USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 962 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 89 ASN :FLIP amide:sc= -1.9! C(o=-3.1!,f=-2.8!) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= -0.932 F(o=-5.8!,f=-2.8) USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0.56 USER MOD Set 2.2: A 84 THR OG1 : rot -75:sc= 0.63 USER MOD Set 3.1: A 37 GLN : amide:sc= -2.55! C(o=-1.3!,f=-3.8!) USER MOD Set 3.2: A 87 SER OG : rot 176:sc= 1.28 USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0.293 USER MOD Set 4.2: A 32 SER OG : rot -106:sc= -0.113 USER MOD Set 5.1: A 17 TYR OH : rot 146:sc= 1.16 USER MOD Set 5.2: A 29 HIS : no HD1:sc= 0.0373 K(o=1.2,f=-2.4) USER MOD Set 5.3: A 65 SER OG : rot -150:sc= -0.0378 USER MOD Set 6.1: A 14 THR OG1 : rot 180:sc= -0.411 USER MOD Set 6.2: A 16 HIS : no HD1:sc= -0.733 K(o=-1.1,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.22 K(o=-1.2,f=-5!) USER MOD Single : A 13 GLN : amide:sc= -1.78! X(o=-1.8!,f=-2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0157) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00552 (180deg=-0.159) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.608 F(o=-1.8!,f=-0.61) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= -0.299 (180deg=-0.321) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.0413 K(o=-0.041,f=-4.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00743 USER MOD Single : A 102 TYR OH : rot -5:sc= -0.967 USER MOD Single : A 103 SER OG : rot 43:sc= 0.329 USER MOD Single : A 105 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.4!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.48) USER MOD Single : A 110 ASN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -112:sc= 0.518 (180deg=0.229) USER MOD Single : A 117 HIS : no HD1:sc=-0.00133 X(o=-0.0013,f=0) USER MOD Single : A 118 HIS : no HE2:sc= -0.433 X(o=-0.43,f=-0.47) USER MOD Single : A 119 HIS : no HE2:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 122 HIS : no HD1:sc=-0.00767 X(o=-0.0077,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.557 -29.567 0.999 1.00 0.00 N ATOM 2 CA MET A 1 19.087 -29.350 1.064 1.00 0.00 C ATOM 3 C MET A 1 18.763 -27.849 1.053 1.00 0.00 C ATOM 4 O MET A 1 19.408 -27.054 1.752 1.00 0.00 O ATOM 5 CB MET A 1 18.479 -30.037 2.317 1.00 0.00 C ATOM 6 CG MET A 1 16.959 -29.855 2.488 1.00 0.00 C ATOM 7 SD MET A 1 16.016 -30.448 1.062 1.00 0.00 S ATOM 8 CE MET A 1 14.327 -30.126 1.577 1.00 0.00 C ATOM 0 H1 MET A 1 20.758 -30.587 1.007 1.00 0.00 H new ATOM 0 H2 MET A 1 20.931 -29.148 0.124 1.00 0.00 H new ATOM 0 H3 MET A 1 21.011 -29.118 1.820 1.00 0.00 H new ATOM 0 HA MET A 1 18.637 -29.804 0.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.699 -31.104 2.270 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.978 -29.647 3.204 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.632 -30.388 3.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.740 -28.799 2.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.645 -30.377 0.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.091 -30.734 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.218 -29.071 1.829 1.00 0.00 H new ATOM 20 N ILE A 2 17.759 -27.484 0.242 1.00 0.00 N ATOM 21 CA ILE A 2 17.243 -26.113 0.099 1.00 0.00 C ATOM 22 C ILE A 2 15.731 -26.138 0.425 1.00 0.00 C ATOM 23 O ILE A 2 15.093 -27.192 0.308 1.00 0.00 O ATOM 24 CB ILE A 2 17.458 -25.594 -1.389 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.956 -25.677 -1.837 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.932 -24.161 -1.570 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.911 -24.735 -1.114 1.00 0.00 C ATOM 0 H ILE A 2 17.269 -28.154 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 2 17.773 -25.443 0.776 1.00 0.00 H new ATOM 0 HB ILE A 2 16.880 -26.260 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.304 -26.700 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 2 19.009 -25.470 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.096 -23.840 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.865 -24.134 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.461 -23.491 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.921 -24.874 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.598 -23.704 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.898 -24.953 -0.046 1.00 0.00 H new ATOM 39 N GLU A 3 15.155 -24.988 0.816 1.00 0.00 N ATOM 40 CA GLU A 3 13.699 -24.836 0.993 1.00 0.00 C ATOM 41 C GLU A 3 13.256 -23.514 0.336 1.00 0.00 C ATOM 42 O GLU A 3 14.039 -22.565 0.315 1.00 0.00 O ATOM 43 CB GLU A 3 13.302 -24.854 2.500 1.00 0.00 C ATOM 44 CG GLU A 3 13.546 -23.536 3.265 1.00 0.00 C ATOM 45 CD GLU A 3 13.024 -23.540 4.711 1.00 0.00 C ATOM 46 OE1 GLU A 3 12.070 -24.282 5.025 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.533 -22.764 5.527 1.00 0.00 O ATOM 0 H GLU A 3 15.683 -24.139 1.018 1.00 0.00 H new ATOM 0 HA GLU A 3 13.195 -25.677 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.245 -25.108 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.858 -25.650 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.616 -23.329 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.070 -22.720 2.721 1.00 0.00 H new ATOM 54 N PRO A 4 12.024 -23.423 -0.243 1.00 0.00 N ATOM 55 CA PRO A 4 11.489 -22.129 -0.717 1.00 0.00 C ATOM 56 C PRO A 4 10.949 -21.270 0.460 1.00 0.00 C ATOM 57 O PRO A 4 10.074 -21.705 1.224 1.00 0.00 O ATOM 58 CB PRO A 4 10.369 -22.566 -1.686 1.00 0.00 C ATOM 59 CG PRO A 4 9.895 -23.887 -1.162 1.00 0.00 C ATOM 60 CD PRO A 4 11.104 -24.558 -0.549 1.00 0.00 C ATOM 0 HA PRO A 4 12.236 -21.492 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.559 -21.837 -1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.743 -22.657 -2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.108 -23.751 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.477 -24.496 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.840 -25.113 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.560 -25.268 -1.239 1.00 0.00 H new ATOM 68 N ILE A 5 11.472 -20.036 0.588 1.00 0.00 N ATOM 69 CA ILE A 5 11.075 -19.078 1.651 1.00 0.00 C ATOM 70 C ILE A 5 10.489 -17.803 1.030 1.00 0.00 C ATOM 71 O ILE A 5 10.545 -17.617 -0.193 1.00 0.00 O ATOM 72 CB ILE A 5 12.287 -18.699 2.591 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.474 -18.096 1.776 1.00 0.00 C ATOM 74 CG2 ILE A 5 12.740 -19.913 3.420 1.00 0.00 C ATOM 75 CD1 ILE A 5 14.699 -17.688 2.591 1.00 0.00 C ATOM 0 H ILE A 5 12.185 -19.669 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 5 10.318 -19.572 2.261 1.00 0.00 H new ATOM 0 HB ILE A 5 11.943 -17.930 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.785 -18.826 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.112 -17.221 1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.575 -19.626 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.913 -20.260 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.054 -20.714 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.461 -17.283 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.414 -16.930 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.098 -18.560 3.110 1.00 0.00 H new ATOM 87 N LYS A 6 9.916 -16.940 1.889 1.00 0.00 N ATOM 88 CA LYS A 6 9.342 -15.647 1.477 1.00 0.00 C ATOM 89 C LYS A 6 9.072 -14.762 2.703 1.00 0.00 C ATOM 90 O LYS A 6 8.678 -15.263 3.752 1.00 0.00 O ATOM 91 CB LYS A 6 8.038 -15.809 0.626 1.00 0.00 C ATOM 92 CG LYS A 6 6.780 -16.331 1.365 1.00 0.00 C ATOM 93 CD LYS A 6 6.837 -17.825 1.741 1.00 0.00 C ATOM 94 CE LYS A 6 6.828 -18.758 0.520 1.00 0.00 C ATOM 95 NZ LYS A 6 6.852 -20.198 0.917 1.00 0.00 N ATOM 0 H LYS A 6 9.838 -17.121 2.890 1.00 0.00 H new ATOM 0 HA LYS A 6 10.082 -15.163 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.797 -14.841 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.253 -16.488 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.638 -15.745 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.907 -16.160 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.738 -18.012 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.987 -18.065 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.939 -18.562 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.691 -18.541 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.845 -20.793 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.713 -20.392 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.015 -20.413 1.496 1.00 0.00 H new ATOM 109 N ARG A 7 9.314 -13.447 2.559 1.00 0.00 N ATOM 110 CA ARG A 7 8.922 -12.426 3.554 1.00 0.00 C ATOM 111 C ARG A 7 7.698 -11.651 3.048 1.00 0.00 C ATOM 112 O ARG A 7 7.314 -11.772 1.878 1.00 0.00 O ATOM 113 CB ARG A 7 10.098 -11.450 3.842 1.00 0.00 C ATOM 114 CG ARG A 7 11.250 -12.067 4.659 1.00 0.00 C ATOM 115 CD ARG A 7 12.337 -11.044 5.028 1.00 0.00 C ATOM 116 NE ARG A 7 11.817 -9.985 5.906 1.00 0.00 N ATOM 117 CZ ARG A 7 12.441 -8.833 6.192 1.00 0.00 C ATOM 118 NH1 ARG A 7 13.643 -8.558 5.683 1.00 0.00 N ATOM 119 NH2 ARG A 7 11.837 -7.949 6.984 1.00 0.00 N ATOM 0 H ARG A 7 9.790 -13.058 1.745 1.00 0.00 H new ATOM 0 HA ARG A 7 8.667 -12.930 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.494 -11.088 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.712 -10.583 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.847 -12.506 5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.701 -12.878 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.163 -11.554 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.739 -10.597 4.119 1.00 0.00 H new ATOM 0 HE ARG A 7 10.904 -10.140 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.101 -9.229 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.104 -7.677 5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.913 -8.153 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.299 -7.068 7.211 1.00 0.00 H new ATOM 133 N THR A 8 7.098 -10.844 3.933 1.00 0.00 N ATOM 134 CA THR A 8 5.877 -10.089 3.646 1.00 0.00 C ATOM 135 C THR A 8 6.166 -8.586 3.818 1.00 0.00 C ATOM 136 O THR A 8 6.378 -8.119 4.944 1.00 0.00 O ATOM 137 CB THR A 8 4.734 -10.537 4.618 1.00 0.00 C ATOM 138 OG1 THR A 8 4.572 -11.967 4.552 1.00 0.00 O ATOM 139 CG2 THR A 8 3.392 -9.855 4.305 1.00 0.00 C ATOM 0 H THR A 8 7.453 -10.697 4.878 1.00 0.00 H new ATOM 0 HA THR A 8 5.555 -10.281 2.622 1.00 0.00 H new ATOM 0 HB THR A 8 5.029 -10.233 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.857 -12.244 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.635 -10.201 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.503 -8.774 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.085 -10.105 3.289 1.00 0.00 H new ATOM 147 N GLN A 9 6.221 -7.842 2.701 1.00 0.00 N ATOM 148 CA GLN A 9 6.414 -6.386 2.734 1.00 0.00 C ATOM 149 C GLN A 9 5.089 -5.707 2.405 1.00 0.00 C ATOM 150 O GLN A 9 4.702 -5.633 1.244 1.00 0.00 O ATOM 151 CB GLN A 9 7.526 -5.951 1.739 1.00 0.00 C ATOM 152 CG GLN A 9 7.945 -4.457 1.782 1.00 0.00 C ATOM 153 CD GLN A 9 8.604 -4.003 3.103 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.284 -4.478 4.190 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.560 -3.100 3.018 1.00 0.00 N ATOM 0 H GLN A 9 6.134 -8.229 1.761 1.00 0.00 H new ATOM 0 HA GLN A 9 6.737 -6.084 3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.410 -6.559 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.190 -6.183 0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.638 -4.266 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.063 -3.842 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.817 -2.713 2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.043 -2.788 3.860 1.00 0.00 H new ATOM 164 N VAL A 10 4.377 -5.250 3.439 1.00 0.00 N ATOM 165 CA VAL A 10 3.112 -4.539 3.252 1.00 0.00 C ATOM 166 C VAL A 10 3.394 -3.035 3.110 1.00 0.00 C ATOM 167 O VAL A 10 4.146 -2.468 3.909 1.00 0.00 O ATOM 168 CB VAL A 10 2.086 -4.817 4.418 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.692 -6.311 4.468 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.611 -4.340 5.793 1.00 0.00 C ATOM 0 H VAL A 10 4.656 -5.360 4.414 1.00 0.00 H new ATOM 0 HA VAL A 10 2.644 -4.911 2.341 1.00 0.00 H new ATOM 0 HB VAL A 10 1.194 -4.232 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.984 -6.474 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.231 -6.598 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.583 -6.917 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.868 -4.555 6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.538 -4.862 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.798 -3.267 5.759 1.00 0.00 H new ATOM 180 N VAL A 11 2.867 -2.405 2.041 1.00 0.00 N ATOM 181 CA VAL A 11 2.938 -0.940 1.874 1.00 0.00 C ATOM 182 C VAL A 11 1.593 -0.352 2.313 1.00 0.00 C ATOM 183 O VAL A 11 0.548 -0.649 1.712 1.00 0.00 O ATOM 184 CB VAL A 11 3.315 -0.519 0.408 1.00 0.00 C ATOM 185 CG1 VAL A 11 3.270 1.013 0.229 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.706 -1.070 0.030 1.00 0.00 C ATOM 0 H VAL A 11 2.388 -2.888 1.281 1.00 0.00 H new ATOM 0 HA VAL A 11 3.739 -0.542 2.497 1.00 0.00 H new ATOM 0 HB VAL A 11 2.573 -0.951 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.536 1.267 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.264 1.375 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.977 1.480 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.952 -0.769 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.454 -0.672 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.696 -2.158 0.095 1.00 0.00 H new ATOM 196 N THR A 12 1.644 0.455 3.378 1.00 0.00 N ATOM 197 CA THR A 12 0.472 0.836 4.164 1.00 0.00 C ATOM 198 C THR A 12 0.029 2.281 3.853 1.00 0.00 C ATOM 199 O THR A 12 0.681 3.251 4.261 1.00 0.00 O ATOM 200 CB THR A 12 0.823 0.667 5.675 1.00 0.00 C ATOM 201 OG1 THR A 12 1.349 -0.659 5.888 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.378 0.885 6.599 1.00 0.00 C ATOM 0 H THR A 12 2.513 0.866 3.720 1.00 0.00 H new ATOM 0 HA THR A 12 -0.368 0.192 3.904 1.00 0.00 H new ATOM 0 HB THR A 12 1.560 1.431 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.574 -0.774 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.068 0.753 7.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.764 1.895 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.158 0.162 6.359 1.00 0.00 H new ATOM 210 N GLN A 13 -1.068 2.407 3.096 1.00 0.00 N ATOM 211 CA GLN A 13 -1.675 3.698 2.755 1.00 0.00 C ATOM 212 C GLN A 13 -2.740 4.053 3.792 1.00 0.00 C ATOM 213 O GLN A 13 -3.863 3.527 3.752 1.00 0.00 O ATOM 214 CB GLN A 13 -2.315 3.631 1.348 1.00 0.00 C ATOM 215 CG GLN A 13 -1.413 3.061 0.258 1.00 0.00 C ATOM 216 CD GLN A 13 -0.131 3.847 0.030 1.00 0.00 C ATOM 217 OE1 GLN A 13 0.904 3.581 0.645 1.00 0.00 O ATOM 218 NE2 GLN A 13 -0.185 4.810 -0.865 1.00 0.00 N ATOM 0 H GLN A 13 -1.563 1.608 2.700 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.901 4.466 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.219 3.025 1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.622 4.635 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.154 2.034 0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.973 3.022 -0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.059 5.002 -1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.647 5.364 -1.069 1.00 0.00 H new ATOM 227 N THR A 14 -2.375 4.906 4.747 1.00 0.00 N ATOM 228 CA THR A 14 -3.336 5.450 5.707 1.00 0.00 C ATOM 229 C THR A 14 -4.121 6.596 5.027 1.00 0.00 C ATOM 230 O THR A 14 -3.574 7.682 4.817 1.00 0.00 O ATOM 231 CB THR A 14 -2.589 5.942 6.996 1.00 0.00 C ATOM 232 OG1 THR A 14 -1.619 6.947 6.660 1.00 0.00 O ATOM 233 CG2 THR A 14 -1.871 4.786 7.719 1.00 0.00 C ATOM 0 H THR A 14 -1.419 5.237 4.878 1.00 0.00 H new ATOM 0 HA THR A 14 -4.042 4.679 6.017 1.00 0.00 H new ATOM 0 HB THR A 14 -3.345 6.356 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.162 7.246 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.366 5.169 8.606 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.601 4.032 8.014 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.137 4.338 7.049 1.00 0.00 H new ATOM 241 N ILE A 15 -5.384 6.330 4.632 1.00 0.00 N ATOM 242 CA ILE A 15 -6.267 7.350 4.019 1.00 0.00 C ATOM 243 C ILE A 15 -7.143 7.975 5.127 1.00 0.00 C ATOM 244 O ILE A 15 -7.715 7.271 5.972 1.00 0.00 O ATOM 245 CB ILE A 15 -7.140 6.771 2.814 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.347 6.801 1.458 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.480 7.525 2.640 1.00 0.00 C ATOM 248 CD1 ILE A 15 -5.044 6.021 1.426 1.00 0.00 C ATOM 0 H ILE A 15 -5.819 5.412 4.727 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.646 8.124 3.568 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.361 5.736 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.997 6.415 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.130 7.840 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.035 7.092 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.068 7.437 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.282 8.577 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.587 6.116 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.364 6.417 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.244 4.970 1.634 1.00 0.00 H new ATOM 260 N HIS A 16 -7.211 9.311 5.121 1.00 0.00 N ATOM 261 CA HIS A 16 -7.889 10.103 6.145 1.00 0.00 C ATOM 262 C HIS A 16 -8.992 10.925 5.473 1.00 0.00 C ATOM 263 O HIS A 16 -8.708 11.723 4.578 1.00 0.00 O ATOM 264 CB HIS A 16 -6.867 11.036 6.866 1.00 0.00 C ATOM 265 CG HIS A 16 -5.719 10.309 7.547 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.591 10.184 8.917 1.00 0.00 N ATOM 267 CD2 HIS A 16 -4.635 9.677 7.027 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.492 9.505 9.202 1.00 0.00 C ATOM 269 NE2 HIS A 16 -3.897 9.189 8.073 1.00 0.00 N ATOM 0 H HIS A 16 -6.787 9.880 4.388 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.330 9.447 6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.456 11.735 6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.398 11.628 7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.398 9.577 5.978 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.143 9.253 10.193 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.026 8.665 7.989 1.00 0.00 H new ATOM 278 N TYR A 17 -10.247 10.716 5.876 1.00 0.00 N ATOM 279 CA TYR A 17 -11.376 11.456 5.317 1.00 0.00 C ATOM 280 C TYR A 17 -11.625 12.692 6.153 1.00 0.00 C ATOM 281 O TYR A 17 -11.916 12.584 7.346 1.00 0.00 O ATOM 282 CB TYR A 17 -12.631 10.560 5.284 1.00 0.00 C ATOM 283 CG TYR A 17 -12.453 9.306 4.435 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.120 9.411 3.097 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.571 8.028 4.964 1.00 0.00 C ATOM 286 CE1 TYR A 17 -11.920 8.305 2.312 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.362 6.914 4.183 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.038 7.056 2.858 1.00 0.00 C ATOM 289 OH TYR A 17 -11.816 5.951 2.091 1.00 0.00 O ATOM 0 H TYR A 17 -10.506 10.036 6.591 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.146 11.758 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.888 10.268 6.302 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.471 11.137 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.014 10.392 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.831 7.906 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.670 8.419 1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.453 5.928 4.614 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.408 5.249 2.639 1.00 0.00 H new ATOM 299 N ARG A 18 -11.461 13.864 5.535 1.00 0.00 N ATOM 300 CA ARG A 18 -11.753 15.157 6.164 1.00 0.00 C ATOM 301 C ARG A 18 -12.368 16.096 5.131 1.00 0.00 C ATOM 302 O ARG A 18 -12.128 15.935 3.949 1.00 0.00 O ATOM 303 CB ARG A 18 -10.485 15.806 6.774 1.00 0.00 C ATOM 304 CG ARG A 18 -9.811 15.000 7.901 1.00 0.00 C ATOM 305 CD ARG A 18 -8.799 15.838 8.674 1.00 0.00 C ATOM 306 NE ARG A 18 -7.778 16.456 7.797 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.570 17.781 7.647 1.00 0.00 C ATOM 308 NH1 ARG A 18 -8.293 18.665 8.340 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.644 18.202 6.789 1.00 0.00 N ATOM 0 H ARG A 18 -11.119 13.944 4.577 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.456 14.982 6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.758 15.963 5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.751 16.789 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.573 14.628 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.312 14.129 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.324 16.621 9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.304 15.210 9.414 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.181 15.826 7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.010 18.341 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.128 19.664 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.100 17.526 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.478 19.201 6.667 1.00 0.00 H new ATOM 323 N TYR A 19 -13.142 17.080 5.608 1.00 0.00 N ATOM 324 CA TYR A 19 -13.800 18.094 4.771 1.00 0.00 C ATOM 325 C TYR A 19 -12.823 19.221 4.398 1.00 0.00 C ATOM 326 O TYR A 19 -11.716 19.302 4.945 1.00 0.00 O ATOM 327 CB TYR A 19 -15.029 18.681 5.524 1.00 0.00 C ATOM 328 CG TYR A 19 -16.081 17.631 5.935 1.00 0.00 C ATOM 329 CD1 TYR A 19 -15.870 16.797 7.035 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.274 17.467 5.227 1.00 0.00 C ATOM 331 CE1 TYR A 19 -16.794 15.852 7.411 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.207 16.513 5.606 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.958 15.710 6.702 1.00 0.00 C ATOM 334 OH TYR A 19 -18.871 14.756 7.095 1.00 0.00 O ATOM 0 H TYR A 19 -13.332 17.196 6.603 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.133 17.616 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.680 19.198 6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.506 19.428 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.958 16.897 7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.473 18.093 4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.603 15.221 8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.124 16.399 5.047 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.645 14.777 6.495 1.00 0.00 H new ATOM 344 N GLU A 20 -13.265 20.102 3.479 1.00 0.00 N ATOM 345 CA GLU A 20 -12.530 21.337 3.124 1.00 0.00 C ATOM 346 C GLU A 20 -12.480 22.288 4.335 1.00 0.00 C ATOM 347 O GLU A 20 -11.542 23.067 4.494 1.00 0.00 O ATOM 348 CB GLU A 20 -13.182 22.049 1.902 1.00 0.00 C ATOM 349 CG GLU A 20 -14.633 22.515 2.130 1.00 0.00 C ATOM 350 CD GLU A 20 -15.145 23.477 1.048 1.00 0.00 C ATOM 351 OE1 GLU A 20 -14.570 24.580 0.892 1.00 0.00 O ATOM 352 OE2 GLU A 20 -16.121 23.146 0.352 1.00 0.00 O ATOM 0 H GLU A 20 -14.137 19.981 2.963 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.513 21.060 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.574 22.914 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.162 21.370 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.285 21.642 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.701 23.005 3.102 1.00 0.00 H new ATOM 359 N ASP A 21 -13.504 22.162 5.189 1.00 0.00 N ATOM 360 CA ASP A 21 -13.652 22.907 6.445 1.00 0.00 C ATOM 361 C ASP A 21 -12.539 22.550 7.459 1.00 0.00 C ATOM 362 O ASP A 21 -12.271 23.326 8.387 1.00 0.00 O ATOM 363 CB ASP A 21 -15.054 22.574 7.026 1.00 0.00 C ATOM 364 CG ASP A 21 -15.376 23.315 8.336 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.682 24.528 8.286 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.319 22.688 9.421 1.00 0.00 O ATOM 0 H ASP A 21 -14.277 21.518 5.019 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.560 23.976 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.813 22.822 6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.118 21.500 7.202 1.00 0.00 H new ATOM 371 N GLY A 22 -11.875 21.396 7.251 1.00 0.00 N ATOM 372 CA GLY A 22 -10.852 20.897 8.177 1.00 0.00 C ATOM 373 C GLY A 22 -11.417 19.905 9.187 1.00 0.00 C ATOM 374 O GLY A 22 -10.657 19.232 9.895 1.00 0.00 O ATOM 0 H GLY A 22 -12.034 20.793 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.054 20.419 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.405 21.738 8.708 1.00 0.00 H new ATOM 378 N ALA A 23 -12.763 19.819 9.246 1.00 0.00 N ATOM 379 CA ALA A 23 -13.487 18.850 10.086 1.00 0.00 C ATOM 380 C ALA A 23 -13.175 17.409 9.643 1.00 0.00 C ATOM 381 O ALA A 23 -12.949 17.172 8.464 1.00 0.00 O ATOM 382 CB ALA A 23 -14.993 19.119 10.001 1.00 0.00 C ATOM 0 H ALA A 23 -13.380 20.426 8.706 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.161 18.966 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.527 18.401 10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.203 20.129 10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.323 19.019 8.967 1.00 0.00 H new ATOM 388 N VAL A 24 -13.171 16.456 10.585 1.00 0.00 N ATOM 389 CA VAL A 24 -12.854 15.047 10.290 1.00 0.00 C ATOM 390 C VAL A 24 -14.138 14.264 9.959 1.00 0.00 C ATOM 391 O VAL A 24 -15.124 14.347 10.690 1.00 0.00 O ATOM 392 CB VAL A 24 -12.104 14.367 11.495 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.728 12.909 11.168 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.859 15.186 11.903 1.00 0.00 C ATOM 0 H VAL A 24 -13.385 16.635 11.566 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.193 15.029 9.423 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.786 14.348 12.345 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.211 12.467 12.020 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.632 12.339 10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.074 12.889 10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.358 14.695 12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.174 15.253 11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.165 16.188 12.202 1.00 0.00 H new ATOM 404 N ALA A 25 -14.125 13.529 8.836 1.00 0.00 N ATOM 405 CA ALA A 25 -15.202 12.588 8.483 1.00 0.00 C ATOM 406 C ALA A 25 -14.904 11.206 9.095 1.00 0.00 C ATOM 407 O ALA A 25 -15.650 10.738 9.952 1.00 0.00 O ATOM 408 CB ALA A 25 -15.367 12.504 6.951 1.00 0.00 C ATOM 0 H ALA A 25 -13.372 13.569 8.149 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.145 12.949 8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.167 11.804 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.616 13.490 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.435 12.159 6.503 1.00 0.00 H new ATOM 414 N HIS A 26 -13.759 10.609 8.698 1.00 0.00 N ATOM 415 CA HIS A 26 -13.292 9.262 9.135 1.00 0.00 C ATOM 416 C HIS A 26 -11.786 9.117 8.798 1.00 0.00 C ATOM 417 O HIS A 26 -11.430 8.676 7.703 1.00 0.00 O ATOM 418 CB HIS A 26 -14.101 8.102 8.450 1.00 0.00 C ATOM 419 CG HIS A 26 -15.451 7.787 9.046 1.00 0.00 C ATOM 420 ND1 HIS A 26 -15.611 7.005 10.168 1.00 0.00 N ATOM 421 CD2 HIS A 26 -16.706 8.141 8.662 1.00 0.00 C ATOM 422 CE1 HIS A 26 -16.895 6.889 10.448 1.00 0.00 C ATOM 423 NE2 HIS A 26 -17.579 7.569 9.552 1.00 0.00 N ATOM 0 H HIS A 26 -13.113 11.057 8.048 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.455 9.181 10.210 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.242 8.357 7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.494 7.197 8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.967 8.757 7.814 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.314 6.331 11.272 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.595 7.656 9.524 1.00 0.00 H new ATOM 432 N ASP A 27 -10.897 9.484 9.730 1.00 0.00 N ATOM 433 CA ASP A 27 -9.442 9.596 9.440 1.00 0.00 C ATOM 434 C ASP A 27 -8.657 8.286 9.723 1.00 0.00 C ATOM 435 O ASP A 27 -7.440 8.335 9.947 1.00 0.00 O ATOM 436 CB ASP A 27 -8.835 10.788 10.240 1.00 0.00 C ATOM 437 CG ASP A 27 -8.720 10.531 11.756 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.768 10.426 12.431 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.585 10.422 12.274 1.00 0.00 O ATOM 0 H ASP A 27 -11.149 9.710 10.692 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.342 9.781 8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.845 11.012 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.451 11.673 10.077 1.00 0.00 H new ATOM 444 N ASP A 28 -9.305 7.109 9.620 1.00 0.00 N ATOM 445 CA ASP A 28 -8.690 5.825 10.063 1.00 0.00 C ATOM 446 C ASP A 28 -8.814 4.722 8.984 1.00 0.00 C ATOM 447 O ASP A 28 -8.688 3.528 9.279 1.00 0.00 O ATOM 448 CB ASP A 28 -9.354 5.404 11.410 1.00 0.00 C ATOM 449 CG ASP A 28 -8.658 4.235 12.140 1.00 0.00 C ATOM 450 OD1 ASP A 28 -7.471 4.372 12.504 1.00 0.00 O ATOM 451 OD2 ASP A 28 -9.298 3.179 12.369 1.00 0.00 O ATOM 0 H ASP A 28 -10.246 7.012 9.239 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.620 5.966 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.374 6.268 12.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.390 5.127 11.217 1.00 0.00 H new ATOM 456 N HIS A 29 -9.001 5.105 7.707 1.00 0.00 N ATOM 457 CA HIS A 29 -9.239 4.118 6.628 1.00 0.00 C ATOM 458 C HIS A 29 -7.905 3.695 5.983 1.00 0.00 C ATOM 459 O HIS A 29 -7.487 4.213 4.947 1.00 0.00 O ATOM 460 CB HIS A 29 -10.252 4.649 5.588 1.00 0.00 C ATOM 461 CG HIS A 29 -10.959 3.553 4.819 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.136 3.561 3.456 1.00 0.00 N ATOM 463 CD2 HIS A 29 -11.553 2.412 5.257 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.802 2.484 3.090 1.00 0.00 C ATOM 465 NE2 HIS A 29 -12.065 1.773 4.160 1.00 0.00 N ATOM 0 H HIS A 29 -8.993 6.076 7.396 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.688 3.228 7.068 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.995 5.262 6.097 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.731 5.298 4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.610 2.072 6.281 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.084 2.230 2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.570 0.887 4.173 1.00 0.00 H new ATOM 474 N VAL A 30 -7.251 2.761 6.661 1.00 0.00 N ATOM 475 CA VAL A 30 -5.918 2.263 6.337 1.00 0.00 C ATOM 476 C VAL A 30 -6.020 0.981 5.492 1.00 0.00 C ATOM 477 O VAL A 30 -6.715 0.039 5.877 1.00 0.00 O ATOM 478 CB VAL A 30 -5.161 1.964 7.686 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.741 1.439 7.443 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.150 3.209 8.606 1.00 0.00 C ATOM 0 H VAL A 30 -7.650 2.311 7.485 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.372 3.008 5.758 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.711 1.173 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.256 1.246 8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.788 0.515 6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.168 2.183 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.621 2.974 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.646 4.032 8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.175 3.499 8.838 1.00 0.00 H new ATOM 490 N VAL A 31 -5.328 0.959 4.342 1.00 0.00 N ATOM 491 CA VAL A 31 -5.193 -0.238 3.486 1.00 0.00 C ATOM 492 C VAL A 31 -3.698 -0.579 3.359 1.00 0.00 C ATOM 493 O VAL A 31 -2.850 0.307 3.462 1.00 0.00 O ATOM 494 CB VAL A 31 -5.842 -0.014 2.065 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.129 1.096 1.258 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.943 -1.331 1.249 1.00 0.00 C ATOM 0 H VAL A 31 -4.841 1.776 3.974 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.727 -1.070 3.946 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.860 0.330 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.614 1.210 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.186 2.037 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.084 0.824 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.396 -1.124 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.946 -1.746 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.558 -2.049 1.791 1.00 0.00 H new ATOM 506 N SER A 32 -3.388 -1.869 3.189 1.00 0.00 N ATOM 507 CA SER A 32 -2.018 -2.359 2.983 1.00 0.00 C ATOM 508 C SER A 32 -2.035 -3.445 1.906 1.00 0.00 C ATOM 509 O SER A 32 -2.972 -4.250 1.847 1.00 0.00 O ATOM 510 CB SER A 32 -1.425 -2.921 4.300 1.00 0.00 C ATOM 511 OG SER A 32 -1.371 -1.933 5.311 1.00 0.00 O ATOM 0 H SER A 32 -4.088 -2.611 3.190 1.00 0.00 H new ATOM 0 HA SER A 32 -1.388 -1.529 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.030 -3.760 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.423 -3.306 4.113 1.00 0.00 H new ATOM 0 HG SER A 32 -0.444 -1.641 5.433 1.00 0.00 H new ATOM 517 N LEU A 33 -1.015 -3.454 1.041 1.00 0.00 N ATOM 518 CA LEU A 33 -0.849 -4.504 0.018 1.00 0.00 C ATOM 519 C LEU A 33 0.360 -5.370 0.352 1.00 0.00 C ATOM 520 O LEU A 33 1.435 -4.852 0.631 1.00 0.00 O ATOM 521 CB LEU A 33 -0.681 -3.901 -1.390 1.00 0.00 C ATOM 522 CG LEU A 33 -1.910 -3.153 -1.972 1.00 0.00 C ATOM 523 CD1 LEU A 33 -1.577 -2.641 -3.374 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.183 -4.030 -1.989 1.00 0.00 C ATOM 0 H LEU A 33 -0.285 -2.742 1.026 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.751 -5.115 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.161 -3.209 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.414 -4.705 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.130 -2.309 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.440 -2.115 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.728 -1.959 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.325 -3.483 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.013 -3.459 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.008 -4.914 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.428 -4.336 -0.972 1.00 0.00 H new ATOM 536 N ILE A 34 0.166 -6.686 0.289 1.00 0.00 N ATOM 537 CA ILE A 34 1.198 -7.671 0.564 1.00 0.00 C ATOM 538 C ILE A 34 2.062 -7.846 -0.694 1.00 0.00 C ATOM 539 O ILE A 34 1.555 -8.247 -1.746 1.00 0.00 O ATOM 540 CB ILE A 34 0.570 -9.059 0.996 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.167 -8.955 2.383 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.635 -10.185 1.008 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.534 -8.268 2.357 1.00 0.00 C ATOM 0 H ILE A 34 -0.732 -7.101 0.040 1.00 0.00 H new ATOM 0 HA ILE A 34 1.812 -7.319 1.393 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.178 -9.322 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.294 -9.961 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.478 -8.415 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.169 -11.123 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.060 -10.295 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.426 -9.930 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.952 -8.251 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.421 -7.247 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.204 -8.816 1.695 1.00 0.00 H new ATOM 555 N PHE A 35 3.342 -7.476 -0.585 1.00 0.00 N ATOM 556 CA PHE A 35 4.358 -7.753 -1.599 1.00 0.00 C ATOM 557 C PHE A 35 5.249 -8.883 -1.074 1.00 0.00 C ATOM 558 O PHE A 35 6.111 -8.661 -0.215 1.00 0.00 O ATOM 559 CB PHE A 35 5.187 -6.482 -1.894 1.00 0.00 C ATOM 560 CG PHE A 35 4.369 -5.315 -2.456 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.714 -4.415 -1.611 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.274 -5.108 -3.827 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.991 -3.353 -2.124 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.554 -4.047 -4.335 1.00 0.00 C ATOM 565 CZ PHE A 35 2.914 -3.167 -3.488 1.00 0.00 C ATOM 0 H PHE A 35 3.704 -6.969 0.222 1.00 0.00 H new ATOM 0 HA PHE A 35 3.890 -8.056 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.676 -6.159 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.976 -6.733 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.773 -4.551 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.771 -5.787 -4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.487 -2.670 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.491 -3.904 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.355 -2.336 -3.891 1.00 0.00 H new ATOM 575 N THR A 36 4.986 -10.095 -1.560 1.00 0.00 N ATOM 576 CA THR A 36 5.689 -11.293 -1.129 1.00 0.00 C ATOM 577 C THR A 36 7.099 -11.339 -1.751 1.00 0.00 C ATOM 578 O THR A 36 7.246 -11.588 -2.948 1.00 0.00 O ATOM 579 CB THR A 36 4.870 -12.557 -1.521 1.00 0.00 C ATOM 580 OG1 THR A 36 3.553 -12.472 -0.957 1.00 0.00 O ATOM 581 CG2 THR A 36 5.526 -13.856 -1.057 1.00 0.00 C ATOM 0 H THR A 36 4.273 -10.270 -2.269 1.00 0.00 H new ATOM 0 HA THR A 36 5.797 -11.272 -0.045 1.00 0.00 H new ATOM 0 HB THR A 36 4.826 -12.581 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.038 -13.268 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.910 -14.703 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.514 -13.947 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.624 -13.847 0.029 1.00 0.00 H new ATOM 589 N GLN A 37 8.117 -11.065 -0.925 1.00 0.00 N ATOM 590 CA GLN A 37 9.531 -11.138 -1.321 1.00 0.00 C ATOM 591 C GLN A 37 10.003 -12.599 -1.242 1.00 0.00 C ATOM 592 O GLN A 37 10.356 -13.078 -0.165 1.00 0.00 O ATOM 593 CB GLN A 37 10.384 -10.234 -0.386 1.00 0.00 C ATOM 594 CG GLN A 37 11.921 -10.243 -0.635 1.00 0.00 C ATOM 595 CD GLN A 37 12.422 -9.317 -1.761 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.510 -8.780 -1.655 1.00 0.00 O ATOM 597 NE2 GLN A 37 11.673 -9.141 -2.846 1.00 0.00 N ATOM 0 H GLN A 37 7.982 -10.784 0.046 1.00 0.00 H new ATOM 0 HA GLN A 37 9.649 -10.783 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.027 -9.209 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.202 -10.539 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.422 -9.962 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.227 -11.263 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.764 -9.598 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.007 -8.549 -3.606 1.00 0.00 H new ATOM 606 N SER A 38 9.967 -13.310 -2.369 1.00 0.00 N ATOM 607 CA SER A 38 10.292 -14.739 -2.400 1.00 0.00 C ATOM 608 C SER A 38 11.808 -14.985 -2.600 1.00 0.00 C ATOM 609 O SER A 38 12.523 -14.160 -3.188 1.00 0.00 O ATOM 610 CB SER A 38 9.459 -15.441 -3.490 1.00 0.00 C ATOM 611 OG SER A 38 9.610 -16.850 -3.412 1.00 0.00 O ATOM 0 H SER A 38 9.715 -12.919 -3.277 1.00 0.00 H new ATOM 0 HA SER A 38 10.035 -15.167 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.408 -15.177 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.771 -15.091 -4.474 1.00 0.00 H new ATOM 0 HG SER A 38 9.072 -17.276 -4.111 1.00 0.00 H new ATOM 617 N GLY A 39 12.264 -16.136 -2.085 1.00 0.00 N ATOM 618 CA GLY A 39 13.653 -16.578 -2.187 1.00 0.00 C ATOM 619 C GLY A 39 13.777 -18.047 -1.806 1.00 0.00 C ATOM 620 O GLY A 39 12.785 -18.793 -1.861 1.00 0.00 O ATOM 0 H GLY A 39 11.667 -16.791 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.014 -16.429 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.282 -15.973 -1.534 1.00 0.00 H new ATOM 624 N LYS A 40 14.984 -18.475 -1.403 1.00 0.00 N ATOM 625 CA LYS A 40 15.250 -19.860 -0.952 1.00 0.00 C ATOM 626 C LYS A 40 16.262 -19.857 0.207 1.00 0.00 C ATOM 627 O LYS A 40 17.209 -19.069 0.198 1.00 0.00 O ATOM 628 CB LYS A 40 15.733 -20.743 -2.143 1.00 0.00 C ATOM 629 CG LYS A 40 17.043 -20.304 -2.861 1.00 0.00 C ATOM 630 CD LYS A 40 18.326 -20.914 -2.243 1.00 0.00 C ATOM 631 CE LYS A 40 19.604 -20.450 -2.947 1.00 0.00 C ATOM 632 NZ LYS A 40 19.669 -20.840 -4.377 1.00 0.00 N ATOM 0 H LYS A 40 15.807 -17.873 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 40 14.323 -20.297 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.872 -21.760 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.935 -20.778 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.985 -20.590 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.117 -19.217 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.379 -20.644 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.265 -22.001 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.677 -19.365 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.467 -20.865 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.587 -20.554 -4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.561 -21.871 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.904 -20.368 -4.901 1.00 0.00 H new ATOM 646 N ARG A 41 16.055 -20.728 1.216 1.00 0.00 N ATOM 647 CA ARG A 41 16.981 -20.856 2.357 1.00 0.00 C ATOM 648 C ARG A 41 17.832 -22.116 2.168 1.00 0.00 C ATOM 649 O ARG A 41 17.291 -23.216 1.991 1.00 0.00 O ATOM 650 CB ARG A 41 16.218 -20.940 3.713 1.00 0.00 C ATOM 651 CG ARG A 41 17.103 -20.725 4.968 1.00 0.00 C ATOM 652 CD ARG A 41 16.370 -21.063 6.283 1.00 0.00 C ATOM 653 NE ARG A 41 15.011 -20.472 6.371 1.00 0.00 N ATOM 654 CZ ARG A 41 14.579 -19.584 7.286 1.00 0.00 C ATOM 655 NH1 ARG A 41 15.390 -19.140 8.241 1.00 0.00 N ATOM 656 NH2 ARG A 41 13.306 -19.207 7.274 1.00 0.00 N ATOM 0 H ARG A 41 15.251 -21.355 1.262 1.00 0.00 H new ATOM 0 HA ARG A 41 17.613 -19.968 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.423 -20.195 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.740 -21.917 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.997 -21.343 4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.435 -19.687 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.294 -22.146 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.967 -20.709 7.124 1.00 0.00 H new ATOM 0 HE ARG A 41 14.336 -20.769 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.353 -19.472 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.049 -18.467 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.667 -19.590 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.967 -18.535 7.962 1.00 0.00 H new ATOM 670 N ASP A 42 19.155 -21.939 2.172 1.00 0.00 N ATOM 671 CA ASP A 42 20.108 -23.041 2.228 1.00 0.00 C ATOM 672 C ASP A 42 20.118 -23.585 3.659 1.00 0.00 C ATOM 673 O ASP A 42 20.509 -22.876 4.584 1.00 0.00 O ATOM 674 CB ASP A 42 21.504 -22.534 1.820 1.00 0.00 C ATOM 675 CG ASP A 42 22.562 -23.635 1.737 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.203 -23.909 2.755 1.00 0.00 O ATOM 677 OD2 ASP A 42 22.766 -24.219 0.650 1.00 0.00 O ATOM 0 H ASP A 42 19.595 -21.019 2.136 1.00 0.00 H new ATOM 0 HA ASP A 42 19.825 -23.837 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.432 -22.039 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.831 -21.782 2.538 1.00 0.00 H new ATOM 682 N LEU A 43 19.653 -24.826 3.830 1.00 0.00 N ATOM 683 CA LEU A 43 19.398 -25.411 5.162 1.00 0.00 C ATOM 684 C LEU A 43 20.659 -25.991 5.822 1.00 0.00 C ATOM 685 O LEU A 43 20.661 -26.213 7.035 1.00 0.00 O ATOM 686 CB LEU A 43 18.262 -26.475 5.060 1.00 0.00 C ATOM 687 CG LEU A 43 16.881 -25.928 4.572 1.00 0.00 C ATOM 688 CD1 LEU A 43 15.777 -27.007 4.639 1.00 0.00 C ATOM 689 CD2 LEU A 43 16.480 -24.669 5.364 1.00 0.00 C ATOM 0 H LEU A 43 19.442 -25.456 3.056 1.00 0.00 H new ATOM 0 HA LEU A 43 19.075 -24.602 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.584 -27.263 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.127 -26.935 6.039 1.00 0.00 H new ATOM 0 HG LEU A 43 16.991 -25.650 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.834 -26.585 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.053 -27.850 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.664 -27.349 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.516 -24.306 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.406 -24.914 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.234 -23.895 5.223 1.00 0.00 H new ATOM 701 N THR A 44 21.737 -26.202 5.040 1.00 0.00 N ATOM 702 CA THR A 44 22.966 -26.838 5.564 1.00 0.00 C ATOM 703 C THR A 44 23.902 -25.774 6.180 1.00 0.00 C ATOM 704 O THR A 44 24.533 -26.020 7.215 1.00 0.00 O ATOM 705 CB THR A 44 23.701 -27.716 4.487 1.00 0.00 C ATOM 706 OG1 THR A 44 24.814 -28.408 5.078 1.00 0.00 O ATOM 707 CG2 THR A 44 24.187 -26.920 3.268 1.00 0.00 C ATOM 0 H THR A 44 21.784 -25.945 4.054 1.00 0.00 H new ATOM 0 HA THR A 44 22.667 -27.528 6.353 1.00 0.00 H new ATOM 0 HB THR A 44 22.957 -28.427 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.261 -28.952 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 44 24.684 -27.593 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 44 23.335 -26.451 2.777 1.00 0.00 H new ATOM 0 HG23 THR A 44 24.888 -26.151 3.592 1.00 0.00 H new ATOM 715 N ASN A 45 23.983 -24.596 5.540 1.00 0.00 N ATOM 716 CA ASN A 45 24.706 -23.426 6.089 1.00 0.00 C ATOM 717 C ASN A 45 23.780 -22.610 7.003 1.00 0.00 C ATOM 718 O ASN A 45 24.230 -22.002 7.987 1.00 0.00 O ATOM 719 CB ASN A 45 25.218 -22.527 4.927 1.00 0.00 C ATOM 720 CG ASN A 45 26.080 -21.344 5.391 1.00 0.00 C ATOM 721 OD1 ASN A 45 25.444 -20.241 5.765 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 27.304 -21.435 5.439 1.00 0.00 N flip ATOM 0 H ASN A 45 23.553 -24.423 4.631 1.00 0.00 H new ATOM 0 HA ASN A 45 25.556 -23.782 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 45 25.799 -23.138 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 45 24.362 -22.144 4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.763 -22.297 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 45 27.861 -20.649 5.774 1.00 0.00 H new ATOM 729 N GLY A 46 22.482 -22.608 6.665 1.00 0.00 N ATOM 730 CA GLY A 46 21.474 -21.866 7.427 1.00 0.00 C ATOM 731 C GLY A 46 21.401 -20.401 7.023 1.00 0.00 C ATOM 732 O GLY A 46 21.208 -19.516 7.869 1.00 0.00 O ATOM 0 H GLY A 46 22.107 -23.116 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.498 -22.329 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.703 -21.935 8.490 1.00 0.00 H new ATOM 736 N LYS A 47 21.547 -20.153 5.714 1.00 0.00 N ATOM 737 CA LYS A 47 21.556 -18.797 5.129 1.00 0.00 C ATOM 738 C LYS A 47 20.313 -18.595 4.255 1.00 0.00 C ATOM 739 O LYS A 47 19.888 -19.507 3.549 1.00 0.00 O ATOM 740 CB LYS A 47 22.854 -18.580 4.299 1.00 0.00 C ATOM 741 CG LYS A 47 23.138 -19.681 3.255 1.00 0.00 C ATOM 742 CD LYS A 47 24.416 -19.442 2.416 1.00 0.00 C ATOM 743 CE LYS A 47 24.354 -18.148 1.600 1.00 0.00 C ATOM 744 NZ LYS A 47 25.525 -17.991 0.694 1.00 0.00 N ATOM 0 H LYS A 47 21.664 -20.893 5.021 1.00 0.00 H new ATOM 0 HA LYS A 47 21.536 -18.062 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.786 -17.620 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 47 23.701 -18.518 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.227 -20.639 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.284 -19.758 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.280 -19.407 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.566 -20.285 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.438 -18.138 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.306 -17.296 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.437 -17.101 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.399 -17.974 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.558 -18.789 0.028 1.00 0.00 H new ATOM 758 N GLU A 48 19.734 -17.390 4.322 1.00 0.00 N ATOM 759 CA GLU A 48 18.547 -17.005 3.546 1.00 0.00 C ATOM 760 C GLU A 48 18.974 -16.209 2.306 1.00 0.00 C ATOM 761 O GLU A 48 19.411 -15.062 2.417 1.00 0.00 O ATOM 762 CB GLU A 48 17.614 -16.165 4.450 1.00 0.00 C ATOM 763 CG GLU A 48 17.007 -16.952 5.633 1.00 0.00 C ATOM 764 CD GLU A 48 16.404 -16.054 6.720 1.00 0.00 C ATOM 765 OE1 GLU A 48 15.292 -15.535 6.521 1.00 0.00 O ATOM 766 OE2 GLU A 48 17.049 -15.851 7.775 1.00 0.00 O ATOM 0 H GLU A 48 20.081 -16.644 4.925 1.00 0.00 H new ATOM 0 HA GLU A 48 18.011 -17.892 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.173 -15.315 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.804 -15.761 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.234 -17.621 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.781 -17.578 6.078 1.00 0.00 H new ATOM 773 N ILE A 49 18.863 -16.839 1.135 1.00 0.00 N ATOM 774 CA ILE A 49 19.209 -16.216 -0.145 1.00 0.00 C ATOM 775 C ILE A 49 17.915 -15.666 -0.742 1.00 0.00 C ATOM 776 O ILE A 49 16.982 -16.424 -0.980 1.00 0.00 O ATOM 777 CB ILE A 49 19.886 -17.216 -1.168 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.131 -17.944 -0.549 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.287 -16.471 -2.463 1.00 0.00 C ATOM 780 CD1 ILE A 49 20.802 -19.101 0.385 1.00 0.00 C ATOM 0 H ILE A 49 18.530 -17.799 1.047 1.00 0.00 H new ATOM 0 HA ILE A 49 19.945 -15.433 0.039 1.00 0.00 H new ATOM 0 HB ILE A 49 19.149 -17.982 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.755 -18.318 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.725 -17.213 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.751 -17.172 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.399 -16.039 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.994 -15.677 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.726 -19.539 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.207 -18.735 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.237 -19.858 -0.159 1.00 0.00 H new ATOM 792 N TRP A 50 17.841 -14.351 -0.926 1.00 0.00 N ATOM 793 CA TRP A 50 16.673 -13.687 -1.524 1.00 0.00 C ATOM 794 C TRP A 50 17.013 -13.314 -2.961 1.00 0.00 C ATOM 795 O TRP A 50 18.029 -12.647 -3.206 1.00 0.00 O ATOM 796 CB TRP A 50 16.303 -12.444 -0.681 1.00 0.00 C ATOM 797 CG TRP A 50 16.065 -12.795 0.765 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.929 -12.637 1.809 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.901 -13.424 1.300 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.366 -13.120 2.958 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.117 -13.603 2.673 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.694 -13.846 0.741 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.171 -14.192 3.501 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.755 -14.423 1.559 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.994 -14.594 2.928 1.00 0.00 C ATOM 0 H TRP A 50 18.589 -13.708 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 50 15.808 -14.350 -1.533 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.104 -11.708 -0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.408 -11.979 -1.094 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.912 -12.196 1.739 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.806 -13.120 3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.503 -13.721 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.356 -14.328 4.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.815 -14.751 1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.235 -15.052 3.544 1.00 0.00 H new ATOM 816 N ASP A 51 16.183 -13.772 -3.908 1.00 0.00 N ATOM 817 CA ASP A 51 16.423 -13.573 -5.341 1.00 0.00 C ATOM 818 C ASP A 51 16.420 -12.069 -5.662 1.00 0.00 C ATOM 819 O ASP A 51 15.389 -11.425 -5.559 1.00 0.00 O ATOM 820 CB ASP A 51 15.341 -14.329 -6.153 1.00 0.00 C ATOM 821 CG ASP A 51 15.624 -14.345 -7.666 1.00 0.00 C ATOM 822 OD1 ASP A 51 16.382 -15.227 -8.126 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.104 -13.483 -8.393 1.00 0.00 O ATOM 0 H ASP A 51 15.329 -14.290 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 51 17.399 -13.973 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.274 -15.355 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.371 -13.864 -5.976 1.00 0.00 H new ATOM 828 N SER A 52 17.604 -11.529 -5.990 1.00 0.00 N ATOM 829 CA SER A 52 17.813 -10.084 -6.239 1.00 0.00 C ATOM 830 C SER A 52 17.049 -9.574 -7.481 1.00 0.00 C ATOM 831 O SER A 52 16.809 -8.364 -7.622 1.00 0.00 O ATOM 832 CB SER A 52 19.325 -9.800 -6.395 1.00 0.00 C ATOM 833 OG SER A 52 20.069 -10.309 -5.290 1.00 0.00 O ATOM 0 H SER A 52 18.454 -12.083 -6.092 1.00 0.00 H new ATOM 0 HA SER A 52 17.414 -9.545 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.688 -10.252 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.488 -8.726 -6.481 1.00 0.00 H new ATOM 0 HG SER A 52 21.021 -10.115 -5.419 1.00 0.00 H new ATOM 839 N LYS A 53 16.688 -10.508 -8.381 1.00 0.00 N ATOM 840 CA LYS A 53 15.915 -10.201 -9.602 1.00 0.00 C ATOM 841 C LYS A 53 14.417 -10.113 -9.280 1.00 0.00 C ATOM 842 O LYS A 53 13.652 -9.510 -10.047 1.00 0.00 O ATOM 843 CB LYS A 53 16.149 -11.296 -10.677 1.00 0.00 C ATOM 844 CG LYS A 53 17.629 -11.640 -10.945 1.00 0.00 C ATOM 845 CD LYS A 53 17.799 -12.787 -11.972 1.00 0.00 C ATOM 846 CE LYS A 53 19.260 -13.218 -12.152 1.00 0.00 C ATOM 847 NZ LYS A 53 19.835 -13.765 -10.896 1.00 0.00 N ATOM 0 H LYS A 53 16.923 -11.496 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 53 16.254 -9.240 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.631 -12.204 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.692 -10.970 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.144 -10.751 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.108 -11.923 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.210 -13.646 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.399 -12.468 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.322 -13.971 -12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.852 -12.364 -12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.751 -14.213 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.972 -12.994 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.185 -14.472 -10.496 1.00 0.00 H new ATOM 861 N TRP A 54 14.014 -10.745 -8.156 1.00 0.00 N ATOM 862 CA TRP A 54 12.605 -10.872 -7.762 1.00 0.00 C ATOM 863 C TRP A 54 11.940 -9.502 -7.593 1.00 0.00 C ATOM 864 O TRP A 54 12.518 -8.564 -7.026 1.00 0.00 O ATOM 865 CB TRP A 54 12.428 -11.732 -6.478 1.00 0.00 C ATOM 866 CG TRP A 54 10.973 -11.932 -6.099 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.255 -11.235 -5.167 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.050 -12.861 -6.696 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.958 -11.664 -5.160 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.807 -12.667 -6.074 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.159 -13.840 -7.694 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.677 -13.406 -6.415 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.039 -14.576 -8.027 1.00 0.00 C ATOM 874 CH2 TRP A 54 7.813 -14.355 -7.390 1.00 0.00 C ATOM 0 H TRP A 54 14.662 -11.180 -7.499 1.00 0.00 H new ATOM 0 HA TRP A 54 12.103 -11.394 -8.576 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.896 -12.705 -6.631 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.951 -11.253 -5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.654 -10.460 -4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.218 -11.293 -4.565 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.101 -14.015 -8.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.728 -13.236 -5.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.111 -15.335 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 54 6.956 -14.947 -7.675 1.00 0.00 H new ATOM 885 N SER A 55 10.699 -9.430 -8.075 1.00 0.00 N ATOM 886 CA SER A 55 9.916 -8.215 -8.113 1.00 0.00 C ATOM 887 C SER A 55 8.442 -8.574 -7.991 1.00 0.00 C ATOM 888 O SER A 55 7.975 -9.512 -8.643 1.00 0.00 O ATOM 889 CB SER A 55 10.220 -7.461 -9.426 1.00 0.00 C ATOM 890 OG SER A 55 9.952 -8.256 -10.575 1.00 0.00 O ATOM 0 H SER A 55 10.208 -10.238 -8.456 1.00 0.00 H new ATOM 0 HA SER A 55 10.173 -7.558 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.621 -6.551 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.266 -7.155 -9.434 1.00 0.00 H new ATOM 0 HG SER A 55 10.156 -7.741 -11.384 1.00 0.00 H new ATOM 896 N LEU A 56 7.727 -7.862 -7.119 1.00 0.00 N ATOM 897 CA LEU A 56 6.305 -8.117 -6.844 1.00 0.00 C ATOM 898 C LEU A 56 5.537 -6.807 -7.096 1.00 0.00 C ATOM 899 O LEU A 56 5.897 -5.769 -6.550 1.00 0.00 O ATOM 900 CB LEU A 56 6.138 -8.629 -5.367 1.00 0.00 C ATOM 901 CG LEU A 56 4.893 -9.539 -5.057 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.546 -8.828 -5.317 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.979 -10.885 -5.819 1.00 0.00 C ATOM 0 H LEU A 56 8.116 -7.088 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 56 5.904 -8.892 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.037 -9.184 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.092 -7.759 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 56 4.924 -9.751 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.725 -9.507 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.474 -7.943 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.487 -8.532 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.105 -11.492 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.011 -10.694 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.881 -11.417 -5.518 1.00 0.00 H new ATOM 915 N THR A 57 4.504 -6.858 -7.954 1.00 0.00 N ATOM 916 CA THR A 57 3.668 -5.694 -8.271 1.00 0.00 C ATOM 917 C THR A 57 2.245 -5.921 -7.730 1.00 0.00 C ATOM 918 O THR A 57 1.688 -7.018 -7.885 1.00 0.00 O ATOM 919 CB THR A 57 3.632 -5.451 -9.819 1.00 0.00 C ATOM 920 OG1 THR A 57 4.973 -5.442 -10.327 1.00 0.00 O ATOM 921 CG2 THR A 57 2.950 -4.126 -10.194 1.00 0.00 C ATOM 0 H THR A 57 4.228 -7.708 -8.445 1.00 0.00 H new ATOM 0 HA THR A 57 4.094 -4.809 -7.798 1.00 0.00 H new ATOM 0 HB THR A 57 3.049 -6.260 -10.260 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.955 -5.292 -11.295 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.953 -4.009 -11.278 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.922 -4.131 -9.833 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.491 -3.297 -9.738 1.00 0.00 H new ATOM 929 N GLN A 58 1.680 -4.902 -7.061 1.00 0.00 N ATOM 930 CA GLN A 58 0.289 -4.927 -6.556 1.00 0.00 C ATOM 931 C GLN A 58 -0.382 -3.589 -6.911 1.00 0.00 C ATOM 932 O GLN A 58 0.271 -2.546 -6.880 1.00 0.00 O ATOM 933 CB GLN A 58 0.238 -5.145 -5.017 1.00 0.00 C ATOM 934 CG GLN A 58 0.668 -6.529 -4.480 1.00 0.00 C ATOM 935 CD GLN A 58 -0.317 -7.659 -4.794 1.00 0.00 C ATOM 936 OE1 GLN A 58 0.163 -8.886 -4.809 1.00 0.00 O flip ATOM 937 NE2 GLN A 58 -1.513 -7.436 -4.955 1.00 0.00 N flip ATOM 0 H GLN A 58 2.173 -4.034 -6.853 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.237 -5.760 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.870 -4.391 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.783 -4.957 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.641 -6.783 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.795 -6.463 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.860 -6.477 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.160 -8.210 -5.105 1.00 0.00 H new ATOM 946 N THR A 59 -1.687 -3.631 -7.218 1.00 0.00 N ATOM 947 CA THR A 59 -2.463 -2.451 -7.635 1.00 0.00 C ATOM 948 C THR A 59 -3.132 -1.783 -6.416 1.00 0.00 C ATOM 949 O THR A 59 -3.955 -2.415 -5.744 1.00 0.00 O ATOM 950 CB THR A 59 -3.571 -2.860 -8.662 1.00 0.00 C ATOM 951 OG1 THR A 59 -3.014 -3.703 -9.682 1.00 0.00 O ATOM 952 CG2 THR A 59 -4.217 -1.632 -9.324 1.00 0.00 C ATOM 0 H THR A 59 -2.238 -4.489 -7.184 1.00 0.00 H new ATOM 0 HA THR A 59 -1.775 -1.746 -8.102 1.00 0.00 H new ATOM 0 HB THR A 59 -4.341 -3.399 -8.110 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.716 -3.954 -10.318 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.981 -1.959 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.675 -1.005 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.454 -1.061 -9.853 1.00 0.00 H new ATOM 960 N PHE A 60 -2.756 -0.525 -6.106 1.00 0.00 N ATOM 961 CA PHE A 60 -3.431 0.266 -5.061 1.00 0.00 C ATOM 962 C PHE A 60 -4.829 0.686 -5.530 1.00 0.00 C ATOM 963 O PHE A 60 -4.994 1.661 -6.263 1.00 0.00 O ATOM 964 CB PHE A 60 -2.561 1.473 -4.610 1.00 0.00 C ATOM 965 CG PHE A 60 -1.449 1.048 -3.658 1.00 0.00 C ATOM 966 CD1 PHE A 60 -1.755 0.691 -2.348 1.00 0.00 C ATOM 967 CD2 PHE A 60 -0.123 0.974 -4.065 1.00 0.00 C ATOM 968 CE1 PHE A 60 -0.769 0.268 -1.478 1.00 0.00 C ATOM 969 CE2 PHE A 60 0.867 0.559 -3.191 1.00 0.00 C ATOM 970 CZ PHE A 60 0.538 0.207 -1.898 1.00 0.00 C ATOM 0 H PHE A 60 -1.988 -0.037 -6.566 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.560 -0.360 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.125 1.954 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.194 2.214 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.778 0.746 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.139 1.244 -5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.025 -0.015 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.894 0.511 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.309 -0.117 -1.215 1.00 0.00 H new ATOM 980 N GLU A 61 -5.799 -0.132 -5.120 1.00 0.00 N ATOM 981 CA GLU A 61 -7.228 0.036 -5.392 1.00 0.00 C ATOM 982 C GLU A 61 -8.009 -0.575 -4.208 1.00 0.00 C ATOM 983 O GLU A 61 -7.423 -0.801 -3.129 1.00 0.00 O ATOM 984 CB GLU A 61 -7.605 -0.663 -6.731 1.00 0.00 C ATOM 985 CG GLU A 61 -7.342 -2.187 -6.736 1.00 0.00 C ATOM 986 CD GLU A 61 -7.893 -2.897 -7.976 1.00 0.00 C ATOM 987 OE1 GLU A 61 -9.129 -3.071 -8.070 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.106 -3.288 -8.864 1.00 0.00 O ATOM 0 H GLU A 61 -5.602 -0.965 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.479 1.092 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.660 -0.485 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.039 -0.204 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.268 -2.363 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.790 -2.628 -5.845 1.00 0.00 H new ATOM 995 N ALA A 62 -9.328 -0.823 -4.409 1.00 0.00 N ATOM 996 CA ALA A 62 -10.206 -1.480 -3.407 1.00 0.00 C ATOM 997 C ALA A 62 -10.313 -0.649 -2.107 1.00 0.00 C ATOM 998 O ALA A 62 -10.539 -1.184 -1.019 1.00 0.00 O ATOM 999 CB ALA A 62 -9.744 -2.932 -3.139 1.00 0.00 C ATOM 0 H ALA A 62 -9.813 -0.573 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.212 -1.530 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.402 -3.393 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.782 -3.503 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.722 -2.924 -2.759 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.159 0.670 -2.259 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.276 1.661 -1.189 1.00 0.00 C ATOM 1007 C LEU A 63 -11.438 2.622 -1.581 1.00 0.00 C ATOM 1008 O LEU A 63 -11.238 3.560 -2.376 1.00 0.00 O ATOM 1009 CB LEU A 63 -8.899 2.399 -1.011 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.648 3.189 0.328 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.637 4.355 0.520 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -8.673 2.240 1.547 1.00 0.00 C ATOM 0 H LEU A 63 -9.942 1.090 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.509 1.208 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.107 1.657 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.787 3.100 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.653 3.626 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.420 4.866 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.536 5.057 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.656 3.968 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.497 2.813 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.645 1.751 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.894 1.485 1.437 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.682 2.357 -1.080 1.00 0.00 N ATOM 1025 CA PRO A 64 -13.849 3.238 -1.296 1.00 0.00 C ATOM 1026 C PRO A 64 -13.924 4.359 -0.244 1.00 0.00 C ATOM 1027 O PRO A 64 -13.434 4.190 0.869 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.026 2.248 -1.139 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.557 1.291 -0.090 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.064 1.149 -0.292 1.00 0.00 C ATOM 0 HA PRO A 64 -13.828 3.760 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.939 2.759 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.245 1.737 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.782 1.666 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.057 0.328 -0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.535 1.112 0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.821 0.231 -0.828 1.00 0.00 H new ATOM 1038 N SER A 65 -14.523 5.498 -0.602 1.00 0.00 N ATOM 1039 CA SER A 65 -14.782 6.603 0.343 1.00 0.00 C ATOM 1040 C SER A 65 -16.285 6.640 0.714 1.00 0.00 C ATOM 1041 O SER A 65 -17.112 6.239 -0.114 1.00 0.00 O ATOM 1042 CB SER A 65 -14.346 7.932 -0.303 1.00 0.00 C ATOM 1043 OG SER A 65 -12.973 7.907 -0.674 1.00 0.00 O ATOM 0 H SER A 65 -14.844 5.686 -1.552 1.00 0.00 H new ATOM 0 HA SER A 65 -14.210 6.449 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.958 8.128 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.520 8.751 0.395 1.00 0.00 H new ATOM 0 HG SER A 65 -12.604 8.813 -0.623 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.673 7.086 1.962 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.094 7.272 2.336 1.00 0.00 C ATOM 1051 C PRO A 66 -18.815 8.272 1.401 1.00 0.00 C ATOM 1052 O PRO A 66 -18.316 9.383 1.154 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.035 7.804 3.801 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.626 8.274 3.998 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.783 7.387 3.112 1.00 0.00 C ATOM 0 HA PRO A 66 -18.664 6.347 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.745 8.617 3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.291 7.020 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.519 9.323 3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.325 8.188 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.872 7.892 2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.478 6.478 3.630 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.962 7.839 0.848 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.842 8.701 0.048 1.00 0.00 C ATOM 1065 C VAL A 67 -21.537 9.699 0.993 1.00 0.00 C ATOM 1066 O VAL A 67 -22.409 9.312 1.781 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.904 7.840 -0.745 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.919 8.729 -1.502 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.197 6.849 -1.706 1.00 0.00 C ATOM 0 H VAL A 67 -20.302 6.882 0.945 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.253 9.245 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.471 7.262 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.631 8.097 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.453 9.358 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.389 9.359 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.945 6.266 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.590 7.405 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.558 6.178 -1.132 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.109 10.973 0.932 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.657 12.050 1.769 1.00 0.00 C ATOM 1081 C ILE A 68 -22.519 12.973 0.888 1.00 0.00 C ATOM 1082 O ILE A 68 -22.102 13.355 -0.203 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.504 12.868 2.483 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.642 11.935 3.400 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.076 14.042 3.304 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.572 12.642 4.226 1.00 0.00 C ATOM 0 H ILE A 68 -20.372 11.283 0.299 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.273 11.614 2.555 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.862 13.278 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.309 11.403 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.158 11.185 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.260 14.584 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.621 14.716 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.752 13.657 4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.032 11.909 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.875 13.151 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.044 13.372 4.884 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.720 13.318 1.377 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.692 14.139 0.645 1.00 0.00 C ATOM 1100 C ILE A 69 -24.343 15.627 0.847 1.00 0.00 C ATOM 1101 O ILE A 69 -24.091 16.060 1.979 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.160 13.830 1.133 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.507 12.307 0.975 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.202 14.704 0.405 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.431 11.757 -0.452 1.00 0.00 C ATOM 0 H ILE A 69 -24.045 13.031 2.300 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.644 13.901 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.201 14.080 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.829 11.731 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.514 12.141 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.200 14.460 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.992 15.756 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.151 14.514 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.689 10.698 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.131 12.299 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.419 11.882 -0.837 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.310 16.393 -0.258 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.904 17.794 -0.225 1.00 0.00 C ATOM 1119 C GLY A 70 -22.397 17.978 -0.343 1.00 0.00 C ATOM 1120 O GLY A 70 -21.924 19.113 -0.454 1.00 0.00 O ATOM 0 H GLY A 70 -24.563 16.055 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.395 18.328 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.248 18.245 0.706 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.635 16.862 -0.328 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.163 16.883 -0.421 1.00 0.00 C ATOM 1126 C TYR A 71 -19.677 15.845 -1.428 1.00 0.00 C ATOM 1127 O TYR A 71 -20.427 14.954 -1.842 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.499 16.604 0.953 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.745 17.681 2.009 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.933 18.813 2.090 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.790 17.571 2.924 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -19.153 19.786 3.043 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -21.014 18.536 3.877 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.195 19.647 3.934 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.415 20.619 4.890 1.00 0.00 O ATOM 0 H TYR A 71 -22.026 15.923 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.876 17.882 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.867 15.651 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.424 16.496 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.116 18.930 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.438 16.708 2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -18.511 20.653 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.828 18.426 4.579 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.188 20.370 5.438 1.00 0.00 H new ATOM 1145 N THR A 72 -18.405 15.981 -1.815 1.00 0.00 N ATOM 1146 CA THR A 72 -17.701 15.028 -2.666 1.00 0.00 C ATOM 1147 C THR A 72 -16.213 15.093 -2.307 1.00 0.00 C ATOM 1148 O THR A 72 -15.645 16.194 -2.228 1.00 0.00 O ATOM 1149 CB THR A 72 -17.900 15.347 -4.194 1.00 0.00 C ATOM 1150 OG1 THR A 72 -19.301 15.379 -4.525 1.00 0.00 O ATOM 1151 CG2 THR A 72 -17.192 14.313 -5.093 1.00 0.00 C ATOM 0 H THR A 72 -17.828 16.775 -1.537 1.00 0.00 H new ATOM 0 HA THR A 72 -18.104 14.029 -2.496 1.00 0.00 H new ATOM 0 HB THR A 72 -17.455 16.325 -4.376 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.407 15.580 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.354 14.570 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.123 14.317 -4.880 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.598 13.321 -4.896 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.595 13.926 -2.064 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.153 13.823 -1.809 1.00 0.00 C ATOM 1161 C ALA A 73 -13.346 14.257 -3.040 1.00 0.00 C ATOM 1162 O ALA A 73 -13.838 14.188 -4.172 1.00 0.00 O ATOM 1163 CB ALA A 73 -13.795 12.396 -1.411 1.00 0.00 C ATOM 0 H ALA A 73 -16.082 13.030 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.898 14.493 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.723 12.328 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.339 12.123 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.066 11.715 -2.217 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.110 14.711 -2.799 1.00 0.00 N ATOM 1170 CA ASP A 74 -11.172 15.100 -3.860 1.00 0.00 C ATOM 1171 C ASP A 74 -10.814 13.858 -4.700 1.00 0.00 C ATOM 1172 O ASP A 74 -10.740 13.911 -5.929 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.918 15.750 -3.224 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.969 16.377 -4.259 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.340 17.403 -4.855 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -7.855 15.851 -4.474 1.00 0.00 O ATOM 0 H ASP A 74 -11.730 14.819 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.627 15.835 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.234 16.518 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.376 14.996 -2.653 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.675 12.730 -3.992 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.517 11.399 -4.574 1.00 0.00 C ATOM 1183 C LYS A 75 -11.457 10.431 -3.816 1.00 0.00 C ATOM 1184 O LYS A 75 -11.074 9.862 -2.786 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.022 10.923 -4.578 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.224 11.092 -3.254 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.634 12.510 -3.048 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.481 12.816 -4.017 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.279 11.992 -3.747 1.00 0.00 N ATOM 0 H LYS A 75 -10.670 12.722 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.799 11.420 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.003 9.868 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.496 11.466 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.879 10.857 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.411 10.366 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.422 13.251 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.277 12.606 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.815 12.642 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.218 13.871 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.525 12.248 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.952 12.163 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.515 10.986 -3.861 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.753 10.284 -4.279 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.741 9.368 -3.640 1.00 0.00 C ATOM 1205 C PRO A 76 -13.471 7.872 -3.962 1.00 0.00 C ATOM 1206 O PRO A 76 -14.145 6.978 -3.439 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.085 9.860 -4.232 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.736 10.388 -5.585 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.355 10.999 -5.449 1.00 0.00 C ATOM 0 HA PRO A 76 -13.707 9.401 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.809 9.048 -4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.532 10.634 -3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.739 9.591 -6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.462 11.132 -5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.764 10.853 -6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.410 12.074 -5.274 1.00 0.00 H new ATOM 1217 N MET A 77 -12.487 7.640 -4.828 1.00 0.00 N ATOM 1218 CA MET A 77 -11.990 6.313 -5.191 1.00 0.00 C ATOM 1219 C MET A 77 -10.502 6.462 -5.481 1.00 0.00 C ATOM 1220 O MET A 77 -10.134 7.178 -6.417 1.00 0.00 O ATOM 1221 CB MET A 77 -12.770 5.773 -6.427 1.00 0.00 C ATOM 1222 CG MET A 77 -12.149 4.554 -7.133 1.00 0.00 C ATOM 1223 SD MET A 77 -11.934 3.125 -6.050 1.00 0.00 S ATOM 1224 CE MET A 77 -11.291 1.901 -7.200 1.00 0.00 C ATOM 0 H MET A 77 -11.998 8.393 -5.312 1.00 0.00 H new ATOM 0 HA MET A 77 -12.139 5.593 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.779 5.510 -6.109 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.865 6.580 -7.153 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.782 4.270 -7.974 1.00 0.00 H new ATOM 0 HG3 MET A 77 -11.180 4.837 -7.544 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.110 0.965 -6.672 1.00 0.00 H new ATOM 0 HE2 MET A 77 -12.016 1.734 -7.997 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.356 2.261 -7.630 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.651 5.831 -4.661 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.196 5.845 -4.871 1.00 0.00 C ATOM 1236 C VAL A 78 -7.877 5.144 -6.205 1.00 0.00 C ATOM 1237 O VAL A 78 -8.241 3.980 -6.400 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.438 5.175 -3.659 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -5.921 5.034 -3.925 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -7.692 5.971 -2.353 1.00 0.00 C ATOM 0 H VAL A 78 -9.947 5.301 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.845 6.876 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.839 4.168 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.442 4.568 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.762 4.414 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.488 6.020 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.162 5.495 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.332 6.993 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.760 5.985 -2.138 1.00 0.00 H new ATOM 1250 N GLY A 79 -7.268 5.897 -7.140 1.00 0.00 N ATOM 1251 CA GLY A 79 -7.001 5.411 -8.491 1.00 0.00 C ATOM 1252 C GLY A 79 -6.144 4.148 -8.522 1.00 0.00 C ATOM 1253 O GLY A 79 -5.161 4.077 -7.777 1.00 0.00 O ATOM 0 H GLY A 79 -6.952 6.852 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.949 5.211 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.500 6.195 -9.059 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.497 3.115 -9.357 1.00 0.00 N ATOM 1258 CA PRO A 80 -5.740 1.850 -9.409 1.00 0.00 C ATOM 1259 C PRO A 80 -4.308 2.055 -9.955 1.00 0.00 C ATOM 1260 O PRO A 80 -4.097 2.146 -11.170 1.00 0.00 O ATOM 1261 CB PRO A 80 -6.607 0.946 -10.324 1.00 0.00 C ATOM 1262 CG PRO A 80 -7.410 1.886 -11.168 1.00 0.00 C ATOM 1263 CD PRO A 80 -7.664 3.098 -10.295 1.00 0.00 C ATOM 0 HA PRO A 80 -5.582 1.408 -8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.984 0.299 -10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.254 0.297 -9.735 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.868 2.161 -12.073 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.347 1.427 -11.484 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.715 4.013 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.608 3.012 -9.757 1.00 0.00 H new ATOM 1271 N ASP A 81 -3.334 2.175 -9.034 1.00 0.00 N ATOM 1272 CA ASP A 81 -1.913 2.406 -9.379 1.00 0.00 C ATOM 1273 C ASP A 81 -1.053 1.204 -8.980 1.00 0.00 C ATOM 1274 O ASP A 81 -0.892 0.918 -7.794 1.00 0.00 O ATOM 1275 CB ASP A 81 -1.374 3.691 -8.693 1.00 0.00 C ATOM 1276 CG ASP A 81 -1.953 4.980 -9.300 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -1.570 5.328 -10.440 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -2.796 5.642 -8.659 1.00 0.00 O ATOM 0 H ASP A 81 -3.506 2.115 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.854 2.538 -10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.612 3.657 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.287 3.713 -8.775 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.506 0.512 -9.991 1.00 0.00 N ATOM 1284 CA GLU A 82 0.399 -0.632 -9.792 1.00 0.00 C ATOM 1285 C GLU A 82 1.791 -0.167 -9.361 1.00 0.00 C ATOM 1286 O GLU A 82 2.471 0.570 -10.086 1.00 0.00 O ATOM 1287 CB GLU A 82 0.489 -1.483 -11.077 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.824 -2.170 -11.449 1.00 0.00 C ATOM 1289 CD GLU A 82 -0.711 -3.078 -12.674 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -0.310 -4.251 -12.523 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -1.016 -2.619 -13.793 1.00 0.00 O ATOM 0 H GLU A 82 -0.679 0.730 -10.972 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.013 -1.249 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.803 -0.846 -11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.262 -2.241 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.170 -2.760 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.582 -1.410 -11.639 1.00 0.00 H new ATOM 1298 N VAL A 83 2.182 -0.596 -8.158 1.00 0.00 N ATOM 1299 CA VAL A 83 3.489 -0.310 -7.563 1.00 0.00 C ATOM 1300 C VAL A 83 4.277 -1.620 -7.463 1.00 0.00 C ATOM 1301 O VAL A 83 3.715 -2.643 -7.083 1.00 0.00 O ATOM 1302 CB VAL A 83 3.306 0.349 -6.150 1.00 0.00 C ATOM 1303 CG1 VAL A 83 4.657 0.584 -5.452 1.00 0.00 C ATOM 1304 CG2 VAL A 83 2.507 1.664 -6.283 1.00 0.00 C ATOM 0 H VAL A 83 1.585 -1.165 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 83 4.041 0.393 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 83 2.743 -0.341 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.488 1.041 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.170 -0.369 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.271 1.246 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.384 2.116 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.046 2.353 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.527 1.453 -6.711 1.00 0.00 H new ATOM 1314 N THR A 84 5.561 -1.586 -7.833 1.00 0.00 N ATOM 1315 CA THR A 84 6.445 -2.749 -7.770 1.00 0.00 C ATOM 1316 C THR A 84 7.408 -2.605 -6.583 1.00 0.00 C ATOM 1317 O THR A 84 8.291 -1.739 -6.603 1.00 0.00 O ATOM 1318 CB THR A 84 7.263 -2.900 -9.099 1.00 0.00 C ATOM 1319 OG1 THR A 84 6.373 -2.853 -10.229 1.00 0.00 O ATOM 1320 CG2 THR A 84 8.070 -4.211 -9.140 1.00 0.00 C ATOM 0 H THR A 84 6.017 -0.745 -8.186 1.00 0.00 H new ATOM 0 HA THR A 84 5.833 -3.641 -7.638 1.00 0.00 H new ATOM 0 HB THR A 84 7.970 -2.071 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.887 -3.701 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.620 -4.271 -10.079 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.772 -4.232 -8.307 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.390 -5.059 -9.063 1.00 0.00 H new ATOM 1328 N VAL A 85 7.229 -3.435 -5.542 1.00 0.00 N ATOM 1329 CA VAL A 85 8.249 -3.600 -4.507 1.00 0.00 C ATOM 1330 C VAL A 85 9.067 -4.830 -4.893 1.00 0.00 C ATOM 1331 O VAL A 85 8.589 -5.974 -4.836 1.00 0.00 O ATOM 1332 CB VAL A 85 7.657 -3.750 -3.057 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.768 -4.000 -2.007 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.825 -2.509 -2.681 1.00 0.00 C ATOM 0 H VAL A 85 6.390 -3.997 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 85 8.863 -2.700 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 85 7.004 -4.623 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.319 -4.098 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.303 -4.917 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.464 -3.162 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.424 -2.631 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.459 -1.623 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.003 -2.394 -3.388 1.00 0.00 H new ATOM 1344 N ASP A 86 10.291 -4.559 -5.318 1.00 0.00 N ATOM 1345 CA ASP A 86 11.265 -5.556 -5.742 1.00 0.00 C ATOM 1346 C ASP A 86 12.384 -5.607 -4.723 1.00 0.00 C ATOM 1347 O ASP A 86 12.421 -4.803 -3.793 1.00 0.00 O ATOM 1348 CB ASP A 86 11.806 -5.215 -7.157 1.00 0.00 C ATOM 1349 CG ASP A 86 12.209 -3.748 -7.320 1.00 0.00 C ATOM 1350 OD1 ASP A 86 13.264 -3.345 -6.798 1.00 0.00 O ATOM 1351 OD2 ASP A 86 11.454 -2.978 -7.951 1.00 0.00 O ATOM 0 H ASP A 86 10.647 -3.605 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 86 10.793 -6.537 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.669 -5.846 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.044 -5.458 -7.897 1.00 0.00 H new ATOM 1356 N SER A 87 13.311 -6.526 -4.944 1.00 0.00 N ATOM 1357 CA SER A 87 14.425 -6.790 -4.021 1.00 0.00 C ATOM 1358 C SER A 87 15.347 -5.568 -3.799 1.00 0.00 C ATOM 1359 O SER A 87 16.010 -5.459 -2.761 1.00 0.00 O ATOM 1360 CB SER A 87 15.215 -7.986 -4.546 1.00 0.00 C ATOM 1361 OG SER A 87 14.367 -9.120 -4.646 1.00 0.00 O ATOM 0 H SER A 87 13.319 -7.119 -5.774 1.00 0.00 H new ATOM 0 HA SER A 87 14.003 -7.010 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.640 -7.752 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.049 -8.203 -3.879 1.00 0.00 H new ATOM 0 HG SER A 87 14.865 -9.867 -5.038 1.00 0.00 H new ATOM 1367 N LYS A 88 15.360 -4.649 -4.768 1.00 0.00 N ATOM 1368 CA LYS A 88 16.191 -3.440 -4.718 1.00 0.00 C ATOM 1369 C LYS A 88 15.546 -2.389 -3.791 1.00 0.00 C ATOM 1370 O LYS A 88 16.209 -1.879 -2.876 1.00 0.00 O ATOM 1371 CB LYS A 88 16.389 -2.888 -6.150 1.00 0.00 C ATOM 1372 CG LYS A 88 16.946 -3.939 -7.136 1.00 0.00 C ATOM 1373 CD LYS A 88 16.990 -3.435 -8.593 1.00 0.00 C ATOM 1374 CE LYS A 88 17.467 -4.525 -9.563 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.444 -4.062 -10.977 1.00 0.00 N ATOM 0 H LYS A 88 14.793 -4.721 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 88 17.171 -3.685 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.435 -2.518 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.069 -2.037 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.951 -4.224 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.331 -4.837 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.998 -3.095 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.655 -2.574 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.480 -4.829 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.833 -5.405 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.773 -4.828 -11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.473 -3.796 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.069 -3.238 -11.083 1.00 0.00 H new ATOM 1389 N ASN A 89 14.244 -2.083 -4.005 1.00 0.00 N ATOM 1390 CA ASN A 89 13.515 -1.072 -3.179 1.00 0.00 C ATOM 1391 C ASN A 89 12.795 -1.727 -1.974 1.00 0.00 C ATOM 1392 O ASN A 89 12.062 -1.052 -1.245 1.00 0.00 O ATOM 1393 CB ASN A 89 12.522 -0.233 -4.041 1.00 0.00 C ATOM 1394 CG ASN A 89 11.174 -0.914 -4.340 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.051 -1.556 -5.474 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 10.239 -0.825 -3.550 1.00 0.00 N flip ATOM 0 H ASN A 89 13.675 -2.514 -4.734 1.00 0.00 H new ATOM 0 HA ASN A 89 14.264 -0.388 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.329 0.710 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.005 0.012 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.359 -0.319 -2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.342 -1.257 -3.771 1.00 0.00 H new ATOM 1403 N PHE A 90 13.035 -3.039 -1.765 1.00 0.00 N ATOM 1404 CA PHE A 90 12.437 -3.844 -0.663 1.00 0.00 C ATOM 1405 C PHE A 90 12.695 -3.222 0.718 1.00 0.00 C ATOM 1406 O PHE A 90 11.855 -3.298 1.616 1.00 0.00 O ATOM 1407 CB PHE A 90 13.007 -5.294 -0.706 1.00 0.00 C ATOM 1408 CG PHE A 90 12.553 -6.217 0.434 1.00 0.00 C ATOM 1409 CD1 PHE A 90 11.208 -6.549 0.597 1.00 0.00 C ATOM 1410 CD2 PHE A 90 13.471 -6.741 1.350 1.00 0.00 C ATOM 1411 CE1 PHE A 90 10.801 -7.375 1.630 1.00 0.00 C ATOM 1412 CE2 PHE A 90 13.057 -7.569 2.381 1.00 0.00 C ATOM 1413 CZ PHE A 90 11.722 -7.883 2.522 1.00 0.00 C ATOM 0 H PHE A 90 13.658 -3.583 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 90 11.358 -3.861 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.722 -5.750 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 90 14.096 -5.238 -0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.475 -6.156 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.518 -6.497 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.756 -7.623 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 90 13.781 -7.969 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.399 -8.525 3.328 1.00 0.00 H new ATOM 1423 N LEU A 91 13.866 -2.605 0.864 1.00 0.00 N ATOM 1424 CA LEU A 91 14.310 -2.028 2.134 1.00 0.00 C ATOM 1425 C LEU A 91 13.631 -0.678 2.404 1.00 0.00 C ATOM 1426 O LEU A 91 13.513 -0.266 3.559 1.00 0.00 O ATOM 1427 CB LEU A 91 15.858 -1.886 2.151 1.00 0.00 C ATOM 1428 CG LEU A 91 16.676 -3.223 2.091 1.00 0.00 C ATOM 1429 CD1 LEU A 91 16.135 -4.248 3.117 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.725 -3.823 0.660 1.00 0.00 C ATOM 0 H LEU A 91 14.536 -2.490 0.104 1.00 0.00 H new ATOM 0 HA LEU A 91 14.016 -2.706 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.154 -1.265 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.143 -1.350 3.056 1.00 0.00 H new ATOM 0 HG LEU A 91 17.704 -2.983 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.719 -5.167 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.215 -3.834 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 91 15.090 -4.467 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 91 17.303 -4.747 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.711 -4.033 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 91 17.195 -3.110 -0.017 1.00 0.00 H new ATOM 1442 N ASP A 92 13.178 -0.015 1.338 1.00 0.00 N ATOM 1443 CA ASP A 92 12.521 1.296 1.423 1.00 0.00 C ATOM 1444 C ASP A 92 10.995 1.117 1.468 1.00 0.00 C ATOM 1445 O ASP A 92 10.388 0.616 0.512 1.00 0.00 O ATOM 1446 CB ASP A 92 12.939 2.174 0.214 1.00 0.00 C ATOM 1447 CG ASP A 92 14.454 2.447 0.180 1.00 0.00 C ATOM 1448 OD1 ASP A 92 15.218 1.553 -0.238 1.00 0.00 O ATOM 1449 OD2 ASP A 92 14.899 3.544 0.600 1.00 0.00 O ATOM 0 H ASP A 92 13.256 -0.372 0.386 1.00 0.00 H new ATOM 0 HA ASP A 92 12.834 1.798 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.641 1.679 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.403 3.122 0.255 1.00 0.00 H new ATOM 1454 N LYS A 93 10.376 1.523 2.598 1.00 0.00 N ATOM 1455 CA LYS A 93 8.912 1.530 2.750 1.00 0.00 C ATOM 1456 C LYS A 93 8.341 2.781 2.056 1.00 0.00 C ATOM 1457 O LYS A 93 8.504 3.917 2.513 1.00 0.00 O ATOM 1458 CB LYS A 93 8.501 1.443 4.250 1.00 0.00 C ATOM 1459 CG LYS A 93 9.083 2.551 5.157 1.00 0.00 C ATOM 1460 CD LYS A 93 8.745 2.355 6.654 1.00 0.00 C ATOM 1461 CE LYS A 93 7.233 2.371 6.941 1.00 0.00 C ATOM 1462 NZ LYS A 93 6.924 2.232 8.392 1.00 0.00 N ATOM 0 H LYS A 93 10.877 1.852 3.423 1.00 0.00 H new ATOM 0 HA LYS A 93 8.489 0.648 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.413 1.477 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.814 0.475 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.166 2.578 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.701 3.518 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.163 1.407 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.227 3.142 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.806 3.303 6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.754 1.560 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.893 2.249 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.306 1.331 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.357 3.019 8.916 1.00 0.00 H new ATOM 1476 N GLN A 94 7.718 2.552 0.906 1.00 0.00 N ATOM 1477 CA GLN A 94 7.092 3.608 0.084 1.00 0.00 C ATOM 1478 C GLN A 94 5.605 3.797 0.447 1.00 0.00 C ATOM 1479 O GLN A 94 4.764 4.066 -0.417 1.00 0.00 O ATOM 1480 CB GLN A 94 7.307 3.311 -1.426 1.00 0.00 C ATOM 1481 CG GLN A 94 7.055 1.856 -1.882 1.00 0.00 C ATOM 1482 CD GLN A 94 7.300 1.655 -3.384 1.00 0.00 C ATOM 1483 OE1 GLN A 94 7.832 0.514 -3.763 1.00 0.00 O flip ATOM 1484 NE2 GLN A 94 7.054 2.546 -4.194 1.00 0.00 N flip ATOM 0 H GLN A 94 7.626 1.619 0.504 1.00 0.00 H new ATOM 0 HA GLN A 94 7.580 4.558 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.653 3.967 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.332 3.577 -1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.705 1.186 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.028 1.578 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.641 3.423 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.263 2.408 -5.183 1.00 0.00 H new ATOM 1493 N ASN A 95 5.315 3.692 1.752 1.00 0.00 N ATOM 1494 CA ASN A 95 3.978 3.920 2.330 1.00 0.00 C ATOM 1495 C ASN A 95 3.598 5.408 2.278 1.00 0.00 C ATOM 1496 O ASN A 95 4.475 6.285 2.259 1.00 0.00 O ATOM 1497 CB ASN A 95 3.929 3.414 3.797 1.00 0.00 C ATOM 1498 CG ASN A 95 4.942 4.106 4.729 1.00 0.00 C ATOM 1499 OD1 ASN A 95 6.104 4.298 4.374 1.00 0.00 O ATOM 1500 ND2 ASN A 95 4.506 4.517 5.906 1.00 0.00 N ATOM 0 H ASN A 95 6.015 3.442 2.450 1.00 0.00 H new ATOM 0 HA ASN A 95 3.257 3.360 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.924 3.567 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.115 2.340 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.137 5.005 6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.538 4.347 6.179 1.00 0.00 H new ATOM 1507 N ARG A 96 2.287 5.684 2.261 1.00 0.00 N ATOM 1508 CA ARG A 96 1.755 7.060 2.165 1.00 0.00 C ATOM 1509 C ARG A 96 0.708 7.341 3.248 1.00 0.00 C ATOM 1510 O ARG A 96 -0.108 6.474 3.594 1.00 0.00 O ATOM 1511 CB ARG A 96 1.105 7.306 0.773 1.00 0.00 C ATOM 1512 CG ARG A 96 2.088 7.481 -0.408 1.00 0.00 C ATOM 1513 CD ARG A 96 2.990 8.716 -0.239 1.00 0.00 C ATOM 1514 NE ARG A 96 2.240 9.927 0.161 1.00 0.00 N ATOM 1515 CZ ARG A 96 1.451 10.673 -0.637 1.00 0.00 C ATOM 1516 NH1 ARG A 96 1.259 10.358 -1.920 1.00 0.00 N ATOM 1517 NH2 ARG A 96 0.824 11.717 -0.127 1.00 0.00 N ATOM 0 H ARG A 96 1.564 4.967 2.313 1.00 0.00 H new ATOM 0 HA ARG A 96 2.601 7.733 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.443 6.469 0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.481 8.198 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.709 6.590 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.524 7.570 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.752 8.503 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.510 8.910 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 96 2.329 10.225 1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.714 9.536 -2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.657 10.939 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.940 11.950 0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.224 12.291 -0.719 1.00 0.00 H new ATOM 1531 N GLU A 97 0.757 8.567 3.779 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.331 9.158 4.556 1.00 0.00 C ATOM 1533 C GLU A 97 -1.044 10.147 3.630 1.00 0.00 C ATOM 1534 O GLU A 97 -0.460 11.165 3.234 1.00 0.00 O ATOM 1535 CB GLU A 97 0.232 9.837 5.840 1.00 0.00 C ATOM 1536 CG GLU A 97 -0.822 10.400 6.825 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.381 11.785 6.433 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -0.665 12.792 6.603 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -2.543 11.880 5.972 1.00 0.00 O ATOM 0 H GLU A 97 1.564 9.182 3.679 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.041 8.407 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.847 9.111 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.890 10.652 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.649 9.694 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.375 10.469 7.817 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.279 9.810 3.233 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.110 10.659 2.372 1.00 0.00 C ATOM 1548 C GLU A 98 -4.359 11.119 3.127 1.00 0.00 C ATOM 1549 O GLU A 98 -4.967 10.346 3.852 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.517 9.893 1.081 1.00 0.00 C ATOM 1551 CG GLU A 98 -4.495 10.677 0.174 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.680 10.075 -1.219 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -3.801 10.301 -2.083 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -5.692 9.380 -1.467 1.00 0.00 O ATOM 0 H GLU A 98 -2.731 8.936 3.502 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.528 11.536 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.618 9.656 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.976 8.945 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.466 10.729 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.135 11.700 0.070 1.00 0.00 H new ATOM 1561 N THR A 99 -4.684 12.403 2.981 1.00 0.00 N ATOM 1562 CA THR A 99 -5.964 12.964 3.397 1.00 0.00 C ATOM 1563 C THR A 99 -6.738 13.411 2.147 1.00 0.00 C ATOM 1564 O THR A 99 -6.253 14.260 1.382 1.00 0.00 O ATOM 1565 CB THR A 99 -5.759 14.167 4.369 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.006 13.730 5.511 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.094 14.765 4.844 1.00 0.00 C ATOM 0 H THR A 99 -4.056 13.090 2.565 1.00 0.00 H new ATOM 0 HA THR A 99 -6.532 12.203 3.932 1.00 0.00 H new ATOM 0 HB THR A 99 -5.222 14.944 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.874 14.484 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.900 15.599 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.661 15.119 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.669 14.001 5.368 1.00 0.00 H new ATOM 1575 N VAL A 100 -7.920 12.817 1.927 1.00 0.00 N ATOM 1576 CA VAL A 100 -8.822 13.235 0.851 1.00 0.00 C ATOM 1577 C VAL A 100 -9.742 14.340 1.419 1.00 0.00 C ATOM 1578 O VAL A 100 -10.160 14.272 2.595 1.00 0.00 O ATOM 1579 CB VAL A 100 -9.652 12.016 0.260 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -8.827 10.701 0.287 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.017 11.815 0.936 1.00 0.00 C ATOM 0 H VAL A 100 -8.273 12.040 2.486 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.245 13.623 0.012 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.859 12.279 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.425 9.888 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.924 10.826 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.552 10.465 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.527 10.966 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.872 11.624 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.622 12.712 0.808 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.024 15.363 0.609 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.798 16.542 1.045 1.00 0.00 C ATOM 1593 C ILE A 101 -12.234 16.477 0.507 1.00 0.00 C ATOM 1594 O ILE A 101 -12.430 16.402 -0.686 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.074 17.859 0.570 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.686 18.006 1.276 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.943 19.118 0.779 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.739 18.099 2.806 1.00 0.00 C ATOM 0 H ILE A 101 -9.726 15.404 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.853 16.548 2.134 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.911 17.770 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.064 17.154 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.193 18.898 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.398 19.997 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.868 19.020 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.177 19.227 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.727 18.198 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.329 18.968 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.198 17.197 3.210 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.225 16.464 1.402 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.641 16.574 1.045 1.00 0.00 C ATOM 1612 C TYR A 102 -15.031 18.039 0.923 1.00 0.00 C ATOM 1613 O TYR A 102 -15.220 18.726 1.925 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.540 15.865 2.094 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.445 14.344 2.050 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -14.351 13.675 2.598 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -16.433 13.579 1.434 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -14.253 12.310 2.530 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -16.334 12.209 1.375 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.241 11.583 1.922 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.135 10.227 1.856 1.00 0.00 O ATOM 0 H TYR A 102 -13.065 16.376 2.405 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.792 16.080 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.263 16.209 3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.576 16.161 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -13.570 14.241 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -17.290 14.070 0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.397 11.808 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -17.112 11.628 0.901 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.264 9.949 2.210 1.00 0.00 H new ATOM 1631 N SER A 103 -15.187 18.506 -0.308 1.00 0.00 N ATOM 1632 CA SER A 103 -15.660 19.863 -0.580 1.00 0.00 C ATOM 1633 C SER A 103 -17.143 19.777 -0.878 1.00 0.00 C ATOM 1634 O SER A 103 -17.631 18.713 -1.278 1.00 0.00 O ATOM 1635 CB SER A 103 -14.897 20.479 -1.780 1.00 0.00 C ATOM 1636 OG SER A 103 -15.485 21.693 -2.256 1.00 0.00 O ATOM 0 H SER A 103 -14.991 17.959 -1.146 1.00 0.00 H new ATOM 0 HA SER A 103 -15.481 20.507 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.865 20.673 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.866 19.754 -2.594 1.00 0.00 H new ATOM 0 HG SER A 103 -15.738 22.255 -1.494 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.860 20.886 -0.656 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.241 21.046 -1.118 1.00 0.00 C ATOM 1644 C ALA A 104 -19.328 20.671 -2.611 1.00 0.00 C ATOM 1645 O ALA A 104 -18.492 21.119 -3.398 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.702 22.487 -0.873 1.00 0.00 C ATOM 0 H ALA A 104 -17.498 21.695 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.902 20.382 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.730 22.604 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.649 22.710 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.056 23.174 -1.420 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.279 19.788 -2.980 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.392 19.282 -4.364 1.00 0.00 C ATOM 1654 C ASN A 105 -20.776 20.414 -5.338 1.00 0.00 C ATOM 1655 O ASN A 105 -21.331 21.437 -4.917 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.389 18.088 -4.464 1.00 0.00 C ATOM 1657 CG ASN A 105 -22.808 18.366 -3.947 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -23.288 19.493 -3.933 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -23.509 17.323 -3.563 1.00 0.00 N ATOM 0 H ASN A 105 -20.978 19.411 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.411 18.907 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.455 17.779 -5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.977 17.246 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -24.471 17.444 -3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -23.091 16.393 -3.582 1.00 0.00 H new ATOM 1666 N THR A 106 -20.485 20.211 -6.635 1.00 0.00 N ATOM 1667 CA THR A 106 -20.755 21.210 -7.701 1.00 0.00 C ATOM 1668 C THR A 106 -22.256 21.587 -7.790 1.00 0.00 C ATOM 1669 O THR A 106 -22.610 22.635 -8.341 1.00 0.00 O ATOM 1670 CB THR A 106 -20.246 20.705 -9.098 1.00 0.00 C ATOM 1671 OG1 THR A 106 -20.409 21.726 -10.096 1.00 0.00 O ATOM 1672 CG2 THR A 106 -20.975 19.441 -9.567 1.00 0.00 C ATOM 0 H THR A 106 -20.056 19.352 -6.980 1.00 0.00 H new ATOM 0 HA THR A 106 -20.202 22.108 -7.426 1.00 0.00 H new ATOM 0 HB THR A 106 -19.190 20.465 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 106 -20.085 21.394 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 106 -20.585 19.135 -10.538 1.00 0.00 H new ATOM 0 HG22 THR A 106 -20.818 18.641 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 106 -22.042 19.647 -9.654 1.00 0.00 H new ATOM 1680 N ILE A 107 -23.109 20.717 -7.226 1.00 0.00 N ATOM 1681 CA ILE A 107 -24.563 20.899 -7.171 1.00 0.00 C ATOM 1682 C ILE A 107 -24.928 22.105 -6.279 1.00 0.00 C ATOM 1683 O ILE A 107 -25.731 22.965 -6.671 1.00 0.00 O ATOM 1684 CB ILE A 107 -25.236 19.595 -6.606 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -24.795 18.335 -7.421 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -26.775 19.736 -6.569 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -25.158 17.006 -6.775 1.00 0.00 C ATOM 0 H ILE A 107 -22.798 19.850 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 107 -24.930 21.092 -8.179 1.00 0.00 H new ATOM 0 HB ILE A 107 -24.894 19.457 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -25.251 18.380 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -23.715 18.371 -7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -27.215 18.820 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -27.048 20.575 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -27.149 19.912 -7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -24.815 16.188 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -24.680 16.934 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -26.240 16.943 -6.656 1.00 0.00 H new ATOM 1699 N THR A 108 -24.339 22.145 -5.075 1.00 0.00 N ATOM 1700 CA THR A 108 -24.602 23.214 -4.097 1.00 0.00 C ATOM 1701 C THR A 108 -23.629 24.396 -4.281 1.00 0.00 C ATOM 1702 O THR A 108 -23.908 25.502 -3.808 1.00 0.00 O ATOM 1703 CB THR A 108 -24.562 22.681 -2.628 1.00 0.00 C ATOM 1704 OG1 THR A 108 -25.057 23.678 -1.714 1.00 0.00 O ATOM 1705 CG2 THR A 108 -23.158 22.237 -2.188 1.00 0.00 C ATOM 0 H THR A 108 -23.672 21.444 -4.752 1.00 0.00 H new ATOM 0 HA THR A 108 -25.612 23.577 -4.286 1.00 0.00 H new ATOM 0 HB THR A 108 -25.205 21.801 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 108 -25.026 23.327 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 108 -23.196 21.877 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 108 -22.809 21.436 -2.840 1.00 0.00 H new ATOM 0 HG23 THR A 108 -22.472 23.082 -2.252 1.00 0.00 H new ATOM 1713 N GLN A 109 -22.487 24.161 -4.961 1.00 0.00 N ATOM 1714 CA GLN A 109 -21.565 25.243 -5.345 1.00 0.00 C ATOM 1715 C GLN A 109 -22.151 25.981 -6.553 1.00 0.00 C ATOM 1716 O GLN A 109 -21.886 25.615 -7.703 1.00 0.00 O ATOM 1717 CB GLN A 109 -20.135 24.718 -5.684 1.00 0.00 C ATOM 1718 CG GLN A 109 -19.336 24.137 -4.508 1.00 0.00 C ATOM 1719 CD GLN A 109 -17.915 23.703 -4.897 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -17.662 23.315 -6.041 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -16.989 23.740 -3.951 1.00 0.00 N ATOM 0 H GLN A 109 -22.184 23.232 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 109 -21.460 25.916 -4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -20.224 23.950 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -19.562 25.537 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -19.277 24.882 -3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -19.872 23.280 -4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -17.229 24.066 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -16.036 23.443 -4.159 1.00 0.00 H new ATOM 1730 N ASN A 110 -22.994 26.982 -6.284 1.00 0.00 N ATOM 1731 CA ASN A 110 -23.618 27.802 -7.335 1.00 0.00 C ATOM 1732 C ASN A 110 -22.653 28.901 -7.798 1.00 0.00 C ATOM 1733 O ASN A 110 -21.560 29.076 -7.236 1.00 0.00 O ATOM 1734 CB ASN A 110 -24.946 28.415 -6.821 1.00 0.00 C ATOM 1735 CG ASN A 110 -26.062 27.373 -6.627 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -26.905 27.185 -7.510 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -26.064 26.675 -5.495 1.00 0.00 N ATOM 0 H ASN A 110 -23.264 27.249 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 110 -23.844 27.165 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -24.762 28.921 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -25.285 29.174 -7.526 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -26.775 25.961 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -25.354 26.854 -4.785 1.00 0.00 H new ATOM 1744 N LYS A 111 -23.071 29.649 -8.831 1.00 0.00 N ATOM 1745 CA LYS A 111 -22.250 30.698 -9.438 1.00 0.00 C ATOM 1746 C LYS A 111 -22.305 31.970 -8.587 1.00 0.00 C ATOM 1747 O LYS A 111 -23.225 32.779 -8.705 1.00 0.00 O ATOM 1748 CB LYS A 111 -22.705 30.963 -10.893 1.00 0.00 C ATOM 1749 CG LYS A 111 -22.768 29.700 -11.784 1.00 0.00 C ATOM 1750 CD LYS A 111 -21.447 28.905 -11.832 1.00 0.00 C ATOM 1751 CE LYS A 111 -20.249 29.733 -12.334 1.00 0.00 C ATOM 1752 NZ LYS A 111 -19.012 28.904 -12.442 1.00 0.00 N ATOM 0 H LYS A 111 -23.987 29.541 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 111 -21.212 30.366 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -23.691 31.428 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -22.023 31.681 -11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -23.561 29.048 -11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -23.041 29.995 -12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -21.224 28.526 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -21.577 28.039 -12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -20.486 30.162 -13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -20.071 30.565 -11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -18.227 29.495 -12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -18.772 28.515 -11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -19.174 28.124 -13.111 1.00 0.00 H new ATOM 1766 N LYS A 112 -21.312 32.105 -7.712 1.00 0.00 N ATOM 1767 CA LYS A 112 -21.246 33.175 -6.706 1.00 0.00 C ATOM 1768 C LYS A 112 -19.790 33.444 -6.309 1.00 0.00 C ATOM 1769 O LYS A 112 -19.375 34.601 -6.200 1.00 0.00 O ATOM 1770 CB LYS A 112 -22.112 32.803 -5.466 1.00 0.00 C ATOM 1771 CG LYS A 112 -21.854 31.400 -4.880 1.00 0.00 C ATOM 1772 CD LYS A 112 -22.696 31.129 -3.621 1.00 0.00 C ATOM 1773 CE LYS A 112 -22.263 31.966 -2.414 1.00 0.00 C ATOM 1774 NZ LYS A 112 -20.899 31.612 -1.954 1.00 0.00 N ATOM 0 H LYS A 112 -20.516 31.468 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 112 -21.650 34.092 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -21.936 33.543 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -23.164 32.876 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -22.080 30.646 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -20.796 31.300 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -23.743 31.335 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -22.626 30.072 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -22.294 33.024 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -22.971 31.819 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -20.955 31.156 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -20.462 30.957 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -20.322 32.474 -1.884 1.00 0.00 H new ATOM 1788 N ASP A 113 -19.026 32.365 -6.097 1.00 0.00 N ATOM 1789 CA ASP A 113 -17.582 32.440 -5.802 1.00 0.00 C ATOM 1790 C ASP A 113 -16.817 31.356 -6.575 1.00 0.00 C ATOM 1791 O ASP A 113 -17.413 30.516 -7.264 1.00 0.00 O ATOM 1792 CB ASP A 113 -17.309 32.307 -4.274 1.00 0.00 C ATOM 1793 CG ASP A 113 -17.535 30.878 -3.730 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -18.680 30.548 -3.365 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -16.563 30.084 -3.670 1.00 0.00 O ATOM 0 H ASP A 113 -19.388 31.412 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 113 -17.227 33.419 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.281 32.607 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -17.957 32.999 -3.736 1.00 0.00 H new ATOM 1800 N GLY A 114 -15.495 31.387 -6.413 1.00 0.00 N ATOM 1801 CA GLY A 114 -14.591 30.425 -7.012 1.00 0.00 C ATOM 1802 C GLY A 114 -13.245 30.487 -6.348 1.00 0.00 C ATOM 1803 O GLY A 114 -12.232 30.791 -6.999 1.00 0.00 O ATOM 0 H GLY A 114 -15.021 32.095 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.004 29.421 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.487 30.628 -8.078 1.00 0.00 H new ATOM 1807 N LEU A 115 -13.246 30.206 -5.028 1.00 0.00 N ATOM 1808 CA LEU A 115 -12.029 30.211 -4.189 1.00 0.00 C ATOM 1809 C LEU A 115 -10.981 29.256 -4.784 1.00 0.00 C ATOM 1810 O LEU A 115 -9.786 29.579 -4.858 1.00 0.00 O ATOM 1811 CB LEU A 115 -12.355 29.802 -2.726 1.00 0.00 C ATOM 1812 CG LEU A 115 -13.528 30.560 -2.025 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -13.724 30.063 -0.573 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -13.346 32.092 -2.078 1.00 0.00 C ATOM 0 H LEU A 115 -14.094 29.969 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.628 31.224 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -12.585 28.737 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.455 29.940 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 115 -14.436 30.332 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -14.547 30.608 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.953 28.997 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.810 30.233 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.185 32.576 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.418 32.366 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -13.306 32.418 -3.117 1.00 0.00 H new ATOM 1826 N GLU A 116 -11.484 28.097 -5.230 1.00 0.00 N ATOM 1827 CA GLU A 116 -10.718 27.116 -5.998 1.00 0.00 C ATOM 1828 C GLU A 116 -11.686 26.091 -6.619 1.00 0.00 C ATOM 1829 O GLU A 116 -12.637 25.646 -5.958 1.00 0.00 O ATOM 1830 CB GLU A 116 -9.673 26.400 -5.099 1.00 0.00 C ATOM 1831 CG GLU A 116 -8.772 25.382 -5.828 1.00 0.00 C ATOM 1832 CD GLU A 116 -7.800 24.679 -4.875 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -8.218 23.714 -4.195 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -6.621 25.093 -4.783 1.00 0.00 O ATOM 0 H GLU A 116 -12.450 27.814 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.176 27.631 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.039 27.155 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.200 25.886 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.395 24.637 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.207 25.893 -6.608 1.00 0.00 H new ATOM 1841 N HIS A 117 -11.441 25.739 -7.887 1.00 0.00 N ATOM 1842 CA HIS A 117 -12.210 24.721 -8.608 1.00 0.00 C ATOM 1843 C HIS A 117 -11.829 23.314 -8.106 1.00 0.00 C ATOM 1844 O HIS A 117 -10.646 23.025 -7.864 1.00 0.00 O ATOM 1845 CB HIS A 117 -11.954 24.824 -10.122 1.00 0.00 C ATOM 1846 CG HIS A 117 -12.402 26.109 -10.778 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -13.341 26.150 -11.781 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -12.001 27.391 -10.603 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -13.484 27.388 -12.198 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -12.687 28.164 -11.498 1.00 0.00 N ATOM 0 H HIS A 117 -10.697 26.157 -8.445 1.00 0.00 H new ATOM 0 HA HIS A 117 -13.270 24.892 -8.420 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -10.886 24.700 -10.300 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -12.458 23.992 -10.614 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -11.272 27.739 -9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -14.147 27.714 -12.986 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -12.596 29.174 -11.605 1.00 0.00 H new ATOM 1859 N HIS A 118 -12.836 22.440 -8.002 1.00 0.00 N ATOM 1860 CA HIS A 118 -12.707 21.074 -7.452 1.00 0.00 C ATOM 1861 C HIS A 118 -12.230 20.055 -8.539 1.00 0.00 C ATOM 1862 O HIS A 118 -12.523 18.866 -8.465 1.00 0.00 O ATOM 1863 CB HIS A 118 -14.079 20.680 -6.814 1.00 0.00 C ATOM 1864 CG HIS A 118 -14.087 19.401 -6.017 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -15.190 18.589 -5.916 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -13.133 18.819 -5.258 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -14.915 17.567 -5.140 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -13.677 17.679 -4.719 1.00 0.00 N ATOM 0 H HIS A 118 -13.785 22.661 -8.302 1.00 0.00 H new ATOM 0 HA HIS A 118 -11.936 21.050 -6.682 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -14.403 21.493 -6.164 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.818 20.594 -7.611 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -16.086 18.755 -6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.128 19.183 -5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -15.595 16.766 -4.889 1.00 0.00 H new ATOM 1877 N HIS A 119 -11.482 20.544 -9.545 1.00 0.00 N ATOM 1878 CA HIS A 119 -10.826 19.702 -10.585 1.00 0.00 C ATOM 1879 C HIS A 119 -9.835 20.544 -11.404 1.00 0.00 C ATOM 1880 O HIS A 119 -9.464 20.160 -12.520 1.00 0.00 O ATOM 1881 CB HIS A 119 -11.876 19.029 -11.522 1.00 0.00 C ATOM 1882 CG HIS A 119 -12.807 19.980 -12.228 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -14.084 20.243 -11.790 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -12.649 20.714 -13.355 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -14.664 21.087 -12.613 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -13.817 21.393 -13.573 1.00 0.00 N ATOM 0 H HIS A 119 -11.309 21.542 -9.668 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.280 18.907 -10.077 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.347 18.440 -12.271 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.472 18.332 -10.932 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -14.514 19.844 -10.955 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.762 20.756 -13.970 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -15.670 21.467 -12.518 1.00 0.00 H new ATOM 1895 N HIS A 120 -9.383 21.666 -10.804 1.00 0.00 N ATOM 1896 CA HIS A 120 -8.678 22.766 -11.500 1.00 0.00 C ATOM 1897 C HIS A 120 -9.629 23.456 -12.492 1.00 0.00 C ATOM 1898 O HIS A 120 -10.843 23.193 -12.468 1.00 0.00 O ATOM 1899 CB HIS A 120 -7.346 22.303 -12.176 1.00 0.00 C ATOM 1900 CG HIS A 120 -6.388 21.654 -11.226 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -6.258 20.292 -11.118 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -5.535 22.182 -10.318 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -5.381 20.005 -10.185 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -4.923 21.132 -9.682 1.00 0.00 N ATOM 0 H HIS A 120 -9.499 21.837 -9.805 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.377 23.496 -10.749 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.579 21.603 -12.979 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.862 23.165 -12.635 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.368 23.232 -10.130 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -5.085 19.012 -9.881 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.227 21.211 -8.941 1.00 0.00 H new ATOM 1913 N HIS A 121 -9.082 24.351 -13.324 1.00 0.00 N ATOM 1914 CA HIS A 121 -9.849 25.178 -14.280 1.00 0.00 C ATOM 1915 C HIS A 121 -10.875 24.353 -15.093 1.00 0.00 C ATOM 1916 O HIS A 121 -10.571 23.241 -15.537 1.00 0.00 O ATOM 1917 CB HIS A 121 -8.872 25.931 -15.227 1.00 0.00 C ATOM 1918 CG HIS A 121 -8.020 25.049 -16.103 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -6.844 24.476 -15.675 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -8.187 24.637 -17.387 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -6.328 23.753 -16.649 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -7.121 23.831 -17.695 1.00 0.00 N ATOM 0 H HIS A 121 -8.078 24.528 -13.357 1.00 0.00 H new ATOM 0 HA HIS A 121 -10.424 25.901 -13.701 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -9.452 26.598 -15.865 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -8.216 26.558 -14.623 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -9.006 24.896 -18.042 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.408 23.190 -16.597 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -6.968 23.367 -18.590 1.00 0.00 H new ATOM 1931 N HIS A 122 -12.097 24.896 -15.241 1.00 0.00 N ATOM 1932 CA HIS A 122 -13.171 24.258 -16.020 1.00 0.00 C ATOM 1933 C HIS A 122 -12.800 24.256 -17.527 1.00 0.00 C ATOM 1934 O HIS A 122 -12.536 23.174 -18.088 1.00 0.00 O ATOM 1935 CB HIS A 122 -14.532 24.966 -15.774 1.00 0.00 C ATOM 1936 CG HIS A 122 -15.654 24.441 -16.634 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -15.926 24.942 -17.888 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -16.550 23.444 -16.436 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -16.929 24.284 -18.422 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -17.328 23.373 -17.565 1.00 0.00 N ATOM 1941 OXT HIS A 122 -12.730 25.351 -18.125 1.00 0.00 O ATOM 0 H HIS A 122 -12.366 25.787 -14.825 1.00 0.00 H new ATOM 0 HA HIS A 122 -13.279 23.225 -15.690 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -14.806 24.852 -14.725 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -14.414 26.034 -15.958 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -16.636 22.823 -15.557 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -17.353 24.462 -19.399 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -18.094 22.717 -17.714 1.00 0.00 H new TER 1950 HIS A 122