new ATOM 0 HD12 ILE A 97 -4.626 5.874 -6.032 1.00 14.30 H new ATOM 0 HD13 ILE A 97 -4.970 5.469 -4.334 1.00 14.30 H new ATOM 1679 N GLU A 98 -2.740 10.981 -5.194 1.00 71.43 N ATOM 1680 CA GLU A 98 -1.490 11.757 -5.095 1.00 72.21 C ATOM 1681 C GLU A 98 -1.757 13.158 -4.495 1.00 13.25 C ATOM 1682 O GLU A 98 -0.878 13.762 -3.873 1.00 32.43 O ATOM 1683 CB GLU A 98 -0.893 11.838 -6.519 1.00 4.12 C ATOM 1684 CG GLU A 98 0.444 12.568 -6.670 1.00 3.24 C ATOM 1685 CD GLU A 98 0.963 12.480 -8.112 1.00 0.54 C ATOM 1686 OE1 GLU A 98 0.571 13.317 -8.949 1.00 53.23 O ATOM 1687 OE2 GLU A 98 1.731 11.548 -8.426 1.00 22.52 O ATOM 0 H GLU A 98 -3.000 10.773 -6.158 1.00 71.43 H new ATOM 0 HA GLU A 98 -0.780 11.274 -4.423 1.00 72.21 H new ATOM 0 HB2 GLU A 98 -0.768 10.822 -6.893 1.00 4.12 H new ATOM 0 HB3 GLU A 98 -1.622 12.328 -7.165 1.00 4.12 H new ATOM 0 HG2 GLU A 98 0.325 13.614 -6.387 1.00 3.24 H new ATOM 0 HG3 GLU A 98 1.177 12.135 -5.989 1.00 3.24 H new ATOM 1694 N SER A 99 -3.014 13.616 -4.647 1.00 11.14 N ATOM 1695 CA SER A 99 -3.513 14.888 -4.091 1.00 64.21 C ATOM 1696 C SER A 99 -3.577 14.870 -2.540 1.00 3.21 C ATOM 1697 O SER A 99 -3.625 15.928 -1.909 1.00 50.34 O ATOM 1698 CB SER A 99 -4.919 15.169 -4.678 1.00 53.03 C ATOM 1699 OG SER A 99 -5.469 16.381 -4.185 1.00 55.35 O ATOM 0 H SER A 99 -3.724 13.103 -5.169 1.00 11.14 H new ATOM 0 HA SER A 99 -2.816 15.679 -4.369 1.00 64.21 H new ATOM 0 HB2 SER A 99 -4.855 15.216 -5.765 1.00 53.03 H new ATOM 0 HB3 SER A 99 -5.586 14.342 -4.433 1.00 53.03 H new ATOM 0 HG SER A 99 -6.355 16.523 -4.580 1.00 55.35 H new ATOM 1705 N GLN A 100 -3.576 13.659 -1.939 1.00 13.04 N ATOM 1706 CA GLN A 100 -3.687 13.472 -0.472 1.00 71.12 C ATOM 1707 C GLN A 100 -2.317 13.605 0.243 1.00 3.45 C ATOM 1708 O GLN A 100 -2.243 13.456 1.473 1.00 65.42 O ATOM 1709 CB GLN A 100 -4.325 12.088 -0.169 1.00 53.12 C ATOM 1710 CG GLN A 100 -5.736 11.885 -0.759 1.00 1.22 C ATOM 1711 CD GLN A 100 -6.367 10.537 -0.376 1.00 1.15 C ATOM 1712 OE1 GLN A 100 -6.118 9.510 -1.168 1.00 55.13 O flip ATOM 1713 NE2 GLN A 100 -7.056 10.420 0.635 1.00 31.24 N flip ATOM 0 H GLN A 100 -3.498 12.783 -2.456 1.00 13.04 H new ATOM 0 HA GLN A 100 -4.326 14.265 -0.083 1.00 71.12 H new ATOM 0 HB2 GLN A 100 -3.669 11.308 -0.556 1.00 53.12 H new ATOM 0 HB3 GLN A 100 -4.375 11.955 0.912 1.00 53.12 H new ATOM 0 HG2 GLN A 100 -6.384 12.692 -0.418 1.00 1.22 H new ATOM 0 HG3 GLN A 100 -5.682 11.957 -1.845 1.00 1.22 H new ATOM 0 HE21 GLN A 100 -7.232 11.230 1.229 1.00 31.24 H new ATOM 0 HE22 GLN A 100 -7.452 9.512 0.880 1.00 31.24 H new ATOM 1722 N GLY A 101 -1.246 13.888 -0.531 1.00 31.20 N ATOM 1723 CA GLY A 101 0.107 14.061 0.026 1.00 71.11 C ATOM 1724 C GLY A 101 0.766 12.740 0.406 1.00 44.23 C ATOM 1725 O GLY A 101 1.533 12.661 1.378 1.00 32.00 O ATOM 0 H GLY A 101 -1.296 14.001 -1.543 1.00 31.20 H new ATOM 0 HA2 GLY A 101 0.732 14.576 -0.704 1.00 71.11 H new ATOM 0 HA3 GLY A 101 0.053 14.701 0.907 1.00 71.11 H new ATOM 1729 N TYR A 102 0.423 11.690 -0.351 1.00 53.14 N ATOM 1730 CA TYR A 102 1.021 10.353 -0.209 1.00 64.42 C ATOM 1731 C TYR A 102 1.912 10.078 -1.418 1.00 43.32 C ATOM 1732 O TYR A 102 1.461 10.262 -2.555 1.00 5.13 O ATOM 1733 CB TYR A 102 -0.090 9.268 -0.107 1.00 53.20 C ATOM 1734 CG TYR A 102 -1.042 9.411 1.098 1.00 51.11 C ATOM 1735 CD1 TYR A 102 -0.590 9.903 2.328 1.00 5.12 C ATOM 1736 CD2 TYR A 102 -2.385 9.015 1.015 1.00 13.52 C ATOM 1737 CE1 TYR A 102 -1.433 9.997 3.419 1.00 50.35 C ATOM 1738 CE2 TYR A 102 -3.232 9.114 2.109 1.00 51.22 C ATOM 1739 CZ TYR A 102 -2.747 9.604 3.307 1.00 32.04 C ATOM 1740 OH TYR A 102 -3.578 9.690 4.403 1.00 54.53 O ATOM 0 H TYR A 102 -0.283 11.743 -1.086 1.00 53.14 H new ATOM 0 HA TYR A 102 1.616 10.318 0.703 1.00 64.42 H new ATOM 0 HB2 TYR A 102 -0.682 9.291 -1.022 1.00 53.20 H new ATOM 0 HB3 TYR A 102 0.385 8.288 -0.059 1.00 53.20 H new ATOM 0 HD1 TYR A 102 0.439 10.216 2.426 1.00 5.12 H new ATOM 0 HD2 TYR A 102 -2.766 8.626 0.083 1.00 13.52 H new ATOM 0 HE1 TYR A 102 -1.061 10.378 4.358 1.00 50.35 H new ATOM 0 HE2 TYR A 102 -4.265 8.810 2.025 1.00 51.22 H new ATOM 0 HH TYR A 102 -4.463 10.001 4.119 1.00 54.53 H new ATOM 1750 N GLU A 103 3.174 9.655 -1.181 1.00 41.51 N ATOM 1751 CA GLU A 103 4.081 9.256 -2.268 1.00 11.41 C ATOM 1752 C GLU A 103 3.557 7.971 -2.930 1.00 12.43 C ATOM 1753 O GLU A 103 3.742 6.866 -2.399 1.00 43.22 O ATOM 1754 CB GLU A 103 5.554 9.071 -1.789 1.00 32.31 C ATOM 1755 CG GLU A 103 6.309 10.379 -1.441 1.00 65.33 C ATOM 1756 CD GLU A 103 5.952 10.962 -0.063 1.00 63.32 C ATOM 1757 OE1 GLU A 103 6.593 10.578 0.937 1.00 21.41 O ATOM 1758 OE2 GLU A 103 5.024 11.798 0.041 1.00 32.31 O ATOM 0 H GLU A 103 3.581 9.583 -0.249 1.00 41.51 H new ATOM 0 HA GLU A 103 4.097 10.066 -2.998 1.00 11.41 H new ATOM 0 HB2 GLU A 103 5.554 8.427 -0.910 1.00 32.31 H new ATOM 0 HB3 GLU A 103 6.108 8.548 -2.568 1.00 32.31 H new ATOM 0 HG2 GLU A 103 7.381 10.187 -1.476 1.00 65.33 H new ATOM 0 HG3 GLU A 103 6.094 11.125 -2.206 1.00 65.33 H new ATOM 1765 N VAL A 104 2.836 8.146 -4.049 1.00 64.12 N ATOM 1766 CA VAL A 104 2.318 7.037 -4.855 1.00 71.55 C ATOM 1767 C VAL A 104 3.247 6.837 -6.062 1.00 34.24 C ATOM 1768 O VAL A 104 3.662 7.813 -6.692 1.00 5.24 O ATOM 1769 CB VAL A 104 0.848 7.290 -5.359 1.00 73.25 C ATOM 1770 CG1 VAL A 104 0.278 6.015 -6.026 1.00 20.14 C ATOM 1771 CG2 VAL A 104 -0.077 7.799 -4.223 1.00 34.21 C ATOM 0 H VAL A 104 2.597 9.066 -4.419 1.00 64.12 H new ATOM 0 HA VAL A 104 2.290 6.147 -4.226 1.00 71.55 H new ATOM 0 HB VAL A 104 0.885 8.081 -6.108 1.00 73.25 H new ATOM 0 HG11 VAL A 104 -0.739 6.207 -6.369 1.00 20.14 H new ATOM 0 HG12 VAL A 104 0.902 5.739 -6.876 1.00 20.14 H new ATOM 0 HG13 VAL A 104 0.269 5.199 -5.303 1.00 20.14 H new ATOM 0 HG21 VAL A 104 -1.081 7.960 -4.616 1.00 34.21 H new ATOM 0 HG22 VAL A 104 -0.114 7.058 -3.425 1.00 34.21 H new ATOM 0 HG23 VAL A 104 0.313 8.737 -3.829 1.00 34.21 H new ATOM 1781 N ARG A 105 3.578 5.579 -6.369 1.00 51.24 N ATOM 1782 CA ARG A 105 4.501 5.232 -7.462 1.00 4.01 C ATOM 1783 C ARG A 105 3.794 4.370 -8.516 1.00 24.52 C ATOM 1784 O ARG A 105 2.852 3.631 -8.198 1.00 41.21 O ATOM 1785 CB ARG A 105 5.710 4.462 -6.879 1.00 70.02 C ATOM 1786 CG ARG A 105 6.920 4.287 -7.823 1.00 3.02 C ATOM 1787 CD ARG A 105 7.674 5.610 -8.102 1.00 74.25 C ATOM 1788 NE ARG A 105 9.129 5.396 -8.220 1.00 63.43 N ATOM 1789 CZ ARG A 105 9.970 5.234 -7.177 1.00 64.54 C ATOM 1790 NH1 ARG A 105 9.528 5.267 -5.920 1.00 2.24 N ATOM 1791 NH2 ARG A 105 11.254 4.998 -7.395 1.00 14.23 N ATOM 0 H ARG A 105 3.214 4.769 -5.867 1.00 51.24 H new ATOM 0 HA ARG A 105 4.842 6.149 -7.943 1.00 4.01 H new ATOM 0 HB2 ARG A 105 6.047 4.980 -5.981 1.00 70.02 H new ATOM 0 HB3 ARG A 105 5.371 3.474 -6.568 1.00 70.02 H new ATOM 0 HG2 ARG A 105 7.612 3.567 -7.386 1.00 3.02 H new ATOM 0 HG3 ARG A 105 6.577 3.866 -8.768 1.00 3.02 H new ATOM 0 HD2 ARG A 105 7.296 6.057 -9.022 1.00 74.25 H new ATOM 0 HD3 ARG A 105 7.475 6.319 -7.298 1.00 74.25 H new ATOM 0 HE ARG A 105 9.528 5.368 -9.158 1.00 63.43 H new ATOM 0 HH11 ARG A 105 8.537 5.417 -5.732 1.00 2.24 H new ATOM 0 HH12 ARG A 105 10.181 5.142 -5.146 1.00 2.24 H new ATOM 0 HH21 ARG A 105 11.607 4.939 -8.350 1.00 14.23 H new ATOM 0 HH22 ARG A 105 11.891 4.875 -6.608 1.00 14.23 H new ATOM 1805 N LYS A 106 4.268 4.481 -9.763 1.00 65.44 N ATOM 1806 CA LYS A 106 3.907 3.582 -10.864 1.00 5.25 C ATOM 1807 C LYS A 106 4.995 2.515 -11.008 1.00 4.44 C ATOM 1808 O LYS A 106 6.188 2.821 -10.864 1.00 41.14 O ATOM 1809 CB LYS A 106 3.800 4.369 -12.197 1.00 30.30 C ATOM 1810 CG LYS A 106 2.762 5.503 -12.190 1.00 21.23 C ATOM 1811 CD LYS A 106 2.689 6.255 -13.538 1.00 3.02 C ATOM 1812 CE LYS A 106 2.200 5.374 -14.691 1.00 62.12 C ATOM 1813 NZ LYS A 106 2.099 6.146 -15.957 1.00 14.44 N ATOM 0 H LYS A 106 4.925 5.211 -10.039 1.00 65.44 H new ATOM 0 HA LYS A 106 2.943 3.123 -10.644 1.00 5.25 H new ATOM 0 HB2 LYS A 106 4.777 4.790 -12.434 1.00 30.30 H new ATOM 0 HB3 LYS A 106 3.551 3.671 -12.997 1.00 30.30 H new ATOM 0 HG2 LYS A 106 1.781 5.090 -11.956 1.00 21.23 H new ATOM 0 HG3 LYS A 106 3.008 6.210 -11.397 1.00 21.23 H new ATOM 0 HD2 LYS A 106 2.022 7.111 -13.434 1.00 3.02 H new ATOM 0 HD3 LYS A 106 3.676 6.648 -13.782 1.00 3.02 H new ATOM 0 HE2 LYS A 106 2.885 4.537 -14.827 1.00 62.12 H new ATOM 0 HE3 LYS A 106 1.226 4.952 -14.441 1.00 62.12 H new ATOM 0 HZ1 LYS A 106 1.224 5.884 -16.455 1.00 14.44 H new ATOM 0 HZ2 LYS A 106 2.084 7.164 -15.743 1.00 14.44 H new ATOM 0 HZ3 LYS A 106 2.918 5.931 -16.561 1.00 14.44 H new ATOM 1827 N VAL A 107 4.580 1.276 -11.286 1.00 4.13 N ATOM 1828 CA VAL A 107 5.499 0.199 -11.663 1.00 10.22 C ATOM 1829 C VAL A 107 4.748 -0.878 -12.468 1.00 74.43 C ATOM 1830 O VAL A 107 3.567 -1.151 -12.218 1.00 24.41 O ATOM 1831 CB VAL A 107 6.238 -0.417 -10.410 1.00 22.31 C ATOM 1832 CG1 VAL A 107 5.266 -1.119 -9.443 1.00 24.42 C ATOM 1833 CG2 VAL A 107 7.403 -1.338 -10.835 1.00 34.35 C ATOM 0 H VAL A 107 3.601 0.992 -11.256 1.00 4.13 H new ATOM 0 HA VAL A 107 6.277 0.625 -12.297 1.00 10.22 H new ATOM 0 HB VAL A 107 6.671 0.416 -9.856 1.00 22.31 H new ATOM 0 HG11 VAL A 107 5.823 -1.525 -8.599 1.00 24.42 H new ATOM 0 HG12 VAL A 107 4.531 -0.400 -9.081 1.00 24.42 H new ATOM 0 HG13 VAL A 107 4.755 -1.929 -9.964 1.00 24.42 H new ATOM 0 HG21 VAL A 107 7.888 -1.744 -9.947 1.00 34.35 H new ATOM 0 HG22 VAL A 107 7.017 -2.156 -11.443 1.00 34.35 H new ATOM 0 HG23 VAL A 107 8.127 -0.765 -11.414 1.00 34.35 H new ATOM 1843 N THR A 108 5.437 -1.431 -13.470 1.00 3.34 N ATOM 1844 CA THR A 108 4.930 -2.499 -14.344 1.00 63.14 C ATOM 1845 C THR A 108 5.870 -3.718 -14.281 1.00 13.42 C ATOM 1846 O THR A 108 5.429 -4.865 -14.448 1.00 61.21 O ATOM 1847 CB THR A 108 4.797 -1.985 -15.819 1.00 12.24 C ATOM 1848 OG1 THR A 108 5.988 -1.267 -16.190 1.00 23.34 O ATOM 1849 CG2 THR A 108 3.575 -1.070 -16.014 1.00 64.13 C ATOM 0 H THR A 108 6.387 -1.143 -13.704 1.00 3.34 H new ATOM 0 HA THR A 108 3.941 -2.798 -13.997 1.00 63.14 H new ATOM 0 HB THR A 108 4.662 -2.860 -16.455 1.00 12.24 H new ATOM 0 HG1 THR A 108 5.904 -0.948 -17.113 1.00 23.34 H new ATOM 0 HG21 THR A 108 3.529 -0.741 -17.052 1.00 64.13 H new ATOM 0 HG22 THR A 108 2.666 -1.619 -15.766 1.00 64.13 H new ATOM 0 HG23 THR A 108 3.663 -0.201 -15.362 1.00 64.13 H new ATOM 1857 N ASP A 109 7.167 -3.453 -14.026 1.00 41.43 N ATOM 1858 CA ASP A 109 8.194 -4.498 -13.889 1.00 12.53 C ATOM 1859 C ASP A 109 8.099 -5.118 -12.497 1.00 42.33 C ATOM 1860 O ASP A 109 8.111 -4.402 -11.491 1.00 55.22 O ATOM 1861 CB ASP A 109 9.614 -3.917 -14.103 1.00 0.14 C ATOM 1862 CG ASP A 109 9.798 -3.299 -15.491 1.00 74.41 C ATOM 1863 OD1 ASP A 109 9.485 -2.104 -15.662 1.00 74.32 O ATOM 1864 OD2 ASP A 109 10.226 -4.007 -16.421 1.00 73.51 O ATOM 0 H ASP A 109 7.529 -2.507 -13.910 1.00 41.43 H new ATOM 0 HA ASP A 109 8.019 -5.258 -14.650 1.00 12.53 H new ATOM 0 HB2 ASP A 109 9.810 -3.160 -13.344 1.00 0.14 H new ATOM 0 HB3 ASP A 109 10.351 -4.708 -13.962 1.00 0.14 H new ATOM 1869 N ASP A 110 8.037 -6.447 -12.457 1.00 40.40 N ATOM 1870 CA ASP A 110 7.843 -7.215 -11.219 1.00 2.32 C ATOM 1871 C ASP A 110 9.074 -7.096 -10.295 1.00 2.15 C ATOM 1872 O ASP A 110 8.943 -6.897 -9.082 1.00 74.10 O ATOM 1873 CB ASP A 110 7.563 -8.701 -11.566 1.00 0.53 C ATOM 1874 CG ASP A 110 6.409 -8.888 -12.573 1.00 5.25 C ATOM 1875 OD1 ASP A 110 5.277 -8.466 -12.280 1.00 32.13 O ATOM 1876 OD2 ASP A 110 6.636 -9.452 -13.663 1.00 51.43 O ATOM 0 H ASP A 110 8.120 -7.031 -13.289 1.00 40.40 H new ATOM 0 HA ASP A 110 6.986 -6.805 -10.684 1.00 2.32 H new ATOM 0 HB2 ASP A 110 8.469 -9.148 -11.976 1.00 0.53 H new ATOM 0 HB3 ASP A 110 7.327 -9.242 -10.650 1.00 0.53 H new ATOM 1881 N GLU A 111 10.273 -7.196 -10.896 1.00 55.00 N ATOM 1882 CA GLU A 111 11.549 -7.116 -10.160 1.00 64.23 C ATOM 1883 C GLU A 111 11.747 -5.702 -9.570 1.00 62.42 C ATOM 1884 O GLU A 111 12.205 -5.552 -8.429 1.00 45.43 O ATOM 1885 CB GLU A 111 12.737 -7.505 -11.087 1.00 13.43 C ATOM 1886 CG GLU A 111 12.929 -6.605 -12.323 1.00 34.05 C ATOM 1887 CD GLU A 111 14.149 -6.998 -13.169 1.00 30.55 C ATOM 1888 OE1 GLU A 111 15.267 -6.509 -12.883 1.00 12.20 O ATOM 1889 OE2 GLU A 111 14.000 -7.791 -14.117 1.00 21.44 O ATOM 0 H GLU A 111 10.386 -7.334 -11.900 1.00 55.00 H new ATOM 0 HA GLU A 111 11.518 -7.825 -9.333 1.00 64.23 H new ATOM 0 HB2 GLU A 111 13.655 -7.489 -10.500 1.00 13.43 H new ATOM 0 HB3 GLU A 111 12.592 -8.531 -11.424 1.00 13.43 H new ATOM 0 HG2 GLU A 111 12.034 -6.653 -12.943 1.00 34.05 H new ATOM 0 HG3 GLU A 111 13.037 -5.570 -11.999 1.00 34.05 H new ATOM 1896 N GLU A 112 11.335 -4.683 -10.352 1.00 42.31 N ATOM 1897 CA GLU A 112 11.472 -3.271 -9.976 1.00 72.40 C ATOM 1898 C GLU A 112 10.535 -2.951 -8.802 1.00 64.21 C ATOM 1899 O GLU A 112 10.918 -2.228 -7.892 1.00 45.12 O ATOM 1900 CB GLU A 112 11.170 -2.353 -11.191 1.00 24.02 C ATOM 1901 CG GLU A 112 11.523 -0.858 -10.994 1.00 32.25 C ATOM 1902 CD GLU A 112 13.028 -0.579 -10.793 1.00 73.22 C ATOM 1903 OE1 GLU A 112 13.870 -1.291 -11.380 1.00 21.15 O ATOM 1904 OE2 GLU A 112 13.380 0.368 -10.066 1.00 54.43 O ATOM 0 H GLU A 112 10.898 -4.822 -11.263 1.00 42.31 H new ATOM 0 HA GLU A 112 12.499 -3.085 -9.662 1.00 72.40 H new ATOM 0 HB2 GLU A 112 11.719 -2.728 -12.055 1.00 24.02 H new ATOM 0 HB3 GLU A 112 10.109 -2.431 -11.429 1.00 24.02 H new ATOM 0 HG2 GLU A 112 11.175 -0.298 -11.862 1.00 32.25 H new ATOM 0 HG3 GLU A 112 10.977 -0.479 -10.130 1.00 32.25 H new ATOM 1911 N ALA A 113 9.327 -3.554 -8.827 1.00 64.42 N ATOM 1912 CA ALA A 113 8.296 -3.375 -7.784 1.00 54.31 C ATOM 1913 C ALA A 113 8.831 -3.701 -6.379 1.00 10.41 C ATOM 1914 O ALA A 113 8.636 -2.919 -5.448 1.00 25.42 O ATOM 1915 CB ALA A 113 7.074 -4.244 -8.103 1.00 30.33 C ATOM 0 H ALA A 113 9.039 -4.183 -9.577 1.00 64.42 H new ATOM 0 HA ALA A 113 8.006 -2.324 -7.783 1.00 54.31 H new ATOM 0 HB1 ALA A 113 6.318 -4.107 -7.330 1.00 30.33 H new ATOM 0 HB2 ALA A 113 6.662 -3.952 -9.069 1.00 30.33 H new ATOM 0 HB3 ALA A 113 7.372 -5.292 -8.137 1.00 30.33 H new ATOM 1921 N LEU A 114 9.546 -4.843 -6.273 1.00 31.42 N ATOM 1922 CA LEU A 114 10.180 -5.311 -5.016 1.00 33.53 C ATOM 1923 C LEU A 114 11.124 -4.233 -4.443 1.00 21.53 C ATOM 1924 O LEU A 114 11.086 -3.918 -3.250 1.00 14.21 O ATOM 1925 CB LEU A 114 10.989 -6.611 -5.285 1.00 41.31 C ATOM 1926 CG LEU A 114 10.192 -7.808 -5.887 1.00 55.30 C ATOM 1927 CD1 LEU A 114 11.143 -8.947 -6.305 1.00 64.24 C ATOM 1928 CD2 LEU A 114 9.112 -8.313 -4.904 1.00 32.32 C ATOM 0 H LEU A 114 9.702 -5.471 -7.061 1.00 31.42 H new ATOM 0 HA LEU A 114 9.392 -5.510 -4.290 1.00 33.53 H new ATOM 0 HB2 LEU A 114 11.808 -6.370 -5.962 1.00 41.31 H new ATOM 0 HB3 LEU A 114 11.437 -6.936 -4.346 1.00 41.31 H new ATOM 0 HG LEU A 114 9.681 -7.453 -6.782 1.00 55.30 H new ATOM 0 HD11 LEU A 114 10.563 -9.770 -6.722 1.00 64.24 H new ATOM 0 HD12 LEU A 114 11.843 -8.580 -7.055 1.00 64.24 H new ATOM 0 HD13 LEU A 114 11.696 -9.297 -5.434 1.00 64.24 H new ATOM 0 HD21 LEU A 114 8.573 -9.148 -5.353 1.00 32.32 H new ATOM 0 HD22 LEU A 114 9.587 -8.642 -3.980 1.00 32.32 H new ATOM 0 HD23 LEU A 114 8.413 -7.506 -4.685 1.00 32.32 H new ATOM 1940 N LYS A 115 11.933 -3.658 -5.350 1.00 44.01 N ATOM 1941 CA LYS A 115 12.910 -2.605 -5.048 1.00 22.51 C ATOM 1942 C LYS A 115 12.214 -1.338 -4.503 1.00 41.42 C ATOM 1943 O LYS A 115 12.666 -0.759 -3.506 1.00 14.32 O ATOM 1944 CB LYS A 115 13.709 -2.284 -6.342 1.00 32.31 C ATOM 1945 CG LYS A 115 14.664 -1.077 -6.250 1.00 54.34 C ATOM 1946 CD LYS A 115 15.314 -0.744 -7.612 1.00 44.22 C ATOM 1947 CE LYS A 115 16.156 0.538 -7.572 1.00 23.33 C ATOM 1948 NZ LYS A 115 16.567 0.971 -8.936 1.00 11.55 N ATOM 0 H LYS A 115 11.923 -3.921 -6.335 1.00 44.01 H new ATOM 0 HA LYS A 115 13.591 -2.955 -4.272 1.00 22.51 H new ATOM 0 HB2 LYS A 115 14.290 -3.164 -6.617 1.00 32.31 H new ATOM 0 HB3 LYS A 115 13.000 -2.104 -7.150 1.00 32.31 H new ATOM 0 HG2 LYS A 115 14.115 -0.208 -5.889 1.00 54.34 H new ATOM 0 HG3 LYS A 115 15.444 -1.288 -5.518 1.00 54.34 H new ATOM 0 HD2 LYS A 115 15.944 -1.578 -7.922 1.00 44.22 H new ATOM 0 HD3 LYS A 115 14.534 -0.637 -8.365 1.00 44.22 H new ATOM 0 HE2 LYS A 115 15.584 1.334 -7.095 1.00 23.33 H new ATOM 0 HE3 LYS A 115 17.043 0.372 -6.961 1.00 23.33 H new ATOM 0 HZ1 LYS A 115 17.134 1.840 -8.868 1.00 11.55 H new ATOM 0 HZ2 LYS A 115 17.134 0.222 -9.382 1.00 11.55 H new ATOM 0 HZ3 LYS A 115 15.721 1.154 -9.512 1.00 11.55 H new ATOM 1962 N ILE A 116 11.092 -0.943 -5.149 1.00 14.15 N ATOM 1963 CA ILE A 116 10.353 0.289 -4.796 1.00 61.23 C ATOM 1964 C ILE A 116 9.720 0.173 -3.386 1.00 41.21 C ATOM 1965 O ILE A 116 9.687 1.154 -2.632 1.00 1.43 O ATOM 1966 CB ILE A 116 9.227 0.644 -5.841 1.00 55.10 C ATOM 1967 CG1 ILE A 116 9.753 0.627 -7.319 1.00 2.32 C ATOM 1968 CG2 ILE A 116 8.585 2.008 -5.511 1.00 30.44 C ATOM 1969 CD1 ILE A 116 10.931 1.543 -7.627 1.00 51.01 C ATOM 0 H ILE A 116 10.678 -1.464 -5.922 1.00 14.15 H new ATOM 0 HA ILE A 116 11.088 1.094 -4.806 1.00 61.23 H new ATOM 0 HB ILE A 116 8.467 -0.133 -5.762 1.00 55.10 H new ATOM 0 HG12 ILE A 116 10.040 -0.395 -7.568 1.00 2.32 H new ATOM 0 HG13 ILE A 116 8.928 0.897 -7.979 1.00 2.32 H new ATOM 0 HG21 ILE A 116 7.811 2.233 -6.245 1.00 30.44 H new ATOM 0 HG22 ILE A 116 8.142 1.970 -4.516 1.00 30.44 H new ATOM 0 HG23 ILE A 116 9.348 2.786 -5.539 1.00 30.44 H new ATOM 0 HD11 ILE A 116 11.204 1.444 -8.678 1.00 51.01 H new ATOM 0 HD12 ILE A 116 10.652 2.576 -7.420 1.00 51.01 H new ATOM 0 HD13 ILE A 116 11.781 1.265 -7.004 1.00 51.01 H new ATOM 1981 N VAL A 117 9.230 -1.041 -3.045 1.00 44.03 N ATOM 1982 CA VAL A 117 8.680 -1.345 -1.701 1.00 43.25 C ATOM 1983 C VAL A 117 9.741 -1.088 -0.617 1.00 51.31 C ATOM 1984 O VAL A 117 9.460 -0.484 0.425 1.00 14.01 O ATOM 1985 CB VAL A 117 8.210 -2.844 -1.577 1.00 23.42 C ATOM 1986 CG1 VAL A 117 7.660 -3.158 -0.168 1.00 71.41 C ATOM 1987 CG2 VAL A 117 7.174 -3.202 -2.649 1.00 63.04 C ATOM 0 H VAL A 117 9.204 -1.833 -3.687 1.00 44.03 H new ATOM 0 HA VAL A 117 7.819 -0.691 -1.563 1.00 43.25 H new ATOM 0 HB VAL A 117 9.093 -3.463 -1.738 1.00 23.42 H new ATOM 0 HG11 VAL A 117 7.347 -4.201 -0.124 1.00 71.41 H new ATOM 0 HG12 VAL A 117 8.438 -2.981 0.574 1.00 71.41 H new ATOM 0 HG13 VAL A 117 6.806 -2.514 0.041 1.00 71.41 H new ATOM 0 HG21 VAL A 117 6.874 -4.243 -2.532 1.00 63.04 H new ATOM 0 HG22 VAL A 117 6.301 -2.558 -2.541 1.00 63.04 H new ATOM 0 HG23 VAL A 117 7.610 -3.059 -3.638 1.00 63.04 H new ATOM 1997 N ARG A 118 10.969 -1.551 -0.908 1.00 13.24 N ATOM 1998 CA ARG A 118 12.111 -1.444 0.012 1.00 31.03 C ATOM 1999 C ARG A 118 12.558 0.023 0.180 1.00 12.23 C ATOM 2000 O ARG A 118 13.120 0.385 1.219 1.00 41.44 O ATOM 2001 CB ARG A 118 13.267 -2.369 -0.467 1.00 63.51 C ATOM 2002 CG ARG A 118 12.843 -3.856 -0.568 1.00 42.53 C ATOM 2003 CD ARG A 118 13.943 -4.794 -1.095 1.00 1.43 C ATOM 2004 NE ARG A 118 15.048 -4.979 -0.131 1.00 31.14 N ATOM 2005 CZ ARG A 118 15.673 -6.143 0.131 1.00 33.11 C ATOM 2006 NH1 ARG A 118 15.321 -7.276 -0.479 1.00 1.21 N ATOM 2007 NH2 ARG A 118 16.635 -6.181 1.043 1.00 24.55 N ATOM 0 H ARG A 118 11.196 -2.011 -1.790 1.00 13.24 H new ATOM 0 HA ARG A 118 11.804 -1.784 1.001 1.00 31.03 H new ATOM 0 HB2 ARG A 118 13.618 -2.029 -1.441 1.00 63.51 H new ATOM 0 HB3 ARG A 118 14.106 -2.281 0.223 1.00 63.51 H new ATOM 0 HG2 ARG A 118 12.530 -4.200 0.418 1.00 42.53 H new ATOM 0 HG3 ARG A 118 11.974 -3.930 -1.222 1.00 42.53 H new ATOM 0 HD2 ARG A 118 13.505 -5.764 -1.329 1.00 1.43 H new ATOM 0 HD3 ARG A 118 14.342 -4.391 -2.026 1.00 1.43 H new ATOM 0 HE ARG A 118 15.364 -4.155 0.380 1.00 31.14 H new ATOM 0 HH11 ARG A 118 14.563 -7.274 -1.161 1.00 1.21 H new ATOM 0 HH12 ARG A 118 15.810 -8.145 -0.263 1.00 1.21 H new ATOM 0 HH21 ARG A 118 16.898 -5.331 1.542 1.00 24.55 H new ATOM 0 HH22 ARG A 118 17.112 -7.060 1.245 1.00 24.55 H new ATOM 2021 N GLU A 119 12.267 0.870 -0.832 1.00 63.32 N ATOM 2022 CA GLU A 119 12.466 2.330 -0.727 1.00 11.30 C ATOM 2023 C GLU A 119 11.437 2.936 0.235 1.00 43.53 C ATOM 2024 O GLU A 119 11.795 3.710 1.113 1.00 12.42 O ATOM 2025 CB GLU A 119 12.338 3.036 -2.097 1.00 13.02 C ATOM 2026 CG GLU A 119 13.319 2.551 -3.170 1.00 24.12 C ATOM 2027 CD GLU A 119 13.309 3.471 -4.393 1.00 61.54 C ATOM 2028 OE1 GLU A 119 12.341 3.419 -5.179 1.00 73.45 O ATOM 2029 OE2 GLU A 119 14.246 4.288 -4.547 1.00 72.03 O ATOM 0 H GLU A 119 11.893 0.566 -1.731 1.00 63.32 H new ATOM 0 HA GLU A 119 13.477 2.486 -0.352 1.00 11.30 H new ATOM 0 HB2 GLU A 119 11.322 2.898 -2.466 1.00 13.02 H new ATOM 0 HB3 GLU A 119 12.482 4.107 -1.952 1.00 13.02 H new ATOM 0 HG2 GLU A 119 14.325 2.509 -2.753 1.00 24.12 H new ATOM 0 HG3 GLU A 119 13.057 1.537 -3.473 1.00 24.12 H new ATOM 2036 N PHE A 120 10.156 2.568 0.036 1.00 2.33 N ATOM 2037 CA PHE A 120 9.025 3.053 0.856 1.00 24.32 C ATOM 2038 C PHE A 120 9.213 2.751 2.348 1.00 33.23 C ATOM 2039 O PHE A 120 8.864 3.572 3.195 1.00 44.41 O ATOM 2040 CB PHE A 120 7.685 2.446 0.360 1.00 40.20 C ATOM 2041 CG PHE A 120 7.171 3.031 -0.953 1.00 35.43 C ATOM 2042 CD1 PHE A 120 7.281 4.401 -1.218 1.00 42.21 C ATOM 2043 CD2 PHE A 120 6.554 2.229 -1.906 1.00 33.15 C ATOM 2044 CE1 PHE A 120 6.790 4.937 -2.386 1.00 5.31 C ATOM 2045 CE2 PHE A 120 6.061 2.777 -3.072 1.00 64.13 C ATOM 2046 CZ PHE A 120 6.180 4.127 -3.310 1.00 30.32 C ATOM 0 H PHE A 120 9.874 1.923 -0.702 1.00 2.33 H new ATOM 0 HA PHE A 120 8.996 4.136 0.739 1.00 24.32 H new ATOM 0 HB2 PHE A 120 7.811 1.370 0.239 1.00 40.20 H new ATOM 0 HB3 PHE A 120 6.927 2.593 1.130 1.00 40.20 H new ATOM 0 HD1 PHE A 120 7.758 5.046 -0.495 1.00 42.21 H new ATOM 0 HD2 PHE A 120 6.460 1.167 -1.732 1.00 33.15 H new ATOM 0 HE1 PHE A 120 6.885 5.996 -2.576 1.00 5.31 H new ATOM 0 HE2 PHE A 120 5.579 2.143 -3.802 1.00 64.13 H new ATOM 0 HZ PHE A 120 5.793 4.549 -4.225 1.00 30.32 H new ATOM 2056 N MET A 121 9.753 1.562 2.639 1.00 11.41 N ATOM 2057 CA MET A 121 10.091 1.149 4.009 1.00 21.32 C ATOM 2058 C MET A 121 11.245 1.999 4.583 1.00 62.01 C ATOM 2059 O MET A 121 11.197 2.423 5.743 1.00 75.13 O ATOM 2060 CB MET A 121 10.440 -0.362 4.058 1.00 44.52 C ATOM 2061 CG MET A 121 9.268 -1.291 3.714 1.00 11.41 C ATOM 2062 SD MET A 121 9.635 -3.029 4.038 1.00 2.43 S ATOM 2063 CE MET A 121 10.955 -3.363 2.873 1.00 5.32 C ATOM 0 H MET A 121 9.969 0.858 1.933 1.00 11.41 H new ATOM 0 HA MET A 121 9.214 1.317 4.633 1.00 21.32 H new ATOM 0 HB2 MET A 121 11.259 -0.557 3.365 1.00 44.52 H new ATOM 0 HB3 MET A 121 10.802 -0.607 5.056 1.00 44.52 H new ATOM 0 HG2 MET A 121 8.393 -0.995 4.293 1.00 11.41 H new ATOM 0 HG3 MET A 121 9.010 -1.169 2.662 1.00 11.41 H new ATOM 0 HE1 MET A 121 11.260 -4.406 2.958 1.00 5.32 H new ATOM 0 HE2 MET A 121 10.604 -3.169 1.860 1.00 5.32 H new ATOM 0 HE3 MET A 121 11.805 -2.717 3.092 1.00 5.32 H new ATOM 2073 N GLN A 122 12.258 2.272 3.739 1.00 15.41 N ATOM 2074 CA GLN A 122 13.439 3.075 4.124 1.00 73.20 C ATOM 2075 C GLN A 122 13.029 4.532 4.465 1.00 63.14 C ATOM 2076 O GLN A 122 13.500 5.110 5.450 1.00 15.04 O ATOM 2077 CB GLN A 122 14.483 3.060 2.970 1.00 55.33 C ATOM 2078 CG GLN A 122 15.818 3.760 3.301 1.00 44.21 C ATOM 2079 CD GLN A 122 16.743 3.951 2.095 1.00 61.41 C ATOM 2080 OE1 GLN A 122 16.745 3.154 1.155 1.00 41.41 O ATOM 2081 NE2 GLN A 122 17.544 5.006 2.117 1.00 21.12 N ATOM 0 H GLN A 122 12.283 1.944 2.773 1.00 15.41 H new ATOM 0 HA GLN A 122 13.886 2.634 5.015 1.00 73.20 H new ATOM 0 HB2 GLN A 122 14.689 2.025 2.697 1.00 55.33 H new ATOM 0 HB3 GLN A 122 14.044 3.539 2.095 1.00 55.33 H new ATOM 0 HG2 GLN A 122 15.605 4.735 3.739 1.00 44.21 H new ATOM 0 HG3 GLN A 122 16.343 3.178 4.058 1.00 44.21 H new ATOM 0 HE21 GLN A 122 17.520 5.648 2.909 1.00 21.12 H new ATOM 0 HE22 GLN A 122 18.185 5.176 1.342 1.00 21.12 H new ATOM 2090 N LYS A 123 12.116 5.081 3.651 1.00 4.44 N ATOM 2091 CA LYS A 123 11.636 6.472 3.765 1.00 41.35 C ATOM 2092 C LYS A 123 10.655 6.622 4.937 1.00 22.40 C ATOM 2093 O LYS A 123 10.677 7.634 5.643 1.00 13.44 O ATOM 2094 CB LYS A 123 10.948 6.889 2.441 1.00 34.10 C ATOM 2095 CG LYS A 123 11.895 6.913 1.224 1.00 61.12 C ATOM 2096 CD LYS A 123 11.152 7.171 -0.103 1.00 62.42 C ATOM 2097 CE LYS A 123 12.108 7.278 -1.301 1.00 14.03 C ATOM 2098 NZ LYS A 123 13.039 8.433 -1.166 1.00 0.33 N ATOM 0 H LYS A 123 11.682 4.567 2.884 1.00 4.44 H new ATOM 0 HA LYS A 123 12.491 7.121 3.955 1.00 41.35 H new ATOM 0 HB2 LYS A 123 10.128 6.201 2.237 1.00 34.10 H new ATOM 0 HB3 LYS A 123 10.510 7.879 2.567 1.00 34.10 H new ATOM 0 HG2 LYS A 123 12.648 7.687 1.370 1.00 61.12 H new ATOM 0 HG3 LYS A 123 12.423 5.962 1.161 1.00 61.12 H new ATOM 0 HD2 LYS A 123 10.441 6.364 -0.280 1.00 62.42 H new ATOM 0 HD3 LYS A 123 10.575 8.092 -0.019 1.00 62.42 H new ATOM 0 HE2 LYS A 123 12.683 6.356 -1.390 1.00 14.03 H new ATOM 0 HE3 LYS A 123 11.530 7.383 -2.219 1.00 14.03 H new ATOM 0 HZ1 LYS A 123 13.524 8.595 -2.071 1.00 0.33 H new ATOM 0 HZ2 LYS A 123 12.501 9.284 -0.904 1.00 0.33 H new ATOM 0 HZ3 LYS A 123 13.743 8.227 -0.428 1.00 0.33 H new ATOM 2112 N ALA A 124 9.786 5.603 5.109 1.00 72.54 N ATOM 2113 CA ALA A 124 8.826 5.521 6.227 1.00 11.22 C ATOM 2114 C ALA A 124 9.506 5.747 7.585 1.00 65.02 C ATOM 2115 O ALA A 124 8.979 6.480 8.410 1.00 63.53 O ATOM 2116 CB ALA A 124 8.096 4.165 6.211 1.00 34.15 C ATOM 0 H ALA A 124 9.732 4.809 4.471 1.00 72.54 H new ATOM 0 HA ALA A 124 8.097 6.319 6.090 1.00 11.22 H new ATOM 0 HB1 ALA A 124 7.392 4.121 7.042 1.00 34.15 H new ATOM 0 HB2 ALA A 124 7.555 4.054 5.271 1.00 34.15 H new ATOM 0 HB3 ALA A 124 8.823 3.359 6.309 1.00 34.15 H new ATOM 2122 N GLY A 125 10.732 5.197 7.723 1.00 22.41 N ATOM 2123 CA GLY A 125 11.495 5.223 8.981 1.00 71.01 C ATOM 2124 C GLY A 125 11.644 6.610 9.627 1.00 12.42 C ATOM 2125 O GLY A 125 11.663 6.720 10.864 1.00 22.42 O ATOM 0 H GLY A 125 11.217 4.723 6.962 1.00 22.41 H new ATOM 0 HA2 GLY A 125 11.010 4.557 9.695 1.00 71.01 H new ATOM 0 HA3 GLY A 125 12.490 4.819 8.793 1.00 71.01 H new ATOM 2129 N SER A 126 11.715 7.671 8.788 1.00 20.21 N ATOM 2130 CA SER A 126 11.828 9.065 9.257 1.00 41.24 C ATOM 2131 C SER A 126 10.526 9.523 9.948 1.00 24.33 C ATOM 2132 O SER A 126 10.537 9.907 11.117 1.00 54.15 O ATOM 2133 CB SER A 126 12.174 10.002 8.074 1.00 13.02 C ATOM 2134 OG SER A 126 11.196 9.927 7.041 1.00 1.42 O ATOM 0 H SER A 126 11.695 7.581 7.772 1.00 20.21 H new ATOM 0 HA SER A 126 12.633 9.115 9.990 1.00 41.24 H new ATOM 0 HB2 SER A 126 12.247 11.029 8.432 1.00 13.02 H new ATOM 0 HB3 SER A 126 13.151 9.734 7.671 1.00 13.02 H new ATOM 0 HG SER A 126 11.263 9.060 6.590 1.00 1.42 H new ATOM 2140 N LEU A 127 9.399 9.382 9.232 1.00 41.32 N ATOM 2141 CA LEU A 127 8.077 9.862 9.695 1.00 63.52 C ATOM 2142 C LEU A 127 7.538 8.941 10.810 1.00 23.53 C ATOM 2143 O LEU A 127 6.740 9.362 11.655 1.00 64.45 O ATOM 2144 CB LEU A 127 7.075 9.885 8.507 1.00 42.14 C ATOM 2145 CG LEU A 127 7.523 10.640 7.217 1.00 73.44 C ATOM 2146 CD1 LEU A 127 6.450 10.524 6.110 1.00 60.34 C ATOM 2147 CD2 LEU A 127 7.866 12.107 7.523 1.00 74.20 C ATOM 0 H LEU A 127 9.373 8.933 8.316 1.00 41.32 H new ATOM 0 HA LEU A 127 8.190 10.872 10.090 1.00 63.52 H new ATOM 0 HB2 LEU A 127 6.849 8.854 8.235 1.00 42.14 H new ATOM 0 HB3 LEU A 127 6.145 10.334 8.857 1.00 42.14 H new ATOM 0 HG LEU A 127 8.432 10.166 6.846 1.00 73.44 H new ATOM 0 HD11 LEU A 127 6.785 11.058 5.221 1.00 60.34 H new ATOM 0 HD12 LEU A 127 6.293 9.474 5.864 1.00 60.34 H new ATOM 0 HD13 LEU A 127 5.515 10.958 6.463 1.00 60.34 H new ATOM 0 HD21 LEU A 127 8.175 12.608 6.605 1.00 74.20 H new ATOM 0 HD22 LEU A 127 6.989 12.608 7.932 1.00 74.20 H new ATOM 0 HD23 LEU A 127 8.678 12.147 8.249 1.00 74.20 H new ATOM 2159 N GLU A 128 8.012 7.683 10.772 1.00 51.35 N ATOM 2160 CA GLU A 128 7.595 6.604 11.669 1.00 21.10 C ATOM 2161 C GLU A 128 8.070 6.873 13.095 1.00 63.42 C ATOM 2162 O GLU A 128 7.267 6.916 14.023 1.00 31.04 O ATOM 2163 CB GLU A 128 8.157 5.243 11.155 1.00 3.40 C ATOM 2164 CG GLU A 128 7.856 4.026 12.050 1.00 21.35 C ATOM 2165 CD GLU A 128 6.360 3.859 12.339 1.00 33.04 C ATOM 2166 OE1 GLU A 128 5.657 3.310 11.496 1.00 62.34 O ATOM 2167 OE2 GLU A 128 5.892 4.311 13.397 1.00 42.10 O ATOM 0 H GLU A 128 8.715 7.386 10.095 1.00 51.35 H new ATOM 0 HA GLU A 128 6.506 6.558 11.679 1.00 21.10 H new ATOM 0 HB2 GLU A 128 7.750 5.052 10.162 1.00 3.40 H new ATOM 0 HB3 GLU A 128 9.238 5.333 11.044 1.00 3.40 H new ATOM 0 HG2 GLU A 128 8.231 3.124 11.567 1.00 21.35 H new ATOM 0 HG3 GLU A 128 8.394 4.131 12.992 1.00 21.35 H new ATOM 2174 N HIS A 129 9.388 7.078 13.239 1.00 34.15 N ATOM 2175 CA HIS A 129 10.033 7.262 14.553 1.00 62.24 C ATOM 2176 C HIS A 129 9.603 8.601 15.221 1.00 20.54 C ATOM 2177 O HIS A 129 9.892 8.842 16.398 1.00 54.41 O ATOM 2178 CB HIS A 129 11.571 7.175 14.383 1.00 2.44 C ATOM 2179 CG HIS A 129 12.344 7.032 15.670 1.00 63.33 C ATOM 2180 ND1 HIS A 129 13.219 7.990 16.134 1.00 61.32 N ATOM 2181 CD2 HIS A 129 12.397 6.019 16.573 1.00 5.43 C ATOM 2182 CE1 HIS A 129 13.766 7.580 17.258 1.00 71.34 C ATOM 2183 NE2 HIS A 129 13.287 6.391 17.546 1.00 74.54 N ATOM 0 H HIS A 129 10.037 7.121 12.453 1.00 34.15 H new ATOM 0 HA HIS A 129 9.706 6.466 15.222 1.00 62.24 H new ATOM 0 HB2 HIS A 129 11.804 6.326 13.740 1.00 2.44 H new ATOM 0 HB3 HIS A 129 11.916 8.070 13.866 1.00 2.44 H new ATOM 0 HD2 HIS A 129 11.842 5.094 16.532 1.00 5.43 H new ATOM 0 HE1 HIS A 129 14.488 8.129 17.845 1.00 71.34 H new ATOM 0 HE2 HIS A 129 13.538 5.834 18.363 1.00 74.54 H new ATOM 2192 N HIS A 130 8.917 9.461 14.442 1.00 2.51 N ATOM 2193 CA HIS A 130 8.307 10.720 14.914 1.00 31.01 C ATOM 2194 C HIS A 130 6.768 10.574 14.968 1.00 13.22 C ATOM 2195 O HIS A 130 6.224 9.487 14.725 1.00 70.02 O ATOM 2196 CB HIS A 130 8.714 11.874 13.958 1.00 64.02 C ATOM 2197 CG HIS A 130 10.207 12.077 13.848 1.00 13.32 C ATOM 2198 ND1 HIS A 130 10.893 12.041 12.656 1.00 51.32 N ATOM 2199 CD2 HIS A 130 11.143 12.295 14.798 1.00 74.31 C ATOM 2200 CE1 HIS A 130 12.176 12.231 12.876 1.00 22.15 C ATOM 2201 NE2 HIS A 130 12.353 12.386 14.166 1.00 62.44 N ATOM 0 H HIS A 130 8.769 9.296 13.446 1.00 2.51 H new ATOM 0 HA HIS A 130 8.664 10.948 15.919 1.00 31.01 H new ATOM 0 HB2 HIS A 130 8.310 11.671 12.966 1.00 64.02 H new ATOM 0 HB3 HIS A 130 8.255 12.800 14.305 1.00 64.02 H new ATOM 0 HD1 HIS A 130 10.471 11.890 11.740 1.00 51.32 H new ATOM 0 HD2 HIS A 130 10.968 12.381 15.860 1.00 74.31 H new ATOM 0 HE1 HIS A 130 12.950 12.255 12.124 1.00 22.15 H new ATOM 2210 N HIS A 131 6.070 11.671 15.316 1.00 52.31 N ATOM 2211 CA HIS A 131 4.600 11.735 15.254 1.00 72.04 C ATOM 2212 C HIS A 131 4.160 12.289 13.887 1.00 23.15 C ATOM 2213 O HIS A 131 3.665 11.537 13.038 1.00 12.44 O ATOM 2214 CB HIS A 131 4.018 12.565 16.436 1.00 73.10 C ATOM 2215 CG HIS A 131 3.930 11.800 17.734 1.00 21.03 C ATOM 2216 ND1 HIS A 131 5.017 11.531 18.532 1.00 45.12 N ATOM 2217 CD2 HIS A 131 2.869 11.220 18.350 1.00 25.43 C ATOM 2218 CE1 HIS A 131 4.632 10.820 19.575 1.00 14.41 C ATOM 2219 NE2 HIS A 131 3.336 10.620 19.487 1.00 51.42 N ATOM 0 H HIS A 131 6.507 12.532 15.646 1.00 52.31 H new ATOM 0 HA HIS A 131 4.198 10.727 15.357 1.00 72.04 H new ATOM 0 HB2 HIS A 131 4.638 13.448 16.587 1.00 73.10 H new ATOM 0 HB3 HIS A 131 3.023 12.917 16.165 1.00 73.10 H new ATOM 0 HD2 HIS A 131 1.845 11.230 18.006 1.00 25.43 H new ATOM 0 HE1 HIS A 131 5.273 10.463 20.367 1.00 14.41 H new ATOM 0 HE2 HIS A 131 2.770 10.101 20.158 1.00 51.42 H new ATOM 2228 N HIS A 132 4.365 13.600 13.659 1.00 1.11 N ATOM 2229 CA HIS A 132 3.953 14.272 12.405 1.00 72.13 C ATOM 2230 C HIS A 132 5.092 15.137 11.846 1.00 4.52 C ATOM 2231 O HIS A 132 5.750 15.879 12.582 1.00 3.23 O ATOM 2232 CB HIS A 132 2.689 15.167 12.615 1.00 64.20 C ATOM 2233 CG HIS A 132 1.385 14.418 12.740 1.00 1.41 C ATOM 2234 ND1 HIS A 132 0.438 14.390 11.733 1.00 1.44 N ATOM 2235 CD2 HIS A 132 0.857 13.696 13.759 1.00 74.31 C ATOM 2236 CE1 HIS A 132 -0.601 13.684 12.124 1.00 32.42 C ATOM 2237 NE2 HIS A 132 -0.375 13.254 13.346 1.00 42.11 N ATOM 0 H HIS A 132 4.816 14.221 14.330 1.00 1.11 H new ATOM 0 HA HIS A 132 3.709 13.484 11.692 1.00 72.13 H new ATOM 0 HB2 HIS A 132 2.833 15.766 13.514 1.00 64.20 H new ATOM 0 HB3 HIS A 132 2.612 15.861 11.778 1.00 64.20 H new ATOM 0 HD1 HIS A 132 0.531 14.847 10.826 1.00 1.44 H new ATOM 0 HD2 HIS A 132 1.319 13.505 14.716 1.00 74.31 H new ATOM 0 HE1 HIS A 132 -1.489 13.490 11.540 1.00 32.42 H new ATOM 2246 N HIS A 133 5.324 14.994 10.536 1.00 21.12 N ATOM 2247 CA HIS A 133 6.046 15.981 9.709 1.00 61.53 C ATOM 2248 C HIS A 133 5.026 16.625 8.734 1.00 43.42 C ATOM 2249 O HIS A 133 5.325 17.600 8.042 1.00 1.12 O ATOM 2250 CB HIS A 133 7.211 15.282 8.951 1.00 62.23 C ATOM 2251 CG HIS A 133 8.288 16.206 8.424 1.00 52.35 C ATOM 2252 ND1 HIS A 133 9.456 16.459 9.115 1.00 12.44 N ATOM 2253 CD2 HIS A 133 8.399 16.889 7.260 1.00 61.14 C ATOM 2254 CE1 HIS A 133 10.221 17.266 8.409 1.00 20.24 C ATOM 2255 NE2 HIS A 133 9.606 17.537 7.279 1.00 62.05 N ATOM 0 H HIS A 133 5.013 14.179 10.008 1.00 21.12 H new ATOM 0 HA HIS A 133 6.488 16.762 10.327 1.00 61.53 H new ATOM 0 HB2 HIS A 133 7.674 14.556 9.620 1.00 62.23 H new ATOM 0 HB3 HIS A 133 6.794 14.723 8.114 1.00 62.23 H new ATOM 0 HD2 HIS A 133 7.670 16.918 6.463 1.00 61.14 H new ATOM 0 HE1 HIS A 133 11.189 17.641 8.708 1.00 20.24 H new ATOM 0 HE2 HIS A 133 9.969 18.134 6.536 1.00 62.05 H new ATOM 2264 N HIS A 134 3.805 16.045 8.720 1.00 41.25 N ATOM 2265 CA HIS A 134 2.669 16.465 7.899 1.00 34.32 C ATOM 2266 C HIS A 134 1.377 16.054 8.649 1.00 73.12 C ATOM 2267 O HIS A 134 1.144 14.836 8.809 1.00 45.53 O ATOM 2268 CB HIS A 134 2.742 15.797 6.495 1.00 50.44 C ATOM 2269 CG HIS A 134 1.568 16.089 5.589 1.00 11.43 C ATOM 2270 ND1 HIS A 134 1.029 15.151 4.730 1.00 4.22 N ATOM 2271 CD2 HIS A 134 0.851 17.223 5.386 1.00 35.42 C ATOM 2272 CE1 HIS A 134 0.039 15.693 4.046 1.00 4.32 C ATOM 2273 NE2 HIS A 134 -0.085 16.944 4.426 1.00 64.01 N ATOM 2274 OXT HIS A 134 0.617 16.934 9.089 1.00 36.69 O ATOM 0 H HIS A 134 3.585 15.240 9.307 1.00 41.25 H new ATOM 0 HA HIS A 134 2.681 17.544 7.742 1.00 34.32 H new ATOM 0 HB2 HIS A 134 3.655 16.126 5.999 1.00 50.44 H new ATOM 0 HB3 HIS A 134 2.821 14.718 6.626 1.00 50.44 H new ATOM 0 HD2 HIS A 134 0.992 18.169 5.888 1.00 35.42 H new ATOM 0 HE1 HIS A 134 -0.565 15.194 3.302 1.00 4.32 H new ATOM 0 HE2 HIS A 134 -0.772 17.605 4.063 1.00 64.01 H new TER 2283 HIS A 134