USER MOD reduce.3.24.130724 H: found=0, std=0, add=1275, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1275 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 95 LYS NZ :NH3+ 163:sc= 0.685 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot -1:sc= 1.1 USER MOD Set 2.1: A 26 ASN : amide:sc= 0.0492 K(o=-1.4,f=-10!) USER MOD Set 2.2: A 49 GLN : amide:sc= -1.48 X(o=-1.4,f=-1.9!) USER MOD Set 3.1: A 18 THR OG1 : rot 4:sc= 1.36 USER MOD Set 3.2: A 36 SER OG : rot -109:sc= -0.0639 USER MOD Set 4.1: A 10 THR OG1 : rot 110:sc= 1.62 USER MOD Set 4.2: A 12 TYR OH : rot 180:sc= -0.0983 USER MOD Set 4.3: A 73 HIS : no HD1:sc= -0.291 X(o=1.2,f=1.6) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -120:sc= 1.67 (180deg=0.748) USER MOD Set 5.2: A 151 GLN : amide:sc= -1.97! K(o=-0.3!,f=-5.3) USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00681 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.47 (180deg=-0.477) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -10:sc= 1.1 USER MOD Single : A 15 LYS NZ :NH3+ 136:sc= 1.21 (180deg=0.341) USER MOD Single : A 16 GLN : amide:sc=-0.000681 X(o=-0.00068,f=-0.00068) USER MOD Single : A 20 MET CE :methyl -115:sc= -1.51 (180deg=-4.99!) USER MOD Single : A 24 TYR OH : rot 91:sc= -1.61 USER MOD Single : A 27 SER OG : rot -32:sc= 0.125 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.8! C(o=-1.8!,f=-5.4!) USER MOD Single : A 37 ASN : amide:sc= -0.0522 K(o=-0.052,f=-0.97) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -136:sc= 0.149 USER MOD Single : A 58 MET CE :methyl 153:sc= -0.051 (180deg=-0.829) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0036 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 42:sc= 0.169 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.892 F(o=-5.4!,f=-0.89) USER MOD Single : A 87 LYS NZ :NH3+ -117:sc= 0.44 (180deg=-0.0876) USER MOD Single : A 89 LYS NZ :NH3+ 141:sc= 1.39 (180deg=0.283) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 100 SER OG : rot 180:sc= -0.14 USER MOD Single : A 104 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.0071) USER MOD Single : A 114 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.19) USER MOD Single : A 115 THR OG1 : rot 156:sc= 1.07 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.261 K(o=-0.26,f=-4.4!) USER MOD Single : A 119 TYR OH : rot 109:sc= 0.917 USER MOD Single : A 120 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.099) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.202 F(o=-1.1,f=-0.2) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= -0.244 K(o=-0.24,f=-2.4) USER MOD Single : A 140 GLN : amide:sc= -0.695 K(o=-0.69,f=-2.7!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.013) USER MOD Single : A 156 HIS : +bothHN:sc= -0.176 K(o=-0.18,f=-2.5!) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.014) USER MOD Single : A 159 HIS : no HD1:sc= 0.138 K(o=0.14,f=-0.96) USER MOD Single : A 160 HIS : no HD1:sc=-0.00936 X(o=-0.0094,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.443 8.721 -18.129 1.00 43.42 N ATOM 2 CA MET A 1 -18.375 9.007 -17.012 1.00 32.13 C ATOM 3 C MET A 1 -19.661 8.149 -17.095 1.00 54.33 C ATOM 4 O MET A 1 -20.373 8.007 -16.097 1.00 32.24 O ATOM 5 CB MET A 1 -18.726 10.515 -16.982 1.00 62.01 C ATOM 6 CG MET A 1 -19.471 11.029 -18.223 1.00 31.20 C ATOM 7 SD MET A 1 -18.453 11.036 -19.719 1.00 62.24 S ATOM 8 CE MET A 1 -17.262 12.335 -19.365 1.00 34.05 C ATOM 0 H1 MET A 1 -16.463 8.830 -17.800 1.00 43.42 H new ATOM 0 H2 MET A 1 -17.590 7.747 -18.463 1.00 43.42 H new ATOM 0 H3 MET A 1 -17.622 9.385 -18.909 1.00 43.42 H new ATOM 0 HA MET A 1 -17.870 8.740 -16.084 1.00 32.13 H new ATOM 0 HB2 MET A 1 -19.336 10.714 -16.101 1.00 62.01 H new ATOM 0 HB3 MET A 1 -17.805 11.086 -16.867 1.00 62.01 H new ATOM 0 HG2 MET A 1 -20.350 10.408 -18.393 1.00 31.20 H new ATOM 0 HG3 MET A 1 -19.828 12.041 -18.030 1.00 31.20 H new ATOM 0 HE1 MET A 1 -16.731 12.600 -20.279 1.00 34.05 H new ATOM 0 HE2 MET A 1 -17.783 13.212 -18.981 1.00 34.05 H new ATOM 0 HE3 MET A 1 -16.549 11.982 -18.620 1.00 34.05 H new ATOM 20 N VAL A 2 -19.958 7.582 -18.291 1.00 62.22 N ATOM 21 CA VAL A 2 -21.169 6.752 -18.533 1.00 11.41 C ATOM 22 C VAL A 2 -20.991 5.310 -17.964 1.00 15.40 C ATOM 23 O VAL A 2 -21.939 4.519 -17.913 1.00 53.55 O ATOM 24 CB VAL A 2 -21.513 6.750 -20.084 1.00 40.35 C ATOM 25 CG1 VAL A 2 -22.779 5.924 -20.429 1.00 72.43 C ATOM 26 CG2 VAL A 2 -21.654 8.205 -20.612 1.00 31.02 C ATOM 0 H VAL A 2 -19.366 7.686 -19.115 1.00 62.22 H new ATOM 0 HA VAL A 2 -22.014 7.188 -18.000 1.00 11.41 H new ATOM 0 HB VAL A 2 -20.678 6.261 -20.585 1.00 40.35 H new ATOM 0 HG11 VAL A 2 -22.958 5.964 -21.503 1.00 72.43 H new ATOM 0 HG12 VAL A 2 -22.632 4.888 -20.124 1.00 72.43 H new ATOM 0 HG13 VAL A 2 -23.639 6.339 -19.902 1.00 72.43 H new ATOM 0 HG21 VAL A 2 -21.890 8.185 -21.676 1.00 31.02 H new ATOM 0 HG22 VAL A 2 -22.454 8.712 -20.073 1.00 31.02 H new ATOM 0 HG23 VAL A 2 -20.717 8.740 -20.458 1.00 31.02 H new ATOM 36 N GLU A 3 -19.767 5.013 -17.488 1.00 73.30 N ATOM 37 CA GLU A 3 -19.399 3.721 -16.852 1.00 2.51 C ATOM 38 C GLU A 3 -20.321 3.386 -15.644 1.00 31.10 C ATOM 39 O GLU A 3 -20.816 4.311 -14.998 1.00 23.13 O ATOM 40 CB GLU A 3 -17.910 3.742 -16.384 1.00 72.34 C ATOM 41 CG GLU A 3 -16.853 3.974 -17.493 1.00 12.13 C ATOM 42 CD GLU A 3 -16.714 5.444 -17.913 1.00 55.04 C ATOM 43 OE1 GLU A 3 -16.061 6.217 -17.181 1.00 21.20 O ATOM 44 OE2 GLU A 3 -17.282 5.850 -18.952 1.00 13.43 O ATOM 0 H GLU A 3 -18.989 5.671 -17.532 1.00 73.30 H new ATOM 0 HA GLU A 3 -19.531 2.945 -17.606 1.00 2.51 H new ATOM 0 HB2 GLU A 3 -17.797 4.524 -15.633 1.00 72.34 H new ATOM 0 HB3 GLU A 3 -17.691 2.794 -15.893 1.00 72.34 H new ATOM 0 HG2 GLU A 3 -15.886 3.612 -17.143 1.00 12.13 H new ATOM 0 HG3 GLU A 3 -17.119 3.379 -18.367 1.00 12.13 H new ATOM 51 N PRO A 4 -20.564 2.056 -15.340 1.00 43.53 N ATOM 52 CA PRO A 4 -21.446 1.608 -14.220 1.00 54.00 C ATOM 53 C PRO A 4 -20.863 1.890 -12.806 1.00 5.32 C ATOM 54 O PRO A 4 -20.521 0.954 -12.074 1.00 65.40 O ATOM 55 CB PRO A 4 -21.616 0.069 -14.479 1.00 20.40 C ATOM 56 CG PRO A 4 -21.064 -0.186 -15.852 1.00 43.25 C ATOM 57 CD PRO A 4 -20.020 0.886 -16.081 1.00 75.44 C ATOM 0 HA PRO A 4 -22.388 2.157 -14.214 1.00 54.00 H new ATOM 0 HB2 PRO A 4 -21.081 -0.514 -13.729 1.00 20.40 H new ATOM 0 HB3 PRO A 4 -22.665 -0.223 -14.420 1.00 20.40 H new ATOM 0 HG2 PRO A 4 -20.624 -1.181 -15.918 1.00 43.25 H new ATOM 0 HG3 PRO A 4 -21.850 -0.134 -16.606 1.00 43.25 H new ATOM 0 HD2 PRO A 4 -19.044 0.586 -15.699 1.00 75.44 H new ATOM 0 HD3 PRO A 4 -19.893 1.105 -17.141 1.00 75.44 H new ATOM 65 N GLY A 5 -20.756 3.189 -12.456 1.00 34.33 N ATOM 66 CA GLY A 5 -20.317 3.645 -11.134 1.00 22.40 C ATOM 67 C GLY A 5 -18.987 3.064 -10.658 1.00 44.52 C ATOM 68 O GLY A 5 -18.914 2.556 -9.541 1.00 3.11 O ATOM 0 H GLY A 5 -20.976 3.953 -13.095 1.00 34.33 H new ATOM 0 HA2 GLY A 5 -20.236 4.732 -11.150 1.00 22.40 H new ATOM 0 HA3 GLY A 5 -21.088 3.393 -10.405 1.00 22.40 H new ATOM 72 N VAL A 6 -17.943 3.122 -11.512 1.00 61.01 N ATOM 73 CA VAL A 6 -16.608 2.553 -11.196 1.00 33.25 C ATOM 74 C VAL A 6 -15.949 3.300 -10.003 1.00 73.22 C ATOM 75 O VAL A 6 -15.266 4.321 -10.177 1.00 10.13 O ATOM 76 CB VAL A 6 -15.659 2.542 -12.462 1.00 64.33 C ATOM 77 CG1 VAL A 6 -14.271 1.918 -12.140 1.00 33.32 C ATOM 78 CG2 VAL A 6 -16.339 1.812 -13.651 1.00 54.23 C ATOM 0 H VAL A 6 -17.996 3.559 -12.432 1.00 61.01 H new ATOM 0 HA VAL A 6 -16.759 1.515 -10.899 1.00 33.25 H new ATOM 0 HB VAL A 6 -15.484 3.578 -12.751 1.00 64.33 H new ATOM 0 HG11 VAL A 6 -13.650 1.930 -13.036 1.00 33.32 H new ATOM 0 HG12 VAL A 6 -13.785 2.497 -11.354 1.00 33.32 H new ATOM 0 HG13 VAL A 6 -14.404 0.890 -11.804 1.00 33.32 H new ATOM 0 HG21 VAL A 6 -15.670 1.816 -14.511 1.00 54.23 H new ATOM 0 HG22 VAL A 6 -16.560 0.783 -13.368 1.00 54.23 H new ATOM 0 HG23 VAL A 6 -17.266 2.324 -13.910 1.00 54.23 H new ATOM 88 N ALA A 7 -16.239 2.802 -8.781 1.00 65.23 N ATOM 89 CA ALA A 7 -15.695 3.333 -7.518 1.00 41.13 C ATOM 90 C ALA A 7 -14.582 2.403 -6.999 1.00 63.05 C ATOM 91 O ALA A 7 -14.830 1.479 -6.211 1.00 63.11 O ATOM 92 CB ALA A 7 -16.824 3.505 -6.485 1.00 13.30 C ATOM 0 H ALA A 7 -16.866 2.009 -8.646 1.00 65.23 H new ATOM 0 HA ALA A 7 -15.257 4.316 -7.692 1.00 41.13 H new ATOM 0 HB1 ALA A 7 -16.411 3.898 -5.556 1.00 13.30 H new ATOM 0 HB2 ALA A 7 -17.569 4.200 -6.873 1.00 13.30 H new ATOM 0 HB3 ALA A 7 -17.293 2.540 -6.294 1.00 13.30 H new ATOM 98 N LYS A 8 -13.372 2.640 -7.508 1.00 51.52 N ATOM 99 CA LYS A 8 -12.159 1.868 -7.186 1.00 15.35 C ATOM 100 C LYS A 8 -10.947 2.702 -7.616 1.00 33.11 C ATOM 101 O LYS A 8 -11.043 3.464 -8.594 1.00 62.21 O ATOM 102 CB LYS A 8 -12.169 0.488 -7.928 1.00 2.43 C ATOM 103 CG LYS A 8 -10.884 -0.372 -7.758 1.00 41.14 C ATOM 104 CD LYS A 8 -10.960 -1.722 -8.519 1.00 50.24 C ATOM 105 CE LYS A 8 -9.616 -2.480 -8.549 1.00 45.11 C ATOM 106 NZ LYS A 8 -9.102 -2.811 -7.192 1.00 43.33 N ATOM 0 H LYS A 8 -13.198 3.393 -8.174 1.00 51.52 H new ATOM 0 HA LYS A 8 -12.116 1.662 -6.116 1.00 15.35 H new ATOM 0 HB2 LYS A 8 -13.022 -0.090 -7.572 1.00 2.43 H new ATOM 0 HB3 LYS A 8 -12.327 0.668 -8.991 1.00 2.43 H new ATOM 0 HG2 LYS A 8 -10.024 0.194 -8.116 1.00 41.14 H new ATOM 0 HG3 LYS A 8 -10.720 -0.566 -6.698 1.00 41.14 H new ATOM 0 HD2 LYS A 8 -11.715 -2.353 -8.051 1.00 50.24 H new ATOM 0 HD3 LYS A 8 -11.288 -1.537 -9.542 1.00 50.24 H new ATOM 0 HE2 LYS A 8 -9.738 -3.401 -9.119 1.00 45.11 H new ATOM 0 HE3 LYS A 8 -8.876 -1.875 -9.074 1.00 45.11 H new ATOM 0 HZ1 LYS A 8 -8.173 -2.364 -7.054 1.00 43.33 H new ATOM 0 HZ2 LYS A 8 -9.766 -2.458 -6.474 1.00 43.33 H new ATOM 0 HZ3 LYS A 8 -9.007 -3.842 -7.099 1.00 43.33 H new ATOM 120 N LEU A 9 -9.823 2.585 -6.882 1.00 44.11 N ATOM 121 CA LEU A 9 -8.562 3.210 -7.297 1.00 22.53 C ATOM 122 C LEU A 9 -8.045 2.481 -8.553 1.00 63.35 C ATOM 123 O LEU A 9 -7.774 1.273 -8.514 1.00 35.21 O ATOM 124 CB LEU A 9 -7.495 3.170 -6.171 1.00 41.34 C ATOM 125 CG LEU A 9 -6.229 4.052 -6.432 1.00 42.32 C ATOM 126 CD1 LEU A 9 -6.592 5.549 -6.409 1.00 62.33 C ATOM 127 CD2 LEU A 9 -5.094 3.744 -5.437 1.00 4.41 C ATOM 0 H LEU A 9 -9.767 2.066 -6.006 1.00 44.11 H new ATOM 0 HA LEU A 9 -8.748 4.261 -7.517 1.00 22.53 H new ATOM 0 HB2 LEU A 9 -7.959 3.493 -5.239 1.00 41.34 H new ATOM 0 HB3 LEU A 9 -7.177 2.137 -6.028 1.00 41.34 H new ATOM 0 HG LEU A 9 -5.859 3.802 -7.426 1.00 42.32 H new ATOM 0 HD11 LEU A 9 -5.697 6.143 -6.593 1.00 62.33 H new ATOM 0 HD12 LEU A 9 -7.330 5.756 -7.184 1.00 62.33 H new ATOM 0 HD13 LEU A 9 -7.006 5.808 -5.434 1.00 62.33 H new ATOM 0 HD21 LEU A 9 -4.236 4.379 -5.656 1.00 4.41 H new ATOM 0 HD22 LEU A 9 -5.439 3.937 -4.421 1.00 4.41 H new ATOM 0 HD23 LEU A 9 -4.803 2.697 -5.529 1.00 4.41 H new ATOM 139 N THR A 10 -7.941 3.235 -9.649 1.00 75.42 N ATOM 140 CA THR A 10 -7.623 2.724 -10.991 1.00 71.12 C ATOM 141 C THR A 10 -6.119 2.403 -11.166 1.00 54.04 C ATOM 142 O THR A 10 -5.292 2.675 -10.278 1.00 64.05 O ATOM 143 CB THR A 10 -8.126 3.761 -12.057 1.00 1.25 C ATOM 144 OG1 THR A 10 -7.886 5.093 -11.570 1.00 61.34 O ATOM 145 CG2 THR A 10 -9.628 3.601 -12.368 1.00 3.43 C ATOM 0 H THR A 10 -8.079 4.246 -9.631 1.00 75.42 H new ATOM 0 HA THR A 10 -8.139 1.775 -11.134 1.00 71.12 H new ATOM 0 HB THR A 10 -7.576 3.578 -12.980 1.00 1.25 H new ATOM 0 HG1 THR A 10 -7.172 5.510 -12.096 1.00 61.34 H new ATOM 0 HG21 THR A 10 -9.927 4.341 -13.111 1.00 3.43 H new ATOM 0 HG22 THR A 10 -9.814 2.600 -12.758 1.00 3.43 H new ATOM 0 HG23 THR A 10 -10.206 3.749 -11.456 1.00 3.43 H new ATOM 153 N THR A 11 -5.796 1.824 -12.340 1.00 15.43 N ATOM 154 CA THR A 11 -4.486 1.224 -12.642 1.00 63.02 C ATOM 155 C THR A 11 -3.309 2.216 -12.489 1.00 43.33 C ATOM 156 O THR A 11 -2.403 1.961 -11.698 1.00 62.34 O ATOM 157 CB THR A 11 -4.493 0.600 -14.079 1.00 24.12 C ATOM 158 OG1 THR A 11 -4.964 1.573 -15.027 1.00 42.11 O ATOM 159 CG2 THR A 11 -5.386 -0.657 -14.155 1.00 10.30 C ATOM 0 H THR A 11 -6.453 1.760 -13.118 1.00 15.43 H new ATOM 0 HA THR A 11 -4.325 0.440 -11.903 1.00 63.02 H new ATOM 0 HB THR A 11 -3.471 0.304 -14.316 1.00 24.12 H new ATOM 0 HG1 THR A 11 -4.966 1.181 -15.925 1.00 42.11 H new ATOM 0 HG21 THR A 11 -5.363 -1.059 -15.168 1.00 10.30 H new ATOM 0 HG22 THR A 11 -5.016 -1.409 -13.458 1.00 10.30 H new ATOM 0 HG23 THR A 11 -6.410 -0.392 -13.893 1.00 10.30 H new ATOM 167 N TYR A 12 -3.370 3.359 -13.208 1.00 55.34 N ATOM 168 CA TYR A 12 -2.275 4.366 -13.254 1.00 53.21 C ATOM 169 C TYR A 12 -1.801 4.813 -11.848 1.00 34.33 C ATOM 170 O TYR A 12 -0.608 5.001 -11.618 1.00 40.31 O ATOM 171 CB TYR A 12 -2.711 5.598 -14.096 1.00 74.53 C ATOM 172 CG TYR A 12 -3.978 6.317 -13.589 1.00 52.21 C ATOM 173 CD1 TYR A 12 -3.910 7.342 -12.633 1.00 61.24 C ATOM 174 CD2 TYR A 12 -5.243 5.973 -14.067 1.00 11.24 C ATOM 175 CE1 TYR A 12 -5.044 7.979 -12.178 1.00 40.54 C ATOM 176 CE2 TYR A 12 -6.374 6.619 -13.615 1.00 33.43 C ATOM 177 CZ TYR A 12 -6.267 7.619 -12.670 1.00 60.03 C ATOM 178 OH TYR A 12 -7.398 8.269 -12.230 1.00 73.24 O ATOM 0 H TYR A 12 -4.179 3.614 -13.775 1.00 55.34 H new ATOM 0 HA TYR A 12 -1.423 3.881 -13.730 1.00 53.21 H new ATOM 0 HB2 TYR A 12 -1.889 6.314 -14.118 1.00 74.53 H new ATOM 0 HB3 TYR A 12 -2.881 5.276 -15.123 1.00 74.53 H new ATOM 0 HD1 TYR A 12 -2.947 7.638 -12.245 1.00 61.24 H new ATOM 0 HD2 TYR A 12 -5.338 5.188 -14.803 1.00 11.24 H new ATOM 0 HE1 TYR A 12 -4.967 8.760 -11.436 1.00 40.54 H new ATOM 0 HE2 TYR A 12 -7.344 6.342 -14.001 1.00 33.43 H new ATOM 0 HH TYR A 12 -8.185 7.895 -12.678 1.00 73.24 H new ATOM 188 N ALA A 13 -2.758 4.930 -10.914 1.00 51.41 N ATOM 189 CA ALA A 13 -2.507 5.402 -9.546 1.00 31.44 C ATOM 190 C ALA A 13 -1.731 4.357 -8.717 1.00 3.32 C ATOM 191 O ALA A 13 -0.853 4.708 -7.921 1.00 42.33 O ATOM 192 CB ALA A 13 -3.846 5.747 -8.888 1.00 71.43 C ATOM 0 H ALA A 13 -3.735 4.697 -11.090 1.00 51.41 H new ATOM 0 HA ALA A 13 -1.881 6.294 -9.587 1.00 31.44 H new ATOM 0 HB1 ALA A 13 -3.672 6.099 -7.871 1.00 71.43 H new ATOM 0 HB2 ALA A 13 -4.343 6.529 -9.462 1.00 71.43 H new ATOM 0 HB3 ALA A 13 -4.478 4.859 -8.861 1.00 71.43 H new ATOM 198 N SER A 14 -2.061 3.067 -8.934 1.00 24.02 N ATOM 199 CA SER A 14 -1.407 1.934 -8.248 1.00 12.10 C ATOM 200 C SER A 14 -0.035 1.606 -8.890 1.00 15.33 C ATOM 201 O SER A 14 0.851 1.037 -8.230 1.00 41.32 O ATOM 202 CB SER A 14 -2.346 0.700 -8.253 1.00 23.44 C ATOM 203 OG SER A 14 -2.685 0.292 -9.567 1.00 23.43 O ATOM 0 H SER A 14 -2.788 2.782 -9.590 1.00 24.02 H new ATOM 0 HA SER A 14 -1.216 2.216 -7.213 1.00 12.10 H new ATOM 0 HB2 SER A 14 -1.862 -0.125 -7.731 1.00 23.44 H new ATOM 0 HB3 SER A 14 -3.256 0.935 -7.701 1.00 23.44 H new ATOM 0 HG SER A 14 -2.384 0.970 -10.208 1.00 23.43 H new ATOM 209 N LYS A 15 0.131 1.999 -10.173 1.00 50.05 N ATOM 210 CA LYS A 15 1.399 1.849 -10.918 1.00 3.12 C ATOM 211 C LYS A 15 2.429 2.864 -10.399 1.00 25.21 C ATOM 212 O LYS A 15 3.532 2.488 -10.005 1.00 14.34 O ATOM 213 CB LYS A 15 1.172 2.058 -12.444 1.00 43.12 C ATOM 214 CG LYS A 15 0.245 1.024 -13.123 1.00 4.15 C ATOM 215 CD LYS A 15 0.857 -0.387 -13.222 1.00 64.41 C ATOM 216 CE LYS A 15 -0.096 -1.399 -13.884 1.00 31.21 C ATOM 217 NZ LYS A 15 0.544 -2.731 -14.065 1.00 51.32 N ATOM 0 H LYS A 15 -0.613 2.430 -10.721 1.00 50.05 H new ATOM 0 HA LYS A 15 1.775 0.838 -10.762 1.00 3.12 H new ATOM 0 HB2 LYS A 15 0.754 3.053 -12.599 1.00 43.12 H new ATOM 0 HB3 LYS A 15 2.140 2.037 -12.945 1.00 43.12 H new ATOM 0 HG2 LYS A 15 -0.690 0.966 -12.566 1.00 4.15 H new ATOM 0 HG3 LYS A 15 -0.002 1.374 -14.125 1.00 4.15 H new ATOM 0 HD2 LYS A 15 1.784 -0.338 -13.794 1.00 64.41 H new ATOM 0 HD3 LYS A 15 1.117 -0.738 -12.223 1.00 64.41 H new ATOM 0 HE2 LYS A 15 -0.992 -1.507 -13.272 1.00 31.21 H new ATOM 0 HE3 LYS A 15 -0.416 -1.016 -14.853 1.00 31.21 H new ATOM 0 HZ1 LYS A 15 -0.124 -3.478 -13.785 1.00 51.32 H new ATOM 0 HZ2 LYS A 15 0.806 -2.857 -15.063 1.00 51.32 H new ATOM 0 HZ3 LYS A 15 1.397 -2.790 -13.473 1.00 51.32 H new ATOM 231 N GLN A 16 2.027 4.153 -10.388 1.00 42.52 N ATOM 232 CA GLN A 16 2.864 5.275 -9.900 1.00 73.22 C ATOM 233 C GLN A 16 3.179 5.132 -8.394 1.00 42.45 C ATOM 234 O GLN A 16 4.172 5.684 -7.900 1.00 24.34 O ATOM 235 CB GLN A 16 2.161 6.632 -10.182 1.00 25.51 C ATOM 236 CG GLN A 16 1.946 6.953 -11.679 1.00 72.31 C ATOM 237 CD GLN A 16 3.243 7.165 -12.466 1.00 31.41 C ATOM 238 OE1 GLN A 16 3.762 8.283 -12.550 1.00 13.12 O ATOM 239 NE2 GLN A 16 3.764 6.107 -13.064 1.00 41.20 N ATOM 0 H GLN A 16 1.108 4.448 -10.719 1.00 42.52 H new ATOM 0 HA GLN A 16 3.810 5.247 -10.440 1.00 73.22 H new ATOM 0 HB2 GLN A 16 1.193 6.634 -9.682 1.00 25.51 H new ATOM 0 HB3 GLN A 16 2.752 7.431 -9.735 1.00 25.51 H new ATOM 0 HG2 GLN A 16 1.385 6.139 -12.137 1.00 72.31 H new ATOM 0 HG3 GLN A 16 1.332 7.850 -11.763 1.00 72.31 H new ATOM 0 HE21 GLN A 16 3.312 5.197 -12.976 1.00 41.20 H new ATOM 0 HE22 GLN A 16 4.618 6.201 -13.614 1.00 41.20 H new ATOM 248 N ALA A 17 2.322 4.377 -7.683 1.00 40.51 N ATOM 249 CA ALA A 17 2.513 4.073 -6.262 1.00 0.00 C ATOM 250 C ALA A 17 3.692 3.107 -6.050 1.00 15.25 C ATOM 251 O ALA A 17 4.609 3.401 -5.284 1.00 51.52 O ATOM 252 CB ALA A 17 1.221 3.512 -5.658 1.00 45.55 C ATOM 0 H ALA A 17 1.479 3.963 -8.082 1.00 40.51 H new ATOM 0 HA ALA A 17 2.758 5.001 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.379 3.291 -4.602 1.00 45.55 H new ATOM 0 HB2 ALA A 17 0.423 4.247 -5.760 1.00 45.55 H new ATOM 0 HB3 ALA A 17 0.941 2.598 -6.182 1.00 45.55 H new ATOM 258 N THR A 18 3.668 1.960 -6.749 1.00 22.41 N ATOM 259 CA THR A 18 4.748 0.945 -6.675 1.00 43.22 C ATOM 260 C THR A 18 6.045 1.451 -7.347 1.00 64.02 C ATOM 261 O THR A 18 7.147 0.969 -7.051 1.00 34.13 O ATOM 262 CB THR A 18 4.288 -0.382 -7.338 1.00 45.04 C ATOM 263 OG1 THR A 18 3.834 -0.110 -8.670 1.00 64.34 O ATOM 264 CG2 THR A 18 3.163 -1.055 -6.540 1.00 43.10 C ATOM 0 H THR A 18 2.907 1.705 -7.379 1.00 22.41 H new ATOM 0 HA THR A 18 4.962 0.764 -5.622 1.00 43.22 H new ATOM 0 HB THR A 18 5.137 -1.065 -7.358 1.00 45.04 H new ATOM 0 HG1 THR A 18 3.976 0.837 -8.877 1.00 64.34 H new ATOM 0 HG21 THR A 18 2.869 -1.980 -7.036 1.00 43.10 H new ATOM 0 HG22 THR A 18 3.515 -1.279 -5.533 1.00 43.10 H new ATOM 0 HG23 THR A 18 2.305 -0.385 -6.484 1.00 43.10 H new ATOM 272 N ASP A 19 5.867 2.434 -8.248 1.00 2.14 N ATOM 273 CA ASP A 19 6.960 3.181 -8.894 1.00 5.23 C ATOM 274 C ASP A 19 7.706 4.010 -7.843 1.00 35.20 C ATOM 275 O ASP A 19 8.929 4.130 -7.885 1.00 11.24 O ATOM 276 CB ASP A 19 6.364 4.099 -9.994 1.00 12.15 C ATOM 277 CG ASP A 19 7.394 4.970 -10.724 1.00 63.04 C ATOM 278 OD1 ASP A 19 8.095 4.451 -11.619 1.00 63.31 O ATOM 279 OD2 ASP A 19 7.499 6.183 -10.425 1.00 11.10 O ATOM 0 H ASP A 19 4.942 2.737 -8.553 1.00 2.14 H new ATOM 0 HA ASP A 19 7.667 2.490 -9.353 1.00 5.23 H new ATOM 0 HB2 ASP A 19 5.848 3.479 -10.726 1.00 12.15 H new ATOM 0 HB3 ASP A 19 5.614 4.748 -9.541 1.00 12.15 H new ATOM 284 N MET A 20 6.930 4.570 -6.895 1.00 1.44 N ATOM 285 CA MET A 20 7.467 5.330 -5.757 1.00 54.30 C ATOM 286 C MET A 20 8.178 4.379 -4.771 1.00 35.22 C ATOM 287 O MET A 20 9.250 4.696 -4.269 1.00 2.22 O ATOM 288 CB MET A 20 6.315 6.067 -5.012 1.00 10.44 C ATOM 289 CG MET A 20 6.763 7.256 -4.144 1.00 63.24 C ATOM 290 SD MET A 20 7.135 8.718 -5.136 1.00 64.44 S ATOM 291 CE MET A 20 5.565 8.952 -5.980 1.00 12.42 C ATOM 0 H MET A 20 5.912 4.506 -6.900 1.00 1.44 H new ATOM 0 HA MET A 20 8.181 6.061 -6.137 1.00 54.30 H new ATOM 0 HB2 MET A 20 5.595 6.424 -5.749 1.00 10.44 H new ATOM 0 HB3 MET A 20 5.794 5.349 -4.379 1.00 10.44 H new ATOM 0 HG2 MET A 20 5.979 7.496 -3.426 1.00 63.24 H new ATOM 0 HG3 MET A 20 7.646 6.973 -3.570 1.00 63.24 H new ATOM 0 HE1 MET A 20 5.701 8.800 -7.051 1.00 12.42 H new ATOM 0 HE2 MET A 20 4.838 8.234 -5.601 1.00 12.42 H new ATOM 0 HE3 MET A 20 5.203 9.964 -5.800 1.00 12.42 H new ATOM 301 N GLY A 21 7.565 3.195 -4.540 1.00 13.23 N ATOM 302 CA GLY A 21 8.078 2.191 -3.586 1.00 40.44 C ATOM 303 C GLY A 21 6.996 1.658 -2.639 1.00 35.52 C ATOM 304 O GLY A 21 7.310 1.162 -1.551 1.00 21.13 O ATOM 0 H GLY A 21 6.704 2.912 -5.009 1.00 13.23 H new ATOM 0 HA2 GLY A 21 8.510 1.358 -4.141 1.00 40.44 H new ATOM 0 HA3 GLY A 21 8.882 2.634 -2.998 1.00 40.44 H new ATOM 308 N ALA A 22 5.719 1.773 -3.051 1.00 31.50 N ATOM 309 CA ALA A 22 4.567 1.251 -2.281 1.00 52.13 C ATOM 310 C ALA A 22 4.372 -0.258 -2.531 1.00 74.45 C ATOM 311 O ALA A 22 4.753 -0.776 -3.587 1.00 62.14 O ATOM 312 CB ALA A 22 3.294 2.031 -2.636 1.00 63.23 C ATOM 0 H ALA A 22 5.454 2.229 -3.924 1.00 31.50 H new ATOM 0 HA ALA A 22 4.774 1.388 -1.220 1.00 52.13 H new ATOM 0 HB1 ALA A 22 2.454 1.637 -2.063 1.00 63.23 H new ATOM 0 HB2 ALA A 22 3.434 3.085 -2.396 1.00 63.23 H new ATOM 0 HB3 ALA A 22 3.088 1.925 -3.701 1.00 63.23 H new ATOM 318 N ILE A 23 3.768 -0.953 -1.549 1.00 53.03 N ATOM 319 CA ILE A 23 3.572 -2.422 -1.584 1.00 13.53 C ATOM 320 C ILE A 23 2.075 -2.776 -1.529 1.00 63.10 C ATOM 321 O ILE A 23 1.253 -1.968 -1.090 1.00 63.41 O ATOM 322 CB ILE A 23 4.312 -3.119 -0.372 1.00 55.22 C ATOM 323 CG1 ILE A 23 3.716 -2.626 0.994 1.00 14.54 C ATOM 324 CG2 ILE A 23 5.847 -2.875 -0.435 1.00 74.55 C ATOM 325 CD1 ILE A 23 4.344 -3.232 2.238 1.00 51.12 C ATOM 0 H ILE A 23 3.400 -0.514 -0.705 1.00 53.03 H new ATOM 0 HA ILE A 23 3.995 -2.785 -2.521 1.00 13.53 H new ATOM 0 HB ILE A 23 4.148 -4.194 -0.447 1.00 55.22 H new ATOM 0 HG12 ILE A 23 3.821 -1.542 1.046 1.00 14.54 H new ATOM 0 HG13 ILE A 23 2.648 -2.844 1.004 1.00 14.54 H new ATOM 0 HG21 ILE A 23 6.328 -3.366 0.411 1.00 74.55 H new ATOM 0 HG22 ILE A 23 6.242 -3.283 -1.365 1.00 74.55 H new ATOM 0 HG23 ILE A 23 6.047 -1.804 -0.395 1.00 74.55 H new ATOM 0 HD11 ILE A 23 3.860 -2.824 3.125 1.00 51.12 H new ATOM 0 HD12 ILE A 23 4.216 -4.314 2.220 1.00 51.12 H new ATOM 0 HD13 ILE A 23 5.407 -2.993 2.262 1.00 51.12 H new ATOM 337 N TYR A 24 1.736 -3.993 -1.976 1.00 43.43 N ATOM 338 CA TYR A 24 0.400 -4.577 -1.787 1.00 72.25 C ATOM 339 C TYR A 24 0.496 -5.653 -0.704 1.00 13.10 C ATOM 340 O TYR A 24 1.315 -6.576 -0.824 1.00 42.02 O ATOM 341 CB TYR A 24 -0.134 -5.226 -3.089 1.00 25.41 C ATOM 342 CG TYR A 24 -0.195 -4.300 -4.307 1.00 20.30 C ATOM 343 CD1 TYR A 24 -1.250 -3.402 -4.478 1.00 10.15 C ATOM 344 CD2 TYR A 24 0.783 -4.353 -5.304 1.00 40.14 C ATOM 345 CE1 TYR A 24 -1.319 -2.591 -5.598 1.00 61.34 C ATOM 346 CE2 TYR A 24 0.718 -3.546 -6.414 1.00 10.20 C ATOM 347 CZ TYR A 24 -0.331 -2.668 -6.561 1.00 72.53 C ATOM 348 OH TYR A 24 -0.389 -1.868 -7.675 1.00 70.10 O ATOM 0 H TYR A 24 2.381 -4.602 -2.480 1.00 43.43 H new ATOM 0 HA TYR A 24 -0.288 -3.781 -1.501 1.00 72.25 H new ATOM 0 HB2 TYR A 24 0.497 -6.080 -3.334 1.00 25.41 H new ATOM 0 HB3 TYR A 24 -1.135 -5.613 -2.898 1.00 25.41 H new ATOM 0 HD1 TYR A 24 -2.023 -3.339 -3.726 1.00 10.15 H new ATOM 0 HD2 TYR A 24 1.607 -5.043 -5.200 1.00 40.14 H new ATOM 0 HE1 TYR A 24 -2.141 -1.901 -5.718 1.00 61.34 H new ATOM 0 HE2 TYR A 24 1.488 -3.601 -7.169 1.00 10.20 H new ATOM 0 HH TYR A 24 0.087 -1.029 -7.501 1.00 70.10 H new ATOM 358 N VAL A 25 -0.322 -5.531 0.345 1.00 13.40 N ATOM 359 CA VAL A 25 -0.441 -6.550 1.408 1.00 31.35 C ATOM 360 C VAL A 25 -1.846 -7.175 1.378 1.00 2.30 C ATOM 361 O VAL A 25 -2.708 -6.707 0.640 1.00 23.21 O ATOM 362 CB VAL A 25 -0.130 -5.945 2.836 1.00 11.55 C ATOM 363 CG1 VAL A 25 1.302 -5.358 2.898 1.00 21.13 C ATOM 364 CG2 VAL A 25 -1.185 -4.901 3.273 1.00 44.33 C ATOM 0 H VAL A 25 -0.926 -4.721 0.487 1.00 13.40 H new ATOM 0 HA VAL A 25 0.300 -7.326 1.217 1.00 31.35 H new ATOM 0 HB VAL A 25 -0.187 -6.768 3.548 1.00 11.55 H new ATOM 0 HG11 VAL A 25 1.485 -4.950 3.892 1.00 21.13 H new ATOM 0 HG12 VAL A 25 2.027 -6.145 2.689 1.00 21.13 H new ATOM 0 HG13 VAL A 25 1.403 -4.566 2.156 1.00 21.13 H new ATOM 0 HG21 VAL A 25 -0.928 -4.515 4.259 1.00 44.33 H new ATOM 0 HG22 VAL A 25 -1.204 -4.081 2.556 1.00 44.33 H new ATOM 0 HG23 VAL A 25 -2.168 -5.371 3.312 1.00 44.33 H new ATOM 374 N ASN A 26 -2.060 -8.249 2.150 1.00 61.30 N ATOM 375 CA ASN A 26 -3.406 -8.843 2.339 1.00 11.43 C ATOM 376 C ASN A 26 -4.073 -8.234 3.593 1.00 13.21 C ATOM 377 O ASN A 26 -3.523 -7.300 4.208 1.00 65.55 O ATOM 378 CB ASN A 26 -3.326 -10.397 2.435 1.00 30.42 C ATOM 379 CG ASN A 26 -2.501 -10.927 3.613 1.00 21.44 C ATOM 380 OD1 ASN A 26 -1.545 -10.308 4.066 1.00 73.44 O ATOM 381 ND2 ASN A 26 -2.875 -12.083 4.130 1.00 72.50 N ATOM 0 H ASN A 26 -1.320 -8.732 2.659 1.00 61.30 H new ATOM 0 HA ASN A 26 -4.020 -8.607 1.470 1.00 11.43 H new ATOM 0 HB2 ASN A 26 -4.338 -10.795 2.510 1.00 30.42 H new ATOM 0 HB3 ASN A 26 -2.900 -10.783 1.509 1.00 30.42 H new ATOM 0 HD21 ASN A 26 -2.365 -12.477 4.921 1.00 72.50 H new ATOM 0 HD22 ASN A 26 -3.673 -12.582 3.738 1.00 72.50 H new ATOM 388 N SER A 27 -5.254 -8.768 3.968 1.00 14.44 N ATOM 389 CA SER A 27 -6.026 -8.286 5.133 1.00 32.02 C ATOM 390 C SER A 27 -5.343 -8.688 6.459 1.00 1.01 C ATOM 391 O SER A 27 -5.698 -8.165 7.521 1.00 42.42 O ATOM 392 CB SER A 27 -7.487 -8.802 5.083 1.00 40.14 C ATOM 393 OG SER A 27 -8.286 -8.222 6.107 1.00 63.35 O ATOM 0 H SER A 27 -5.698 -9.542 3.474 1.00 14.44 H new ATOM 0 HA SER A 27 -6.052 -7.197 5.088 1.00 32.02 H new ATOM 0 HB2 SER A 27 -7.921 -8.573 4.110 1.00 40.14 H new ATOM 0 HB3 SER A 27 -7.493 -9.887 5.187 1.00 40.14 H new ATOM 0 HG SER A 27 -7.731 -8.048 6.896 1.00 63.35 H new ATOM 399 N LYS A 28 -4.380 -9.632 6.401 1.00 33.30 N ATOM 400 CA LYS A 28 -3.486 -9.896 7.538 1.00 62.43 C ATOM 401 C LYS A 28 -2.450 -8.775 7.618 1.00 42.42 C ATOM 402 O LYS A 28 -2.409 -8.042 8.598 1.00 72.33 O ATOM 403 CB LYS A 28 -2.777 -11.264 7.421 1.00 52.12 C ATOM 404 CG LYS A 28 -3.723 -12.476 7.340 1.00 75.33 C ATOM 405 CD LYS A 28 -4.614 -12.643 8.588 1.00 51.44 C ATOM 406 CE LYS A 28 -5.480 -13.910 8.520 1.00 15.11 C ATOM 407 NZ LYS A 28 -6.315 -14.064 9.736 1.00 42.00 N ATOM 0 H LYS A 28 -4.206 -10.217 5.584 1.00 33.30 H new ATOM 0 HA LYS A 28 -4.088 -9.928 8.446 1.00 62.43 H new ATOM 0 HB2 LYS A 28 -2.144 -11.255 6.534 1.00 52.12 H new ATOM 0 HB3 LYS A 28 -2.119 -11.391 8.281 1.00 52.12 H new ATOM 0 HG2 LYS A 28 -4.358 -12.373 6.460 1.00 75.33 H new ATOM 0 HG3 LYS A 28 -3.131 -13.381 7.202 1.00 75.33 H new ATOM 0 HD2 LYS A 28 -3.986 -12.682 9.478 1.00 51.44 H new ATOM 0 HD3 LYS A 28 -5.258 -11.770 8.691 1.00 51.44 H new ATOM 0 HE2 LYS A 28 -6.122 -13.866 7.640 1.00 15.11 H new ATOM 0 HE3 LYS A 28 -4.839 -14.784 8.404 1.00 15.11 H new ATOM 0 HZ1 LYS A 28 -6.887 -14.929 9.657 1.00 42.00 H new ATOM 0 HZ2 LYS A 28 -5.701 -14.130 10.573 1.00 42.00 H new ATOM 0 HZ3 LYS A 28 -6.944 -13.241 9.832 1.00 42.00 H new ATOM 421 N GLY A 29 -1.643 -8.624 6.554 1.00 51.41 N ATOM 422 CA GLY A 29 -0.607 -7.588 6.503 1.00 61.00 C ATOM 423 C GLY A 29 0.664 -8.025 5.787 1.00 24.34 C ATOM 424 O GLY A 29 1.577 -7.220 5.640 1.00 61.32 O ATOM 0 H GLY A 29 -1.691 -9.208 5.719 1.00 51.41 H new ATOM 0 HA2 GLY A 29 -1.011 -6.708 6.002 1.00 61.00 H new ATOM 0 HA3 GLY A 29 -0.355 -7.289 7.520 1.00 61.00 H new ATOM 428 N ASP A 30 0.724 -9.294 5.341 1.00 71.12 N ATOM 429 CA ASP A 30 1.875 -9.836 4.582 1.00 2.21 C ATOM 430 C ASP A 30 1.814 -9.373 3.120 1.00 25.44 C ATOM 431 O ASP A 30 0.729 -9.333 2.528 1.00 12.50 O ATOM 432 CB ASP A 30 1.892 -11.386 4.638 1.00 2.54 C ATOM 433 CG ASP A 30 3.107 -12.002 3.910 1.00 52.30 C ATOM 434 OD1 ASP A 30 4.260 -11.722 4.318 1.00 74.42 O ATOM 435 OD2 ASP A 30 2.915 -12.750 2.923 1.00 5.44 O ATOM 0 H ASP A 30 -0.021 -9.974 5.495 1.00 71.12 H new ATOM 0 HA ASP A 30 2.789 -9.460 5.041 1.00 2.21 H new ATOM 0 HB2 ASP A 30 1.899 -11.707 5.680 1.00 2.54 H new ATOM 0 HB3 ASP A 30 0.975 -11.770 4.192 1.00 2.54 H new ATOM 440 N ARG A 31 2.985 -9.050 2.545 1.00 2.24 N ATOM 441 CA ARG A 31 3.080 -8.511 1.178 1.00 42.12 C ATOM 442 C ARG A 31 2.774 -9.616 0.133 1.00 24.42 C ATOM 443 O ARG A 31 3.525 -10.590 -0.014 1.00 43.02 O ATOM 444 CB ARG A 31 4.452 -7.773 0.935 1.00 32.35 C ATOM 445 CG ARG A 31 5.743 -8.624 0.717 1.00 42.22 C ATOM 446 CD ARG A 31 6.040 -9.669 1.815 1.00 55.24 C ATOM 447 NE ARG A 31 6.082 -9.115 3.185 1.00 5.02 N ATOM 448 CZ ARG A 31 6.896 -9.547 4.167 1.00 22.03 C ATOM 449 NH1 ARG A 31 7.762 -10.533 3.960 1.00 44.12 N ATOM 450 NH2 ARG A 31 6.774 -9.049 5.384 1.00 71.14 N ATOM 0 H ARG A 31 3.886 -9.154 3.011 1.00 2.24 H new ATOM 0 HA ARG A 31 2.316 -7.744 1.052 1.00 42.12 H new ATOM 0 HB2 ARG A 31 4.330 -7.131 0.062 1.00 32.35 H new ATOM 0 HB3 ARG A 31 4.629 -7.119 1.789 1.00 32.35 H new ATOM 0 HG2 ARG A 31 5.660 -9.140 -0.239 1.00 42.22 H new ATOM 0 HG3 ARG A 31 6.595 -7.948 0.642 1.00 42.22 H new ATOM 0 HD2 ARG A 31 5.279 -10.449 1.774 1.00 55.24 H new ATOM 0 HD3 ARG A 31 6.996 -10.145 1.598 1.00 55.24 H new ATOM 0 HE ARG A 31 5.446 -8.348 3.403 1.00 5.02 H new ATOM 0 HH11 ARG A 31 7.819 -10.978 3.044 1.00 44.12 H new ATOM 0 HH12 ARG A 31 8.370 -10.845 4.717 1.00 44.12 H new ATOM 0 HH21 ARG A 31 6.066 -8.341 5.577 1.00 71.14 H new ATOM 0 HH22 ARG A 31 7.388 -9.373 6.131 1.00 71.14 H new ATOM 464 N ILE A 32 1.614 -9.474 -0.543 1.00 61.01 N ATOM 465 CA ILE A 32 1.138 -10.432 -1.558 1.00 54.21 C ATOM 466 C ILE A 32 1.922 -10.280 -2.875 1.00 41.25 C ATOM 467 O ILE A 32 2.205 -11.268 -3.562 1.00 22.22 O ATOM 468 CB ILE A 32 -0.409 -10.280 -1.828 1.00 54.21 C ATOM 469 CG1 ILE A 32 -0.771 -8.869 -2.397 1.00 23.44 C ATOM 470 CG2 ILE A 32 -1.207 -10.571 -0.543 1.00 31.11 C ATOM 471 CD1 ILE A 32 -2.194 -8.733 -2.901 1.00 0.24 C ATOM 0 H ILE A 32 0.980 -8.688 -0.398 1.00 61.01 H new ATOM 0 HA ILE A 32 1.314 -11.431 -1.158 1.00 54.21 H new ATOM 0 HB ILE A 32 -0.683 -11.011 -2.588 1.00 54.21 H new ATOM 0 HG12 ILE A 32 -0.604 -8.125 -1.618 1.00 23.44 H new ATOM 0 HG13 ILE A 32 -0.087 -8.636 -3.213 1.00 23.44 H new ATOM 0 HG21 ILE A 32 -2.273 -10.462 -0.744 1.00 31.11 H new ATOM 0 HG22 ILE A 32 -1.002 -11.589 -0.210 1.00 31.11 H new ATOM 0 HG23 ILE A 32 -0.911 -9.868 0.236 1.00 31.11 H new ATOM 0 HD11 ILE A 32 -2.352 -7.722 -3.276 1.00 0.24 H new ATOM 0 HD12 ILE A 32 -2.365 -9.449 -3.705 1.00 0.24 H new ATOM 0 HD13 ILE A 32 -2.889 -8.930 -2.085 1.00 0.24 H new ATOM 483 N VAL A 33 2.261 -9.030 -3.203 1.00 72.03 N ATOM 484 CA VAL A 33 3.086 -8.680 -4.358 1.00 65.31 C ATOM 485 C VAL A 33 3.631 -7.260 -4.145 1.00 21.34 C ATOM 486 O VAL A 33 2.916 -6.369 -3.668 1.00 50.41 O ATOM 487 CB VAL A 33 2.320 -8.829 -5.736 1.00 62.54 C ATOM 488 CG1 VAL A 33 1.111 -7.877 -5.854 1.00 43.31 C ATOM 489 CG2 VAL A 33 3.290 -8.692 -6.939 1.00 43.10 C ATOM 0 H VAL A 33 1.963 -8.219 -2.661 1.00 72.03 H new ATOM 0 HA VAL A 33 3.914 -9.386 -4.428 1.00 65.31 H new ATOM 0 HB VAL A 33 1.909 -9.838 -5.759 1.00 62.54 H new ATOM 0 HG11 VAL A 33 0.625 -8.024 -6.819 1.00 43.31 H new ATOM 0 HG12 VAL A 33 0.401 -8.089 -5.054 1.00 43.31 H new ATOM 0 HG13 VAL A 33 1.451 -6.845 -5.773 1.00 43.31 H new ATOM 0 HG21 VAL A 33 2.733 -8.799 -7.870 1.00 43.10 H new ATOM 0 HG22 VAL A 33 3.767 -7.712 -6.912 1.00 43.10 H new ATOM 0 HG23 VAL A 33 4.053 -9.468 -6.881 1.00 43.10 H new ATOM 499 N ASN A 34 4.915 -7.081 -4.454 1.00 24.41 N ATOM 500 CA ASN A 34 5.649 -5.829 -4.202 1.00 54.51 C ATOM 501 C ASN A 34 5.418 -4.812 -5.321 1.00 2.34 C ATOM 502 O ASN A 34 5.398 -3.600 -5.085 1.00 43.24 O ATOM 503 CB ASN A 34 7.166 -6.129 -4.079 1.00 61.24 C ATOM 504 CG ASN A 34 7.809 -6.732 -5.341 1.00 55.34 C ATOM 505 OD1 ASN A 34 7.173 -7.461 -6.109 1.00 44.22 O ATOM 506 ND2 ASN A 34 9.081 -6.454 -5.551 1.00 31.31 N ATOM 0 H ASN A 34 5.486 -7.805 -4.891 1.00 24.41 H new ATOM 0 HA ASN A 34 5.277 -5.401 -3.271 1.00 54.51 H new ATOM 0 HB2 ASN A 34 7.686 -5.204 -3.830 1.00 61.24 H new ATOM 0 HB3 ASN A 34 7.320 -6.815 -3.246 1.00 61.24 H new ATOM 0 HD21 ASN A 34 9.561 -6.844 -6.362 1.00 31.31 H new ATOM 0 HD22 ASN A 34 9.585 -5.849 -4.902 1.00 31.31 H new ATOM 513 N GLU A 35 5.264 -5.329 -6.541 1.00 61.41 N ATOM 514 CA GLU A 35 5.258 -4.533 -7.772 1.00 50.00 C ATOM 515 C GLU A 35 3.970 -4.787 -8.557 1.00 13.12 C ATOM 516 O GLU A 35 3.434 -5.899 -8.554 1.00 31.42 O ATOM 517 CB GLU A 35 6.518 -4.892 -8.621 1.00 24.05 C ATOM 518 CG GLU A 35 6.685 -4.106 -9.944 1.00 15.14 C ATOM 519 CD GLU A 35 6.618 -2.576 -9.769 1.00 62.04 C ATOM 520 OE1 GLU A 35 7.559 -1.988 -9.184 1.00 40.50 O ATOM 521 OE2 GLU A 35 5.623 -1.958 -10.218 1.00 60.21 O ATOM 0 H GLU A 35 5.138 -6.328 -6.705 1.00 61.41 H new ATOM 0 HA GLU A 35 5.293 -3.472 -7.526 1.00 50.00 H new ATOM 0 HB2 GLU A 35 7.404 -4.728 -8.008 1.00 24.05 H new ATOM 0 HB3 GLU A 35 6.484 -5.956 -8.854 1.00 24.05 H new ATOM 0 HG2 GLU A 35 7.642 -4.370 -10.394 1.00 15.14 H new ATOM 0 HG3 GLU A 35 5.908 -4.417 -10.642 1.00 15.14 H new ATOM 528 N SER A 36 3.481 -3.737 -9.220 1.00 35.24 N ATOM 529 CA SER A 36 2.337 -3.811 -10.133 1.00 52.54 C ATOM 530 C SER A 36 2.821 -4.259 -11.535 1.00 51.21 C ATOM 531 O SER A 36 2.723 -3.516 -12.519 1.00 72.04 O ATOM 532 CB SER A 36 1.631 -2.435 -10.175 1.00 21.33 C ATOM 533 OG SER A 36 2.516 -1.412 -10.605 1.00 13.11 O ATOM 0 H SER A 36 3.873 -2.799 -9.137 1.00 35.24 H new ATOM 0 HA SER A 36 1.615 -4.549 -9.783 1.00 52.54 H new ATOM 0 HB2 SER A 36 0.775 -2.484 -10.848 1.00 21.33 H new ATOM 0 HB3 SER A 36 1.245 -2.192 -9.185 1.00 21.33 H new ATOM 0 HG SER A 36 2.734 -0.828 -9.848 1.00 13.11 H new ATOM 539 N ASN A 37 3.379 -5.485 -11.586 1.00 42.42 N ATOM 540 CA ASN A 37 3.885 -6.109 -12.832 1.00 72.41 C ATOM 541 C ASN A 37 2.736 -6.276 -13.828 1.00 31.04 C ATOM 542 O ASN A 37 2.762 -5.748 -14.943 1.00 45.20 O ATOM 543 CB ASN A 37 4.510 -7.507 -12.538 1.00 71.14 C ATOM 544 CG ASN A 37 5.595 -7.472 -11.465 1.00 64.12 C ATOM 545 OD1 ASN A 37 5.319 -7.663 -10.278 1.00 21.32 O ATOM 546 ND2 ASN A 37 6.832 -7.213 -11.865 1.00 45.13 N ATOM 0 H ASN A 37 3.493 -6.075 -10.762 1.00 42.42 H new ATOM 0 HA ASN A 37 4.653 -5.459 -13.252 1.00 72.41 H new ATOM 0 HB2 ASN A 37 3.721 -8.191 -12.224 1.00 71.14 H new ATOM 0 HB3 ASN A 37 4.933 -7.909 -13.459 1.00 71.14 H new ATOM 0 HD21 ASN A 37 7.589 -7.167 -11.183 1.00 45.13 H new ATOM 0 HD22 ASN A 37 7.026 -7.060 -12.855 1.00 45.13 H new ATOM 553 N VAL A 38 1.714 -6.996 -13.359 1.00 13.10 N ATOM 554 CA VAL A 38 0.505 -7.298 -14.120 1.00 32.34 C ATOM 555 C VAL A 38 -0.606 -7.719 -13.135 1.00 25.13 C ATOM 556 O VAL A 38 -0.316 -8.320 -12.085 1.00 32.42 O ATOM 557 CB VAL A 38 0.774 -8.409 -15.219 1.00 64.53 C ATOM 558 CG1 VAL A 38 1.386 -9.700 -14.616 1.00 12.12 C ATOM 559 CG2 VAL A 38 -0.498 -8.713 -16.054 1.00 45.42 C ATOM 0 H VAL A 38 1.706 -7.393 -12.419 1.00 13.10 H new ATOM 0 HA VAL A 38 0.183 -6.408 -14.661 1.00 32.34 H new ATOM 0 HB VAL A 38 1.519 -7.998 -15.900 1.00 64.53 H new ATOM 0 HG11 VAL A 38 1.551 -10.429 -15.409 1.00 12.12 H new ATOM 0 HG12 VAL A 38 2.336 -9.463 -14.137 1.00 12.12 H new ATOM 0 HG13 VAL A 38 0.701 -10.116 -13.877 1.00 12.12 H new ATOM 0 HG21 VAL A 38 -0.272 -9.479 -16.796 1.00 45.42 H new ATOM 0 HG22 VAL A 38 -1.290 -9.069 -15.395 1.00 45.42 H new ATOM 0 HG23 VAL A 38 -0.827 -7.805 -16.559 1.00 45.42 H new ATOM 569 N TYR A 39 -1.867 -7.387 -13.484 1.00 13.53 N ATOM 570 CA TYR A 39 -3.065 -7.659 -12.656 1.00 54.33 C ATOM 571 C TYR A 39 -3.251 -9.167 -12.394 1.00 51.22 C ATOM 572 O TYR A 39 -3.891 -9.537 -11.420 1.00 74.01 O ATOM 573 CB TYR A 39 -4.341 -7.076 -13.339 1.00 3.23 C ATOM 574 CG TYR A 39 -4.684 -7.718 -14.707 1.00 72.42 C ATOM 575 CD1 TYR A 39 -3.961 -7.389 -15.863 1.00 44.32 C ATOM 576 CD2 TYR A 39 -5.707 -8.671 -14.844 1.00 11.22 C ATOM 577 CE1 TYR A 39 -4.244 -7.972 -17.081 1.00 22.54 C ATOM 578 CE2 TYR A 39 -5.983 -9.255 -16.069 1.00 4.14 C ATOM 579 CZ TYR A 39 -5.251 -8.901 -17.177 1.00 13.44 C ATOM 580 OH TYR A 39 -5.524 -9.482 -18.395 1.00 40.42 O ATOM 0 H TYR A 39 -2.086 -6.915 -14.361 1.00 13.53 H new ATOM 0 HA TYR A 39 -2.914 -7.169 -11.694 1.00 54.33 H new ATOM 0 HB2 TYR A 39 -5.190 -7.206 -12.667 1.00 3.23 H new ATOM 0 HB3 TYR A 39 -4.206 -6.003 -13.478 1.00 3.23 H new ATOM 0 HD1 TYR A 39 -3.164 -6.663 -15.798 1.00 44.32 H new ATOM 0 HD2 TYR A 39 -6.288 -8.953 -13.979 1.00 11.22 H new ATOM 0 HE1 TYR A 39 -3.675 -7.698 -17.957 1.00 22.54 H new ATOM 0 HE2 TYR A 39 -6.772 -9.987 -16.153 1.00 4.14 H new ATOM 0 HH TYR A 39 -6.263 -10.118 -18.296 1.00 40.42 H new ATOM 590 N THR A 40 -2.691 -10.024 -13.276 1.00 41.40 N ATOM 591 CA THR A 40 -2.805 -11.485 -13.145 1.00 21.55 C ATOM 592 C THR A 40 -2.003 -11.983 -11.921 1.00 22.41 C ATOM 593 O THR A 40 -2.558 -12.660 -11.059 1.00 53.04 O ATOM 594 CB THR A 40 -2.324 -12.209 -14.444 1.00 44.22 C ATOM 595 OG1 THR A 40 -0.962 -11.857 -14.713 1.00 23.14 O ATOM 596 CG2 THR A 40 -3.193 -11.839 -15.664 1.00 14.42 C ATOM 0 H THR A 40 -2.154 -9.722 -14.089 1.00 41.40 H new ATOM 0 HA THR A 40 -3.857 -11.727 -12.996 1.00 21.55 H new ATOM 0 HB THR A 40 -2.414 -13.282 -14.277 1.00 44.22 H new ATOM 0 HG1 THR A 40 -0.661 -12.313 -15.527 1.00 23.14 H new ATOM 0 HG21 THR A 40 -2.825 -12.364 -16.546 1.00 14.42 H new ATOM 0 HG22 THR A 40 -4.227 -12.128 -15.475 1.00 14.42 H new ATOM 0 HG23 THR A 40 -3.142 -10.764 -15.834 1.00 14.42 H new ATOM 604 N THR A 41 -0.709 -11.598 -11.844 1.00 12.52 N ATOM 605 CA THR A 41 0.183 -11.937 -10.707 1.00 73.44 C ATOM 606 C THR A 41 -0.386 -11.396 -9.378 1.00 75.44 C ATOM 607 O THR A 41 -0.391 -12.086 -8.353 1.00 32.21 O ATOM 608 CB THR A 41 1.615 -11.354 -10.949 1.00 30.23 C ATOM 609 OG1 THR A 41 2.079 -11.772 -12.242 1.00 4.40 O ATOM 610 CG2 THR A 41 2.633 -11.802 -9.880 1.00 45.41 C ATOM 0 H THR A 41 -0.252 -11.043 -12.568 1.00 12.52 H new ATOM 0 HA THR A 41 0.245 -13.023 -10.639 1.00 73.44 H new ATOM 0 HB THR A 41 1.538 -10.268 -10.889 1.00 30.23 H new ATOM 0 HG1 THR A 41 2.975 -11.409 -12.401 1.00 4.40 H new ATOM 0 HG21 THR A 41 3.608 -11.366 -10.101 1.00 45.41 H new ATOM 0 HG22 THR A 41 2.300 -11.467 -8.898 1.00 45.41 H new ATOM 0 HG23 THR A 41 2.712 -12.889 -9.886 1.00 45.41 H new ATOM 618 N PHE A 42 -0.895 -10.158 -9.458 1.00 65.44 N ATOM 619 CA PHE A 42 -1.537 -9.444 -8.345 1.00 11.24 C ATOM 620 C PHE A 42 -2.809 -10.177 -7.851 1.00 34.10 C ATOM 621 O PHE A 42 -3.020 -10.321 -6.644 1.00 70.22 O ATOM 622 CB PHE A 42 -1.868 -7.996 -8.817 1.00 72.33 C ATOM 623 CG PHE A 42 -2.778 -7.186 -7.891 1.00 75.24 C ATOM 624 CD1 PHE A 42 -2.352 -6.797 -6.622 1.00 22.31 C ATOM 625 CD2 PHE A 42 -4.062 -6.806 -8.300 1.00 3.45 C ATOM 626 CE1 PHE A 42 -3.174 -6.058 -5.797 1.00 4.14 C ATOM 627 CE2 PHE A 42 -4.881 -6.067 -7.470 1.00 43.01 C ATOM 628 CZ PHE A 42 -4.437 -5.694 -6.220 1.00 43.25 C ATOM 0 H PHE A 42 -0.871 -9.612 -10.319 1.00 65.44 H new ATOM 0 HA PHE A 42 -0.854 -9.410 -7.496 1.00 11.24 H new ATOM 0 HB2 PHE A 42 -0.932 -7.452 -8.942 1.00 72.33 H new ATOM 0 HB3 PHE A 42 -2.338 -8.053 -9.799 1.00 72.33 H new ATOM 0 HD1 PHE A 42 -1.367 -7.078 -6.281 1.00 22.31 H new ATOM 0 HD2 PHE A 42 -4.417 -7.095 -9.278 1.00 3.45 H new ATOM 0 HE1 PHE A 42 -2.829 -5.763 -4.817 1.00 4.14 H new ATOM 0 HE2 PHE A 42 -5.869 -5.781 -7.800 1.00 43.01 H new ATOM 0 HZ PHE A 42 -5.078 -5.116 -5.570 1.00 43.25 H new ATOM 638 N ARG A 43 -3.633 -10.660 -8.805 1.00 54.21 N ATOM 639 CA ARG A 43 -4.942 -11.278 -8.504 1.00 53.14 C ATOM 640 C ARG A 43 -4.746 -12.697 -7.940 1.00 11.31 C ATOM 641 O ARG A 43 -5.454 -13.094 -7.023 1.00 62.14 O ATOM 642 CB ARG A 43 -5.846 -11.292 -9.774 1.00 25.21 C ATOM 643 CG ARG A 43 -7.351 -11.551 -9.514 1.00 2.51 C ATOM 644 CD ARG A 43 -8.175 -11.541 -10.818 1.00 30.44 C ATOM 645 NE ARG A 43 -9.635 -11.594 -10.589 1.00 11.25 N ATOM 646 CZ ARG A 43 -10.487 -12.516 -11.072 1.00 72.14 C ATOM 647 NH1 ARG A 43 -10.060 -13.535 -11.815 1.00 5.55 N ATOM 648 NH2 ARG A 43 -11.790 -12.371 -10.858 1.00 32.53 N ATOM 0 H ARG A 43 -3.411 -10.633 -9.800 1.00 54.21 H new ATOM 0 HA ARG A 43 -5.446 -10.681 -7.744 1.00 53.14 H new ATOM 0 HB2 ARG A 43 -5.742 -10.334 -10.284 1.00 25.21 H new ATOM 0 HB3 ARG A 43 -5.475 -12.058 -10.455 1.00 25.21 H new ATOM 0 HG2 ARG A 43 -7.472 -12.513 -9.016 1.00 2.51 H new ATOM 0 HG3 ARG A 43 -7.737 -10.790 -8.836 1.00 2.51 H new ATOM 0 HD2 ARG A 43 -7.936 -10.641 -11.384 1.00 30.44 H new ATOM 0 HD3 ARG A 43 -7.880 -12.391 -11.433 1.00 30.44 H new ATOM 0 HE ARG A 43 -10.036 -10.858 -10.007 1.00 11.25 H new ATOM 0 HH11 ARG A 43 -9.067 -13.629 -12.029 1.00 5.55 H new ATOM 0 HH12 ARG A 43 -10.726 -14.222 -12.170 1.00 5.55 H new ATOM 0 HH21 ARG A 43 -12.134 -11.567 -10.333 1.00 32.53 H new ATOM 0 HH22 ARG A 43 -12.446 -13.063 -11.219 1.00 32.53 H new ATOM 662 N ASN A 44 -3.745 -13.440 -8.470 1.00 71.51 N ATOM 663 CA ASN A 44 -3.371 -14.773 -7.941 1.00 64.23 C ATOM 664 C ASN A 44 -2.740 -14.640 -6.545 1.00 3.51 C ATOM 665 O ASN A 44 -2.899 -15.525 -5.710 1.00 55.40 O ATOM 666 CB ASN A 44 -2.397 -15.546 -8.886 1.00 32.42 C ATOM 667 CG ASN A 44 -3.087 -16.109 -10.133 1.00 22.42 C ATOM 668 OD1 ASN A 44 -3.713 -17.166 -10.080 1.00 21.14 O ATOM 669 ND2 ASN A 44 -2.924 -15.461 -11.271 1.00 71.52 N ATOM 0 H ASN A 44 -3.182 -13.138 -9.265 1.00 71.51 H new ATOM 0 HA ASN A 44 -4.292 -15.352 -7.877 1.00 64.23 H new ATOM 0 HB2 ASN A 44 -1.593 -14.878 -9.194 1.00 32.42 H new ATOM 0 HB3 ASN A 44 -1.937 -16.364 -8.332 1.00 32.42 H new ATOM 0 HD21 ASN A 44 -3.322 -15.835 -12.133 1.00 71.52 H new ATOM 0 HD22 ASN A 44 -2.401 -14.586 -11.289 1.00 71.52 H new ATOM 676 N ALA A 45 -2.034 -13.522 -6.310 1.00 33.32 N ATOM 677 CA ALA A 45 -1.429 -13.202 -4.998 1.00 35.42 C ATOM 678 C ALA A 45 -2.518 -12.998 -3.919 1.00 14.13 C ATOM 679 O ALA A 45 -2.342 -13.382 -2.753 1.00 30.20 O ATOM 680 CB ALA A 45 -0.542 -11.958 -5.131 1.00 14.23 C ATOM 0 H ALA A 45 -1.864 -12.811 -7.022 1.00 33.32 H new ATOM 0 HA ALA A 45 -0.811 -14.042 -4.680 1.00 35.42 H new ATOM 0 HB1 ALA A 45 -0.097 -11.723 -4.164 1.00 14.23 H new ATOM 0 HB2 ALA A 45 0.248 -12.150 -5.857 1.00 14.23 H new ATOM 0 HB3 ALA A 45 -1.146 -11.115 -5.467 1.00 14.23 H new ATOM 686 N ILE A 46 -3.643 -12.394 -4.349 1.00 13.20 N ATOM 687 CA ILE A 46 -4.877 -12.268 -3.552 1.00 73.21 C ATOM 688 C ILE A 46 -5.496 -13.671 -3.304 1.00 71.55 C ATOM 689 O ILE A 46 -5.817 -14.032 -2.167 1.00 71.33 O ATOM 690 CB ILE A 46 -5.907 -11.329 -4.307 1.00 32.32 C ATOM 691 CG1 ILE A 46 -5.361 -9.869 -4.411 1.00 74.43 C ATOM 692 CG2 ILE A 46 -7.308 -11.345 -3.658 1.00 20.20 C ATOM 693 CD1 ILE A 46 -6.246 -8.919 -5.204 1.00 32.32 C ATOM 0 H ILE A 46 -3.720 -11.973 -5.275 1.00 13.20 H new ATOM 0 HA ILE A 46 -4.639 -11.822 -2.586 1.00 73.21 H new ATOM 0 HB ILE A 46 -6.019 -11.731 -5.314 1.00 32.32 H new ATOM 0 HG12 ILE A 46 -5.232 -9.470 -3.405 1.00 74.43 H new ATOM 0 HG13 ILE A 46 -4.374 -9.896 -4.872 1.00 74.43 H new ATOM 0 HG21 ILE A 46 -7.974 -10.685 -4.214 1.00 20.20 H new ATOM 0 HG22 ILE A 46 -7.705 -12.360 -3.675 1.00 20.20 H new ATOM 0 HG23 ILE A 46 -7.235 -11.001 -2.626 1.00 20.20 H new ATOM 0 HD11 ILE A 46 -5.790 -7.929 -5.225 1.00 32.32 H new ATOM 0 HD12 ILE A 46 -6.356 -9.289 -6.223 1.00 32.32 H new ATOM 0 HD13 ILE A 46 -7.227 -8.857 -4.733 1.00 32.32 H new ATOM 705 N LEU A 47 -5.596 -14.466 -4.393 1.00 73.24 N ATOM 706 CA LEU A 47 -6.256 -15.795 -4.390 1.00 51.11 C ATOM 707 C LEU A 47 -5.405 -16.887 -3.700 1.00 30.10 C ATOM 708 O LEU A 47 -5.925 -17.971 -3.391 1.00 21.42 O ATOM 709 CB LEU A 47 -6.599 -16.236 -5.844 1.00 50.01 C ATOM 710 CG LEU A 47 -7.617 -15.339 -6.624 1.00 33.22 C ATOM 711 CD1 LEU A 47 -7.837 -15.870 -8.061 1.00 74.03 C ATOM 712 CD2 LEU A 47 -8.952 -15.196 -5.852 1.00 21.14 C ATOM 0 H LEU A 47 -5.220 -14.204 -5.304 1.00 73.24 H new ATOM 0 HA LEU A 47 -7.173 -15.684 -3.811 1.00 51.11 H new ATOM 0 HB2 LEU A 47 -5.672 -16.276 -6.416 1.00 50.01 H new ATOM 0 HB3 LEU A 47 -6.996 -17.251 -5.808 1.00 50.01 H new ATOM 0 HG LEU A 47 -7.188 -14.340 -6.707 1.00 33.22 H new ATOM 0 HD11 LEU A 47 -8.549 -15.229 -8.581 1.00 74.03 H new ATOM 0 HD12 LEU A 47 -6.889 -15.870 -8.598 1.00 74.03 H new ATOM 0 HD13 LEU A 47 -8.229 -16.886 -8.017 1.00 74.03 H new ATOM 0 HD21 LEU A 47 -9.636 -14.567 -6.422 1.00 21.14 H new ATOM 0 HD22 LEU A 47 -9.397 -16.181 -5.710 1.00 21.14 H new ATOM 0 HD23 LEU A 47 -8.763 -14.740 -4.880 1.00 21.14 H new ATOM 724 N LYS A 48 -4.105 -16.603 -3.478 1.00 45.33 N ATOM 725 CA LYS A 48 -3.162 -17.561 -2.860 1.00 50.43 C ATOM 726 C LYS A 48 -3.541 -17.816 -1.391 1.00 32.10 C ATOM 727 O LYS A 48 -3.472 -18.949 -0.903 1.00 22.33 O ATOM 728 CB LYS A 48 -1.704 -17.011 -2.925 1.00 31.44 C ATOM 729 CG LYS A 48 -0.619 -18.007 -2.429 1.00 73.53 C ATOM 730 CD LYS A 48 0.757 -17.349 -2.167 1.00 41.52 C ATOM 731 CE LYS A 48 0.709 -16.293 -1.048 1.00 54.01 C ATOM 732 NZ LYS A 48 2.068 -15.901 -0.592 1.00 41.21 N ATOM 0 H LYS A 48 -3.680 -15.708 -3.720 1.00 45.33 H new ATOM 0 HA LYS A 48 -3.219 -18.497 -3.416 1.00 50.43 H new ATOM 0 HB2 LYS A 48 -1.480 -16.731 -3.954 1.00 31.44 H new ATOM 0 HB3 LYS A 48 -1.645 -16.101 -2.328 1.00 31.44 H new ATOM 0 HG2 LYS A 48 -0.966 -18.481 -1.511 1.00 73.53 H new ATOM 0 HG3 LYS A 48 -0.499 -18.798 -3.170 1.00 73.53 H new ATOM 0 HD2 LYS A 48 1.479 -18.121 -1.901 1.00 41.52 H new ATOM 0 HD3 LYS A 48 1.113 -16.883 -3.086 1.00 41.52 H new ATOM 0 HE2 LYS A 48 0.178 -15.411 -1.405 1.00 54.01 H new ATOM 0 HE3 LYS A 48 0.143 -16.686 -0.203 1.00 54.01 H new ATOM 0 HZ1 LYS A 48 1.989 -15.189 0.162 1.00 41.21 H new ATOM 0 HZ2 LYS A 48 2.566 -16.738 -0.227 1.00 41.21 H new ATOM 0 HZ3 LYS A 48 2.601 -15.502 -1.391 1.00 41.21 H new ATOM 746 N GLN A 49 -3.974 -16.745 -0.711 1.00 42.43 N ATOM 747 CA GLN A 49 -4.323 -16.771 0.717 1.00 54.14 C ATOM 748 C GLN A 49 -5.843 -16.864 0.887 1.00 72.31 C ATOM 749 O GLN A 49 -6.594 -16.742 -0.090 1.00 21.14 O ATOM 750 CB GLN A 49 -3.735 -15.514 1.418 1.00 21.13 C ATOM 751 CG GLN A 49 -2.202 -15.417 1.293 1.00 74.25 C ATOM 752 CD GLN A 49 -1.618 -14.174 1.946 1.00 54.44 C ATOM 753 OE1 GLN A 49 -1.511 -13.130 1.317 1.00 21.14 O ATOM 754 NE2 GLN A 49 -1.228 -14.274 3.202 1.00 65.23 N ATOM 0 H GLN A 49 -4.093 -15.828 -1.141 1.00 42.43 H new ATOM 0 HA GLN A 49 -3.889 -17.653 1.189 1.00 54.14 H new ATOM 0 HB2 GLN A 49 -4.186 -14.620 0.988 1.00 21.13 H new ATOM 0 HB3 GLN A 49 -4.008 -15.532 2.473 1.00 21.13 H new ATOM 0 HG2 GLN A 49 -1.752 -16.301 1.745 1.00 74.25 H new ATOM 0 HG3 GLN A 49 -1.930 -15.425 0.237 1.00 74.25 H new ATOM 0 HE21 GLN A 49 -1.331 -15.159 3.699 1.00 65.23 H new ATOM 0 HE22 GLN A 49 -0.824 -13.467 3.676 1.00 65.23 H new ATOM 763 N ALA A 50 -6.277 -17.102 2.134 1.00 41.43 N ATOM 764 CA ALA A 50 -7.696 -17.289 2.475 1.00 23.24 C ATOM 765 C ALA A 50 -8.431 -15.937 2.475 1.00 41.24 C ATOM 766 O ALA A 50 -9.520 -15.806 1.901 1.00 4.33 O ATOM 767 CB ALA A 50 -7.822 -18.002 3.837 1.00 23.30 C ATOM 0 H ALA A 50 -5.652 -17.170 2.937 1.00 41.43 H new ATOM 0 HA ALA A 50 -8.166 -17.919 1.720 1.00 23.24 H new ATOM 0 HB1 ALA A 50 -8.876 -18.136 4.081 1.00 23.30 H new ATOM 0 HB2 ALA A 50 -7.335 -18.976 3.784 1.00 23.30 H new ATOM 0 HB3 ALA A 50 -7.345 -17.399 4.609 1.00 23.30 H new ATOM 773 N ASP A 51 -7.806 -14.934 3.118 1.00 21.44 N ATOM 774 CA ASP A 51 -8.336 -13.562 3.207 1.00 23.12 C ATOM 775 C ASP A 51 -8.040 -12.800 1.890 1.00 42.20 C ATOM 776 O ASP A 51 -7.017 -12.125 1.733 1.00 1.33 O ATOM 777 CB ASP A 51 -7.780 -12.843 4.479 1.00 44.31 C ATOM 778 CG ASP A 51 -6.241 -12.761 4.557 1.00 23.24 C ATOM 779 OD1 ASP A 51 -5.579 -13.823 4.648 1.00 43.33 O ATOM 780 OD2 ASP A 51 -5.690 -11.644 4.525 1.00 11.32 O ATOM 0 H ASP A 51 -6.912 -15.054 3.594 1.00 21.44 H new ATOM 0 HA ASP A 51 -9.420 -13.586 3.322 1.00 23.12 H new ATOM 0 HB2 ASP A 51 -8.186 -11.832 4.514 1.00 44.31 H new ATOM 0 HB3 ASP A 51 -8.147 -13.364 5.363 1.00 44.31 H new ATOM 785 N LYS A 52 -8.961 -12.971 0.926 1.00 62.20 N ATOM 786 CA LYS A 52 -8.791 -12.514 -0.460 1.00 3.23 C ATOM 787 C LYS A 52 -9.219 -11.048 -0.656 1.00 23.32 C ATOM 788 O LYS A 52 -10.320 -10.759 -1.147 1.00 12.00 O ATOM 789 CB LYS A 52 -9.557 -13.454 -1.414 1.00 33.33 C ATOM 790 CG LYS A 52 -9.004 -14.888 -1.435 1.00 24.13 C ATOM 791 CD LYS A 52 -9.856 -15.828 -2.297 1.00 0.12 C ATOM 792 CE LYS A 52 -9.295 -17.254 -2.353 1.00 53.34 C ATOM 793 NZ LYS A 52 -10.207 -18.169 -3.081 1.00 71.31 N ATOM 0 H LYS A 52 -9.854 -13.436 1.091 1.00 62.20 H new ATOM 0 HA LYS A 52 -7.728 -12.552 -0.696 1.00 3.23 H new ATOM 0 HB2 LYS A 52 -10.606 -13.482 -1.119 1.00 33.33 H new ATOM 0 HB3 LYS A 52 -9.520 -13.044 -2.423 1.00 33.33 H new ATOM 0 HG2 LYS A 52 -7.983 -14.876 -1.816 1.00 24.13 H new ATOM 0 HG3 LYS A 52 -8.960 -15.273 -0.416 1.00 24.13 H new ATOM 0 HD2 LYS A 52 -10.871 -15.857 -1.901 1.00 0.12 H new ATOM 0 HD3 LYS A 52 -9.920 -15.428 -3.309 1.00 0.12 H new ATOM 0 HE2 LYS A 52 -8.321 -17.244 -2.843 1.00 53.34 H new ATOM 0 HE3 LYS A 52 -9.139 -17.625 -1.340 1.00 53.34 H new ATOM 0 HZ1 LYS A 52 -9.797 -19.125 -3.100 1.00 71.31 H new ATOM 0 HZ2 LYS A 52 -11.128 -18.197 -2.599 1.00 71.31 H new ATOM 0 HZ3 LYS A 52 -10.336 -17.828 -4.055 1.00 71.31 H new ATOM 807 N VAL A 53 -8.343 -10.141 -0.217 1.00 50.51 N ATOM 808 CA VAL A 53 -8.395 -8.706 -0.543 1.00 31.35 C ATOM 809 C VAL A 53 -6.996 -8.102 -0.343 1.00 60.42 C ATOM 810 O VAL A 53 -6.260 -8.510 0.564 1.00 33.31 O ATOM 811 CB VAL A 53 -9.482 -7.908 0.291 1.00 25.31 C ATOM 812 CG1 VAL A 53 -9.365 -8.153 1.811 1.00 33.12 C ATOM 813 CG2 VAL A 53 -9.452 -6.386 -0.024 1.00 63.41 C ATOM 0 H VAL A 53 -7.559 -10.385 0.388 1.00 50.51 H new ATOM 0 HA VAL A 53 -8.704 -8.613 -1.584 1.00 31.35 H new ATOM 0 HB VAL A 53 -10.448 -8.301 -0.026 1.00 25.31 H new ATOM 0 HG11 VAL A 53 -10.134 -7.582 2.332 1.00 33.12 H new ATOM 0 HG12 VAL A 53 -9.498 -9.215 2.020 1.00 33.12 H new ATOM 0 HG13 VAL A 53 -8.381 -7.836 2.156 1.00 33.12 H new ATOM 0 HG21 VAL A 53 -10.212 -5.877 0.568 1.00 63.41 H new ATOM 0 HG22 VAL A 53 -8.470 -5.983 0.222 1.00 63.41 H new ATOM 0 HG23 VAL A 53 -9.653 -6.230 -1.084 1.00 63.41 H new ATOM 823 N ALA A 54 -6.650 -7.125 -1.187 1.00 42.24 N ATOM 824 CA ALA A 54 -5.351 -6.453 -1.162 1.00 33.40 C ATOM 825 C ALA A 54 -5.493 -5.067 -0.539 1.00 35.14 C ATOM 826 O ALA A 54 -6.588 -4.496 -0.498 1.00 2.43 O ATOM 827 CB ALA A 54 -4.797 -6.325 -2.579 1.00 51.22 C ATOM 0 H ALA A 54 -7.273 -6.776 -1.915 1.00 42.24 H new ATOM 0 HA ALA A 54 -4.661 -7.047 -0.563 1.00 33.40 H new ATOM 0 HB1 ALA A 54 -3.830 -5.823 -2.548 1.00 51.22 H new ATOM 0 HB2 ALA A 54 -4.677 -7.317 -3.014 1.00 51.22 H new ATOM 0 HB3 ALA A 54 -5.488 -5.743 -3.189 1.00 51.22 H new ATOM 833 N TYR A 55 -4.370 -4.545 -0.044 1.00 4.24 N ATOM 834 CA TYR A 55 -4.275 -3.232 0.594 1.00 41.02 C ATOM 835 C TYR A 55 -2.944 -2.588 0.185 1.00 33.31 C ATOM 836 O TYR A 55 -1.879 -2.957 0.690 1.00 73.42 O ATOM 837 CB TYR A 55 -4.378 -3.354 2.140 1.00 31.22 C ATOM 838 CG TYR A 55 -5.775 -3.740 2.663 1.00 21.45 C ATOM 839 CD1 TYR A 55 -6.157 -5.076 2.822 1.00 62.11 C ATOM 840 CD2 TYR A 55 -6.717 -2.758 2.996 1.00 52.23 C ATOM 841 CE1 TYR A 55 -7.414 -5.409 3.282 1.00 33.21 C ATOM 842 CE2 TYR A 55 -7.972 -3.097 3.456 1.00 21.45 C ATOM 843 CZ TYR A 55 -8.315 -4.419 3.595 1.00 41.22 C ATOM 844 OH TYR A 55 -9.576 -4.754 4.036 1.00 43.12 O ATOM 0 H TYR A 55 -3.477 -5.037 -0.077 1.00 4.24 H new ATOM 0 HA TYR A 55 -5.104 -2.606 0.265 1.00 41.02 H new ATOM 0 HB2 TYR A 55 -3.659 -4.099 2.481 1.00 31.22 H new ATOM 0 HB3 TYR A 55 -4.088 -2.403 2.586 1.00 31.22 H new ATOM 0 HD1 TYR A 55 -5.455 -5.861 2.580 1.00 62.11 H new ATOM 0 HD2 TYR A 55 -6.455 -1.716 2.890 1.00 52.23 H new ATOM 0 HE1 TYR A 55 -7.690 -6.447 3.396 1.00 33.21 H new ATOM 0 HE2 TYR A 55 -8.684 -2.324 3.706 1.00 21.45 H new ATOM 0 HH TYR A 55 -10.240 -4.186 3.592 1.00 43.12 H new ATOM 854 N LEU A 56 -3.021 -1.665 -0.775 1.00 33.04 N ATOM 855 CA LEU A 56 -1.874 -0.895 -1.262 1.00 2.31 C ATOM 856 C LEU A 56 -1.434 0.116 -0.183 1.00 25.45 C ATOM 857 O LEU A 56 -2.025 1.191 -0.037 1.00 52.33 O ATOM 858 CB LEU A 56 -2.256 -0.192 -2.600 1.00 41.20 C ATOM 859 CG LEU A 56 -1.193 0.763 -3.244 1.00 22.22 C ATOM 860 CD1 LEU A 56 0.145 0.043 -3.552 1.00 3.33 C ATOM 861 CD2 LEU A 56 -1.775 1.434 -4.508 1.00 54.24 C ATOM 0 H LEU A 56 -3.895 -1.427 -1.244 1.00 33.04 H new ATOM 0 HA LEU A 56 -1.029 -1.555 -1.459 1.00 2.31 H new ATOM 0 HB2 LEU A 56 -2.499 -0.965 -3.329 1.00 41.20 H new ATOM 0 HB3 LEU A 56 -3.166 0.383 -2.430 1.00 41.20 H new ATOM 0 HG LEU A 56 -0.961 1.536 -2.511 1.00 22.22 H new ATOM 0 HD11 LEU A 56 0.845 0.750 -3.997 1.00 3.33 H new ATOM 0 HD12 LEU A 56 0.567 -0.352 -2.628 1.00 3.33 H new ATOM 0 HD13 LEU A 56 -0.034 -0.776 -4.248 1.00 3.33 H new ATOM 0 HD21 LEU A 56 -1.027 2.095 -4.946 1.00 54.24 H new ATOM 0 HD22 LEU A 56 -2.051 0.668 -5.232 1.00 54.24 H new ATOM 0 HD23 LEU A 56 -2.658 2.013 -4.239 1.00 54.24 H new ATOM 873 N VAL A 57 -0.409 -0.277 0.589 1.00 63.34 N ATOM 874 CA VAL A 57 0.170 0.547 1.657 1.00 62.14 C ATOM 875 C VAL A 57 1.249 1.448 1.039 1.00 72.44 C ATOM 876 O VAL A 57 2.210 0.955 0.436 1.00 4.12 O ATOM 877 CB VAL A 57 0.790 -0.345 2.807 1.00 54.45 C ATOM 878 CG1 VAL A 57 1.428 0.520 3.928 1.00 52.21 C ATOM 879 CG2 VAL A 57 -0.280 -1.305 3.381 1.00 0.03 C ATOM 0 H VAL A 57 0.044 -1.185 0.487 1.00 63.34 H new ATOM 0 HA VAL A 57 -0.616 1.152 2.110 1.00 62.14 H new ATOM 0 HB VAL A 57 1.591 -0.942 2.371 1.00 54.45 H new ATOM 0 HG11 VAL A 57 1.842 -0.131 4.698 1.00 52.21 H new ATOM 0 HG12 VAL A 57 2.223 1.134 3.506 1.00 52.21 H new ATOM 0 HG13 VAL A 57 0.667 1.164 4.368 1.00 52.21 H new ATOM 0 HG21 VAL A 57 0.162 -1.912 4.171 1.00 0.03 H new ATOM 0 HG22 VAL A 57 -1.108 -0.725 3.789 1.00 0.03 H new ATOM 0 HG23 VAL A 57 -0.649 -1.955 2.588 1.00 0.03 H new ATOM 889 N MET A 58 1.045 2.766 1.168 1.00 52.10 N ATOM 890 CA MET A 58 1.939 3.800 0.633 1.00 25.21 C ATOM 891 C MET A 58 2.174 4.866 1.710 1.00 52.33 C ATOM 892 O MET A 58 1.516 4.864 2.760 1.00 3.05 O ATOM 893 CB MET A 58 1.316 4.449 -0.646 1.00 35.20 C ATOM 894 CG MET A 58 0.084 5.344 -0.408 1.00 23.03 C ATOM 895 SD MET A 58 -0.583 6.097 -1.916 1.00 73.42 S ATOM 896 CE MET A 58 -1.243 4.682 -2.798 1.00 62.50 C ATOM 0 H MET A 58 0.237 3.150 1.657 1.00 52.10 H new ATOM 0 HA MET A 58 2.891 3.348 0.356 1.00 25.21 H new ATOM 0 HB2 MET A 58 2.084 5.044 -1.140 1.00 35.20 H new ATOM 0 HB3 MET A 58 1.036 3.653 -1.336 1.00 35.20 H new ATOM 0 HG2 MET A 58 -0.698 4.750 0.066 1.00 23.03 H new ATOM 0 HG3 MET A 58 0.352 6.135 0.293 1.00 23.03 H new ATOM 0 HE1 MET A 58 -2.058 5.005 -3.445 1.00 62.50 H new ATOM 0 HE2 MET A 58 -0.456 4.231 -3.403 1.00 62.50 H new ATOM 0 HE3 MET A 58 -1.616 3.949 -2.083 1.00 62.50 H new ATOM 906 N ASP A 59 3.115 5.768 1.438 1.00 60.30 N ATOM 907 CA ASP A 59 3.345 6.975 2.251 1.00 2.11 C ATOM 908 C ASP A 59 2.576 8.165 1.642 1.00 25.02 C ATOM 909 O ASP A 59 1.956 8.033 0.576 1.00 3.21 O ATOM 910 CB ASP A 59 4.859 7.262 2.332 1.00 22.43 C ATOM 911 CG ASP A 59 5.549 7.341 0.955 1.00 54.50 C ATOM 912 OD1 ASP A 59 5.585 8.433 0.354 1.00 33.51 O ATOM 913 OD2 ASP A 59 6.032 6.293 0.457 1.00 63.23 O ATOM 0 H ASP A 59 3.748 5.687 0.642 1.00 60.30 H new ATOM 0 HA ASP A 59 2.975 6.818 3.264 1.00 2.11 H new ATOM 0 HB2 ASP A 59 5.014 8.203 2.861 1.00 22.43 H new ATOM 0 HB3 ASP A 59 5.337 6.481 2.924 1.00 22.43 H new ATOM 918 N GLU A 60 2.629 9.331 2.311 1.00 50.32 N ATOM 919 CA GLU A 60 1.870 10.517 1.876 1.00 61.43 C ATOM 920 C GLU A 60 2.517 11.198 0.649 1.00 4.42 C ATOM 921 O GLU A 60 1.805 11.809 -0.152 1.00 74.03 O ATOM 922 CB GLU A 60 1.659 11.516 3.047 1.00 53.43 C ATOM 923 CG GLU A 60 0.751 12.716 2.688 1.00 31.11 C ATOM 924 CD GLU A 60 0.211 13.474 3.907 1.00 12.24 C ATOM 925 OE1 GLU A 60 0.987 14.208 4.549 1.00 73.40 O ATOM 926 OE2 GLU A 60 -0.995 13.346 4.221 1.00 72.22 O ATOM 0 H GLU A 60 3.187 9.477 3.152 1.00 50.32 H new ATOM 0 HA GLU A 60 0.885 10.173 1.561 1.00 61.43 H new ATOM 0 HB2 GLU A 60 1.224 10.983 3.893 1.00 53.43 H new ATOM 0 HB3 GLU A 60 2.630 11.891 3.372 1.00 53.43 H new ATOM 0 HG2 GLU A 60 1.312 13.409 2.061 1.00 31.11 H new ATOM 0 HG3 GLU A 60 -0.090 12.358 2.094 1.00 31.11 H new ATOM 933 N ARG A 61 3.850 11.052 0.471 1.00 0.15 N ATOM 934 CA ARG A 61 4.562 11.632 -0.702 1.00 44.10 C ATOM 935 C ARG A 61 4.136 10.903 -1.993 1.00 32.44 C ATOM 936 O ARG A 61 4.113 11.493 -3.082 1.00 64.42 O ATOM 937 CB ARG A 61 6.103 11.554 -0.528 1.00 65.34 C ATOM 938 CG ARG A 61 6.625 12.117 0.809 1.00 42.52 C ATOM 939 CD ARG A 61 6.182 13.564 1.065 1.00 40.25 C ATOM 940 NE ARG A 61 6.691 14.076 2.342 1.00 42.31 N ATOM 941 CZ ARG A 61 6.945 15.359 2.610 1.00 34.12 C ATOM 942 NH1 ARG A 61 6.751 16.308 1.691 1.00 21.41 N ATOM 943 NH2 ARG A 61 7.402 15.684 3.804 1.00 31.11 N ATOM 0 H ARG A 61 4.454 10.543 1.116 1.00 0.15 H new ATOM 0 HA ARG A 61 4.287 12.684 -0.774 1.00 44.10 H new ATOM 0 HB2 ARG A 61 6.413 10.513 -0.615 1.00 65.34 H new ATOM 0 HB3 ARG A 61 6.576 12.097 -1.346 1.00 65.34 H new ATOM 0 HG2 ARG A 61 6.273 11.486 1.625 1.00 42.52 H new ATOM 0 HG3 ARG A 61 7.714 12.070 0.816 1.00 42.52 H new ATOM 0 HD2 ARG A 61 6.534 14.200 0.253 1.00 40.25 H new ATOM 0 HD3 ARG A 61 5.093 13.616 1.061 1.00 40.25 H new ATOM 0 HE ARG A 61 6.865 13.398 3.084 1.00 42.31 H new ATOM 0 HH11 ARG A 61 6.403 16.058 0.765 1.00 21.41 H new ATOM 0 HH12 ARG A 61 6.951 17.283 1.915 1.00 21.41 H new ATOM 0 HH21 ARG A 61 7.556 14.960 4.506 1.00 31.11 H new ATOM 0 HH22 ARG A 61 7.601 16.659 4.026 1.00 31.11 H new ATOM 957 N THR A 62 3.793 9.611 -1.834 1.00 42.30 N ATOM 958 CA THR A 62 3.179 8.796 -2.891 1.00 15.32 C ATOM 959 C THR A 62 1.765 9.318 -3.217 1.00 50.24 C ATOM 960 O THR A 62 1.400 9.476 -4.388 1.00 33.44 O ATOM 961 CB THR A 62 3.091 7.297 -2.457 1.00 51.31 C ATOM 962 OG1 THR A 62 4.384 6.824 -2.065 1.00 31.52 O ATOM 963 CG2 THR A 62 2.545 6.399 -3.577 1.00 3.14 C ATOM 0 H THR A 62 3.936 9.103 -0.961 1.00 42.30 H new ATOM 0 HA THR A 62 3.807 8.870 -3.779 1.00 15.32 H new ATOM 0 HB THR A 62 2.399 7.247 -1.617 1.00 51.31 H new ATOM 0 HG1 THR A 62 4.320 5.885 -1.793 1.00 31.52 H new ATOM 0 HG21 THR A 62 2.502 5.367 -3.228 1.00 3.14 H new ATOM 0 HG22 THR A 62 1.544 6.730 -3.853 1.00 3.14 H new ATOM 0 HG23 THR A 62 3.201 6.461 -4.446 1.00 3.14 H new ATOM 971 N TRP A 63 0.999 9.608 -2.147 1.00 1.33 N ATOM 972 CA TRP A 63 -0.393 10.075 -2.243 1.00 10.34 C ATOM 973 C TRP A 63 -0.502 11.437 -2.957 1.00 35.21 C ATOM 974 O TRP A 63 -1.492 11.689 -3.637 1.00 52.22 O ATOM 975 CB TRP A 63 -1.035 10.155 -0.836 1.00 62.41 C ATOM 976 CG TRP A 63 -2.464 10.652 -0.837 1.00 14.31 C ATOM 977 CD1 TRP A 63 -2.916 11.893 -0.459 1.00 62.04 C ATOM 978 CD2 TRP A 63 -3.623 9.922 -1.270 1.00 4.41 C ATOM 979 NE1 TRP A 63 -4.276 11.961 -0.602 1.00 10.54 N ATOM 980 CE2 TRP A 63 -4.731 10.768 -1.103 1.00 10.40 C ATOM 981 CE3 TRP A 63 -3.830 8.630 -1.774 1.00 34.00 C ATOM 982 CZ2 TRP A 63 -6.020 10.372 -1.420 1.00 42.41 C ATOM 983 CZ3 TRP A 63 -5.115 8.240 -2.092 1.00 64.42 C ATOM 984 CH2 TRP A 63 -6.195 9.108 -1.912 1.00 10.44 C ATOM 0 H TRP A 63 1.333 9.523 -1.187 1.00 1.33 H new ATOM 0 HA TRP A 63 -0.936 9.347 -2.845 1.00 10.34 H new ATOM 0 HB2 TRP A 63 -1.006 9.166 -0.378 1.00 62.41 H new ATOM 0 HB3 TRP A 63 -0.433 10.814 -0.210 1.00 62.41 H new ATOM 0 HD1 TRP A 63 -2.290 12.697 -0.101 1.00 62.04 H new ATOM 0 HE1 TRP A 63 -4.857 12.768 -0.373 1.00 10.54 H new ATOM 0 HE3 TRP A 63 -3.000 7.953 -1.911 1.00 34.00 H new ATOM 0 HZ2 TRP A 63 -6.858 11.039 -1.283 1.00 42.41 H new ATOM 0 HZ3 TRP A 63 -5.288 7.249 -2.486 1.00 64.42 H new ATOM 0 HH2 TRP A 63 -7.190 8.773 -2.167 1.00 10.44 H new ATOM 995 N LYS A 64 0.519 12.307 -2.801 1.00 4.11 N ATOM 996 CA LYS A 64 0.554 13.632 -3.466 1.00 15.14 C ATOM 997 C LYS A 64 0.467 13.498 -5.001 1.00 35.33 C ATOM 998 O LYS A 64 -0.018 14.400 -5.688 1.00 64.04 O ATOM 999 CB LYS A 64 1.827 14.417 -3.060 1.00 72.42 C ATOM 1000 CG LYS A 64 1.962 14.671 -1.542 1.00 33.42 C ATOM 1001 CD LYS A 64 0.687 15.300 -0.921 1.00 70.01 C ATOM 1002 CE LYS A 64 0.908 15.810 0.507 1.00 42.13 C ATOM 1003 NZ LYS A 64 -0.300 16.500 1.028 1.00 71.14 N ATOM 0 H LYS A 64 1.334 12.116 -2.218 1.00 4.11 H new ATOM 0 HA LYS A 64 -0.320 14.190 -3.131 1.00 15.14 H new ATOM 0 HB2 LYS A 64 2.703 13.867 -3.404 1.00 72.42 H new ATOM 0 HB3 LYS A 64 1.829 15.376 -3.578 1.00 72.42 H new ATOM 0 HG2 LYS A 64 2.179 13.729 -1.039 1.00 33.42 H new ATOM 0 HG3 LYS A 64 2.811 15.331 -1.363 1.00 33.42 H new ATOM 0 HD2 LYS A 64 0.353 16.126 -1.549 1.00 70.01 H new ATOM 0 HD3 LYS A 64 -0.112 14.559 -0.917 1.00 70.01 H new ATOM 0 HE2 LYS A 64 1.161 14.974 1.159 1.00 42.13 H new ATOM 0 HE3 LYS A 64 1.756 16.495 0.523 1.00 42.13 H new ATOM 0 HZ1 LYS A 64 -0.119 16.834 1.996 1.00 71.14 H new ATOM 0 HZ2 LYS A 64 -0.526 17.312 0.419 1.00 71.14 H new ATOM 0 HZ3 LYS A 64 -1.102 15.838 1.034 1.00 71.14 H new ATOM 1017 N LYS A 65 0.939 12.346 -5.511 1.00 13.34 N ATOM 1018 CA LYS A 65 0.826 11.974 -6.931 1.00 51.32 C ATOM 1019 C LYS A 65 -0.540 11.321 -7.217 1.00 10.54 C ATOM 1020 O LYS A 65 -1.237 11.742 -8.131 1.00 30.05 O ATOM 1021 CB LYS A 65 1.988 11.018 -7.330 1.00 23.51 C ATOM 1022 CG LYS A 65 3.394 11.654 -7.219 1.00 72.32 C ATOM 1023 CD LYS A 65 3.590 12.886 -8.137 1.00 75.25 C ATOM 1024 CE LYS A 65 3.428 12.545 -9.627 1.00 24.43 C ATOM 1025 NZ LYS A 65 3.552 13.747 -10.492 1.00 45.14 N ATOM 0 H LYS A 65 1.413 11.643 -4.944 1.00 13.34 H new ATOM 0 HA LYS A 65 0.899 12.879 -7.534 1.00 51.32 H new ATOM 0 HB2 LYS A 65 1.950 10.133 -6.695 1.00 23.51 H new ATOM 0 HB3 LYS A 65 1.832 10.682 -8.355 1.00 23.51 H new ATOM 0 HG2 LYS A 65 3.569 11.950 -6.185 1.00 72.32 H new ATOM 0 HG3 LYS A 65 4.144 10.903 -7.467 1.00 72.32 H new ATOM 0 HD2 LYS A 65 2.869 13.656 -7.864 1.00 75.25 H new ATOM 0 HD3 LYS A 65 4.582 13.305 -7.970 1.00 75.25 H new ATOM 0 HE2 LYS A 65 4.182 11.812 -9.915 1.00 24.43 H new ATOM 0 HE3 LYS A 65 2.455 12.081 -9.789 1.00 24.43 H new ATOM 0 HZ1 LYS A 65 3.436 13.471 -11.488 1.00 45.14 H new ATOM 0 HZ2 LYS A 65 2.817 14.436 -10.236 1.00 45.14 H new ATOM 0 HZ3 LYS A 65 4.490 14.176 -10.358 1.00 45.14 H new ATOM 1039 N VAL A 66 -0.912 10.315 -6.393 1.00 50.01 N ATOM 1040 CA VAL A 66 -2.144 9.502 -6.570 1.00 51.43 C ATOM 1041 C VAL A 66 -3.418 10.384 -6.594 1.00 62.22 C ATOM 1042 O VAL A 66 -4.166 10.376 -7.579 1.00 44.43 O ATOM 1043 CB VAL A 66 -2.234 8.400 -5.438 1.00 13.12 C ATOM 1044 CG1 VAL A 66 -3.573 7.621 -5.472 1.00 34.21 C ATOM 1045 CG2 VAL A 66 -1.022 7.434 -5.535 1.00 14.11 C ATOM 0 H VAL A 66 -0.363 10.040 -5.579 1.00 50.01 H new ATOM 0 HA VAL A 66 -2.085 9.006 -7.539 1.00 51.43 H new ATOM 0 HB VAL A 66 -2.202 8.914 -4.478 1.00 13.12 H new ATOM 0 HG11 VAL A 66 -3.582 6.878 -4.675 1.00 34.21 H new ATOM 0 HG12 VAL A 66 -4.401 8.315 -5.330 1.00 34.21 H new ATOM 0 HG13 VAL A 66 -3.679 7.121 -6.435 1.00 34.21 H new ATOM 0 HG21 VAL A 66 -1.094 6.680 -4.751 1.00 14.11 H new ATOM 0 HG22 VAL A 66 -1.023 6.946 -6.510 1.00 14.11 H new ATOM 0 HG23 VAL A 66 -0.097 7.997 -5.412 1.00 14.11 H new ATOM 1055 N TYR A 67 -3.611 11.159 -5.512 1.00 54.23 N ATOM 1056 CA TYR A 67 -4.722 12.131 -5.350 1.00 63.13 C ATOM 1057 C TYR A 67 -4.824 13.103 -6.548 1.00 0.45 C ATOM 1058 O TYR A 67 -5.926 13.389 -7.046 1.00 43.04 O ATOM 1059 CB TYR A 67 -4.487 12.931 -4.039 1.00 24.04 C ATOM 1060 CG TYR A 67 -5.517 14.032 -3.730 1.00 11.53 C ATOM 1061 CD1 TYR A 67 -6.752 13.719 -3.165 1.00 34.24 C ATOM 1062 CD2 TYR A 67 -5.251 15.383 -3.993 1.00 11.44 C ATOM 1063 CE1 TYR A 67 -7.682 14.702 -2.874 1.00 40.34 C ATOM 1064 CE2 TYR A 67 -6.180 16.365 -3.703 1.00 62.31 C ATOM 1065 CZ TYR A 67 -7.392 16.022 -3.144 1.00 45.34 C ATOM 1066 OH TYR A 67 -8.316 17.007 -2.858 1.00 12.11 O ATOM 0 H TYR A 67 -2.988 11.131 -4.704 1.00 54.23 H new ATOM 0 HA TYR A 67 -5.661 11.580 -5.305 1.00 63.13 H new ATOM 0 HB2 TYR A 67 -4.473 12.229 -3.205 1.00 24.04 H new ATOM 0 HB3 TYR A 67 -3.499 13.388 -4.087 1.00 24.04 H new ATOM 0 HD1 TYR A 67 -6.988 12.687 -2.950 1.00 34.24 H new ATOM 0 HD2 TYR A 67 -4.303 15.662 -4.430 1.00 11.44 H new ATOM 0 HE1 TYR A 67 -8.633 14.435 -2.436 1.00 40.34 H new ATOM 0 HE2 TYR A 67 -5.956 17.400 -3.914 1.00 62.31 H new ATOM 0 HH TYR A 67 -7.951 17.881 -3.110 1.00 12.11 H new ATOM 1076 N ASP A 68 -3.649 13.588 -6.996 1.00 13.15 N ATOM 1077 CA ASP A 68 -3.542 14.586 -8.073 1.00 30.32 C ATOM 1078 C ASP A 68 -3.963 13.978 -9.422 1.00 40.15 C ATOM 1079 O ASP A 68 -4.694 14.608 -10.194 1.00 25.42 O ATOM 1080 CB ASP A 68 -2.096 15.142 -8.168 1.00 23.31 C ATOM 1081 CG ASP A 68 -1.960 16.257 -9.223 1.00 63.51 C ATOM 1082 OD1 ASP A 68 -2.217 17.439 -8.888 1.00 4.13 O ATOM 1083 OD2 ASP A 68 -1.611 15.965 -10.392 1.00 32.34 O ATOM 0 H ASP A 68 -2.747 13.297 -6.619 1.00 13.15 H new ATOM 0 HA ASP A 68 -4.216 15.409 -7.835 1.00 30.32 H new ATOM 0 HB2 ASP A 68 -1.794 15.529 -7.195 1.00 23.31 H new ATOM 0 HB3 ASP A 68 -1.413 14.329 -8.414 1.00 23.31 H new ATOM 1088 N LEU A 69 -3.510 12.730 -9.663 1.00 75.23 N ATOM 1089 CA LEU A 69 -3.776 11.986 -10.910 1.00 33.10 C ATOM 1090 C LEU A 69 -5.267 11.654 -11.045 1.00 33.31 C ATOM 1091 O LEU A 69 -5.803 11.630 -12.158 1.00 70.02 O ATOM 1092 CB LEU A 69 -2.928 10.685 -10.961 1.00 64.12 C ATOM 1093 CG LEU A 69 -1.395 10.879 -11.162 1.00 60.21 C ATOM 1094 CD1 LEU A 69 -0.649 9.529 -11.078 1.00 1.22 C ATOM 1095 CD2 LEU A 69 -1.101 11.616 -12.493 1.00 35.44 C ATOM 0 H LEU A 69 -2.946 12.208 -8.993 1.00 75.23 H new ATOM 0 HA LEU A 69 -3.491 12.622 -11.748 1.00 33.10 H new ATOM 0 HB2 LEU A 69 -3.086 10.135 -10.034 1.00 64.12 H new ATOM 0 HB3 LEU A 69 -3.305 10.060 -11.771 1.00 64.12 H new ATOM 0 HG LEU A 69 -1.022 11.506 -10.352 1.00 60.21 H new ATOM 0 HD11 LEU A 69 0.419 9.694 -11.222 1.00 1.22 H new ATOM 0 HD12 LEU A 69 -0.818 9.080 -10.099 1.00 1.22 H new ATOM 0 HD13 LEU A 69 -1.020 8.859 -11.854 1.00 1.22 H new ATOM 0 HD21 LEU A 69 -0.024 11.739 -12.610 1.00 35.44 H new ATOM 0 HD22 LEU A 69 -1.492 11.032 -13.326 1.00 35.44 H new ATOM 0 HD23 LEU A 69 -1.579 12.595 -12.480 1.00 35.44 H new ATOM 1107 N LEU A 70 -5.928 11.409 -9.901 1.00 73.44 N ATOM 1108 CA LEU A 70 -7.377 11.157 -9.855 1.00 53.21 C ATOM 1109 C LEU A 70 -8.147 12.382 -10.392 1.00 31.35 C ATOM 1110 O LEU A 70 -8.849 12.281 -11.402 1.00 32.12 O ATOM 1111 CB LEU A 70 -7.817 10.783 -8.410 1.00 62.01 C ATOM 1112 CG LEU A 70 -7.238 9.439 -7.860 1.00 13.15 C ATOM 1113 CD1 LEU A 70 -7.658 9.203 -6.392 1.00 41.31 C ATOM 1114 CD2 LEU A 70 -7.633 8.247 -8.770 1.00 2.00 C ATOM 0 H LEU A 70 -5.475 11.380 -8.987 1.00 73.44 H new ATOM 0 HA LEU A 70 -7.615 10.309 -10.498 1.00 53.21 H new ATOM 0 HB2 LEU A 70 -7.521 11.589 -7.738 1.00 62.01 H new ATOM 0 HB3 LEU A 70 -8.905 10.729 -8.382 1.00 62.01 H new ATOM 0 HG LEU A 70 -6.151 9.514 -7.874 1.00 13.15 H new ATOM 0 HD11 LEU A 70 -7.239 8.260 -6.041 1.00 41.31 H new ATOM 0 HD12 LEU A 70 -7.287 10.019 -5.772 1.00 41.31 H new ATOM 0 HD13 LEU A 70 -8.745 9.163 -6.327 1.00 41.31 H new ATOM 0 HD21 LEU A 70 -7.217 7.325 -8.363 1.00 2.00 H new ATOM 0 HD22 LEU A 70 -8.719 8.167 -8.813 1.00 2.00 H new ATOM 0 HD23 LEU A 70 -7.241 8.410 -9.774 1.00 2.00 H new ATOM 1126 N ILE A 71 -7.923 13.552 -9.760 1.00 12.11 N ATOM 1127 CA ILE A 71 -8.589 14.829 -10.138 1.00 25.40 C ATOM 1128 C ILE A 71 -8.176 15.290 -11.568 1.00 14.32 C ATOM 1129 O ILE A 71 -8.955 15.940 -12.272 1.00 62.25 O ATOM 1130 CB ILE A 71 -8.295 15.953 -9.065 1.00 1.10 C ATOM 1131 CG1 ILE A 71 -8.733 15.458 -7.646 1.00 75.11 C ATOM 1132 CG2 ILE A 71 -8.987 17.300 -9.426 1.00 61.44 C ATOM 1133 CD1 ILE A 71 -8.550 16.469 -6.531 1.00 43.40 C ATOM 0 H ILE A 71 -7.279 13.645 -8.975 1.00 12.11 H new ATOM 0 HA ILE A 71 -9.664 14.651 -10.155 1.00 25.40 H new ATOM 0 HB ILE A 71 -7.222 16.144 -9.060 1.00 1.10 H new ATOM 0 HG12 ILE A 71 -9.783 15.170 -7.686 1.00 75.11 H new ATOM 0 HG13 ILE A 71 -8.166 14.561 -7.399 1.00 75.11 H new ATOM 0 HG21 ILE A 71 -8.758 18.043 -8.662 1.00 61.44 H new ATOM 0 HG22 ILE A 71 -8.622 17.649 -10.392 1.00 61.44 H new ATOM 0 HG23 ILE A 71 -10.066 17.153 -9.477 1.00 61.44 H new ATOM 0 HD11 ILE A 71 -8.881 16.034 -5.588 1.00 43.40 H new ATOM 0 HD12 ILE A 71 -7.497 16.741 -6.456 1.00 43.40 H new ATOM 0 HD13 ILE A 71 -9.140 17.360 -6.747 1.00 43.40 H new ATOM 1145 N LEU A 72 -6.962 14.885 -11.995 1.00 53.00 N ATOM 1146 CA LEU A 72 -6.451 15.105 -13.371 1.00 60.44 C ATOM 1147 C LEU A 72 -7.364 14.378 -14.385 1.00 21.44 C ATOM 1148 O LEU A 72 -7.780 14.951 -15.392 1.00 61.43 O ATOM 1149 CB LEU A 72 -4.968 14.601 -13.453 1.00 4.21 C ATOM 1150 CG LEU A 72 -4.145 14.823 -14.785 1.00 41.40 C ATOM 1151 CD1 LEU A 72 -4.443 13.760 -15.879 1.00 21.35 C ATOM 1152 CD2 LEU A 72 -4.337 16.260 -15.328 1.00 1.20 C ATOM 0 H LEU A 72 -6.302 14.393 -11.393 1.00 53.00 H new ATOM 0 HA LEU A 72 -6.463 16.167 -13.618 1.00 60.44 H new ATOM 0 HB2 LEU A 72 -4.415 15.078 -12.644 1.00 4.21 H new ATOM 0 HB3 LEU A 72 -4.974 13.531 -13.247 1.00 4.21 H new ATOM 0 HG LEU A 72 -3.096 14.693 -14.519 1.00 41.40 H new ATOM 0 HD11 LEU A 72 -3.845 13.972 -16.765 1.00 21.35 H new ATOM 0 HD12 LEU A 72 -4.192 12.769 -15.501 1.00 21.35 H new ATOM 0 HD13 LEU A 72 -5.501 13.792 -16.139 1.00 21.35 H new ATOM 0 HD21 LEU A 72 -3.759 16.383 -16.244 1.00 1.20 H new ATOM 0 HD22 LEU A 72 -5.393 16.431 -15.539 1.00 1.20 H new ATOM 0 HD23 LEU A 72 -3.994 16.979 -14.584 1.00 1.20 H new ATOM 1164 N HIS A 73 -7.677 13.105 -14.075 1.00 10.14 N ATOM 1165 CA HIS A 73 -8.574 12.244 -14.884 1.00 14.44 C ATOM 1166 C HIS A 73 -10.058 12.663 -14.733 1.00 42.41 C ATOM 1167 O HIS A 73 -10.910 12.201 -15.506 1.00 43.30 O ATOM 1168 CB HIS A 73 -8.370 10.747 -14.509 1.00 64.41 C ATOM 1169 CG HIS A 73 -7.117 10.142 -15.093 1.00 5.04 C ATOM 1170 ND1 HIS A 73 -7.135 9.082 -15.968 1.00 1.13 N ATOM 1171 CD2 HIS A 73 -5.807 10.459 -14.933 1.00 64.20 C ATOM 1172 CE1 HIS A 73 -5.903 8.769 -16.313 1.00 15.50 C ATOM 1173 NE2 HIS A 73 -5.080 9.592 -15.700 1.00 11.05 N ATOM 0 H HIS A 73 -7.312 12.636 -13.246 1.00 10.14 H new ATOM 0 HA HIS A 73 -8.310 12.376 -15.933 1.00 14.44 H new ATOM 0 HB2 HIS A 73 -8.336 10.655 -13.423 1.00 64.41 H new ATOM 0 HB3 HIS A 73 -9.233 10.175 -14.851 1.00 64.41 H new ATOM 0 HD2 HIS A 73 -5.412 11.251 -14.314 1.00 64.20 H new ATOM 0 HE1 HIS A 73 -5.617 7.973 -16.984 1.00 15.50 H new ATOM 0 HE2 HIS A 73 -4.063 9.584 -15.784 1.00 11.05 H new ATOM 1182 N ASP A 74 -10.328 13.490 -13.697 1.00 13.32 N ATOM 1183 CA ASP A 74 -11.655 14.053 -13.349 1.00 63.42 C ATOM 1184 C ASP A 74 -12.419 13.084 -12.423 1.00 10.35 C ATOM 1185 O ASP A 74 -13.568 12.699 -12.658 1.00 54.04 O ATOM 1186 CB ASP A 74 -12.484 14.520 -14.592 1.00 64.54 C ATOM 1187 CG ASP A 74 -13.743 15.337 -14.222 1.00 0.01 C ATOM 1188 OD1 ASP A 74 -13.594 16.492 -13.760 1.00 43.24 O ATOM 1189 OD2 ASP A 74 -14.877 14.833 -14.386 1.00 75.32 O ATOM 0 H ASP A 74 -9.598 13.796 -13.054 1.00 13.32 H new ATOM 0 HA ASP A 74 -11.486 14.975 -12.792 1.00 63.42 H new ATOM 0 HB2 ASP A 74 -11.846 15.123 -15.238 1.00 64.54 H new ATOM 0 HB3 ASP A 74 -12.785 13.645 -15.168 1.00 64.54 H new ATOM 1194 N PHE A 75 -11.706 12.666 -11.374 1.00 35.24 N ATOM 1195 CA PHE A 75 -12.235 11.895 -10.244 1.00 52.54 C ATOM 1196 C PHE A 75 -12.173 12.845 -9.036 1.00 63.02 C ATOM 1197 O PHE A 75 -11.131 12.966 -8.381 1.00 53.45 O ATOM 1198 CB PHE A 75 -11.380 10.610 -10.040 1.00 14.20 C ATOM 1199 CG PHE A 75 -11.966 9.562 -9.093 1.00 4.21 C ATOM 1200 CD1 PHE A 75 -13.117 8.855 -9.445 1.00 13.20 C ATOM 1201 CD2 PHE A 75 -11.348 9.252 -7.876 1.00 3.21 C ATOM 1202 CE1 PHE A 75 -13.632 7.884 -8.611 1.00 54.25 C ATOM 1203 CE2 PHE A 75 -11.862 8.275 -7.047 1.00 70.53 C ATOM 1204 CZ PHE A 75 -13.005 7.591 -7.417 1.00 2.23 C ATOM 0 H PHE A 75 -10.709 12.862 -11.284 1.00 35.24 H new ATOM 0 HA PHE A 75 -13.258 11.553 -10.401 1.00 52.54 H new ATOM 0 HB2 PHE A 75 -11.221 10.144 -11.013 1.00 14.20 H new ATOM 0 HB3 PHE A 75 -10.400 10.905 -9.664 1.00 14.20 H new ATOM 0 HD1 PHE A 75 -13.610 9.071 -10.381 1.00 13.20 H new ATOM 0 HD2 PHE A 75 -10.456 9.785 -7.581 1.00 3.21 H new ATOM 0 HE1 PHE A 75 -14.528 7.352 -8.893 1.00 54.25 H new ATOM 0 HE2 PHE A 75 -11.373 8.046 -6.112 1.00 70.53 H new ATOM 0 HZ PHE A 75 -13.408 6.826 -6.770 1.00 2.23 H new ATOM 1214 N THR A 76 -13.294 13.550 -8.818 1.00 24.33 N ATOM 1215 CA THR A 76 -13.387 14.769 -7.985 1.00 0.32 C ATOM 1216 C THR A 76 -12.945 14.522 -6.507 1.00 71.30 C ATOM 1217 O THR A 76 -13.026 13.380 -6.026 1.00 23.54 O ATOM 1218 CB THR A 76 -14.866 15.329 -8.057 1.00 13.31 C ATOM 1219 OG1 THR A 76 -14.946 16.669 -7.567 1.00 11.31 O ATOM 1220 CG2 THR A 76 -15.853 14.467 -7.266 1.00 25.30 C ATOM 0 H THR A 76 -14.190 13.283 -9.227 1.00 24.33 H new ATOM 0 HA THR A 76 -12.693 15.510 -8.383 1.00 0.32 H new ATOM 0 HB THR A 76 -15.138 15.305 -9.112 1.00 13.31 H new ATOM 0 HG1 THR A 76 -15.872 16.985 -7.627 1.00 11.31 H new ATOM 0 HG21 THR A 76 -16.853 14.892 -7.346 1.00 25.30 H new ATOM 0 HG22 THR A 76 -15.856 13.454 -7.669 1.00 25.30 H new ATOM 0 HG23 THR A 76 -15.554 14.440 -6.218 1.00 25.30 H new ATOM 1228 N PRO A 77 -12.458 15.587 -5.766 1.00 2.32 N ATOM 1229 CA PRO A 77 -12.048 15.480 -4.331 1.00 25.05 C ATOM 1230 C PRO A 77 -13.148 14.891 -3.440 1.00 1.30 C ATOM 1231 O PRO A 77 -12.845 14.235 -2.446 1.00 3.40 O ATOM 1232 CB PRO A 77 -11.720 16.953 -3.929 1.00 0.43 C ATOM 1233 CG PRO A 77 -12.365 17.790 -4.991 1.00 31.34 C ATOM 1234 CD PRO A 77 -12.229 16.976 -6.255 1.00 31.52 C ATOM 0 HA PRO A 77 -11.206 14.800 -4.201 1.00 25.05 H new ATOM 0 HB2 PRO A 77 -12.116 17.192 -2.942 1.00 0.43 H new ATOM 0 HB3 PRO A 77 -10.644 17.123 -3.890 1.00 0.43 H new ATOM 0 HG2 PRO A 77 -13.411 17.988 -4.758 1.00 31.34 H new ATOM 0 HG3 PRO A 77 -11.871 18.757 -5.088 1.00 31.34 H new ATOM 0 HD2 PRO A 77 -12.962 17.268 -7.007 1.00 31.52 H new ATOM 0 HD3 PRO A 77 -11.244 17.090 -6.708 1.00 31.52 H new ATOM 1242 N GLU A 78 -14.420 15.123 -3.833 1.00 22.43 N ATOM 1243 CA GLU A 78 -15.595 14.615 -3.114 1.00 22.02 C ATOM 1244 C GLU A 78 -15.654 13.075 -3.170 1.00 14.10 C ATOM 1245 O GLU A 78 -16.000 12.434 -2.180 1.00 53.03 O ATOM 1246 CB GLU A 78 -16.894 15.243 -3.682 1.00 0.51 C ATOM 1247 CG GLU A 78 -16.953 16.779 -3.570 1.00 41.22 C ATOM 1248 CD GLU A 78 -18.293 17.365 -4.048 1.00 14.40 C ATOM 1249 OE1 GLU A 78 -18.433 17.656 -5.255 1.00 51.13 O ATOM 1250 OE2 GLU A 78 -19.218 17.525 -3.223 1.00 11.15 O ATOM 0 H GLU A 78 -14.654 15.670 -4.661 1.00 22.43 H new ATOM 0 HA GLU A 78 -15.506 14.905 -2.067 1.00 22.02 H new ATOM 0 HB2 GLU A 78 -16.992 14.962 -4.731 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -17.750 14.818 -3.157 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -16.785 17.069 -2.533 1.00 41.22 H new ATOM 0 HG3 GLU A 78 -16.143 17.212 -4.157 1.00 41.22 H new ATOM 1257 N GLU A 79 -15.300 12.487 -4.331 1.00 71.11 N ATOM 1258 CA GLU A 79 -15.234 11.014 -4.499 1.00 43.43 C ATOM 1259 C GLU A 79 -14.175 10.422 -3.565 1.00 72.51 C ATOM 1260 O GLU A 79 -14.464 9.541 -2.748 1.00 2.43 O ATOM 1261 CB GLU A 79 -14.905 10.637 -5.975 1.00 64.02 C ATOM 1262 CG GLU A 79 -16.040 10.911 -6.974 1.00 42.11 C ATOM 1263 CD GLU A 79 -17.248 9.983 -6.792 1.00 3.44 C ATOM 1264 OE1 GLU A 79 -18.104 10.244 -5.921 1.00 42.05 O ATOM 1265 OE2 GLU A 79 -17.352 8.988 -7.532 1.00 31.12 O ATOM 0 H GLU A 79 -15.054 13.009 -5.172 1.00 71.11 H new ATOM 0 HA GLU A 79 -16.210 10.600 -4.245 1.00 43.43 H new ATOM 0 HB2 GLU A 79 -14.021 11.191 -6.289 1.00 64.02 H new ATOM 0 HB3 GLU A 79 -14.649 9.578 -6.017 1.00 64.02 H new ATOM 0 HG2 GLU A 79 -16.366 11.945 -6.867 1.00 42.11 H new ATOM 0 HG3 GLU A 79 -15.656 10.801 -7.988 1.00 42.11 H new ATOM 1272 N ILE A 80 -12.974 10.994 -3.677 1.00 71.41 N ATOM 1273 CA ILE A 80 -11.766 10.557 -2.970 1.00 74.41 C ATOM 1274 C ILE A 80 -11.969 10.567 -1.434 1.00 61.12 C ATOM 1275 O ILE A 80 -11.786 9.536 -0.771 1.00 23.30 O ATOM 1276 CB ILE A 80 -10.566 11.481 -3.390 1.00 43.14 C ATOM 1277 CG1 ILE A 80 -10.413 11.510 -4.952 1.00 42.41 C ATOM 1278 CG2 ILE A 80 -9.255 11.033 -2.712 1.00 4.03 C ATOM 1279 CD1 ILE A 80 -9.391 12.502 -5.470 1.00 14.14 C ATOM 0 H ILE A 80 -12.809 11.799 -4.281 1.00 71.41 H new ATOM 0 HA ILE A 80 -11.545 9.527 -3.249 1.00 74.41 H new ATOM 0 HB ILE A 80 -10.783 12.494 -3.050 1.00 43.14 H new ATOM 0 HG12 ILE A 80 -10.138 10.513 -5.295 1.00 42.41 H new ATOM 0 HG13 ILE A 80 -11.382 11.743 -5.394 1.00 42.41 H new ATOM 0 HG21 ILE A 80 -8.442 11.690 -3.021 1.00 4.03 H new ATOM 0 HG22 ILE A 80 -9.370 11.083 -1.629 1.00 4.03 H new ATOM 0 HG23 ILE A 80 -9.025 10.009 -3.006 1.00 4.03 H new ATOM 0 HD11 ILE A 80 -9.354 12.452 -6.558 1.00 14.14 H new ATOM 0 HD12 ILE A 80 -9.673 13.509 -5.163 1.00 14.14 H new ATOM 0 HD13 ILE A 80 -8.410 12.260 -5.062 1.00 14.14 H new ATOM 1291 N LYS A 81 -12.426 11.724 -0.902 1.00 42.12 N ATOM 1292 CA LYS A 81 -12.608 11.936 0.556 1.00 61.31 C ATOM 1293 C LYS A 81 -13.758 11.075 1.131 1.00 10.45 C ATOM 1294 O LYS A 81 -13.807 10.823 2.343 1.00 63.43 O ATOM 1295 CB LYS A 81 -12.854 13.438 0.868 1.00 23.42 C ATOM 1296 CG LYS A 81 -14.221 13.978 0.387 1.00 75.43 C ATOM 1297 CD LYS A 81 -14.317 15.517 0.432 1.00 12.10 C ATOM 1298 CE LYS A 81 -14.160 16.094 1.850 1.00 65.32 C ATOM 1299 NZ LYS A 81 -14.340 17.571 1.866 1.00 35.12 N ATOM 0 H LYS A 81 -12.679 12.535 -1.467 1.00 42.12 H new ATOM 0 HA LYS A 81 -11.685 11.619 1.042 1.00 61.31 H new ATOM 0 HB2 LYS A 81 -12.776 13.590 1.945 1.00 23.42 H new ATOM 0 HB3 LYS A 81 -12.062 14.027 0.405 1.00 23.42 H new ATOM 0 HG2 LYS A 81 -14.399 13.639 -0.633 1.00 75.43 H new ATOM 0 HG3 LYS A 81 -15.011 13.553 1.007 1.00 75.43 H new ATOM 0 HD2 LYS A 81 -13.548 15.941 -0.213 1.00 12.10 H new ATOM 0 HD3 LYS A 81 -15.280 15.826 0.026 1.00 12.10 H new ATOM 0 HE2 LYS A 81 -14.890 15.631 2.514 1.00 65.32 H new ATOM 0 HE3 LYS A 81 -13.173 15.843 2.238 1.00 65.32 H new ATOM 0 HZ1 LYS A 81 -14.227 17.924 2.838 1.00 35.12 H new ATOM 0 HZ2 LYS A 81 -13.627 18.014 1.252 1.00 35.12 H new ATOM 0 HZ3 LYS A 81 -15.291 17.809 1.520 1.00 35.12 H new ATOM 1313 N SER A 82 -14.671 10.630 0.242 1.00 62.41 N ATOM 1314 CA SER A 82 -15.835 9.807 0.617 1.00 61.34 C ATOM 1315 C SER A 82 -15.416 8.364 0.948 1.00 33.44 C ATOM 1316 O SER A 82 -16.080 7.682 1.735 1.00 53.01 O ATOM 1317 CB SER A 82 -16.898 9.831 -0.505 1.00 25.22 C ATOM 1318 OG SER A 82 -18.109 9.229 -0.087 1.00 24.32 O ATOM 0 H SER A 82 -14.620 10.833 -0.756 1.00 62.41 H new ATOM 0 HA SER A 82 -16.275 10.235 1.517 1.00 61.34 H new ATOM 0 HB2 SER A 82 -17.088 10.861 -0.805 1.00 25.22 H new ATOM 0 HB3 SER A 82 -16.515 9.309 -1.382 1.00 25.22 H new ATOM 0 HG SER A 82 -18.315 9.511 0.829 1.00 24.32 H new ATOM 1324 N PHE A 83 -14.304 7.907 0.347 1.00 71.54 N ATOM 1325 CA PHE A 83 -13.733 6.576 0.641 1.00 14.34 C ATOM 1326 C PHE A 83 -12.968 6.570 1.980 1.00 11.11 C ATOM 1327 O PHE A 83 -12.608 5.502 2.465 1.00 34.11 O ATOM 1328 CB PHE A 83 -12.808 6.098 -0.496 1.00 61.33 C ATOM 1329 CG PHE A 83 -13.500 5.920 -1.843 1.00 42.03 C ATOM 1330 CD1 PHE A 83 -14.448 4.912 -2.033 1.00 72.12 C ATOM 1331 CD2 PHE A 83 -13.208 6.757 -2.915 1.00 51.55 C ATOM 1332 CE1 PHE A 83 -15.076 4.754 -3.255 1.00 74.25 C ATOM 1333 CE2 PHE A 83 -13.836 6.599 -4.130 1.00 32.12 C ATOM 1334 CZ PHE A 83 -14.769 5.601 -4.302 1.00 51.05 C ATOM 0 H PHE A 83 -13.780 8.439 -0.347 1.00 71.54 H new ATOM 0 HA PHE A 83 -14.571 5.883 0.721 1.00 14.34 H new ATOM 0 HB2 PHE A 83 -11.995 6.815 -0.612 1.00 61.33 H new ATOM 0 HB3 PHE A 83 -12.357 5.149 -0.206 1.00 61.33 H new ATOM 0 HD1 PHE A 83 -14.693 4.249 -1.217 1.00 72.12 H new ATOM 0 HD2 PHE A 83 -12.477 7.543 -2.792 1.00 51.55 H new ATOM 0 HE1 PHE A 83 -15.806 3.969 -3.390 1.00 74.25 H new ATOM 0 HE2 PHE A 83 -13.596 7.259 -4.950 1.00 32.12 H new ATOM 0 HZ PHE A 83 -15.261 5.480 -5.256 1.00 51.05 H new ATOM 1344 N PHE A 84 -12.705 7.760 2.550 1.00 32.12 N ATOM 1345 CA PHE A 84 -12.119 7.895 3.908 1.00 12.22 C ATOM 1346 C PHE A 84 -13.197 7.757 4.999 1.00 13.40 C ATOM 1347 O PHE A 84 -12.873 7.598 6.180 1.00 50.51 O ATOM 1348 CB PHE A 84 -11.375 9.250 4.067 1.00 30.32 C ATOM 1349 CG PHE A 84 -10.098 9.366 3.238 1.00 51.04 C ATOM 1350 CD1 PHE A 84 -10.140 9.772 1.911 1.00 60.41 C ATOM 1351 CD2 PHE A 84 -8.856 9.065 3.791 1.00 43.23 C ATOM 1352 CE1 PHE A 84 -8.989 9.877 1.157 1.00 60.30 C ATOM 1353 CE2 PHE A 84 -7.706 9.167 3.037 1.00 2.13 C ATOM 1354 CZ PHE A 84 -7.771 9.574 1.721 1.00 54.05 C ATOM 0 H PHE A 84 -12.889 8.652 2.091 1.00 32.12 H new ATOM 0 HA PHE A 84 -11.399 7.086 4.029 1.00 12.22 H new ATOM 0 HB2 PHE A 84 -12.051 10.058 3.786 1.00 30.32 H new ATOM 0 HB3 PHE A 84 -11.126 9.393 5.118 1.00 30.32 H new ATOM 0 HD1 PHE A 84 -11.092 10.010 1.460 1.00 60.41 H new ATOM 0 HD2 PHE A 84 -8.793 8.748 4.822 1.00 43.23 H new ATOM 0 HE1 PHE A 84 -9.044 10.196 0.127 1.00 60.30 H new ATOM 0 HE2 PHE A 84 -6.750 8.927 3.479 1.00 2.13 H new ATOM 0 HZ PHE A 84 -6.868 9.655 1.134 1.00 54.05 H new ATOM 1364 N GLU A 85 -14.476 7.829 4.594 1.00 60.13 N ATOM 1365 CA GLU A 85 -15.622 7.745 5.516 1.00 53.13 C ATOM 1366 C GLU A 85 -15.951 6.272 5.844 1.00 70.25 C ATOM 1367 O GLU A 85 -16.132 5.451 4.931 1.00 41.23 O ATOM 1368 CB GLU A 85 -16.865 8.436 4.891 1.00 41.33 C ATOM 1369 CG GLU A 85 -16.673 9.916 4.510 1.00 35.40 C ATOM 1370 CD GLU A 85 -17.969 10.545 3.967 1.00 1.51 C ATOM 1371 OE1 GLU A 85 -18.801 11.008 4.775 1.00 11.14 O ATOM 1372 OE2 GLU A 85 -18.196 10.533 2.740 1.00 30.24 O ATOM 0 H GLU A 85 -14.745 7.947 3.617 1.00 60.13 H new ATOM 0 HA GLU A 85 -15.355 8.257 6.441 1.00 53.13 H new ATOM 0 HB2 GLU A 85 -17.157 7.883 3.998 1.00 41.33 H new ATOM 0 HB3 GLU A 85 -17.693 8.364 5.596 1.00 41.33 H new ATOM 0 HG2 GLU A 85 -16.337 10.475 5.384 1.00 35.40 H new ATOM 0 HG3 GLU A 85 -15.888 9.998 3.758 1.00 35.40 H new ATOM 1379 N ASN A 86 -16.016 5.951 7.150 1.00 44.23 N ATOM 1380 CA ASN A 86 -16.465 4.634 7.642 1.00 11.35 C ATOM 1381 C ASN A 86 -18.011 4.606 7.640 1.00 74.22 C ATOM 1382 O ASN A 86 -18.657 4.946 8.638 1.00 21.13 O ATOM 1383 CB ASN A 86 -15.885 4.364 9.069 1.00 51.34 C ATOM 1384 CG ASN A 86 -16.286 3.000 9.654 1.00 4.02 C ATOM 1385 OD1 ASN A 86 -15.479 1.979 9.417 1.00 23.31 O flip ATOM 1386 ND2 ASN A 86 -17.308 2.867 10.329 1.00 44.14 N flip ATOM 0 H ASN A 86 -15.758 6.598 7.895 1.00 44.23 H new ATOM 0 HA ASN A 86 -16.098 3.842 6.989 1.00 11.35 H new ATOM 0 HB2 ASN A 86 -14.798 4.425 9.027 1.00 51.34 H new ATOM 0 HB3 ASN A 86 -16.222 5.151 9.743 1.00 51.34 H new ATOM 0 HD21 ASN A 86 -17.915 3.669 10.498 1.00 44.14 H new ATOM 0 HD22 ASN A 86 -17.547 1.955 10.718 1.00 44.14 H new ATOM 1393 N LYS A 87 -18.594 4.286 6.470 1.00 34.43 N ATOM 1394 CA LYS A 87 -20.059 4.220 6.275 1.00 14.43 C ATOM 1395 C LYS A 87 -20.400 2.933 5.520 1.00 64.24 C ATOM 1396 O LYS A 87 -19.866 2.685 4.425 1.00 14.22 O ATOM 1397 CB LYS A 87 -20.573 5.451 5.471 1.00 33.21 C ATOM 1398 CG LYS A 87 -20.293 6.826 6.125 1.00 41.41 C ATOM 1399 CD LYS A 87 -20.869 8.009 5.310 1.00 42.34 C ATOM 1400 CE LYS A 87 -20.433 7.987 3.833 1.00 64.25 C ATOM 1401 NZ LYS A 87 -20.866 9.208 3.100 1.00 1.22 N ATOM 0 H LYS A 87 -18.062 4.065 5.628 1.00 34.43 H new ATOM 0 HA LYS A 87 -20.545 4.227 7.251 1.00 14.43 H new ATOM 0 HB2 LYS A 87 -20.115 5.436 4.482 1.00 33.21 H new ATOM 0 HB3 LYS A 87 -21.648 5.347 5.326 1.00 33.21 H new ATOM 0 HG2 LYS A 87 -20.721 6.840 7.128 1.00 41.41 H new ATOM 0 HG3 LYS A 87 -19.217 6.958 6.236 1.00 41.41 H new ATOM 0 HD2 LYS A 87 -21.957 7.984 5.363 1.00 42.34 H new ATOM 0 HD3 LYS A 87 -20.549 8.947 5.764 1.00 42.34 H new ATOM 0 HE2 LYS A 87 -19.348 7.898 3.778 1.00 64.25 H new ATOM 0 HE3 LYS A 87 -20.851 7.106 3.346 1.00 64.25 H new ATOM 0 HZ1 LYS A 87 -21.527 8.942 2.342 1.00 1.22 H new ATOM 0 HZ2 LYS A 87 -21.339 9.859 3.759 1.00 1.22 H new ATOM 0 HZ3 LYS A 87 -20.035 9.677 2.686 1.00 1.22 H new ATOM 1415 N GLY A 88 -21.295 2.123 6.108 1.00 15.15 N ATOM 1416 CA GLY A 88 -21.683 0.826 5.555 1.00 24.02 C ATOM 1417 C GLY A 88 -20.689 -0.267 5.912 1.00 74.01 C ATOM 1418 O GLY A 88 -21.055 -1.305 6.467 1.00 2.44 O ATOM 0 H GLY A 88 -21.768 2.354 6.982 1.00 15.15 H new ATOM 0 HA2 GLY A 88 -22.670 0.554 5.928 1.00 24.02 H new ATOM 0 HA3 GLY A 88 -21.762 0.904 4.471 1.00 24.02 H new ATOM 1422 N LYS A 89 -19.423 -0.014 5.568 1.00 0.34 N ATOM 1423 CA LYS A 89 -18.276 -0.841 5.941 1.00 55.04 C ATOM 1424 C LYS A 89 -17.061 0.087 6.201 1.00 10.40 C ATOM 1425 O LYS A 89 -17.213 1.321 6.237 1.00 64.33 O ATOM 1426 CB LYS A 89 -18.039 -1.955 4.856 1.00 14.42 C ATOM 1427 CG LYS A 89 -18.015 -1.495 3.366 1.00 63.41 C ATOM 1428 CD LYS A 89 -16.671 -0.882 2.910 1.00 71.30 C ATOM 1429 CE LYS A 89 -15.496 -1.874 2.995 1.00 64.13 C ATOM 1430 NZ LYS A 89 -14.198 -1.229 2.674 1.00 24.54 N ATOM 0 H LYS A 89 -19.162 0.796 5.006 1.00 0.34 H new ATOM 0 HA LYS A 89 -18.455 -1.385 6.869 1.00 55.04 H new ATOM 0 HB2 LYS A 89 -17.091 -2.445 5.075 1.00 14.42 H new ATOM 0 HB3 LYS A 89 -18.820 -2.707 4.966 1.00 14.42 H new ATOM 0 HG2 LYS A 89 -18.245 -2.350 2.730 1.00 63.41 H new ATOM 0 HG3 LYS A 89 -18.806 -0.761 3.212 1.00 63.41 H new ATOM 0 HD2 LYS A 89 -16.769 -0.530 1.883 1.00 71.30 H new ATOM 0 HD3 LYS A 89 -16.448 -0.010 3.525 1.00 71.30 H new ATOM 0 HE2 LYS A 89 -15.452 -2.298 3.998 1.00 64.13 H new ATOM 0 HE3 LYS A 89 -15.670 -2.701 2.307 1.00 64.13 H new ATOM 0 HZ1 LYS A 89 -13.460 -1.600 3.306 1.00 24.54 H new ATOM 0 HZ2 LYS A 89 -13.943 -1.434 1.687 1.00 24.54 H new ATOM 0 HZ3 LYS A 89 -14.280 -0.200 2.803 1.00 24.54 H new ATOM 1444 N ARG A 90 -15.878 -0.513 6.413 1.00 43.11 N ATOM 1445 CA ARG A 90 -14.614 0.217 6.709 1.00 33.35 C ATOM 1446 C ARG A 90 -14.193 1.155 5.542 1.00 22.24 C ATOM 1447 O ARG A 90 -14.632 0.949 4.416 1.00 30.31 O ATOM 1448 CB ARG A 90 -13.504 -0.825 7.030 1.00 3.11 C ATOM 1449 CG ARG A 90 -13.800 -1.649 8.302 1.00 12.42 C ATOM 1450 CD ARG A 90 -12.772 -2.757 8.575 1.00 50.42 C ATOM 1451 NE ARG A 90 -13.034 -3.435 9.862 1.00 41.24 N ATOM 1452 CZ ARG A 90 -12.629 -4.674 10.185 1.00 2.43 C ATOM 1453 NH1 ARG A 90 -11.915 -5.409 9.330 1.00 35.45 N ATOM 1454 NH2 ARG A 90 -12.923 -5.165 11.382 1.00 54.00 N ATOM 0 H ARG A 90 -15.761 -1.526 6.386 1.00 43.11 H new ATOM 0 HA ARG A 90 -14.771 0.864 7.572 1.00 33.35 H new ATOM 0 HB2 ARG A 90 -13.393 -1.502 6.183 1.00 3.11 H new ATOM 0 HB3 ARG A 90 -12.552 -0.308 7.152 1.00 3.11 H new ATOM 0 HG2 ARG A 90 -13.833 -0.977 9.160 1.00 12.42 H new ATOM 0 HG3 ARG A 90 -14.789 -2.098 8.211 1.00 12.42 H new ATOM 0 HD2 ARG A 90 -12.799 -3.487 7.766 1.00 50.42 H new ATOM 0 HD3 ARG A 90 -11.769 -2.330 8.585 1.00 50.42 H new ATOM 0 HE ARG A 90 -13.566 -2.919 10.563 1.00 41.24 H new ATOM 0 HH11 ARG A 90 -11.669 -5.031 8.415 1.00 35.45 H new ATOM 0 HH12 ARG A 90 -11.615 -6.348 9.592 1.00 35.45 H new ATOM 0 HH21 ARG A 90 -13.452 -4.602 12.048 1.00 54.00 H new ATOM 0 HH22 ARG A 90 -12.620 -6.105 11.636 1.00 54.00 H new ATOM 1468 N PRO A 91 -13.375 2.234 5.790 1.00 53.25 N ATOM 1469 CA PRO A 91 -12.886 3.122 4.701 1.00 11.12 C ATOM 1470 C PRO A 91 -12.066 2.346 3.639 1.00 4.21 C ATOM 1471 O PRO A 91 -11.290 1.450 3.985 1.00 15.23 O ATOM 1472 CB PRO A 91 -12.020 4.182 5.444 1.00 0.44 C ATOM 1473 CG PRO A 91 -12.482 4.137 6.869 1.00 25.24 C ATOM 1474 CD PRO A 91 -12.883 2.699 7.118 1.00 62.14 C ATOM 0 HA PRO A 91 -13.702 3.572 4.136 1.00 11.12 H new ATOM 0 HB2 PRO A 91 -10.958 3.948 5.367 1.00 0.44 H new ATOM 0 HB3 PRO A 91 -12.159 5.175 5.016 1.00 0.44 H new ATOM 0 HG2 PRO A 91 -11.688 4.447 7.549 1.00 25.24 H new ATOM 0 HG3 PRO A 91 -13.322 4.812 7.031 1.00 25.24 H new ATOM 0 HD2 PRO A 91 -12.039 2.102 7.464 1.00 62.14 H new ATOM 0 HD3 PRO A 91 -13.659 2.626 7.880 1.00 62.14 H new ATOM 1482 N VAL A 92 -12.295 2.672 2.352 1.00 14.25 N ATOM 1483 CA VAL A 92 -11.528 2.106 1.225 1.00 54.41 C ATOM 1484 C VAL A 92 -10.178 2.843 1.127 1.00 24.33 C ATOM 1485 O VAL A 92 -9.121 2.228 1.132 1.00 25.25 O ATOM 1486 CB VAL A 92 -12.332 2.214 -0.130 1.00 13.32 C ATOM 1487 CG1 VAL A 92 -11.530 1.634 -1.324 1.00 65.41 C ATOM 1488 CG2 VAL A 92 -13.725 1.538 0.002 1.00 11.35 C ATOM 0 H VAL A 92 -13.016 3.334 2.065 1.00 14.25 H new ATOM 0 HA VAL A 92 -11.354 1.045 1.405 1.00 54.41 H new ATOM 0 HB VAL A 92 -12.489 3.272 -0.339 1.00 13.32 H new ATOM 0 HG11 VAL A 92 -12.118 1.727 -2.237 1.00 65.41 H new ATOM 0 HG12 VAL A 92 -10.596 2.184 -1.436 1.00 65.41 H new ATOM 0 HG13 VAL A 92 -11.312 0.582 -1.139 1.00 65.41 H new ATOM 0 HG21 VAL A 92 -14.262 1.624 -0.943 1.00 11.35 H new ATOM 0 HG22 VAL A 92 -13.596 0.485 0.252 1.00 11.35 H new ATOM 0 HG23 VAL A 92 -14.295 2.030 0.790 1.00 11.35 H new ATOM 1498 N PHE A 93 -10.241 4.176 1.054 1.00 3.33 N ATOM 1499 CA PHE A 93 -9.055 5.044 1.143 1.00 34.31 C ATOM 1500 C PHE A 93 -8.840 5.386 2.623 1.00 70.13 C ATOM 1501 O PHE A 93 -9.668 6.055 3.225 1.00 34.50 O ATOM 1502 CB PHE A 93 -9.243 6.345 0.305 1.00 4.55 C ATOM 1503 CG PHE A 93 -9.327 6.188 -1.227 1.00 43.14 C ATOM 1504 CD1 PHE A 93 -9.383 4.937 -1.858 1.00 72.04 C ATOM 1505 CD2 PHE A 93 -9.350 7.323 -2.040 1.00 12.33 C ATOM 1506 CE1 PHE A 93 -9.453 4.835 -3.237 1.00 21.51 C ATOM 1507 CE2 PHE A 93 -9.420 7.215 -3.419 1.00 53.43 C ATOM 1508 CZ PHE A 93 -9.471 5.973 -4.016 1.00 41.44 C ATOM 0 H PHE A 93 -11.115 4.687 0.931 1.00 3.33 H new ATOM 0 HA PHE A 93 -8.186 4.526 0.737 1.00 34.31 H new ATOM 0 HB2 PHE A 93 -10.154 6.838 0.645 1.00 4.55 H new ATOM 0 HB3 PHE A 93 -8.414 7.016 0.531 1.00 4.55 H new ATOM 0 HD1 PHE A 93 -9.371 4.039 -1.259 1.00 72.04 H new ATOM 0 HD2 PHE A 93 -9.313 8.302 -1.586 1.00 12.33 H new ATOM 0 HE1 PHE A 93 -9.494 3.862 -3.704 1.00 21.51 H new ATOM 0 HE2 PHE A 93 -9.435 8.106 -4.029 1.00 53.43 H new ATOM 0 HZ PHE A 93 -9.525 5.892 -5.092 1.00 41.44 H new ATOM 1518 N VAL A 94 -7.759 4.877 3.214 1.00 44.12 N ATOM 1519 CA VAL A 94 -7.450 5.059 4.647 1.00 31.31 C ATOM 1520 C VAL A 94 -6.175 5.907 4.804 1.00 21.21 C ATOM 1521 O VAL A 94 -5.298 5.857 3.941 1.00 45.33 O ATOM 1522 CB VAL A 94 -7.255 3.659 5.343 1.00 71.21 C ATOM 1523 CG1 VAL A 94 -6.914 3.805 6.835 1.00 64.11 C ATOM 1524 CG2 VAL A 94 -8.497 2.763 5.149 1.00 62.02 C ATOM 0 H VAL A 94 -7.064 4.322 2.715 1.00 44.12 H new ATOM 0 HA VAL A 94 -8.283 5.575 5.125 1.00 31.31 H new ATOM 0 HB VAL A 94 -6.407 3.175 4.859 1.00 71.21 H new ATOM 0 HG11 VAL A 94 -6.788 2.817 7.278 1.00 64.11 H new ATOM 0 HG12 VAL A 94 -5.989 4.372 6.943 1.00 64.11 H new ATOM 0 HG13 VAL A 94 -7.723 4.330 7.343 1.00 64.11 H new ATOM 0 HG21 VAL A 94 -8.334 1.804 5.640 1.00 62.02 H new ATOM 0 HG22 VAL A 94 -9.369 3.250 5.586 1.00 62.02 H new ATOM 0 HG23 VAL A 94 -8.667 2.602 4.084 1.00 62.02 H new ATOM 1534 N LYS A 95 -6.088 6.687 5.903 1.00 63.45 N ATOM 1535 CA LYS A 95 -4.877 7.448 6.269 1.00 72.21 C ATOM 1536 C LYS A 95 -4.709 7.506 7.791 1.00 34.40 C ATOM 1537 O LYS A 95 -5.655 7.252 8.541 1.00 42.04 O ATOM 1538 CB LYS A 95 -4.928 8.886 5.708 1.00 21.43 C ATOM 1539 CG LYS A 95 -6.047 9.790 6.286 1.00 75.12 C ATOM 1540 CD LYS A 95 -5.943 11.251 5.783 1.00 14.03 C ATOM 1541 CE LYS A 95 -4.675 11.969 6.281 1.00 53.24 C ATOM 1542 NZ LYS A 95 -4.517 13.310 5.656 1.00 43.33 N ATOM 0 H LYS A 95 -6.858 6.806 6.562 1.00 63.45 H new ATOM 0 HA LYS A 95 -4.025 6.928 5.831 1.00 72.21 H new ATOM 0 HB2 LYS A 95 -3.966 9.364 5.895 1.00 21.43 H new ATOM 0 HB3 LYS A 95 -5.052 8.831 4.626 1.00 21.43 H new ATOM 0 HG2 LYS A 95 -7.019 9.382 6.010 1.00 75.12 H new ATOM 0 HG3 LYS A 95 -5.994 9.779 7.375 1.00 75.12 H new ATOM 0 HD2 LYS A 95 -5.952 11.256 4.693 1.00 14.03 H new ATOM 0 HD3 LYS A 95 -6.821 11.806 6.112 1.00 14.03 H new ATOM 0 HE2 LYS A 95 -4.720 12.076 7.365 1.00 53.24 H new ATOM 0 HE3 LYS A 95 -3.800 11.358 6.057 1.00 53.24 H new ATOM 0 HZ1 LYS A 95 -3.839 13.873 6.208 1.00 43.33 H new ATOM 0 HZ2 LYS A 95 -4.165 13.200 4.684 1.00 43.33 H new ATOM 0 HZ3 LYS A 95 -5.437 13.795 5.639 1.00 43.33 H new ATOM 1556 N GLY A 96 -3.495 7.863 8.221 1.00 61.42 N ATOM 1557 CA GLY A 96 -3.169 8.075 9.631 1.00 23.33 C ATOM 1558 C GLY A 96 -1.737 7.669 9.912 1.00 52.24 C ATOM 1559 O GLY A 96 -0.898 7.699 9.011 1.00 70.14 O ATOM 0 H GLY A 96 -2.705 8.014 7.593 1.00 61.42 H new ATOM 0 HA2 GLY A 96 -3.313 9.124 9.890 1.00 23.33 H new ATOM 0 HA3 GLY A 96 -3.847 7.496 10.258 1.00 23.33 H new ATOM 1563 N SER A 97 -1.452 7.287 11.161 1.00 3.20 N ATOM 1564 CA SER A 97 -0.185 6.628 11.527 1.00 32.13 C ATOM 1565 C SER A 97 -0.198 5.175 10.991 1.00 31.40 C ATOM 1566 O SER A 97 -1.204 4.745 10.418 1.00 64.41 O ATOM 1567 CB SER A 97 -0.012 6.673 13.067 1.00 11.14 C ATOM 1568 OG SER A 97 1.273 6.232 13.460 1.00 1.33 O ATOM 0 H SER A 97 -2.087 7.423 11.947 1.00 3.20 H new ATOM 0 HA SER A 97 0.663 7.146 11.080 1.00 32.13 H new ATOM 0 HB2 SER A 97 -0.172 7.691 13.422 1.00 11.14 H new ATOM 0 HB3 SER A 97 -0.771 6.048 13.537 1.00 11.14 H new ATOM 0 HG SER A 97 1.349 6.275 14.436 1.00 1.33 H new ATOM 1574 N LEU A 98 0.902 4.416 11.177 1.00 53.51 N ATOM 1575 CA LEU A 98 0.997 3.027 10.660 1.00 33.02 C ATOM 1576 C LEU A 98 -0.082 2.126 11.300 1.00 2.01 C ATOM 1577 O LEU A 98 -0.869 1.475 10.596 1.00 14.11 O ATOM 1578 CB LEU A 98 2.412 2.428 10.907 1.00 35.24 C ATOM 1579 CG LEU A 98 2.616 0.948 10.427 1.00 23.32 C ATOM 1580 CD1 LEU A 98 2.358 0.801 8.909 1.00 72.11 C ATOM 1581 CD2 LEU A 98 4.011 0.403 10.817 1.00 22.02 C ATOM 0 H LEU A 98 1.732 4.734 11.676 1.00 53.51 H new ATOM 0 HA LEU A 98 0.826 3.065 9.584 1.00 33.02 H new ATOM 0 HB2 LEU A 98 3.146 3.058 10.405 1.00 35.24 H new ATOM 0 HB3 LEU A 98 2.626 2.477 11.975 1.00 35.24 H new ATOM 0 HG LEU A 98 1.875 0.340 10.946 1.00 23.32 H new ATOM 0 HD11 LEU A 98 2.509 -0.237 8.613 1.00 72.11 H new ATOM 0 HD12 LEU A 98 1.334 1.097 8.684 1.00 72.11 H new ATOM 0 HD13 LEU A 98 3.050 1.439 8.359 1.00 72.11 H new ATOM 0 HD21 LEU A 98 4.111 -0.624 10.466 1.00 22.02 H new ATOM 0 HD22 LEU A 98 4.784 1.020 10.359 1.00 22.02 H new ATOM 0 HD23 LEU A 98 4.122 0.429 11.901 1.00 22.02 H new ATOM 1593 N GLU A 99 -0.121 2.149 12.644 1.00 64.21 N ATOM 1594 CA GLU A 99 -1.073 1.360 13.444 1.00 31.05 C ATOM 1595 C GLU A 99 -2.500 1.906 13.290 1.00 74.11 C ATOM 1596 O GLU A 99 -3.443 1.137 13.171 1.00 43.11 O ATOM 1597 CB GLU A 99 -0.647 1.348 14.932 1.00 51.21 C ATOM 1598 CG GLU A 99 0.762 0.777 15.154 1.00 32.34 C ATOM 1599 CD GLU A 99 1.121 0.636 16.633 1.00 5.23 C ATOM 1600 OE1 GLU A 99 0.785 -0.406 17.232 1.00 55.14 O ATOM 1601 OE2 GLU A 99 1.735 1.560 17.215 1.00 1.33 O ATOM 0 H GLU A 99 0.510 2.718 13.208 1.00 64.21 H new ATOM 0 HA GLU A 99 -1.064 0.334 13.075 1.00 31.05 H new ATOM 0 HB2 GLU A 99 -0.685 2.365 15.322 1.00 51.21 H new ATOM 0 HB3 GLU A 99 -1.365 0.760 15.504 1.00 51.21 H new ATOM 0 HG2 GLU A 99 0.833 -0.199 14.674 1.00 32.34 H new ATOM 0 HG3 GLU A 99 1.492 1.425 14.668 1.00 32.34 H new ATOM 1608 N SER A 100 -2.630 3.250 13.251 1.00 71.22 N ATOM 1609 CA SER A 100 -3.932 3.940 13.107 1.00 52.35 C ATOM 1610 C SER A 100 -4.647 3.541 11.806 1.00 74.41 C ATOM 1611 O SER A 100 -5.828 3.163 11.812 1.00 33.32 O ATOM 1612 CB SER A 100 -3.724 5.465 13.148 1.00 75.05 C ATOM 1613 OG SER A 100 -3.069 5.842 14.345 1.00 74.41 O ATOM 0 H SER A 100 -1.836 3.887 13.318 1.00 71.22 H new ATOM 0 HA SER A 100 -4.565 3.635 13.940 1.00 52.35 H new ATOM 0 HB2 SER A 100 -3.134 5.781 12.288 1.00 75.05 H new ATOM 0 HB3 SER A 100 -4.687 5.972 13.078 1.00 75.05 H new ATOM 0 HG SER A 100 -2.942 6.814 14.356 1.00 74.41 H new ATOM 1619 N ALA A 101 -3.892 3.606 10.700 1.00 64.54 N ATOM 1620 CA ALA A 101 -4.379 3.265 9.357 1.00 73.44 C ATOM 1621 C ALA A 101 -4.693 1.760 9.247 1.00 53.31 C ATOM 1622 O ALA A 101 -5.538 1.350 8.448 1.00 31.41 O ATOM 1623 CB ALA A 101 -3.355 3.705 8.293 1.00 2.05 C ATOM 0 H ALA A 101 -2.915 3.900 10.714 1.00 64.54 H new ATOM 0 HA ALA A 101 -5.310 3.804 9.178 1.00 73.44 H new ATOM 0 HB1 ALA A 101 -3.727 3.447 7.301 1.00 2.05 H new ATOM 0 HB2 ALA A 101 -3.206 4.783 8.355 1.00 2.05 H new ATOM 0 HB3 ALA A 101 -2.407 3.197 8.468 1.00 2.05 H new ATOM 1629 N ALA A 102 -4.011 0.950 10.078 1.00 52.24 N ATOM 1630 CA ALA A 102 -4.247 -0.497 10.177 1.00 35.44 C ATOM 1631 C ALA A 102 -5.616 -0.785 10.815 1.00 32.24 C ATOM 1632 O ALA A 102 -6.346 -1.672 10.371 1.00 11.52 O ATOM 1633 CB ALA A 102 -3.139 -1.142 11.009 1.00 34.05 C ATOM 0 H ALA A 102 -3.277 1.286 10.702 1.00 52.24 H new ATOM 0 HA ALA A 102 -4.242 -0.920 9.172 1.00 35.44 H new ATOM 0 HB1 ALA A 102 -3.316 -2.215 11.081 1.00 34.05 H new ATOM 0 HB2 ALA A 102 -2.175 -0.964 10.532 1.00 34.05 H new ATOM 0 HB3 ALA A 102 -3.134 -0.707 12.008 1.00 34.05 H new ATOM 1639 N GLU A 103 -5.942 0.003 11.856 1.00 65.30 N ATOM 1640 CA GLU A 103 -7.192 -0.134 12.635 1.00 73.42 C ATOM 1641 C GLU A 103 -8.415 0.282 11.808 1.00 31.31 C ATOM 1642 O GLU A 103 -9.462 -0.364 11.863 1.00 43.42 O ATOM 1643 CB GLU A 103 -7.098 0.716 13.927 1.00 64.10 C ATOM 1644 CG GLU A 103 -5.927 0.315 14.833 1.00 20.33 C ATOM 1645 CD GLU A 103 -5.772 1.210 16.069 1.00 45.13 C ATOM 1646 OE1 GLU A 103 -5.177 2.303 15.954 1.00 41.30 O ATOM 1647 OE2 GLU A 103 -6.266 0.839 17.157 1.00 34.20 O ATOM 0 H GLU A 103 -5.342 0.760 12.185 1.00 65.30 H new ATOM 0 HA GLU A 103 -7.317 -1.183 12.902 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -6.995 1.767 13.656 1.00 64.10 H new ATOM 0 HB3 GLU A 103 -8.029 0.621 14.485 1.00 64.10 H new ATOM 0 HG2 GLU A 103 -6.066 -0.716 15.157 1.00 20.33 H new ATOM 0 HG3 GLU A 103 -5.004 0.346 14.254 1.00 20.33 H new ATOM 1654 N GLN A 104 -8.252 1.365 11.033 1.00 24.41 N ATOM 1655 CA GLN A 104 -9.324 1.929 10.191 1.00 73.41 C ATOM 1656 C GLN A 104 -9.600 1.032 8.968 1.00 55.13 C ATOM 1657 O GLN A 104 -10.761 0.796 8.619 1.00 5.52 O ATOM 1658 CB GLN A 104 -8.944 3.363 9.759 1.00 4.13 C ATOM 1659 CG GLN A 104 -8.777 4.340 10.932 1.00 50.22 C ATOM 1660 CD GLN A 104 -8.203 5.689 10.508 1.00 43.40 C ATOM 1661 OE1 GLN A 104 -8.934 6.603 10.123 1.00 44.20 O ATOM 1662 NE2 GLN A 104 -6.890 5.823 10.576 1.00 10.02 N ATOM 0 H GLN A 104 -7.372 1.877 10.971 1.00 24.41 H new ATOM 0 HA GLN A 104 -10.244 1.971 10.773 1.00 73.41 H new ATOM 0 HB2 GLN A 104 -8.013 3.327 9.193 1.00 4.13 H new ATOM 0 HB3 GLN A 104 -9.712 3.745 9.086 1.00 4.13 H new ATOM 0 HG2 GLN A 104 -9.745 4.497 11.408 1.00 50.22 H new ATOM 0 HG3 GLN A 104 -8.123 3.892 11.680 1.00 50.22 H new ATOM 0 HE21 GLN A 104 -6.314 5.046 10.899 1.00 10.02 H new ATOM 0 HE22 GLN A 104 -6.453 6.704 10.305 1.00 10.02 H new ATOM 1671 N ALA A 105 -8.523 0.513 8.350 1.00 73.55 N ATOM 1672 CA ALA A 105 -8.626 -0.442 7.222 1.00 33.14 C ATOM 1673 C ALA A 105 -9.093 -1.826 7.712 1.00 74.20 C ATOM 1674 O ALA A 105 -9.682 -2.599 6.950 1.00 74.20 O ATOM 1675 CB ALA A 105 -7.281 -0.553 6.487 1.00 43.22 C ATOM 0 H ALA A 105 -7.564 0.739 8.612 1.00 73.55 H new ATOM 0 HA ALA A 105 -9.372 -0.063 6.523 1.00 33.14 H new ATOM 0 HB1 ALA A 105 -7.375 -1.259 5.661 1.00 43.22 H new ATOM 0 HB2 ALA A 105 -6.997 0.425 6.098 1.00 43.22 H new ATOM 0 HB3 ALA A 105 -6.516 -0.904 7.179 1.00 43.22 H new ATOM 1681 N GLY A 106 -8.816 -2.116 9.000 1.00 62.02 N ATOM 1682 CA GLY A 106 -9.208 -3.377 9.640 1.00 41.41 C ATOM 1683 C GLY A 106 -8.210 -4.511 9.430 1.00 75.25 C ATOM 1684 O GLY A 106 -8.548 -5.685 9.618 1.00 2.11 O ATOM 0 H GLY A 106 -8.315 -1.480 9.620 1.00 62.02 H new ATOM 0 HA2 GLY A 106 -9.331 -3.208 10.710 1.00 41.41 H new ATOM 0 HA3 GLY A 106 -10.179 -3.684 9.252 1.00 41.41 H new ATOM 1688 N ILE A 107 -6.981 -4.149 9.037 1.00 0.11 N ATOM 1689 CA ILE A 107 -5.874 -5.102 8.813 1.00 44.11 C ATOM 1690 C ILE A 107 -5.225 -5.465 10.170 1.00 12.20 C ATOM 1691 O ILE A 107 -5.231 -4.633 11.089 1.00 42.42 O ATOM 1692 CB ILE A 107 -4.772 -4.467 7.878 1.00 63.43 C ATOM 1693 CG1 ILE A 107 -5.392 -3.730 6.664 1.00 0.31 C ATOM 1694 CG2 ILE A 107 -3.775 -5.532 7.377 1.00 63.54 C ATOM 1695 CD1 ILE A 107 -4.370 -2.976 5.836 1.00 0.23 C ATOM 0 H ILE A 107 -6.720 -3.178 8.863 1.00 0.11 H new ATOM 0 HA ILE A 107 -6.278 -5.994 8.334 1.00 44.11 H new ATOM 0 HB ILE A 107 -4.238 -3.738 8.488 1.00 63.43 H new ATOM 0 HG12 ILE A 107 -5.901 -4.455 6.029 1.00 0.31 H new ATOM 0 HG13 ILE A 107 -6.149 -3.031 7.020 1.00 0.31 H new ATOM 0 HG21 ILE A 107 -3.030 -5.060 6.736 1.00 63.54 H new ATOM 0 HG22 ILE A 107 -3.279 -5.995 8.230 1.00 63.54 H new ATOM 0 HG23 ILE A 107 -4.311 -6.294 6.811 1.00 63.54 H new ATOM 0 HD11 ILE A 107 -4.870 -2.483 5.002 1.00 0.23 H new ATOM 0 HD12 ILE A 107 -3.878 -2.228 6.458 1.00 0.23 H new ATOM 0 HD13 ILE A 107 -3.627 -3.674 5.452 1.00 0.23 H new ATOM 1707 N VAL A 108 -4.660 -6.687 10.292 1.00 50.51 N ATOM 1708 CA VAL A 108 -3.961 -7.111 11.520 1.00 33.24 C ATOM 1709 C VAL A 108 -2.666 -6.282 11.675 1.00 62.51 C ATOM 1710 O VAL A 108 -1.715 -6.419 10.873 1.00 40.43 O ATOM 1711 CB VAL A 108 -3.639 -8.649 11.538 1.00 4.43 C ATOM 1712 CG1 VAL A 108 -3.009 -9.071 12.887 1.00 44.52 C ATOM 1713 CG2 VAL A 108 -4.895 -9.490 11.210 1.00 71.24 C ATOM 0 H VAL A 108 -4.676 -7.393 9.556 1.00 50.51 H new ATOM 0 HA VAL A 108 -4.627 -6.930 12.364 1.00 33.24 H new ATOM 0 HB VAL A 108 -2.904 -8.845 10.757 1.00 4.43 H new ATOM 0 HG11 VAL A 108 -2.797 -10.140 12.871 1.00 44.52 H new ATOM 0 HG12 VAL A 108 -2.082 -8.519 13.044 1.00 44.52 H new ATOM 0 HG13 VAL A 108 -3.704 -8.851 13.698 1.00 44.52 H new ATOM 0 HG21 VAL A 108 -4.639 -10.549 11.230 1.00 71.24 H new ATOM 0 HG22 VAL A 108 -5.670 -9.290 11.949 1.00 71.24 H new ATOM 0 HG23 VAL A 108 -5.262 -9.224 10.219 1.00 71.24 H new ATOM 1723 N VAL A 109 -2.670 -5.418 12.705 1.00 51.33 N ATOM 1724 CA VAL A 109 -1.618 -4.416 12.946 1.00 2.03 C ATOM 1725 C VAL A 109 -0.231 -5.076 13.051 1.00 61.45 C ATOM 1726 O VAL A 109 0.695 -4.679 12.354 1.00 70.21 O ATOM 1727 CB VAL A 109 -1.917 -3.578 14.251 1.00 23.22 C ATOM 1728 CG1 VAL A 109 -0.830 -2.501 14.502 1.00 11.41 C ATOM 1729 CG2 VAL A 109 -3.334 -2.948 14.198 1.00 50.14 C ATOM 0 H VAL A 109 -3.414 -5.396 13.402 1.00 51.33 H new ATOM 0 HA VAL A 109 -1.615 -3.739 12.091 1.00 2.03 H new ATOM 0 HB VAL A 109 -1.889 -4.267 15.095 1.00 23.22 H new ATOM 0 HG11 VAL A 109 -1.071 -1.945 15.408 1.00 11.41 H new ATOM 0 HG12 VAL A 109 0.140 -2.984 14.619 1.00 11.41 H new ATOM 0 HG13 VAL A 109 -0.794 -1.816 13.655 1.00 11.41 H new ATOM 0 HG21 VAL A 109 -3.513 -2.377 15.109 1.00 50.14 H new ATOM 0 HG22 VAL A 109 -3.406 -2.286 13.335 1.00 50.14 H new ATOM 0 HG23 VAL A 109 -4.080 -3.738 14.113 1.00 50.14 H new ATOM 1739 N ASP A 110 -0.144 -6.126 13.886 1.00 43.12 N ATOM 1740 CA ASP A 110 1.106 -6.875 14.153 1.00 5.13 C ATOM 1741 C ASP A 110 1.748 -7.403 12.860 1.00 42.30 C ATOM 1742 O ASP A 110 2.948 -7.229 12.647 1.00 60.51 O ATOM 1743 CB ASP A 110 0.822 -8.044 15.144 1.00 4.22 C ATOM 1744 CG ASP A 110 2.046 -8.950 15.405 1.00 71.31 C ATOM 1745 OD1 ASP A 110 3.031 -8.472 16.013 1.00 12.13 O ATOM 1746 OD2 ASP A 110 2.032 -10.138 15.000 1.00 60.44 O ATOM 0 H ASP A 110 -0.946 -6.486 14.403 1.00 43.12 H new ATOM 0 HA ASP A 110 1.819 -6.186 14.605 1.00 5.13 H new ATOM 0 HB2 ASP A 110 0.480 -7.629 16.092 1.00 4.22 H new ATOM 0 HB3 ASP A 110 0.008 -8.653 14.750 1.00 4.22 H new ATOM 1751 N GLU A 111 0.907 -7.982 11.983 1.00 24.20 N ATOM 1752 CA GLU A 111 1.345 -8.573 10.710 1.00 72.35 C ATOM 1753 C GLU A 111 1.980 -7.507 9.779 1.00 51.45 C ATOM 1754 O GLU A 111 3.057 -7.738 9.215 1.00 0.01 O ATOM 1755 CB GLU A 111 0.153 -9.248 10.003 1.00 5.14 C ATOM 1756 CG GLU A 111 -0.488 -10.441 10.747 1.00 4.01 C ATOM 1757 CD GLU A 111 0.361 -11.722 10.757 1.00 43.53 C ATOM 1758 OE1 GLU A 111 0.515 -12.344 9.678 1.00 44.33 O ATOM 1759 OE2 GLU A 111 0.853 -12.131 11.837 1.00 15.44 O ATOM 0 H GLU A 111 -0.098 -8.052 12.140 1.00 24.20 H new ATOM 0 HA GLU A 111 2.106 -9.322 10.932 1.00 72.35 H new ATOM 0 HB2 GLU A 111 -0.617 -8.495 9.833 1.00 5.14 H new ATOM 0 HB3 GLU A 111 0.484 -9.592 9.023 1.00 5.14 H new ATOM 0 HG2 GLU A 111 -0.687 -10.145 11.777 1.00 4.01 H new ATOM 0 HG3 GLU A 111 -1.451 -10.663 10.288 1.00 4.01 H new ATOM 1766 N LEU A 112 1.310 -6.335 9.617 1.00 53.33 N ATOM 1767 CA LEU A 112 1.836 -5.264 8.727 1.00 52.12 C ATOM 1768 C LEU A 112 2.997 -4.479 9.363 1.00 33.01 C ATOM 1769 O LEU A 112 3.824 -3.928 8.648 1.00 74.50 O ATOM 1770 CB LEU A 112 0.712 -4.312 8.221 1.00 63.52 C ATOM 1771 CG LEU A 112 -0.178 -3.567 9.282 1.00 73.35 C ATOM 1772 CD1 LEU A 112 0.534 -2.385 9.988 1.00 25.23 C ATOM 1773 CD2 LEU A 112 -1.484 -3.083 8.640 1.00 43.13 C ATOM 0 H LEU A 112 0.428 -6.110 10.077 1.00 53.33 H new ATOM 0 HA LEU A 112 2.244 -5.775 7.855 1.00 52.12 H new ATOM 0 HB2 LEU A 112 1.178 -3.555 7.590 1.00 63.52 H new ATOM 0 HB3 LEU A 112 0.048 -4.894 7.582 1.00 63.52 H new ATOM 0 HG LEU A 112 -0.389 -4.302 10.058 1.00 73.35 H new ATOM 0 HD11 LEU A 112 -0.147 -1.925 10.704 1.00 25.23 H new ATOM 0 HD12 LEU A 112 1.417 -2.752 10.512 1.00 25.23 H new ATOM 0 HD13 LEU A 112 0.834 -1.645 9.246 1.00 25.23 H new ATOM 0 HD21 LEU A 112 -2.089 -2.570 9.388 1.00 43.13 H new ATOM 0 HD22 LEU A 112 -1.256 -2.397 7.824 1.00 43.13 H new ATOM 0 HD23 LEU A 112 -2.037 -3.938 8.251 1.00 43.13 H new ATOM 1785 N VAL A 113 3.040 -4.431 10.711 1.00 23.13 N ATOM 1786 CA VAL A 113 4.144 -3.787 11.464 1.00 42.32 C ATOM 1787 C VAL A 113 5.427 -4.572 11.218 1.00 0.15 C ATOM 1788 O VAL A 113 6.500 -3.983 11.040 1.00 32.21 O ATOM 1789 CB VAL A 113 3.864 -3.659 13.023 1.00 34.03 C ATOM 1790 CG1 VAL A 113 5.151 -3.302 13.820 1.00 0.01 C ATOM 1791 CG2 VAL A 113 2.765 -2.601 13.295 1.00 32.11 C ATOM 0 H VAL A 113 2.317 -4.834 11.307 1.00 23.13 H new ATOM 0 HA VAL A 113 4.236 -2.765 11.097 1.00 42.32 H new ATOM 0 HB VAL A 113 3.519 -4.634 13.367 1.00 34.03 H new ATOM 0 HG11 VAL A 113 4.912 -3.225 14.881 1.00 0.01 H new ATOM 0 HG12 VAL A 113 5.899 -4.081 13.672 1.00 0.01 H new ATOM 0 HG13 VAL A 113 5.545 -2.349 13.466 1.00 0.01 H new ATOM 0 HG21 VAL A 113 2.588 -2.528 14.368 1.00 32.11 H new ATOM 0 HG22 VAL A 113 3.090 -1.633 12.914 1.00 32.11 H new ATOM 0 HG23 VAL A 113 1.843 -2.897 12.794 1.00 32.11 H new ATOM 1801 N GLN A 114 5.279 -5.917 11.149 1.00 22.33 N ATOM 1802 CA GLN A 114 6.384 -6.807 10.778 1.00 15.23 C ATOM 1803 C GLN A 114 6.804 -6.481 9.363 1.00 33.24 C ATOM 1804 O GLN A 114 7.918 -6.078 9.137 1.00 11.15 O ATOM 1805 CB GLN A 114 6.011 -8.305 10.903 1.00 50.03 C ATOM 1806 CG GLN A 114 5.707 -8.756 12.344 1.00 71.43 C ATOM 1807 CD GLN A 114 6.834 -8.449 13.343 1.00 73.21 C ATOM 1808 OE1 GLN A 114 7.719 -9.271 13.592 1.00 14.02 O ATOM 1809 NE2 GLN A 114 6.824 -7.250 13.900 1.00 22.54 N ATOM 0 H GLN A 114 4.403 -6.400 11.347 1.00 22.33 H new ATOM 0 HA GLN A 114 7.208 -6.641 11.471 1.00 15.23 H new ATOM 0 HB2 GLN A 114 5.140 -8.505 10.279 1.00 50.03 H new ATOM 0 HB3 GLN A 114 6.830 -8.907 10.510 1.00 50.03 H new ATOM 0 HG2 GLN A 114 4.793 -8.268 12.682 1.00 71.43 H new ATOM 0 HG3 GLN A 114 5.515 -9.829 12.346 1.00 71.43 H new ATOM 0 HE21 GLN A 114 6.080 -6.590 13.676 1.00 22.54 H new ATOM 0 HE22 GLN A 114 7.561 -6.985 14.554 1.00 22.54 H new ATOM 1818 N THR A 115 5.839 -6.562 8.457 1.00 52.04 N ATOM 1819 CA THR A 115 6.024 -6.305 7.030 1.00 74.24 C ATOM 1820 C THR A 115 6.733 -4.955 6.705 1.00 0.23 C ATOM 1821 O THR A 115 7.577 -4.909 5.803 1.00 20.31 O ATOM 1822 CB THR A 115 4.637 -6.421 6.329 1.00 74.35 C ATOM 1823 OG1 THR A 115 4.259 -7.806 6.267 1.00 63.33 O ATOM 1824 CG2 THR A 115 4.608 -5.823 4.934 1.00 61.33 C ATOM 0 H THR A 115 4.880 -6.814 8.697 1.00 52.04 H new ATOM 0 HA THR A 115 6.710 -7.057 6.641 1.00 74.24 H new ATOM 0 HB THR A 115 3.930 -5.844 6.925 1.00 74.35 H new ATOM 0 HG1 THR A 115 3.284 -7.876 6.194 1.00 63.33 H new ATOM 0 HG21 THR A 115 3.611 -5.940 4.508 1.00 61.33 H new ATOM 0 HG22 THR A 115 4.857 -4.763 4.987 1.00 61.33 H new ATOM 0 HG23 THR A 115 5.334 -6.335 4.303 1.00 61.33 H new ATOM 1832 N VAL A 116 6.411 -3.886 7.459 1.00 23.24 N ATOM 1833 CA VAL A 116 7.008 -2.546 7.261 1.00 41.40 C ATOM 1834 C VAL A 116 8.426 -2.478 7.865 1.00 55.11 C ATOM 1835 O VAL A 116 9.309 -1.879 7.265 1.00 72.32 O ATOM 1836 CB VAL A 116 6.073 -1.402 7.833 1.00 23.11 C ATOM 1837 CG1 VAL A 116 6.758 -0.006 7.825 1.00 15.44 C ATOM 1838 CG2 VAL A 116 4.739 -1.357 7.038 1.00 42.32 C ATOM 0 H VAL A 116 5.733 -3.924 8.220 1.00 23.24 H new ATOM 0 HA VAL A 116 7.098 -2.378 6.188 1.00 41.40 H new ATOM 0 HB VAL A 116 5.869 -1.645 8.876 1.00 23.11 H new ATOM 0 HG11 VAL A 116 6.071 0.739 8.228 1.00 15.44 H new ATOM 0 HG12 VAL A 116 7.658 -0.039 8.439 1.00 15.44 H new ATOM 0 HG13 VAL A 116 7.026 0.262 6.803 1.00 15.44 H new ATOM 0 HG21 VAL A 116 4.103 -0.568 7.439 1.00 42.32 H new ATOM 0 HG22 VAL A 116 4.948 -1.156 5.987 1.00 42.32 H new ATOM 0 HG23 VAL A 116 4.228 -2.316 7.130 1.00 42.32 H new ATOM 1848 N LYS A 117 8.664 -3.129 9.027 1.00 24.53 N ATOM 1849 CA LYS A 117 10.011 -3.132 9.658 1.00 21.13 C ATOM 1850 C LYS A 117 10.952 -4.126 8.944 1.00 11.52 C ATOM 1851 O LYS A 117 12.183 -3.990 9.022 1.00 64.53 O ATOM 1852 CB LYS A 117 9.945 -3.461 11.181 1.00 63.20 C ATOM 1853 CG LYS A 117 9.559 -4.920 11.524 1.00 63.21 C ATOM 1854 CD LYS A 117 9.494 -5.225 13.040 1.00 25.42 C ATOM 1855 CE LYS A 117 10.851 -5.072 13.746 1.00 1.44 C ATOM 1856 NZ LYS A 117 10.800 -5.561 15.153 1.00 33.30 N ATOM 0 H LYS A 117 7.956 -3.652 9.542 1.00 24.53 H new ATOM 0 HA LYS A 117 10.411 -2.124 9.552 1.00 21.13 H new ATOM 0 HB2 LYS A 117 10.917 -3.245 11.625 1.00 63.20 H new ATOM 0 HB3 LYS A 117 9.224 -2.791 11.650 1.00 63.20 H new ATOM 0 HG2 LYS A 117 8.588 -5.140 11.080 1.00 63.21 H new ATOM 0 HG3 LYS A 117 10.281 -5.592 11.061 1.00 63.21 H new ATOM 0 HD2 LYS A 117 8.771 -4.557 13.508 1.00 25.42 H new ATOM 0 HD3 LYS A 117 9.129 -6.242 13.184 1.00 25.42 H new ATOM 0 HE2 LYS A 117 11.612 -5.626 13.196 1.00 1.44 H new ATOM 0 HE3 LYS A 117 11.150 -4.024 13.736 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 11.733 -5.441 15.596 1.00 33.30 H new ATOM 0 HZ2 LYS A 117 10.092 -5.016 15.685 1.00 33.30 H new ATOM 0 HZ3 LYS A 117 10.539 -6.568 15.161 1.00 33.30 H new ATOM 1870 N ASN A 118 10.359 -5.129 8.247 1.00 4.34 N ATOM 1871 CA ASN A 118 11.108 -6.044 7.373 1.00 4.34 C ATOM 1872 C ASN A 118 11.559 -5.228 6.174 1.00 61.21 C ATOM 1873 O ASN A 118 12.753 -5.151 5.880 1.00 42.05 O ATOM 1874 CB ASN A 118 10.268 -7.275 6.864 1.00 72.44 C ATOM 1875 CG ASN A 118 9.599 -8.152 7.940 1.00 3.44 C ATOM 1876 OD1 ASN A 118 8.680 -8.917 7.634 1.00 70.43 O ATOM 1877 ND2 ASN A 118 9.985 -8.022 9.203 1.00 44.05 N ATOM 0 H ASN A 118 9.357 -5.318 8.280 1.00 4.34 H new ATOM 0 HA ASN A 118 11.934 -6.463 7.947 1.00 4.34 H new ATOM 0 HB2 ASN A 118 9.490 -6.903 6.197 1.00 72.44 H new ATOM 0 HB3 ASN A 118 10.923 -7.910 6.267 1.00 72.44 H new ATOM 0 HD21 ASN A 118 9.521 -8.558 9.936 1.00 44.05 H new ATOM 0 HD22 ASN A 118 10.746 -7.386 9.441 1.00 44.05 H new ATOM 1884 N TYR A 119 10.556 -4.556 5.553 1.00 61.14 N ATOM 1885 CA TYR A 119 10.730 -3.754 4.341 1.00 25.00 C ATOM 1886 C TYR A 119 11.810 -2.693 4.557 1.00 65.40 C ATOM 1887 O TYR A 119 12.900 -2.806 4.002 1.00 3.13 O ATOM 1888 CB TYR A 119 9.384 -3.111 3.897 1.00 2.13 C ATOM 1889 CG TYR A 119 9.470 -2.333 2.575 1.00 43.44 C ATOM 1890 CD1 TYR A 119 9.481 -3.001 1.346 1.00 22.14 C ATOM 1891 CD2 TYR A 119 9.558 -0.941 2.553 1.00 74.44 C ATOM 1892 CE1 TYR A 119 9.581 -2.313 0.150 1.00 21.32 C ATOM 1893 CE2 TYR A 119 9.651 -0.252 1.364 1.00 60.40 C ATOM 1894 CZ TYR A 119 9.663 -0.937 0.163 1.00 61.22 C ATOM 1895 OH TYR A 119 9.776 -0.242 -1.028 1.00 52.22 O ATOM 0 H TYR A 119 9.595 -4.564 5.895 1.00 61.14 H new ATOM 0 HA TYR A 119 11.057 -4.412 3.536 1.00 25.00 H new ATOM 0 HB2 TYR A 119 8.634 -3.895 3.797 1.00 2.13 H new ATOM 0 HB3 TYR A 119 9.039 -2.438 4.681 1.00 2.13 H new ATOM 0 HD1 TYR A 119 9.410 -4.079 1.330 1.00 22.14 H new ATOM 0 HD2 TYR A 119 9.553 -0.394 3.484 1.00 74.44 H new ATOM 0 HE1 TYR A 119 9.595 -2.850 -0.787 1.00 21.32 H new ATOM 0 HE2 TYR A 119 9.715 0.826 1.370 1.00 60.40 H new ATOM 0 HH TYR A 119 8.939 0.235 -1.209 1.00 52.22 H new ATOM 1905 N GLN A 120 11.524 -1.740 5.455 1.00 11.22 N ATOM 1906 CA GLN A 120 12.416 -0.614 5.763 1.00 20.24 C ATOM 1907 C GLN A 120 13.795 -1.084 6.285 1.00 74.05 C ATOM 1908 O GLN A 120 14.791 -0.374 6.117 1.00 33.40 O ATOM 1909 CB GLN A 120 11.743 0.354 6.777 1.00 31.24 C ATOM 1910 CG GLN A 120 10.414 0.975 6.273 1.00 73.22 C ATOM 1911 CD GLN A 120 9.916 2.166 7.105 1.00 42.31 C ATOM 1912 OE1 GLN A 120 10.132 2.236 8.312 1.00 55.43 O ATOM 1913 NE2 GLN A 120 9.259 3.125 6.453 1.00 50.03 N ATOM 0 H GLN A 120 10.658 -1.729 5.993 1.00 11.22 H new ATOM 0 HA GLN A 120 12.594 -0.079 4.830 1.00 20.24 H new ATOM 0 HB2 GLN A 120 11.551 -0.185 7.705 1.00 31.24 H new ATOM 0 HB3 GLN A 120 12.440 1.158 7.014 1.00 31.24 H new ATOM 0 HG2 GLN A 120 10.547 1.298 5.241 1.00 73.22 H new ATOM 0 HG3 GLN A 120 9.645 0.203 6.269 1.00 73.22 H new ATOM 0 HE21 GLN A 120 9.095 3.039 5.450 1.00 50.03 H new ATOM 0 HE22 GLN A 120 8.921 3.945 6.957 1.00 50.03 H new ATOM 1922 N GLY A 121 13.839 -2.297 6.877 1.00 35.05 N ATOM 1923 CA GLY A 121 15.081 -2.897 7.362 1.00 52.24 C ATOM 1924 C GLY A 121 15.970 -3.408 6.231 1.00 14.41 C ATOM 1925 O GLY A 121 17.182 -3.160 6.230 1.00 33.23 O ATOM 0 H GLY A 121 13.014 -2.878 7.027 1.00 35.05 H new ATOM 0 HA2 GLY A 121 15.632 -2.160 7.947 1.00 52.24 H new ATOM 0 HA3 GLY A 121 14.843 -3.723 8.033 1.00 52.24 H new ATOM 1929 N TYR A 122 15.367 -4.111 5.241 1.00 60.10 N ATOM 1930 CA TYR A 122 16.132 -4.742 4.145 1.00 62.34 C ATOM 1931 C TYR A 122 16.425 -3.759 2.991 1.00 60.04 C ATOM 1932 O TYR A 122 17.300 -4.026 2.154 1.00 62.11 O ATOM 1933 CB TYR A 122 15.487 -6.082 3.653 1.00 64.22 C ATOM 1934 CG TYR A 122 14.083 -6.061 3.009 1.00 41.34 C ATOM 1935 CD1 TYR A 122 13.765 -5.224 1.936 1.00 71.43 C ATOM 1936 CD2 TYR A 122 13.076 -6.920 3.468 1.00 23.12 C ATOM 1937 CE1 TYR A 122 12.509 -5.238 1.369 1.00 13.45 C ATOM 1938 CE2 TYR A 122 11.823 -6.934 2.897 1.00 73.44 C ATOM 1939 CZ TYR A 122 11.546 -6.096 1.854 1.00 64.21 C ATOM 1940 OH TYR A 122 10.291 -6.089 1.309 1.00 53.31 O ATOM 0 H TYR A 122 14.359 -4.253 5.182 1.00 60.10 H new ATOM 0 HA TYR A 122 17.101 -5.015 4.564 1.00 62.34 H new ATOM 0 HB2 TYR A 122 16.171 -6.527 2.930 1.00 64.22 H new ATOM 0 HB3 TYR A 122 15.444 -6.756 4.508 1.00 64.22 H new ATOM 0 HD1 TYR A 122 14.517 -4.555 1.544 1.00 71.43 H new ATOM 0 HD2 TYR A 122 13.288 -7.588 4.290 1.00 23.12 H new ATOM 0 HE1 TYR A 122 12.280 -4.578 0.546 1.00 13.45 H new ATOM 0 HE2 TYR A 122 11.063 -7.604 3.272 1.00 73.44 H new ATOM 0 HH TYR A 122 9.733 -6.754 1.764 1.00 53.31 H new ATOM 1950 N VAL A 123 15.661 -2.645 2.936 1.00 13.32 N ATOM 1951 CA VAL A 123 15.900 -1.547 1.971 1.00 4.32 C ATOM 1952 C VAL A 123 17.295 -0.937 2.223 1.00 43.01 C ATOM 1953 O VAL A 123 18.162 -0.953 1.344 1.00 72.13 O ATOM 1954 CB VAL A 123 14.777 -0.426 2.042 1.00 34.22 C ATOM 1955 CG1 VAL A 123 15.144 0.815 1.188 1.00 31.15 C ATOM 1956 CG2 VAL A 123 13.400 -0.985 1.601 1.00 63.43 C ATOM 0 H VAL A 123 14.867 -2.482 3.555 1.00 13.32 H new ATOM 0 HA VAL A 123 15.858 -1.968 0.966 1.00 4.32 H new ATOM 0 HB VAL A 123 14.711 -0.111 3.083 1.00 34.22 H new ATOM 0 HG11 VAL A 123 14.349 1.557 1.265 1.00 31.15 H new ATOM 0 HG12 VAL A 123 16.078 1.244 1.552 1.00 31.15 H new ATOM 0 HG13 VAL A 123 15.263 0.517 0.146 1.00 31.15 H new ATOM 0 HG21 VAL A 123 12.651 -0.195 1.660 1.00 63.43 H new ATOM 0 HG22 VAL A 123 13.466 -1.347 0.575 1.00 63.43 H new ATOM 0 HG23 VAL A 123 13.114 -1.806 2.258 1.00 63.43 H new ATOM 1966 N GLN A 124 17.500 -0.463 3.459 1.00 43.01 N ATOM 1967 CA GLN A 124 18.774 0.147 3.903 1.00 22.41 C ATOM 1968 C GLN A 124 19.902 -0.913 4.053 1.00 62.24 C ATOM 1969 O GLN A 124 21.079 -0.560 4.156 1.00 32.10 O ATOM 1970 CB GLN A 124 18.539 0.935 5.221 1.00 31.32 C ATOM 1971 CG GLN A 124 17.958 0.091 6.369 1.00 31.42 C ATOM 1972 CD GLN A 124 17.572 0.898 7.614 1.00 63.34 C ATOM 1973 OE1 GLN A 124 16.591 0.411 8.365 1.00 24.24 O flip ATOM 1974 NE2 GLN A 124 18.163 1.935 7.916 1.00 62.50 N flip ATOM 0 H GLN A 124 16.787 -0.489 4.188 1.00 43.01 H new ATOM 0 HA GLN A 124 19.114 0.844 3.137 1.00 22.41 H new ATOM 0 HB2 GLN A 124 19.486 1.367 5.546 1.00 31.32 H new ATOM 0 HB3 GLN A 124 17.863 1.766 5.018 1.00 31.32 H new ATOM 0 HG2 GLN A 124 17.077 -0.437 6.006 1.00 31.42 H new ATOM 0 HG3 GLN A 124 18.689 -0.666 6.653 1.00 31.42 H new ATOM 0 HE21 GLN A 124 18.913 2.286 7.321 1.00 62.50 H new ATOM 0 HE22 GLN A 124 17.903 2.443 8.762 1.00 62.50 H new ATOM 1983 N ASP A 125 19.517 -2.209 4.094 1.00 1.42 N ATOM 1984 CA ASP A 125 20.472 -3.349 4.053 1.00 4.45 C ATOM 1985 C ASP A 125 20.953 -3.608 2.602 1.00 42.33 C ATOM 1986 O ASP A 125 22.067 -4.100 2.380 1.00 12.41 O ATOM 1987 CB ASP A 125 19.757 -4.615 4.600 1.00 60.13 C ATOM 1988 CG ASP A 125 20.609 -5.902 4.606 1.00 51.34 C ATOM 1989 OD1 ASP A 125 20.613 -6.634 3.595 1.00 71.34 O ATOM 1990 OD2 ASP A 125 21.253 -6.205 5.632 1.00 23.34 O ATOM 0 H ASP A 125 18.541 -2.497 4.156 1.00 1.42 H new ATOM 0 HA ASP A 125 21.343 -3.112 4.664 1.00 4.45 H new ATOM 0 HB2 ASP A 125 19.425 -4.414 5.619 1.00 60.13 H new ATOM 0 HB3 ASP A 125 18.863 -4.794 4.003 1.00 60.13 H new ATOM 1995 N GLY A 126 20.100 -3.249 1.619 1.00 41.41 N ATOM 1996 CA GLY A 126 20.396 -3.449 0.192 1.00 73.21 C ATOM 1997 C GLY A 126 19.888 -4.782 -0.370 1.00 52.14 C ATOM 1998 O GLY A 126 19.701 -4.908 -1.579 1.00 22.54 O ATOM 0 H GLY A 126 19.194 -2.815 1.795 1.00 41.41 H new ATOM 0 HA2 GLY A 126 19.952 -2.633 -0.378 1.00 73.21 H new ATOM 0 HA3 GLY A 126 21.474 -3.391 0.044 1.00 73.21 H new ATOM 2002 N HIS A 127 19.655 -5.778 0.504 1.00 5.24 N ATOM 2003 CA HIS A 127 19.212 -7.123 0.081 1.00 32.51 C ATOM 2004 C HIS A 127 17.712 -7.250 0.328 1.00 63.22 C ATOM 2005 O HIS A 127 17.291 -7.298 1.479 1.00 1.21 O ATOM 2006 CB HIS A 127 19.977 -8.230 0.858 1.00 32.12 C ATOM 2007 CG HIS A 127 19.656 -9.642 0.418 1.00 24.53 C ATOM 2008 ND1 HIS A 127 20.401 -10.320 -0.522 1.00 62.40 N ATOM 2009 CD2 HIS A 127 18.667 -10.502 0.792 1.00 12.30 C ATOM 2010 CE1 HIS A 127 19.888 -11.519 -0.707 1.00 64.22 C ATOM 2011 NE2 HIS A 127 18.844 -11.652 0.078 1.00 23.40 N ATOM 0 H HIS A 127 19.766 -5.678 1.513 1.00 5.24 H new ATOM 0 HA HIS A 127 19.426 -7.251 -0.980 1.00 32.51 H new ATOM 0 HB2 HIS A 127 21.048 -8.062 0.744 1.00 32.12 H new ATOM 0 HB3 HIS A 127 19.750 -8.134 1.920 1.00 32.12 H new ATOM 0 HD2 HIS A 127 17.890 -10.310 1.517 1.00 12.30 H new ATOM 0 HE1 HIS A 127 20.263 -12.267 -1.390 1.00 64.22 H new ATOM 0 HE2 HIS A 127 18.257 -12.484 0.144 1.00 23.40 H new ATOM 2020 N ASP A 128 16.919 -7.336 -0.751 1.00 62.14 N ATOM 2021 CA ASP A 128 15.448 -7.412 -0.657 1.00 44.23 C ATOM 2022 C ASP A 128 14.975 -8.794 -0.164 1.00 24.41 C ATOM 2023 O ASP A 128 15.753 -9.754 -0.093 1.00 53.50 O ATOM 2024 CB ASP A 128 14.793 -7.075 -2.022 1.00 34.40 C ATOM 2025 CG ASP A 128 14.651 -8.287 -2.952 1.00 12.53 C ATOM 2026 OD1 ASP A 128 15.639 -8.660 -3.626 1.00 31.20 O ATOM 2027 OD2 ASP A 128 13.557 -8.896 -2.986 1.00 60.03 O ATOM 0 H ASP A 128 17.273 -7.355 -1.707 1.00 62.14 H new ATOM 0 HA ASP A 128 15.133 -6.672 0.079 1.00 44.23 H new ATOM 0 HB2 ASP A 128 13.807 -6.645 -1.846 1.00 34.40 H new ATOM 0 HB3 ASP A 128 15.389 -6.312 -2.523 1.00 34.40 H new ATOM 2032 N HIS A 129 13.668 -8.878 0.117 1.00 51.10 N ATOM 2033 CA HIS A 129 12.969 -10.125 0.507 1.00 14.24 C ATOM 2034 C HIS A 129 11.550 -10.116 -0.106 1.00 3.34 C ATOM 2035 O HIS A 129 10.722 -10.988 0.196 1.00 64.24 O ATOM 2036 CB HIS A 129 12.902 -10.298 2.062 1.00 41.05 C ATOM 2037 CG HIS A 129 14.229 -10.607 2.725 1.00 41.11 C ATOM 2038 ND1 HIS A 129 14.617 -11.882 3.088 1.00 33.52 N ATOM 2039 CD2 HIS A 129 15.260 -9.801 3.078 1.00 43.44 C ATOM 2040 CE1 HIS A 129 15.821 -11.839 3.626 1.00 11.42 C ATOM 2041 NE2 HIS A 129 16.229 -10.589 3.631 1.00 55.34 N ATOM 0 H HIS A 129 13.048 -8.069 0.081 1.00 51.10 H new ATOM 0 HA HIS A 129 13.533 -10.975 0.123 1.00 14.24 H new ATOM 0 HB2 HIS A 129 12.498 -9.384 2.498 1.00 41.05 H new ATOM 0 HB3 HIS A 129 12.200 -11.099 2.294 1.00 41.05 H new ATOM 0 HD2 HIS A 129 15.307 -8.730 2.946 1.00 43.44 H new ATOM 0 HE1 HIS A 129 16.377 -12.687 3.999 1.00 11.42 H new ATOM 0 HE2 HIS A 129 17.125 -10.260 3.990 1.00 55.34 H new ATOM 2050 N ASP A 130 11.299 -9.132 -1.004 1.00 70.02 N ATOM 2051 CA ASP A 130 10.001 -8.916 -1.666 1.00 21.22 C ATOM 2052 C ASP A 130 10.111 -9.322 -3.143 1.00 2.23 C ATOM 2053 O ASP A 130 10.291 -8.491 -4.041 1.00 10.25 O ATOM 2054 CB ASP A 130 9.501 -7.440 -1.493 1.00 61.33 C ATOM 2055 CG ASP A 130 10.477 -6.346 -2.002 1.00 41.11 C ATOM 2056 OD1 ASP A 130 11.632 -6.330 -1.546 1.00 65.33 O ATOM 2057 OD2 ASP A 130 10.079 -5.480 -2.822 1.00 15.23 O ATOM 0 H ASP A 130 12.009 -8.458 -1.289 1.00 70.02 H new ATOM 0 HA ASP A 130 9.249 -9.545 -1.189 1.00 21.22 H new ATOM 0 HB2 ASP A 130 8.553 -7.331 -2.019 1.00 61.33 H new ATOM 0 HB3 ASP A 130 9.302 -7.263 -0.436 1.00 61.33 H new ATOM 2062 N PHE A 131 10.112 -10.653 -3.354 1.00 23.42 N ATOM 2063 CA PHE A 131 9.970 -11.305 -4.681 1.00 73.34 C ATOM 2064 C PHE A 131 11.170 -11.055 -5.629 1.00 74.13 C ATOM 2065 O PHE A 131 11.167 -11.555 -6.759 1.00 2.30 O ATOM 2066 CB PHE A 131 8.611 -10.916 -5.351 1.00 32.42 C ATOM 2067 CG PHE A 131 7.403 -11.206 -4.455 1.00 75.35 C ATOM 2068 CD1 PHE A 131 6.863 -12.492 -4.372 1.00 63.14 C ATOM 2069 CD2 PHE A 131 6.836 -10.202 -3.664 1.00 21.44 C ATOM 2070 CE1 PHE A 131 5.799 -12.757 -3.530 1.00 64.41 C ATOM 2071 CE2 PHE A 131 5.775 -10.470 -2.830 1.00 11.42 C ATOM 2072 CZ PHE A 131 5.259 -11.744 -2.762 1.00 10.23 C ATOM 0 H PHE A 131 10.214 -11.324 -2.593 1.00 23.42 H new ATOM 0 HA PHE A 131 9.968 -12.379 -4.495 1.00 73.34 H new ATOM 0 HB2 PHE A 131 8.625 -9.855 -5.602 1.00 32.42 H new ATOM 0 HB3 PHE A 131 8.503 -11.463 -6.287 1.00 32.42 H new ATOM 0 HD1 PHE A 131 7.281 -13.287 -4.972 1.00 63.14 H new ATOM 0 HD2 PHE A 131 7.237 -9.200 -3.708 1.00 21.44 H new ATOM 0 HE1 PHE A 131 5.390 -13.755 -3.473 1.00 64.41 H new ATOM 0 HE2 PHE A 131 5.347 -9.681 -2.229 1.00 11.42 H new ATOM 0 HZ PHE A 131 4.428 -11.953 -2.105 1.00 10.23 H new ATOM 2082 N GLY A 132 12.203 -10.331 -5.157 1.00 13.55 N ATOM 2083 CA GLY A 132 13.418 -10.084 -5.937 1.00 42.31 C ATOM 2084 C GLY A 132 13.427 -8.720 -6.600 1.00 11.54 C ATOM 2085 O GLY A 132 13.636 -8.614 -7.808 1.00 50.31 O ATOM 0 H GLY A 132 12.214 -9.906 -4.230 1.00 13.55 H new ATOM 0 HA2 GLY A 132 14.287 -10.171 -5.284 1.00 42.31 H new ATOM 0 HA3 GLY A 132 13.516 -10.855 -6.702 1.00 42.31 H new ATOM 2089 N ARG A 133 13.175 -7.674 -5.799 1.00 63.03 N ATOM 2090 CA ARG A 133 13.293 -6.267 -6.231 1.00 52.30 C ATOM 2091 C ARG A 133 14.730 -5.752 -5.968 1.00 41.41 C ATOM 2092 O ARG A 133 15.330 -6.069 -4.949 1.00 12.44 O ATOM 2093 CB ARG A 133 12.254 -5.395 -5.470 1.00 62.32 C ATOM 2094 CG ARG A 133 12.285 -3.891 -5.834 1.00 54.43 C ATOM 2095 CD ARG A 133 11.333 -3.019 -4.987 1.00 12.20 C ATOM 2096 NE ARG A 133 9.905 -3.258 -5.260 1.00 4.12 N ATOM 2097 CZ ARG A 133 9.187 -2.645 -6.227 1.00 75.53 C ATOM 2098 NH1 ARG A 133 9.744 -1.759 -7.049 1.00 33.43 N ATOM 2099 NH2 ARG A 133 7.897 -2.893 -6.349 1.00 34.52 N ATOM 0 H ARG A 133 12.882 -7.777 -4.828 1.00 63.03 H new ATOM 0 HA ARG A 133 13.091 -6.200 -7.300 1.00 52.30 H new ATOM 0 HB2 ARG A 133 11.256 -5.784 -5.672 1.00 62.32 H new ATOM 0 HB3 ARG A 133 12.426 -5.500 -4.399 1.00 62.32 H new ATOM 0 HG2 ARG A 133 13.303 -3.520 -5.715 1.00 54.43 H new ATOM 0 HG3 ARG A 133 12.025 -3.777 -6.886 1.00 54.43 H new ATOM 0 HD2 ARG A 133 11.527 -3.206 -3.931 1.00 12.20 H new ATOM 0 HD3 ARG A 133 11.557 -1.968 -5.171 1.00 12.20 H new ATOM 0 HE ARG A 133 9.421 -3.938 -4.674 1.00 4.12 H new ATOM 0 HH11 ARG A 133 10.734 -1.530 -6.957 1.00 33.43 H new ATOM 0 HH12 ARG A 133 9.181 -1.309 -7.771 1.00 33.43 H new ATOM 0 HH21 ARG A 133 7.441 -3.548 -5.713 1.00 34.52 H new ATOM 0 HH22 ARG A 133 7.355 -2.430 -7.079 1.00 34.52 H new ATOM 2113 N ASP A 134 15.277 -4.953 -6.895 1.00 42.41 N ATOM 2114 CA ASP A 134 16.646 -4.396 -6.773 1.00 41.01 C ATOM 2115 C ASP A 134 16.684 -3.268 -5.694 1.00 12.51 C ATOM 2116 O ASP A 134 15.707 -2.519 -5.571 1.00 14.31 O ATOM 2117 CB ASP A 134 17.124 -3.866 -8.158 1.00 31.11 C ATOM 2118 CG ASP A 134 18.623 -3.526 -8.219 1.00 23.13 C ATOM 2119 OD1 ASP A 134 19.026 -2.497 -7.664 1.00 24.40 O ATOM 2120 OD2 ASP A 134 19.401 -4.283 -8.828 1.00 53.13 O ATOM 0 H ASP A 134 14.793 -4.672 -7.748 1.00 42.41 H new ATOM 0 HA ASP A 134 17.326 -5.185 -6.451 1.00 41.01 H new ATOM 0 HB2 ASP A 134 16.901 -4.615 -8.918 1.00 31.11 H new ATOM 0 HB3 ASP A 134 16.550 -2.975 -8.411 1.00 31.11 H new ATOM 2125 N PRO A 135 17.800 -3.163 -4.872 1.00 25.30 N ATOM 2126 CA PRO A 135 18.023 -2.072 -3.870 1.00 51.22 C ATOM 2127 C PRO A 135 17.651 -0.646 -4.339 1.00 10.32 C ATOM 2128 O PRO A 135 17.117 0.144 -3.555 1.00 60.10 O ATOM 2129 CB PRO A 135 19.552 -2.183 -3.537 1.00 25.31 C ATOM 2130 CG PRO A 135 20.096 -3.255 -4.450 1.00 62.43 C ATOM 2131 CD PRO A 135 18.919 -4.144 -4.776 1.00 1.21 C ATOM 0 HA PRO A 135 17.363 -2.211 -3.013 1.00 51.22 H new ATOM 0 HB2 PRO A 135 20.059 -1.233 -3.705 1.00 25.31 H new ATOM 0 HB3 PRO A 135 19.706 -2.446 -2.490 1.00 25.31 H new ATOM 0 HG2 PRO A 135 20.522 -2.821 -5.354 1.00 62.43 H new ATOM 0 HG3 PRO A 135 20.891 -3.819 -3.962 1.00 62.43 H new ATOM 0 HD2 PRO A 135 19.065 -4.687 -5.710 1.00 1.21 H new ATOM 0 HD3 PRO A 135 18.743 -4.888 -3.999 1.00 1.21 H new ATOM 2139 N LYS A 136 17.920 -0.321 -5.616 1.00 52.35 N ATOM 2140 CA LYS A 136 17.681 1.040 -6.150 1.00 21.22 C ATOM 2141 C LYS A 136 16.166 1.331 -6.349 1.00 62.44 C ATOM 2142 O LYS A 136 15.762 2.497 -6.429 1.00 63.43 O ATOM 2143 CB LYS A 136 18.485 1.257 -7.465 1.00 14.00 C ATOM 2144 CG LYS A 136 18.020 0.398 -8.658 1.00 52.05 C ATOM 2145 CD LYS A 136 18.975 0.428 -9.878 1.00 44.33 C ATOM 2146 CE LYS A 136 20.346 -0.204 -9.592 1.00 54.44 C ATOM 2147 NZ LYS A 136 21.217 -0.224 -10.794 1.00 62.03 N ATOM 0 H LYS A 136 18.302 -0.976 -6.298 1.00 52.35 H new ATOM 0 HA LYS A 136 18.039 1.756 -5.410 1.00 21.22 H new ATOM 0 HB2 LYS A 136 18.419 2.308 -7.745 1.00 14.00 H new ATOM 0 HB3 LYS A 136 19.536 1.044 -7.271 1.00 14.00 H new ATOM 0 HG2 LYS A 136 17.907 -0.634 -8.325 1.00 52.05 H new ATOM 0 HG3 LYS A 136 17.035 0.740 -8.975 1.00 52.05 H new ATOM 0 HD2 LYS A 136 18.507 -0.098 -10.710 1.00 44.33 H new ATOM 0 HD3 LYS A 136 19.118 1.461 -10.194 1.00 44.33 H new ATOM 0 HE2 LYS A 136 20.841 0.352 -8.796 1.00 54.44 H new ATOM 0 HE3 LYS A 136 20.206 -1.223 -9.230 1.00 54.44 H new ATOM 0 HZ1 LYS A 136 22.131 -0.659 -10.554 1.00 62.03 H new ATOM 0 HZ2 LYS A 136 20.758 -0.776 -11.546 1.00 62.03 H new ATOM 0 HZ3 LYS A 136 21.374 0.749 -11.126 1.00 62.03 H new ATOM 2161 N TYR A 137 15.336 0.271 -6.432 1.00 65.23 N ATOM 2162 CA TYR A 137 13.854 0.394 -6.513 1.00 53.24 C ATOM 2163 C TYR A 137 13.222 0.299 -5.111 1.00 52.02 C ATOM 2164 O TYR A 137 12.069 0.703 -4.918 1.00 64.11 O ATOM 2165 CB TYR A 137 13.252 -0.699 -7.441 1.00 72.43 C ATOM 2166 CG TYR A 137 13.744 -0.623 -8.890 1.00 20.04 C ATOM 2167 CD1 TYR A 137 14.953 -1.202 -9.257 1.00 60.05 C ATOM 2168 CD2 TYR A 137 13.018 0.048 -9.882 1.00 21.01 C ATOM 2169 CE1 TYR A 137 15.430 -1.122 -10.546 1.00 12.50 C ATOM 2170 CE2 TYR A 137 13.492 0.126 -11.181 1.00 14.15 C ATOM 2171 CZ TYR A 137 14.702 -0.460 -11.505 1.00 65.13 C ATOM 2172 OH TYR A 137 15.187 -0.380 -12.795 1.00 23.44 O ATOM 0 H TYR A 137 15.666 -0.694 -6.445 1.00 65.23 H new ATOM 0 HA TYR A 137 13.626 1.372 -6.937 1.00 53.24 H new ATOM 0 HB2 TYR A 137 13.497 -1.681 -7.036 1.00 72.43 H new ATOM 0 HB3 TYR A 137 12.166 -0.612 -7.431 1.00 72.43 H new ATOM 0 HD1 TYR A 137 15.533 -1.728 -8.513 1.00 60.05 H new ATOM 0 HD2 TYR A 137 12.075 0.511 -9.631 1.00 21.01 H new ATOM 0 HE1 TYR A 137 16.374 -1.579 -10.803 1.00 12.50 H new ATOM 0 HE2 TYR A 137 12.919 0.642 -11.937 1.00 14.15 H new ATOM 0 HH TYR A 137 14.554 0.120 -13.352 1.00 23.44 H new ATOM 2182 N LEU A 138 13.976 -0.280 -4.155 1.00 0.55 N ATOM 2183 CA LEU A 138 13.595 -0.315 -2.729 1.00 60.20 C ATOM 2184 C LEU A 138 13.572 1.128 -2.155 1.00 33.53 C ATOM 2185 O LEU A 138 14.556 1.862 -2.288 1.00 15.22 O ATOM 2186 CB LEU A 138 14.596 -1.202 -1.929 1.00 41.23 C ATOM 2187 CG LEU A 138 14.523 -2.748 -2.154 1.00 54.52 C ATOM 2188 CD1 LEU A 138 15.631 -3.482 -1.357 1.00 54.42 C ATOM 2189 CD2 LEU A 138 13.129 -3.300 -1.786 1.00 32.30 C ATOM 0 H LEU A 138 14.867 -0.737 -4.350 1.00 0.55 H new ATOM 0 HA LEU A 138 12.598 -0.747 -2.636 1.00 60.20 H new ATOM 0 HB2 LEU A 138 15.606 -0.873 -2.172 1.00 41.23 H new ATOM 0 HB3 LEU A 138 14.444 -1.008 -0.867 1.00 41.23 H new ATOM 0 HG LEU A 138 14.690 -2.934 -3.215 1.00 54.52 H new ATOM 0 HD11 LEU A 138 15.555 -4.555 -1.533 1.00 54.42 H new ATOM 0 HD12 LEU A 138 16.609 -3.129 -1.684 1.00 54.42 H new ATOM 0 HD13 LEU A 138 15.509 -3.279 -0.293 1.00 54.42 H new ATOM 0 HD21 LEU A 138 13.109 -4.377 -1.953 1.00 32.30 H new ATOM 0 HD22 LEU A 138 12.920 -3.091 -0.737 1.00 32.30 H new ATOM 0 HD23 LEU A 138 12.372 -2.822 -2.408 1.00 32.30 H new ATOM 2201 N HIS A 139 12.445 1.516 -1.531 1.00 2.10 N ATOM 2202 CA HIS A 139 12.220 2.884 -1.007 1.00 0.53 C ATOM 2203 C HIS A 139 11.357 2.821 0.261 1.00 63.13 C ATOM 2204 O HIS A 139 10.183 2.452 0.170 1.00 23.53 O ATOM 2205 CB HIS A 139 11.516 3.748 -2.103 1.00 70.52 C ATOM 2206 CG HIS A 139 10.782 4.978 -1.597 1.00 51.51 C ATOM 2207 ND1 HIS A 139 9.421 4.985 -1.349 1.00 24.10 N ATOM 2208 CD2 HIS A 139 11.210 6.224 -1.302 1.00 71.02 C ATOM 2209 CE1 HIS A 139 9.056 6.177 -0.924 1.00 73.10 C ATOM 2210 NE2 HIS A 139 10.122 6.945 -0.887 1.00 32.24 N ATOM 0 H HIS A 139 11.657 0.888 -1.373 1.00 2.10 H new ATOM 0 HA HIS A 139 13.176 3.341 -0.753 1.00 0.53 H new ATOM 0 HB2 HIS A 139 12.266 4.067 -2.827 1.00 70.52 H new ATOM 0 HB3 HIS A 139 10.806 3.117 -2.637 1.00 70.52 H new ATOM 0 HD1 HIS A 139 8.796 4.189 -1.476 1.00 24.10 H new ATOM 0 HD2 HIS A 139 12.225 6.586 -1.379 1.00 71.02 H new ATOM 0 HE1 HIS A 139 8.053 6.473 -0.653 1.00 73.10 H new ATOM 2219 N GLN A 140 11.920 3.213 1.429 1.00 3.43 N ATOM 2220 CA GLN A 140 11.148 3.286 2.692 1.00 54.41 C ATOM 2221 C GLN A 140 10.023 4.327 2.575 1.00 14.32 C ATOM 2222 O GLN A 140 10.211 5.375 1.944 1.00 22.41 O ATOM 2223 CB GLN A 140 12.037 3.642 3.922 1.00 34.12 C ATOM 2224 CG GLN A 140 13.172 2.637 4.228 1.00 24.21 C ATOM 2225 CD GLN A 140 14.552 3.045 3.729 1.00 22.22 C ATOM 2226 OE1 GLN A 140 14.690 3.769 2.743 1.00 60.32 O ATOM 2227 NE2 GLN A 140 15.585 2.533 4.386 1.00 64.12 N ATOM 0 H GLN A 140 12.899 3.482 1.522 1.00 3.43 H new ATOM 0 HA GLN A 140 10.731 2.292 2.854 1.00 54.41 H new ATOM 0 HB2 GLN A 140 12.478 4.625 3.758 1.00 34.12 H new ATOM 0 HB3 GLN A 140 11.398 3.722 4.801 1.00 34.12 H new ATOM 0 HG2 GLN A 140 13.223 2.488 5.307 1.00 24.21 H new ATOM 0 HG3 GLN A 140 12.913 1.675 3.785 1.00 24.21 H new ATOM 0 HE21 GLN A 140 15.428 1.937 5.199 1.00 64.12 H new ATOM 0 HE22 GLN A 140 16.536 2.735 4.078 1.00 64.12 H new ATOM 2236 N PHE A 141 8.874 4.019 3.200 1.00 22.03 N ATOM 2237 CA PHE A 141 7.698 4.898 3.204 1.00 12.41 C ATOM 2238 C PHE A 141 8.019 6.196 3.965 1.00 22.41 C ATOM 2239 O PHE A 141 8.056 6.199 5.204 1.00 14.23 O ATOM 2240 CB PHE A 141 6.487 4.185 3.856 1.00 74.25 C ATOM 2241 CG PHE A 141 6.171 2.822 3.261 1.00 63.03 C ATOM 2242 CD1 PHE A 141 5.530 2.718 2.029 1.00 21.34 C ATOM 2243 CD2 PHE A 141 6.516 1.648 3.934 1.00 44.22 C ATOM 2244 CE1 PHE A 141 5.246 1.482 1.490 1.00 75.42 C ATOM 2245 CE2 PHE A 141 6.229 0.418 3.396 1.00 61.04 C ATOM 2246 CZ PHE A 141 5.595 0.334 2.171 1.00 75.15 C ATOM 0 H PHE A 141 8.737 3.151 3.717 1.00 22.03 H new ATOM 0 HA PHE A 141 7.441 5.141 2.173 1.00 12.41 H new ATOM 0 HB2 PHE A 141 6.680 4.067 4.922 1.00 74.25 H new ATOM 0 HB3 PHE A 141 5.609 4.823 3.760 1.00 74.25 H new ATOM 0 HD1 PHE A 141 5.253 3.613 1.492 1.00 21.34 H new ATOM 0 HD2 PHE A 141 7.015 1.708 4.890 1.00 44.22 H new ATOM 0 HE1 PHE A 141 4.750 1.412 0.533 1.00 75.42 H new ATOM 0 HE2 PHE A 141 6.498 -0.482 3.929 1.00 61.04 H new ATOM 0 HZ PHE A 141 5.372 -0.633 1.745 1.00 75.15 H new ATOM 2256 N GLU A 142 8.302 7.274 3.212 1.00 53.52 N ATOM 2257 CA GLU A 142 8.671 8.580 3.781 1.00 30.42 C ATOM 2258 C GLU A 142 7.420 9.473 3.920 1.00 62.13 C ATOM 2259 O GLU A 142 6.713 9.740 2.949 1.00 31.03 O ATOM 2260 CB GLU A 142 9.779 9.259 2.928 1.00 21.43 C ATOM 2261 CG GLU A 142 9.450 9.450 1.438 1.00 42.44 C ATOM 2262 CD GLU A 142 10.596 10.122 0.664 1.00 34.12 C ATOM 2263 OE1 GLU A 142 10.633 11.371 0.591 1.00 53.15 O ATOM 2264 OE2 GLU A 142 11.472 9.401 0.142 1.00 70.20 O ATOM 0 H GLU A 142 8.281 7.263 2.192 1.00 53.52 H new ATOM 0 HA GLU A 142 9.082 8.429 4.779 1.00 30.42 H new ATOM 0 HB2 GLU A 142 9.998 10.235 3.361 1.00 21.43 H new ATOM 0 HB3 GLU A 142 10.689 8.664 3.007 1.00 21.43 H new ATOM 0 HG2 GLU A 142 9.233 8.480 0.990 1.00 42.44 H new ATOM 0 HG3 GLU A 142 8.548 10.054 1.343 1.00 42.44 H new ATOM 2271 N GLY A 143 7.144 9.904 5.152 1.00 41.21 N ATOM 2272 CA GLY A 143 5.956 10.684 5.478 1.00 55.23 C ATOM 2273 C GLY A 143 5.341 10.185 6.773 1.00 73.42 C ATOM 2274 O GLY A 143 5.335 8.973 7.027 1.00 1.31 O ATOM 0 H GLY A 143 7.745 9.719 5.955 1.00 41.21 H new ATOM 0 HA2 GLY A 143 6.219 11.738 5.574 1.00 55.23 H new ATOM 0 HA3 GLY A 143 5.229 10.609 4.669 1.00 55.23 H new ATOM 2278 N GLU A 144 4.826 11.119 7.591 1.00 63.34 N ATOM 2279 CA GLU A 144 4.184 10.813 8.892 1.00 13.30 C ATOM 2280 C GLU A 144 2.904 9.970 8.693 1.00 15.02 C ATOM 2281 O GLU A 144 2.512 9.193 9.566 1.00 14.45 O ATOM 2282 CB GLU A 144 3.832 12.139 9.630 1.00 71.30 C ATOM 2283 CG GLU A 144 5.027 13.084 9.869 1.00 75.33 C ATOM 2284 CD GLU A 144 4.607 14.444 10.465 1.00 53.00 C ATOM 2285 OE1 GLU A 144 4.324 14.510 11.684 1.00 31.11 O ATOM 2286 OE2 GLU A 144 4.543 15.449 9.716 1.00 72.11 O ATOM 0 H GLU A 144 4.841 12.115 7.372 1.00 63.34 H new ATOM 0 HA GLU A 144 4.885 10.235 9.493 1.00 13.30 H new ATOM 0 HB2 GLU A 144 3.077 12.671 9.051 1.00 71.30 H new ATOM 0 HB3 GLU A 144 3.382 11.894 10.592 1.00 71.30 H new ATOM 0 HG2 GLU A 144 5.736 12.602 10.542 1.00 75.33 H new ATOM 0 HG3 GLU A 144 5.546 13.251 8.925 1.00 75.33 H new ATOM 2293 N THR A 145 2.281 10.128 7.515 1.00 34.32 N ATOM 2294 CA THR A 145 0.983 9.531 7.192 1.00 12.04 C ATOM 2295 C THR A 145 1.131 8.351 6.198 1.00 3.01 C ATOM 2296 O THR A 145 1.672 8.520 5.097 1.00 55.44 O ATOM 2297 CB THR A 145 0.033 10.615 6.589 1.00 32.24 C ATOM 2298 OG1 THR A 145 0.008 11.773 7.445 1.00 72.10 O ATOM 2299 CG2 THR A 145 -1.397 10.091 6.407 1.00 1.43 C ATOM 0 H THR A 145 2.672 10.682 6.753 1.00 34.32 H new ATOM 0 HA THR A 145 0.555 9.142 8.116 1.00 12.04 H new ATOM 0 HB THR A 145 0.423 10.879 5.606 1.00 32.24 H new ATOM 0 HG1 THR A 145 -0.588 12.450 7.062 1.00 72.10 H new ATOM 0 HG21 THR A 145 -2.022 10.878 5.985 1.00 1.43 H new ATOM 0 HG22 THR A 145 -1.388 9.235 5.733 1.00 1.43 H new ATOM 0 HG23 THR A 145 -1.799 9.787 7.374 1.00 1.43 H new ATOM 2307 N PHE A 146 0.658 7.163 6.620 1.00 22.44 N ATOM 2308 CA PHE A 146 0.492 5.978 5.757 1.00 65.23 C ATOM 2309 C PHE A 146 -0.921 5.989 5.145 1.00 32.42 C ATOM 2310 O PHE A 146 -1.914 6.040 5.884 1.00 15.15 O ATOM 2311 CB PHE A 146 0.693 4.666 6.582 1.00 52.41 C ATOM 2312 CG PHE A 146 2.153 4.284 6.832 1.00 23.34 C ATOM 2313 CD1 PHE A 146 2.913 4.903 7.828 1.00 53.43 C ATOM 2314 CD2 PHE A 146 2.763 3.290 6.063 1.00 23.24 C ATOM 2315 CE1 PHE A 146 4.235 4.538 8.040 1.00 61.42 C ATOM 2316 CE2 PHE A 146 4.075 2.929 6.277 1.00 4.31 C ATOM 2317 CZ PHE A 146 4.813 3.547 7.263 1.00 1.51 C ATOM 0 H PHE A 146 0.376 6.997 7.586 1.00 22.44 H new ATOM 0 HA PHE A 146 1.241 6.010 4.965 1.00 65.23 H new ATOM 0 HB2 PHE A 146 0.191 4.777 7.543 1.00 52.41 H new ATOM 0 HB3 PHE A 146 0.202 3.846 6.059 1.00 52.41 H new ATOM 0 HD1 PHE A 146 2.467 5.674 8.439 1.00 53.43 H new ATOM 0 HD2 PHE A 146 2.196 2.796 5.288 1.00 23.24 H new ATOM 0 HE1 PHE A 146 4.813 5.026 8.810 1.00 61.42 H new ATOM 0 HE2 PHE A 146 4.527 2.159 5.670 1.00 4.31 H new ATOM 0 HZ PHE A 146 5.841 3.259 7.430 1.00 1.51 H new ATOM 2327 N TYR A 147 -1.006 5.964 3.804 1.00 4.21 N ATOM 2328 CA TYR A 147 -2.278 5.781 3.086 1.00 40.33 C ATOM 2329 C TYR A 147 -2.422 4.315 2.671 1.00 51.23 C ATOM 2330 O TYR A 147 -1.635 3.806 1.873 1.00 52.24 O ATOM 2331 CB TYR A 147 -2.381 6.718 1.852 1.00 61.31 C ATOM 2332 CG TYR A 147 -2.684 8.174 2.209 1.00 43.15 C ATOM 2333 CD1 TYR A 147 -1.685 9.039 2.651 1.00 52.35 C ATOM 2334 CD2 TYR A 147 -3.981 8.682 2.108 1.00 44.14 C ATOM 2335 CE1 TYR A 147 -1.970 10.347 2.974 1.00 21.44 C ATOM 2336 CE2 TYR A 147 -4.263 9.993 2.430 1.00 52.33 C ATOM 2337 CZ TYR A 147 -3.256 10.819 2.864 1.00 31.33 C ATOM 2338 OH TYR A 147 -3.533 12.130 3.189 1.00 24.44 O ATOM 0 H TYR A 147 -0.198 6.070 3.190 1.00 4.21 H new ATOM 0 HA TYR A 147 -3.095 6.048 3.757 1.00 40.33 H new ATOM 0 HB2 TYR A 147 -1.444 6.677 1.296 1.00 61.31 H new ATOM 0 HB3 TYR A 147 -3.162 6.346 1.188 1.00 61.31 H new ATOM 0 HD1 TYR A 147 -0.671 8.678 2.742 1.00 52.35 H new ATOM 0 HD2 TYR A 147 -4.778 8.036 1.771 1.00 44.14 H new ATOM 0 HE1 TYR A 147 -1.182 11.003 3.314 1.00 21.44 H new ATOM 0 HE2 TYR A 147 -5.272 10.368 2.341 1.00 52.33 H new ATOM 0 HH TYR A 147 -2.713 12.572 3.491 1.00 24.44 H new ATOM 2348 N ILE A 148 -3.413 3.633 3.251 1.00 74.23 N ATOM 2349 CA ILE A 148 -3.723 2.237 2.932 1.00 72.04 C ATOM 2350 C ILE A 148 -4.990 2.194 2.061 1.00 25.24 C ATOM 2351 O ILE A 148 -6.090 2.489 2.535 1.00 10.45 O ATOM 2352 CB ILE A 148 -3.912 1.379 4.238 1.00 24.34 C ATOM 2353 CG1 ILE A 148 -2.598 1.376 5.097 1.00 1.32 C ATOM 2354 CG2 ILE A 148 -4.347 -0.058 3.887 1.00 42.24 C ATOM 2355 CD1 ILE A 148 -2.647 0.520 6.358 1.00 74.43 C ATOM 0 H ILE A 148 -4.026 4.036 3.959 1.00 74.23 H new ATOM 0 HA ILE A 148 -2.887 1.804 2.383 1.00 72.04 H new ATOM 0 HB ILE A 148 -4.702 1.834 4.835 1.00 24.34 H new ATOM 0 HG12 ILE A 148 -1.776 1.027 4.472 1.00 1.32 H new ATOM 0 HG13 ILE A 148 -2.368 2.402 5.383 1.00 1.32 H new ATOM 0 HG21 ILE A 148 -4.472 -0.634 4.804 1.00 42.24 H new ATOM 0 HG22 ILE A 148 -5.292 -0.030 3.344 1.00 42.24 H new ATOM 0 HG23 ILE A 148 -3.585 -0.527 3.265 1.00 42.24 H new ATOM 0 HD11 ILE A 148 -1.692 0.586 6.880 1.00 74.43 H new ATOM 0 HD12 ILE A 148 -3.443 0.879 7.011 1.00 74.43 H new ATOM 0 HD13 ILE A 148 -2.841 -0.518 6.086 1.00 74.43 H new ATOM 2367 N ILE A 149 -4.820 1.859 0.778 1.00 75.54 N ATOM 2368 CA ILE A 149 -5.923 1.789 -0.182 1.00 0.34 C ATOM 2369 C ILE A 149 -6.370 0.330 -0.344 1.00 61.35 C ATOM 2370 O ILE A 149 -5.619 -0.496 -0.881 1.00 21.24 O ATOM 2371 CB ILE A 149 -5.527 2.361 -1.593 1.00 64.11 C ATOM 2372 CG1 ILE A 149 -4.866 3.780 -1.476 1.00 60.24 C ATOM 2373 CG2 ILE A 149 -6.766 2.379 -2.526 1.00 72.35 C ATOM 2374 CD1 ILE A 149 -5.719 4.843 -0.800 1.00 22.51 C ATOM 0 H ILE A 149 -3.911 1.629 0.376 1.00 75.54 H new ATOM 0 HA ILE A 149 -6.734 2.402 0.212 1.00 0.34 H new ATOM 0 HB ILE A 149 -4.777 1.704 -2.034 1.00 64.11 H new ATOM 0 HG12 ILE A 149 -3.932 3.682 -0.923 1.00 60.24 H new ATOM 0 HG13 ILE A 149 -4.610 4.126 -2.477 1.00 60.24 H new ATOM 0 HG21 ILE A 149 -6.482 2.777 -3.500 1.00 72.35 H new ATOM 0 HG22 ILE A 149 -7.147 1.365 -2.645 1.00 72.35 H new ATOM 0 HG23 ILE A 149 -7.541 3.009 -2.089 1.00 72.35 H new ATOM 0 HD11 ILE A 149 -5.171 5.785 -0.770 1.00 22.51 H new ATOM 0 HD12 ILE A 149 -6.643 4.979 -1.361 1.00 22.51 H new ATOM 0 HD13 ILE A 149 -5.955 4.528 0.217 1.00 22.51 H new ATOM 2386 N GLU A 150 -7.582 0.034 0.121 1.00 45.23 N ATOM 2387 CA GLU A 150 -8.218 -1.268 -0.044 1.00 41.34 C ATOM 2388 C GLU A 150 -8.473 -1.549 -1.536 1.00 62.24 C ATOM 2389 O GLU A 150 -9.331 -0.916 -2.172 1.00 31.13 O ATOM 2390 CB GLU A 150 -9.551 -1.318 0.745 1.00 4.44 C ATOM 2391 CG GLU A 150 -10.282 -2.675 0.671 1.00 41.04 C ATOM 2392 CD GLU A 150 -11.649 -2.653 1.357 1.00 13.44 C ATOM 2393 OE1 GLU A 150 -12.651 -2.335 0.679 1.00 15.33 O ATOM 2394 OE2 GLU A 150 -11.744 -2.966 2.571 1.00 44.35 O ATOM 0 H GLU A 150 -8.158 0.704 0.631 1.00 45.23 H new ATOM 0 HA GLU A 150 -7.551 -2.035 0.349 1.00 41.34 H new ATOM 0 HB2 GLU A 150 -9.350 -1.083 1.790 1.00 4.44 H new ATOM 0 HB3 GLU A 150 -10.214 -0.540 0.365 1.00 4.44 H new ATOM 0 HG2 GLU A 150 -10.410 -2.956 -0.374 1.00 41.04 H new ATOM 0 HG3 GLU A 150 -9.661 -3.442 1.134 1.00 41.04 H new ATOM 2401 N GLN A 151 -7.679 -2.468 -2.085 1.00 32.11 N ATOM 2402 CA GLN A 151 -7.865 -2.994 -3.434 1.00 30.20 C ATOM 2403 C GLN A 151 -8.689 -4.289 -3.353 1.00 23.24 C ATOM 2404 O GLN A 151 -8.168 -5.361 -3.033 1.00 74.11 O ATOM 2405 CB GLN A 151 -6.491 -3.268 -4.111 1.00 10.24 C ATOM 2406 CG GLN A 151 -5.598 -2.026 -4.317 1.00 52.10 C ATOM 2407 CD GLN A 151 -6.195 -0.981 -5.276 1.00 71.41 C ATOM 2408 OE1 GLN A 151 -6.962 -1.307 -6.191 1.00 73.35 O ATOM 2409 NE2 GLN A 151 -5.829 0.278 -5.091 1.00 34.01 N ATOM 0 H GLN A 151 -6.879 -2.872 -1.598 1.00 32.11 H new ATOM 0 HA GLN A 151 -8.395 -2.259 -4.039 1.00 30.20 H new ATOM 0 HB2 GLN A 151 -5.945 -3.992 -3.506 1.00 10.24 H new ATOM 0 HB3 GLN A 151 -6.669 -3.732 -5.081 1.00 10.24 H new ATOM 0 HG2 GLN A 151 -5.417 -1.556 -3.350 1.00 52.10 H new ATOM 0 HG3 GLN A 151 -4.630 -2.347 -4.702 1.00 52.10 H new ATOM 0 HE21 GLN A 151 -5.195 0.518 -4.329 1.00 34.01 H new ATOM 0 HE22 GLN A 151 -6.181 1.008 -5.711 1.00 34.01 H new ATOM 2418 N ARG A 152 -9.990 -4.159 -3.620 1.00 54.01 N ATOM 2419 CA ARG A 152 -10.892 -5.300 -3.842 1.00 4.04 C ATOM 2420 C ARG A 152 -10.741 -5.792 -5.294 1.00 31.22 C ATOM 2421 O ARG A 152 -9.969 -5.212 -6.078 1.00 1.41 O ATOM 2422 CB ARG A 152 -12.360 -4.868 -3.551 1.00 52.13 C ATOM 2423 CG ARG A 152 -12.651 -4.544 -2.062 1.00 23.21 C ATOM 2424 CD ARG A 152 -12.859 -5.791 -1.181 1.00 71.32 C ATOM 2425 NE ARG A 152 -12.916 -5.420 0.242 1.00 32.41 N ATOM 2426 CZ ARG A 152 -12.866 -6.261 1.283 1.00 50.34 C ATOM 2427 NH1 ARG A 152 -12.774 -7.579 1.106 1.00 30.03 N ATOM 2428 NH2 ARG A 152 -12.801 -5.764 2.508 1.00 33.23 N ATOM 0 H ARG A 152 -10.455 -3.254 -3.690 1.00 54.01 H new ATOM 0 HA ARG A 152 -10.634 -6.117 -3.168 1.00 4.04 H new ATOM 0 HB2 ARG A 152 -12.593 -3.990 -4.153 1.00 52.13 H new ATOM 0 HB3 ARG A 152 -13.031 -5.664 -3.875 1.00 52.13 H new ATOM 0 HG2 ARG A 152 -11.823 -3.960 -1.659 1.00 23.21 H new ATOM 0 HG3 ARG A 152 -13.541 -3.917 -2.004 1.00 23.21 H new ATOM 0 HD2 ARG A 152 -13.782 -6.295 -1.468 1.00 71.32 H new ATOM 0 HD3 ARG A 152 -12.046 -6.498 -1.345 1.00 71.32 H new ATOM 0 HE ARG A 152 -13.002 -4.426 0.456 1.00 32.41 H new ATOM 0 HH11 ARG A 152 -12.740 -7.966 0.163 1.00 30.03 H new ATOM 0 HH12 ARG A 152 -12.737 -8.201 1.914 1.00 30.03 H new ATOM 0 HH21 ARG A 152 -12.790 -4.754 2.649 1.00 33.23 H new ATOM 0 HH22 ARG A 152 -12.762 -6.391 3.311 1.00 33.23 H new ATOM 2442 N LEU A 153 -11.479 -6.855 -5.650 1.00 32.34 N ATOM 2443 CA LEU A 153 -11.549 -7.344 -7.042 1.00 1.34 C ATOM 2444 C LEU A 153 -12.277 -6.322 -7.960 1.00 31.42 C ATOM 2445 O LEU A 153 -12.747 -5.265 -7.494 1.00 23.21 O ATOM 2446 CB LEU A 153 -12.214 -8.754 -7.086 1.00 33.34 C ATOM 2447 CG LEU A 153 -11.446 -9.891 -6.323 1.00 74.12 C ATOM 2448 CD1 LEU A 153 -12.203 -11.234 -6.402 1.00 45.53 C ATOM 2449 CD2 LEU A 153 -9.988 -10.042 -6.836 1.00 41.13 C ATOM 0 H LEU A 153 -12.039 -7.397 -4.992 1.00 32.34 H new ATOM 0 HA LEU A 153 -10.535 -7.445 -7.429 1.00 1.34 H new ATOM 0 HB2 LEU A 153 -13.218 -8.675 -6.669 1.00 33.34 H new ATOM 0 HB3 LEU A 153 -12.324 -9.051 -8.129 1.00 33.34 H new ATOM 0 HG LEU A 153 -11.397 -9.597 -5.274 1.00 74.12 H new ATOM 0 HD11 LEU A 153 -11.644 -11.999 -5.864 1.00 45.53 H new ATOM 0 HD12 LEU A 153 -13.190 -11.122 -5.953 1.00 45.53 H new ATOM 0 HD13 LEU A 153 -12.311 -11.530 -7.445 1.00 45.53 H new ATOM 0 HD21 LEU A 153 -9.489 -10.838 -6.284 1.00 41.13 H new ATOM 0 HD22 LEU A 153 -10.000 -10.288 -7.898 1.00 41.13 H new ATOM 0 HD23 LEU A 153 -9.451 -9.105 -6.687 1.00 41.13 H new ATOM 2461 N GLU A 154 -12.359 -6.669 -9.253 1.00 30.14 N ATOM 2462 CA GLU A 154 -12.791 -5.763 -10.346 1.00 72.41 C ATOM 2463 C GLU A 154 -14.253 -5.337 -10.122 1.00 42.42 C ATOM 2464 O GLU A 154 -14.553 -4.154 -9.911 1.00 70.40 O ATOM 2465 CB GLU A 154 -12.641 -6.443 -11.764 1.00 40.30 C ATOM 2466 CG GLU A 154 -11.364 -7.302 -12.004 1.00 71.24 C ATOM 2467 CD GLU A 154 -11.416 -8.693 -11.342 1.00 53.23 C ATOM 2468 OE1 GLU A 154 -12.224 -9.539 -11.786 1.00 0.13 O ATOM 2469 OE2 GLU A 154 -10.700 -8.922 -10.344 1.00 73.41 O ATOM 0 H GLU A 154 -12.124 -7.605 -9.583 1.00 30.14 H new ATOM 0 HA GLU A 154 -12.144 -4.886 -10.328 1.00 72.41 H new ATOM 0 HB2 GLU A 154 -13.512 -7.077 -11.930 1.00 40.30 H new ATOM 0 HB3 GLU A 154 -12.669 -5.659 -12.521 1.00 40.30 H new ATOM 0 HG2 GLU A 154 -11.217 -7.426 -13.077 1.00 71.24 H new ATOM 0 HG3 GLU A 154 -10.497 -6.761 -11.624 1.00 71.24 H new ATOM 2476 N HIS A 155 -15.147 -6.336 -10.153 1.00 12.40 N ATOM 2477 CA HIS A 155 -16.567 -6.151 -9.827 1.00 55.21 C ATOM 2478 C HIS A 155 -16.736 -6.219 -8.290 1.00 32.51 C ATOM 2479 O HIS A 155 -16.168 -7.112 -7.641 1.00 24.41 O ATOM 2480 CB HIS A 155 -17.445 -7.222 -10.543 1.00 52.30 C ATOM 2481 CG HIS A 155 -17.308 -8.628 -10.005 1.00 50.20 C ATOM 2482 ND1 HIS A 155 -18.348 -9.304 -9.401 1.00 41.32 N ATOM 2483 CD2 HIS A 155 -16.250 -9.480 -9.976 1.00 22.00 C ATOM 2484 CE1 HIS A 155 -17.940 -10.496 -9.023 1.00 63.32 C ATOM 2485 NE2 HIS A 155 -16.671 -10.627 -9.355 1.00 60.14 N ATOM 0 H HIS A 155 -14.905 -7.294 -10.405 1.00 12.40 H new ATOM 0 HA HIS A 155 -16.902 -5.176 -10.182 1.00 55.21 H new ATOM 0 HB2 HIS A 155 -18.490 -6.921 -10.468 1.00 52.30 H new ATOM 0 HB3 HIS A 155 -17.190 -7.229 -11.603 1.00 52.30 H new ATOM 0 HD2 HIS A 155 -15.262 -9.289 -10.369 1.00 22.00 H new ATOM 0 HE1 HIS A 155 -18.543 -11.241 -8.525 1.00 63.32 H new ATOM 0 HE2 HIS A 155 -16.095 -11.450 -9.178 1.00 60.14 H new ATOM 2494 N HIS A 156 -17.465 -5.250 -7.725 1.00 53.21 N ATOM 2495 CA HIS A 156 -17.726 -5.146 -6.269 1.00 11.31 C ATOM 2496 C HIS A 156 -18.790 -4.063 -6.026 1.00 53.20 C ATOM 2497 O HIS A 156 -19.234 -3.403 -6.976 1.00 62.02 O ATOM 2498 CB HIS A 156 -16.418 -4.832 -5.467 1.00 45.02 C ATOM 2499 CG HIS A 156 -15.732 -3.550 -5.872 1.00 24.31 C ATOM 2500 ND1 HIS A 156 -14.986 -3.432 -7.027 1.00 13.42 N ATOM 2501 CD2 HIS A 156 -15.689 -2.327 -5.281 1.00 52.02 C ATOM 2502 CE1 HIS A 156 -14.518 -2.206 -7.124 1.00 41.20 C ATOM 2503 NE2 HIS A 156 -14.929 -1.516 -6.080 1.00 55.43 N ATOM 0 H HIS A 156 -17.900 -4.502 -8.266 1.00 53.21 H new ATOM 0 HA HIS A 156 -18.094 -6.107 -5.910 1.00 11.31 H new ATOM 0 HB2 HIS A 156 -16.660 -4.781 -4.406 1.00 45.02 H new ATOM 0 HB3 HIS A 156 -15.720 -5.660 -5.595 1.00 45.02 H new ATOM 0 HD1 HIS A 156 -14.823 -4.180 -7.701 1.00 13.42 H new ATOM 0 HD2 HIS A 156 -16.166 -2.047 -4.353 1.00 52.02 H new ATOM 0 HE1 HIS A 156 -13.900 -1.829 -7.926 1.00 41.20 H new ATOM 0 HE2 HIS A 156 -14.715 -0.536 -5.897 1.00 55.43 H new ATOM 2512 N HIS A 157 -19.181 -3.868 -4.751 1.00 53.42 N ATOM 2513 CA HIS A 157 -20.166 -2.835 -4.376 1.00 62.13 C ATOM 2514 C HIS A 157 -19.568 -1.424 -4.547 1.00 15.30 C ATOM 2515 O HIS A 157 -18.401 -1.182 -4.232 1.00 22.04 O ATOM 2516 CB HIS A 157 -20.678 -3.039 -2.925 1.00 41.03 C ATOM 2517 CG HIS A 157 -21.754 -2.063 -2.513 1.00 3.54 C ATOM 2518 ND1 HIS A 157 -23.064 -2.172 -2.928 1.00 34.44 N ATOM 2519 CD2 HIS A 157 -21.699 -0.938 -1.755 1.00 1.32 C ATOM 2520 CE1 HIS A 157 -23.764 -1.166 -2.441 1.00 64.34 C ATOM 2521 NE2 HIS A 157 -22.959 -0.406 -1.730 1.00 22.13 N ATOM 0 H HIS A 157 -18.829 -4.413 -3.964 1.00 53.42 H new ATOM 0 HA HIS A 157 -21.020 -2.933 -5.047 1.00 62.13 H new ATOM 0 HB2 HIS A 157 -21.064 -4.054 -2.826 1.00 41.03 H new ATOM 0 HB3 HIS A 157 -19.837 -2.949 -2.237 1.00 41.03 H new ATOM 0 HD2 HIS A 157 -20.824 -0.538 -1.264 1.00 1.32 H new ATOM 0 HE1 HIS A 157 -24.819 -0.995 -2.599 1.00 64.34 H new ATOM 0 HE2 HIS A 157 -23.231 0.445 -1.238 1.00 22.13 H new ATOM 2530 N HIS A 158 -20.401 -0.518 -5.055 1.00 34.32 N ATOM 2531 CA HIS A 158 -20.058 0.891 -5.289 1.00 23.30 C ATOM 2532 C HIS A 158 -21.280 1.766 -5.008 1.00 21.21 C ATOM 2533 O HIS A 158 -22.409 1.261 -4.940 1.00 11.14 O ATOM 2534 CB HIS A 158 -19.547 1.092 -6.744 1.00 73.14 C ATOM 2535 CG HIS A 158 -20.401 0.473 -7.829 1.00 50.45 C ATOM 2536 ND1 HIS A 158 -21.452 1.123 -8.446 1.00 60.12 N ATOM 2537 CD2 HIS A 158 -20.320 -0.740 -8.434 1.00 34.20 C ATOM 2538 CE1 HIS A 158 -21.970 0.337 -9.371 1.00 14.43 C ATOM 2539 NE2 HIS A 158 -21.301 -0.791 -9.382 1.00 72.02 N ATOM 0 H HIS A 158 -21.358 -0.745 -5.323 1.00 34.32 H new ATOM 0 HA HIS A 158 -19.255 1.185 -4.613 1.00 23.30 H new ATOM 0 HB2 HIS A 158 -19.466 2.162 -6.937 1.00 73.14 H new ATOM 0 HB3 HIS A 158 -18.542 0.678 -6.817 1.00 73.14 H new ATOM 0 HD2 HIS A 158 -19.610 -1.521 -8.207 1.00 34.20 H new ATOM 0 HE1 HIS A 158 -22.805 0.582 -10.011 1.00 14.43 H new ATOM 0 HE2 HIS A 158 -21.485 -1.581 -10.001 1.00 72.02 H new ATOM 2548 N HIS A 159 -21.047 3.077 -4.821 1.00 64.00 N ATOM 2549 CA HIS A 159 -22.142 4.046 -4.630 1.00 1.23 C ATOM 2550 C HIS A 159 -22.906 4.206 -5.969 1.00 4.41 C ATOM 2551 O HIS A 159 -22.332 4.657 -6.968 1.00 22.21 O ATOM 2552 CB HIS A 159 -21.617 5.408 -4.065 1.00 52.11 C ATOM 2553 CG HIS A 159 -20.737 6.204 -4.994 1.00 1.13 C ATOM 2554 ND1 HIS A 159 -21.224 7.230 -5.780 1.00 34.22 N ATOM 2555 CD2 HIS A 159 -19.412 6.115 -5.283 1.00 10.40 C ATOM 2556 CE1 HIS A 159 -20.249 7.728 -6.502 1.00 23.03 C ATOM 2557 NE2 HIS A 159 -19.143 7.068 -6.224 1.00 23.32 N ATOM 0 H HIS A 159 -20.114 3.489 -4.798 1.00 64.00 H new ATOM 0 HA HIS A 159 -22.837 3.670 -3.879 1.00 1.23 H new ATOM 0 HB2 HIS A 159 -22.475 6.022 -3.792 1.00 52.11 H new ATOM 0 HB3 HIS A 159 -21.062 5.210 -3.148 1.00 52.11 H new ATOM 0 HD2 HIS A 159 -18.705 5.422 -4.851 1.00 10.40 H new ATOM 0 HE1 HIS A 159 -20.338 8.542 -7.206 1.00 23.03 H new ATOM 0 HE2 HIS A 159 -18.230 7.241 -6.645 1.00 23.32 H new ATOM 2566 N HIS A 160 -24.179 3.740 -5.973 1.00 3.22 N ATOM 2567 CA HIS A 160 -25.068 3.700 -7.157 1.00 3.23 C ATOM 2568 C HIS A 160 -24.501 2.705 -8.204 1.00 10.13 C ATOM 2569 O HIS A 160 -23.759 3.127 -9.118 1.00 11.33 O ATOM 2570 CB HIS A 160 -25.346 5.125 -7.745 1.00 31.53 C ATOM 2571 CG HIS A 160 -26.154 6.020 -6.843 1.00 24.22 C ATOM 2572 ND1 HIS A 160 -27.309 6.652 -7.247 1.00 14.30 N ATOM 2573 CD2 HIS A 160 -25.958 6.396 -5.557 1.00 41.33 C ATOM 2574 CE1 HIS A 160 -27.784 7.374 -6.254 1.00 31.40 C ATOM 2575 NE2 HIS A 160 -26.983 7.237 -5.217 1.00 42.24 N ATOM 2576 OXT HIS A 160 -24.764 1.484 -8.062 1.00 38.52 O ATOM 0 H HIS A 160 -24.625 3.373 -5.132 1.00 3.22 H new ATOM 0 HA HIS A 160 -26.046 3.333 -6.846 1.00 3.23 H new ATOM 0 HB2 HIS A 160 -24.393 5.609 -7.959 1.00 31.53 H new ATOM 0 HB3 HIS A 160 -25.870 5.018 -8.695 1.00 31.53 H new ATOM 0 HD2 HIS A 160 -25.143 6.089 -4.918 1.00 41.33 H new ATOM 0 HE1 HIS A 160 -28.679 7.977 -6.284 1.00 31.40 H new ATOM 0 HE2 HIS A 160 -27.107 7.685 -4.309 1.00 42.24 H new TER 2585 HIS A 160