USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD NoAdj-H: B 315 ALY H : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 112 CYS SG : rot 175:sc= -2.56 USER MOD Set 1.2: A 116 ASN : amide:sc= 1.18 K(o=-1.4,f=-2.7) USER MOD Set 2.1: A 36 THR OG1 : rot 172:sc= 1.19 USER MOD Set 2.2: A 38 GLN : amide:sc= -2.91! K(o=-0.53!,f=0.17) USER MOD Set 2.3: A 97 SER OG : rot 115:sc= 1.08 USER MOD Set 2.4: A 99 SER OG : rot 180:sc= 0.106 USER MOD Set 3.1: A 95 TYR OH : rot -54:sc= 1.04 USER MOD Set 3.2: A 101 CYS SG : rot 58:sc= -2.29! USER MOD Set 4.1: A 73 TYR OH : rot 157:sc= 0.746 USER MOD Set 4.2: A 111 ASN : amide:sc= 0.97 K(o=1.7,f=-1.3!) USER MOD Set 5.1: A 49 THR OG1 : rot 68:sc= 2.24 USER MOD Set 5.2: A 136 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0) USER MOD Set 6.1: A 40 GLN : amide:sc= -0.0765 K(o=1.7,f=-0.25!) USER MOD Set 6.2: A 44 ASN : amide:sc= 0.828 K(o=1.7,f=-5.7!) USER MOD Set 6.3: A 48 LYS NZ :NH3+ 141:sc= 0.951 (180deg=0) USER MOD Set 7.1: A 42 MET CE :methyl -133:sc= -0.346 (180deg=-1.22) USER MOD Set 7.2: A 102 MET CE :methyl -154:sc= -0.704 (180deg=-2.06!) USER MOD Set 7.3: A 140 MET CE :methyl -168:sc= -0.118 (180deg=-0.646) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00157 USER MOD Single : A 27 SER OG : rot 180:sc= -1.74 USER MOD Single : A 28 ASN : amide:sc= -0.526! C(o=-0.53!,f=-11!) USER MOD Single : A 30 SER OG : rot 180:sc=0.000284 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 2.56 (180deg=2.25) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.23) USER MOD Single : A 41 TYR OH : rot 2:sc= 0.706 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= -0.137 (180deg=-0.785) USER MOD Single : A 53 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-6.6!) USER MOD Single : A 54 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.077) USER MOD Single : A 60 TYR OH : rot -30:sc= 1.34 USER MOD Single : A 61 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.16) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 74 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 81 MET CE :methyl 164:sc=-0.000802 (180deg=-0.384) USER MOD Single : A 83 MET CE :methyl -141:sc= -0.0014 (180deg=-1.64!) USER MOD Single : A 85 THR OG1 : rot -120:sc= 1.56 USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.988) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 93 ASN : amide:sc= 0.223 K(o=0.22,f=-1.2) USER MOD Single : A 94 TYR OH : rot 3:sc= 1.03 USER MOD Single : A 103 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.87) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 108 MET CE :methyl -165:sc= 0 (180deg=-0.0232) USER MOD Single : A 110 THR OG1 : rot 1:sc= 0.876 USER MOD Single : A 113 TYR OH : rot -176:sc= 0.776 USER MOD Single : A 115 TYR OH : rot 30:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 173:sc= -0.0958 (180deg=-0.178) USER MOD Single : A 127 GLN : amide:sc= -0.891 K(o=-0.89,f=-0.25) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.081) USER MOD Single : A 139 GLN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 -5.773 -15.331 -0.461 1.00 5.93 N ATOM 2 CA PRO A 21 -4.403 -15.792 -0.143 1.00 5.16 C ATOM 3 C PRO A 21 -4.292 -16.156 1.332 1.00 4.32 C ATOM 4 O PRO A 21 -4.898 -15.506 2.184 1.00 4.31 O ATOM 5 CB PRO A 21 -3.421 -14.679 -0.486 1.00 4.92 C ATOM 6 CG PRO A 21 -4.293 -13.525 -0.836 1.00 5.41 C ATOM 7 CD PRO A 21 -5.616 -14.112 -1.276 1.00 6.18 C ATOM 0 HA PRO A 21 -4.172 -16.682 -0.728 1.00 5.16 H new ATOM 0 HB2 PRO A 21 -2.771 -14.447 0.357 1.00 4.92 H new ATOM 0 HB3 PRO A 21 -2.776 -14.959 -1.319 1.00 4.92 H new ATOM 0 HG2 PRO A 21 -4.426 -12.864 0.021 1.00 5.41 H new ATOM 0 HG3 PRO A 21 -3.848 -12.929 -1.632 1.00 5.41 H new ATOM 0 HD2 PRO A 21 -6.435 -13.414 -1.106 1.00 6.18 H new ATOM 0 HD3 PRO A 21 -5.611 -14.345 -2.341 1.00 6.18 H new ATOM 16 N LEU A 22 -3.522 -17.194 1.625 1.00 4.14 N ATOM 17 CA LEU A 22 -3.331 -17.641 2.996 1.00 3.85 C ATOM 18 C LEU A 22 -1.868 -17.977 3.241 1.00 3.48 C ATOM 19 O LEU A 22 -1.498 -19.143 3.393 1.00 4.01 O ATOM 20 CB LEU A 22 -4.212 -18.856 3.291 1.00 4.67 C ATOM 21 CG LEU A 22 -4.782 -18.910 4.708 1.00 5.12 C ATOM 22 CD1 LEU A 22 -6.297 -19.003 4.671 1.00 5.71 C ATOM 23 CD2 LEU A 22 -4.197 -20.085 5.471 1.00 5.61 C ATOM 0 H LEU A 22 -3.018 -17.744 0.929 1.00 4.14 H new ATOM 0 HA LEU A 22 -3.622 -16.833 3.668 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -5.040 -18.867 2.582 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -3.629 -19.760 3.115 1.00 4.67 H new ATOM 0 HG LEU A 22 -4.507 -17.990 5.224 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -6.684 -19.040 5.689 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -6.703 -18.130 4.160 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -6.593 -19.906 4.137 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -4.614 -20.109 6.478 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -4.443 -21.013 4.955 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -3.114 -19.978 5.529 1.00 5.61 H new ATOM 35 N GLY A 23 -1.041 -16.948 3.268 1.00 3.17 N ATOM 36 CA GLY A 23 0.379 -17.135 3.473 1.00 3.45 C ATOM 37 C GLY A 23 1.195 -16.591 2.323 1.00 2.96 C ATOM 38 O GLY A 23 2.147 -17.225 1.864 1.00 3.32 O ATOM 0 H GLY A 23 -1.330 -15.977 3.151 1.00 3.17 H new ATOM 0 HA2 GLY A 23 0.680 -16.640 4.397 1.00 3.45 H new ATOM 0 HA3 GLY A 23 0.590 -18.197 3.597 1.00 3.45 H new ATOM 42 N SER A 24 0.813 -15.413 1.857 1.00 2.37 N ATOM 43 CA SER A 24 1.519 -14.745 0.775 1.00 1.94 C ATOM 44 C SER A 24 2.889 -14.276 1.244 1.00 1.65 C ATOM 45 O SER A 24 3.075 -13.996 2.431 1.00 1.75 O ATOM 46 CB SER A 24 0.700 -13.571 0.277 1.00 2.01 C ATOM 47 OG SER A 24 0.328 -12.713 1.346 1.00 2.44 O ATOM 0 H SER A 24 0.010 -14.895 2.215 1.00 2.37 H new ATOM 0 HA SER A 24 1.661 -15.450 -0.044 1.00 1.94 H new ATOM 0 HB2 SER A 24 1.275 -13.010 -0.460 1.00 2.01 H new ATOM 0 HB3 SER A 24 -0.194 -13.936 -0.228 1.00 2.01 H new ATOM 0 HG SER A 24 -0.198 -11.964 0.996 1.00 2.44 H new ATOM 53 N GLU A 25 3.845 -14.199 0.320 1.00 1.39 N ATOM 54 CA GLU A 25 5.202 -13.801 0.661 1.00 1.23 C ATOM 55 C GLU A 25 5.252 -12.453 1.357 1.00 1.05 C ATOM 56 O GLU A 25 4.773 -11.444 0.839 1.00 1.12 O ATOM 57 CB GLU A 25 6.096 -13.754 -0.568 1.00 1.48 C ATOM 58 CG GLU A 25 6.923 -15.006 -0.722 1.00 1.13 C ATOM 59 CD GLU A 25 7.612 -15.090 -2.069 1.00 1.28 C ATOM 60 OE1 GLU A 25 8.515 -14.272 -2.326 1.00 1.43 O ATOM 61 OE2 GLU A 25 7.254 -15.971 -2.877 1.00 1.64 O ATOM 0 H GLU A 25 3.702 -14.407 -0.668 1.00 1.39 H new ATOM 0 HA GLU A 25 5.570 -14.562 1.350 1.00 1.23 H new ATOM 0 HB2 GLU A 25 5.481 -13.616 -1.457 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.757 -12.890 -0.501 1.00 1.48 H new ATOM 0 HG2 GLU A 25 7.673 -15.040 0.068 1.00 1.13 H new ATOM 0 HG3 GLU A 25 6.282 -15.878 -0.591 1.00 1.13 H new ATOM 68 N VAL A 26 5.837 -12.462 2.534 1.00 0.93 N ATOM 69 CA VAL A 26 6.093 -11.246 3.272 1.00 0.84 C ATOM 70 C VAL A 26 7.597 -11.062 3.429 1.00 0.83 C ATOM 71 O VAL A 26 8.082 -9.976 3.737 1.00 0.85 O ATOM 72 CB VAL A 26 5.385 -11.260 4.649 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.115 -12.149 5.646 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.232 -9.847 5.186 1.00 0.83 C ATOM 0 H VAL A 26 6.148 -13.311 3.006 1.00 0.93 H new ATOM 0 HA VAL A 26 5.685 -10.403 2.715 1.00 0.84 H new ATOM 0 HB VAL A 26 4.390 -11.682 4.507 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.589 -12.134 6.600 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.148 -13.170 5.266 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.131 -11.781 5.786 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.732 -9.878 6.154 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.216 -9.392 5.300 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.638 -9.256 4.490 1.00 0.83 H new ATOM 84 N SER A 27 8.329 -12.148 3.202 1.00 0.91 N ATOM 85 CA SER A 27 9.778 -12.144 3.212 1.00 1.00 C ATOM 86 C SER A 27 10.283 -13.368 2.464 1.00 1.07 C ATOM 87 O SER A 27 9.695 -14.448 2.557 1.00 1.19 O ATOM 88 CB SER A 27 10.320 -12.169 4.639 1.00 1.15 C ATOM 89 OG SER A 27 9.300 -11.926 5.592 1.00 1.61 O ATOM 0 H SER A 27 7.923 -13.063 3.004 1.00 0.91 H new ATOM 0 HA SER A 27 10.125 -11.231 2.729 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.779 -13.138 4.837 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.103 -11.418 4.744 1.00 1.15 H new ATOM 0 HG SER A 27 9.682 -11.951 6.494 1.00 1.61 H new ATOM 95 N ASN A 28 11.358 -13.208 1.722 1.00 1.07 N ATOM 96 CA ASN A 28 11.918 -14.312 0.961 1.00 1.18 C ATOM 97 C ASN A 28 13.431 -14.361 1.124 1.00 1.23 C ATOM 98 O ASN A 28 14.113 -13.358 0.937 1.00 1.12 O ATOM 99 CB ASN A 28 11.547 -14.181 -0.520 1.00 1.19 C ATOM 100 CG ASN A 28 11.716 -15.481 -1.293 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.711 -16.185 -1.151 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.746 -15.796 -2.132 1.00 1.48 N ATOM 0 H ASN A 28 11.863 -12.327 1.627 1.00 1.07 H new ATOM 0 HA ASN A 28 11.499 -15.242 1.345 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.512 -13.848 -0.602 1.00 1.19 H new ATOM 0 HB3 ASN A 28 12.167 -13.410 -0.977 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.810 -16.649 -2.688 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.933 -15.187 -2.224 1.00 1.48 H new ATOM 109 N PRO A 29 13.966 -15.526 1.512 1.00 1.46 N ATOM 110 CA PRO A 29 15.415 -15.739 1.624 1.00 1.60 C ATOM 111 C PRO A 29 16.094 -15.844 0.259 1.00 1.54 C ATOM 112 O PRO A 29 17.138 -15.233 0.020 1.00 1.54 O ATOM 113 CB PRO A 29 15.499 -17.082 2.351 1.00 1.87 C ATOM 114 CG PRO A 29 14.258 -17.790 1.947 1.00 1.86 C ATOM 115 CD PRO A 29 13.203 -16.729 1.901 1.00 1.65 C ATOM 0 HA PRO A 29 15.916 -14.915 2.132 1.00 1.60 H new ATOM 0 HB2 PRO A 29 16.389 -17.639 2.058 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.548 -16.948 3.432 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.376 -18.271 0.976 1.00 1.86 H new ATOM 0 HG3 PRO A 29 14.000 -18.572 2.661 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.423 -16.965 1.177 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.714 -16.603 2.867 1.00 1.65 H new ATOM 123 N SER A 30 15.479 -16.609 -0.633 1.00 1.57 N ATOM 124 CA SER A 30 16.032 -16.886 -1.940 1.00 1.63 C ATOM 125 C SER A 30 15.909 -15.670 -2.845 1.00 1.47 C ATOM 126 O SER A 30 16.805 -15.376 -3.638 1.00 1.58 O ATOM 127 CB SER A 30 15.284 -18.073 -2.535 1.00 1.81 C ATOM 128 OG SER A 30 15.033 -19.057 -1.544 1.00 2.18 O ATOM 0 H SER A 30 14.577 -17.055 -0.463 1.00 1.57 H new ATOM 0 HA SER A 30 17.092 -17.122 -1.849 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.341 -17.736 -2.966 1.00 1.81 H new ATOM 0 HB3 SER A 30 15.868 -18.508 -3.346 1.00 1.81 H new ATOM 0 HG SER A 30 14.551 -19.810 -1.945 1.00 2.18 H new ATOM 134 N LYS A 31 14.792 -14.974 -2.721 1.00 1.28 N ATOM 135 CA LYS A 31 14.564 -13.753 -3.479 1.00 1.14 C ATOM 136 C LYS A 31 15.177 -12.578 -2.726 1.00 1.01 C ATOM 137 O LYS A 31 14.952 -12.425 -1.527 1.00 1.03 O ATOM 138 CB LYS A 31 13.061 -13.540 -3.711 1.00 1.14 C ATOM 139 CG LYS A 31 12.684 -12.137 -4.172 1.00 1.18 C ATOM 140 CD LYS A 31 11.939 -11.360 -3.092 1.00 1.26 C ATOM 141 CE LYS A 31 11.146 -10.209 -3.686 1.00 1.93 C ATOM 142 NZ LYS A 31 11.866 -8.913 -3.556 1.00 2.75 N ATOM 0 H LYS A 31 14.025 -15.234 -2.100 1.00 1.28 H new ATOM 0 HA LYS A 31 15.039 -13.833 -4.457 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.716 -14.258 -4.455 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.529 -13.760 -2.785 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.586 -11.593 -4.452 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.062 -12.204 -5.064 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.266 -12.031 -2.558 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.651 -10.975 -2.362 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.948 -10.410 -4.739 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.179 -10.139 -3.187 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.555 -8.266 -4.309 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.657 -8.491 -2.629 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.890 -9.075 -3.640 1.00 2.75 H new ATOM 156 N PRO A 32 15.974 -11.750 -3.415 1.00 0.99 N ATOM 157 CA PRO A 32 16.693 -10.636 -2.789 1.00 0.97 C ATOM 158 C PRO A 32 15.766 -9.657 -2.076 1.00 0.85 C ATOM 159 O PRO A 32 14.697 -9.296 -2.579 1.00 0.89 O ATOM 160 CB PRO A 32 17.405 -9.953 -3.960 1.00 1.14 C ATOM 161 CG PRO A 32 16.700 -10.434 -5.182 1.00 1.38 C ATOM 162 CD PRO A 32 16.241 -11.825 -4.859 1.00 1.13 C ATOM 0 HA PRO A 32 17.372 -10.988 -2.012 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.350 -8.868 -3.875 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.462 -10.217 -3.986 1.00 1.14 H new ATOM 0 HG2 PRO A 32 15.856 -9.789 -5.427 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.365 -10.431 -6.046 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.349 -12.098 -5.422 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.004 -12.568 -5.092 1.00 1.13 H new ATOM 170 N GLY A 33 16.202 -9.237 -0.901 1.00 0.83 N ATOM 171 CA GLY A 33 15.437 -8.323 -0.082 1.00 0.79 C ATOM 172 C GLY A 33 16.356 -7.477 0.766 1.00 0.76 C ATOM 173 O GLY A 33 16.638 -7.810 1.919 1.00 0.97 O ATOM 0 H GLY A 33 17.093 -9.520 -0.492 1.00 0.83 H new ATOM 0 HA2 GLY A 33 14.825 -7.682 -0.717 1.00 0.79 H new ATOM 0 HA3 GLY A 33 14.755 -8.883 0.558 1.00 0.79 H new ATOM 177 N ARG A 34 16.842 -6.395 0.186 1.00 0.81 N ATOM 178 CA ARG A 34 17.862 -5.581 0.820 1.00 0.79 C ATOM 179 C ARG A 34 17.262 -4.341 1.457 1.00 0.79 C ATOM 180 O ARG A 34 16.048 -4.143 1.442 1.00 0.97 O ATOM 181 CB ARG A 34 18.914 -5.170 -0.208 1.00 0.82 C ATOM 182 CG ARG A 34 19.263 -6.274 -1.188 1.00 1.24 C ATOM 183 CD ARG A 34 20.718 -6.678 -1.066 1.00 1.04 C ATOM 184 NE ARG A 34 21.593 -5.810 -1.845 1.00 0.98 N ATOM 185 CZ ARG A 34 22.740 -6.208 -2.390 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.165 -7.458 -2.220 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.469 -5.350 -3.090 1.00 1.56 N ATOM 0 H ARG A 34 16.544 -6.058 -0.729 1.00 0.81 H new ATOM 0 HA ARG A 34 18.327 -6.178 1.605 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.551 -4.304 -0.762 1.00 0.82 H new ATOM 0 HB3 ARG A 34 19.819 -4.858 0.314 1.00 0.82 H new ATOM 0 HG2 ARG A 34 18.626 -7.140 -1.006 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.061 -5.938 -2.205 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.016 -6.647 -0.018 1.00 1.04 H new ATOM 0 HD3 ARG A 34 20.838 -7.708 -1.401 1.00 1.04 H new ATOM 0 HE ARG A 34 21.309 -4.840 -1.980 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.611 -8.115 -1.670 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.045 -7.759 -2.639 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.150 -4.388 -3.209 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.349 -5.651 -3.509 1.00 1.56 H new ATOM 201 N LYS A 35 18.121 -3.515 2.021 1.00 0.80 N ATOM 202 CA LYS A 35 17.696 -2.274 2.628 1.00 0.82 C ATOM 203 C LYS A 35 18.438 -1.108 2.004 1.00 0.77 C ATOM 204 O LYS A 35 19.598 -0.853 2.327 1.00 0.93 O ATOM 205 CB LYS A 35 17.953 -2.301 4.131 1.00 0.87 C ATOM 206 CG LYS A 35 16.839 -1.674 4.955 1.00 1.42 C ATOM 207 CD LYS A 35 17.335 -1.245 6.325 1.00 1.71 C ATOM 208 CE LYS A 35 17.871 -2.427 7.120 1.00 1.85 C ATOM 209 NZ LYS A 35 18.453 -2.005 8.420 1.00 2.64 N ATOM 0 H LYS A 35 19.125 -3.685 2.070 1.00 0.80 H new ATOM 0 HA LYS A 35 16.627 -2.153 2.455 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.089 -3.335 4.448 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.886 -1.778 4.340 1.00 0.87 H new ATOM 0 HG2 LYS A 35 16.435 -0.811 4.426 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.023 -2.388 5.069 1.00 1.42 H new ATOM 0 HD2 LYS A 35 18.119 -0.496 6.211 1.00 1.71 H new ATOM 0 HD3 LYS A 35 16.522 -0.773 6.876 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.066 -3.140 7.298 1.00 1.85 H new ATOM 0 HE3 LYS A 35 18.630 -2.944 6.533 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 18.806 -2.840 8.930 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 19.238 -1.345 8.251 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 17.722 -1.534 8.991 1.00 2.64 H new ATOM 223 N THR A 36 17.788 -0.424 1.087 1.00 0.59 N ATOM 224 CA THR A 36 18.368 0.761 0.494 1.00 0.54 C ATOM 225 C THR A 36 17.767 2.008 1.126 1.00 0.46 C ATOM 226 O THR A 36 16.832 1.919 1.931 1.00 0.46 O ATOM 227 CB THR A 36 18.148 0.804 -1.024 1.00 0.56 C ATOM 228 OG1 THR A 36 16.784 1.137 -1.315 1.00 0.54 O ATOM 229 CG2 THR A 36 18.496 -0.532 -1.667 1.00 0.68 C ATOM 0 H THR A 36 16.861 -0.667 0.737 1.00 0.59 H new ATOM 0 HA THR A 36 19.441 0.729 0.681 1.00 0.54 H new ATOM 0 HB THR A 36 18.806 1.568 -1.438 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.683 1.290 -2.278 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.331 -0.472 -2.743 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.543 -0.767 -1.473 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.864 -1.314 -1.246 1.00 0.68 H new ATOM 237 N ASN A 37 18.300 3.164 0.762 1.00 0.42 N ATOM 238 CA ASN A 37 17.798 4.426 1.274 1.00 0.40 C ATOM 239 C ASN A 37 16.372 4.676 0.784 1.00 0.33 C ATOM 240 O ASN A 37 15.541 5.164 1.538 1.00 0.33 O ATOM 241 CB ASN A 37 18.734 5.577 0.872 1.00 0.48 C ATOM 242 CG ASN A 37 18.065 6.643 0.025 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.521 7.613 0.543 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.093 6.461 -1.288 1.00 0.78 N ATOM 0 H ASN A 37 19.082 3.253 0.113 1.00 0.42 H new ATOM 0 HA ASN A 37 17.773 4.376 2.363 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.133 6.040 1.774 1.00 0.48 H new ATOM 0 HB3 ASN A 37 19.582 5.168 0.322 1.00 0.48 H new ATOM 0 HD21 ASN A 37 17.652 7.141 -1.907 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.556 5.641 -1.679 1.00 0.78 H new ATOM 251 N GLN A 38 16.090 4.314 -0.469 1.00 0.33 N ATOM 252 CA GLN A 38 14.762 4.506 -1.043 1.00 0.31 C ATOM 253 C GLN A 38 13.722 3.688 -0.289 1.00 0.26 C ATOM 254 O GLN A 38 12.630 4.178 0.004 1.00 0.25 O ATOM 255 CB GLN A 38 14.751 4.117 -2.522 1.00 0.36 C ATOM 256 CG GLN A 38 14.124 5.167 -3.425 1.00 0.46 C ATOM 257 CD GLN A 38 14.176 4.784 -4.893 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.441 3.906 -5.348 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.041 5.445 -5.646 1.00 0.55 N ATOM 0 H GLN A 38 16.765 3.887 -1.103 1.00 0.33 H new ATOM 0 HA GLN A 38 14.510 5.563 -0.953 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.775 3.934 -2.848 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.208 3.179 -2.638 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.086 5.321 -3.130 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.639 6.117 -3.283 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.632 6.165 -5.231 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.116 5.234 -6.641 1.00 0.55 H new ATOM 268 N LEU A 39 14.074 2.445 0.034 1.00 0.28 N ATOM 269 CA LEU A 39 13.171 1.558 0.758 1.00 0.31 C ATOM 270 C LEU A 39 12.825 2.142 2.121 1.00 0.29 C ATOM 271 O LEU A 39 11.651 2.307 2.456 1.00 0.30 O ATOM 272 CB LEU A 39 13.798 0.172 0.928 1.00 0.38 C ATOM 273 CG LEU A 39 12.944 -0.829 1.708 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.375 -1.887 0.777 1.00 0.63 C ATOM 275 CD2 LEU A 39 13.763 -1.471 2.814 1.00 0.80 C ATOM 0 H LEU A 39 14.978 2.031 -0.195 1.00 0.28 H new ATOM 0 HA LEU A 39 12.255 1.459 0.176 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.005 -0.241 -0.059 1.00 0.38 H new ATOM 0 HB3 LEU A 39 14.757 0.282 1.435 1.00 0.38 H new ATOM 0 HG LEU A 39 12.110 -0.294 2.162 1.00 0.45 H new ATOM 0 HD11 LEU A 39 11.771 -2.590 1.351 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.754 -1.409 0.019 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.191 -2.422 0.292 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.143 -2.181 3.361 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.615 -1.993 2.379 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.120 -0.700 3.497 1.00 0.80 H new ATOM 287 N GLN A 40 13.855 2.465 2.894 1.00 0.29 N ATOM 288 CA GLN A 40 13.666 3.054 4.214 1.00 0.30 C ATOM 289 C GLN A 40 12.984 4.415 4.107 1.00 0.26 C ATOM 290 O GLN A 40 12.174 4.781 4.963 1.00 0.28 O ATOM 291 CB GLN A 40 15.007 3.195 4.932 1.00 0.36 C ATOM 292 CG GLN A 40 15.313 2.041 5.871 1.00 0.42 C ATOM 293 CD GLN A 40 14.637 2.196 7.218 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.487 3.305 7.725 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.224 1.086 7.808 1.00 0.83 N ATOM 0 H GLN A 40 14.831 2.329 2.629 1.00 0.29 H new ATOM 0 HA GLN A 40 13.024 2.390 4.793 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.802 3.270 4.190 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.011 4.126 5.499 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.990 1.107 5.411 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.391 1.970 6.015 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.367 0.184 7.354 1.00 0.83 H new ATOM 0 HE22 GLN A 40 13.762 1.133 8.716 1.00 0.83 H new ATOM 304 N TYR A 41 13.312 5.154 3.052 1.00 0.25 N ATOM 305 CA TYR A 41 12.709 6.445 2.797 1.00 0.24 C ATOM 306 C TYR A 41 11.202 6.309 2.674 1.00 0.22 C ATOM 307 O TYR A 41 10.468 6.807 3.507 1.00 0.23 O ATOM 308 CB TYR A 41 13.293 7.044 1.516 1.00 0.24 C ATOM 309 CG TYR A 41 12.675 8.355 1.094 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.549 8.382 0.283 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.219 9.563 1.501 1.00 0.42 C ATOM 312 CE1 TYR A 41 10.980 9.573 -0.107 1.00 0.44 C ATOM 313 CE2 TYR A 41 12.656 10.763 1.114 1.00 0.52 C ATOM 314 CZ TYR A 41 11.534 10.763 0.309 1.00 0.53 C ATOM 315 OH TYR A 41 10.962 11.953 -0.078 1.00 0.64 O ATOM 0 H TYR A 41 14.001 4.871 2.356 1.00 0.25 H new ATOM 0 HA TYR A 41 12.928 7.109 3.633 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.364 7.191 1.655 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.173 6.324 0.707 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.111 7.452 -0.048 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.097 9.566 2.130 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.103 9.574 -0.737 1.00 0.44 H new ATOM 0 HE2 TYR A 41 13.091 11.697 1.439 1.00 0.52 H new ATOM 0 HH TYR A 41 10.164 11.772 -0.618 1.00 0.64 H new ATOM 325 N MET A 42 10.745 5.588 1.664 1.00 0.20 N ATOM 326 CA MET A 42 9.327 5.494 1.389 1.00 0.20 C ATOM 327 C MET A 42 8.593 4.896 2.582 1.00 0.21 C ATOM 328 O MET A 42 7.463 5.275 2.872 1.00 0.22 O ATOM 329 CB MET A 42 9.093 4.663 0.120 1.00 0.23 C ATOM 330 CG MET A 42 7.867 3.764 0.167 1.00 0.80 C ATOM 331 SD MET A 42 7.412 3.129 -1.455 1.00 1.07 S ATOM 332 CE MET A 42 6.832 4.624 -2.246 1.00 1.13 C ATOM 0 H MET A 42 11.338 5.061 1.023 1.00 0.20 H new ATOM 0 HA MET A 42 8.929 6.495 1.220 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.998 5.340 -0.729 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.973 4.046 -0.061 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.060 2.928 0.839 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.028 4.321 0.583 1.00 0.80 H new ATOM 0 HE1 MET A 42 5.881 4.428 -2.742 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.696 5.403 -1.496 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.564 4.953 -2.983 1.00 1.13 H new ATOM 342 N GLN A 43 9.268 3.999 3.287 1.00 0.24 N ATOM 343 CA GLN A 43 8.697 3.354 4.463 1.00 0.30 C ATOM 344 C GLN A 43 8.316 4.386 5.525 1.00 0.30 C ATOM 345 O GLN A 43 7.158 4.482 5.931 1.00 0.33 O ATOM 346 CB GLN A 43 9.699 2.353 5.046 1.00 0.42 C ATOM 347 CG GLN A 43 9.141 1.500 6.171 1.00 0.84 C ATOM 348 CD GLN A 43 10.223 0.712 6.883 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.425 0.859 8.087 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.930 -0.122 6.137 1.00 0.54 N ATOM 0 H GLN A 43 10.217 3.700 3.064 1.00 0.24 H new ATOM 0 HA GLN A 43 7.793 2.827 4.158 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.049 1.699 4.248 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.568 2.898 5.415 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.627 2.139 6.889 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.398 0.812 5.768 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.728 -0.212 5.141 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.677 -0.675 6.558 1.00 0.54 H new ATOM 359 N ASN A 44 9.294 5.163 5.960 1.00 0.30 N ATOM 360 CA ASN A 44 9.090 6.118 7.044 1.00 0.33 C ATOM 361 C ASN A 44 8.556 7.447 6.540 1.00 0.31 C ATOM 362 O ASN A 44 7.885 8.176 7.267 1.00 0.34 O ATOM 363 CB ASN A 44 10.395 6.348 7.796 1.00 0.37 C ATOM 364 CG ASN A 44 10.772 5.173 8.676 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.085 4.876 9.656 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.857 4.497 8.327 1.00 0.47 N ATOM 0 H ASN A 44 10.241 5.153 5.580 1.00 0.30 H new ATOM 0 HA ASN A 44 8.346 5.689 7.715 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.196 6.533 7.080 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.304 7.244 8.411 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.156 3.692 8.878 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.393 4.781 7.507 1.00 0.47 H new ATOM 373 N VAL A 45 8.881 7.771 5.308 1.00 0.27 N ATOM 374 CA VAL A 45 8.494 9.043 4.726 1.00 0.27 C ATOM 375 C VAL A 45 7.125 8.963 4.059 1.00 0.24 C ATOM 376 O VAL A 45 6.212 9.703 4.409 1.00 0.28 O ATOM 377 CB VAL A 45 9.533 9.499 3.683 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.096 10.774 2.996 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.898 9.671 4.327 1.00 0.30 C ATOM 0 H VAL A 45 9.416 7.168 4.683 1.00 0.27 H new ATOM 0 HA VAL A 45 8.445 9.766 5.540 1.00 0.27 H new ATOM 0 HB VAL A 45 9.609 8.722 2.922 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.849 11.071 2.266 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.146 10.607 2.489 1.00 0.29 H new ATOM 0 HG13 VAL A 45 8.978 11.565 3.737 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.617 9.993 3.574 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.837 10.422 5.115 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.221 8.722 4.755 1.00 0.30 H new ATOM 389 N VAL A 46 6.982 8.044 3.118 1.00 0.19 N ATOM 390 CA VAL A 46 5.796 8.003 2.276 1.00 0.19 C ATOM 391 C VAL A 46 4.619 7.337 2.983 1.00 0.19 C ATOM 392 O VAL A 46 3.621 7.998 3.281 1.00 0.19 O ATOM 393 CB VAL A 46 6.076 7.287 0.936 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.811 7.185 0.098 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.163 8.016 0.162 1.00 0.22 C ATOM 0 H VAL A 46 7.670 7.318 2.918 1.00 0.19 H new ATOM 0 HA VAL A 46 5.529 9.039 2.068 1.00 0.19 H new ATOM 0 HB VAL A 46 6.420 6.277 1.158 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.036 6.677 -0.840 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.057 6.620 0.645 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.433 8.185 -0.113 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.348 7.499 -0.779 1.00 0.22 H new ATOM 0 HG22 VAL A 46 6.842 9.037 -0.042 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.079 8.035 0.752 1.00 0.22 H new ATOM 405 N VAL A 47 4.735 6.040 3.271 1.00 0.20 N ATOM 406 CA VAL A 47 3.606 5.298 3.838 1.00 0.23 C ATOM 407 C VAL A 47 3.216 5.836 5.216 1.00 0.23 C ATOM 408 O VAL A 47 2.036 5.875 5.551 1.00 0.25 O ATOM 409 CB VAL A 47 3.850 3.755 3.891 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.256 3.396 3.460 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.557 3.169 5.270 1.00 0.83 C ATOM 0 H VAL A 47 5.581 5.489 3.125 1.00 0.20 H new ATOM 0 HA VAL A 47 2.770 5.459 3.157 1.00 0.23 H new ATOM 0 HB VAL A 47 3.148 3.312 3.184 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.387 2.315 3.510 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.421 3.734 2.437 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.974 3.880 4.122 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.741 2.095 5.256 1.00 0.83 H new ATOM 0 HG22 VAL A 47 4.205 3.639 6.010 1.00 0.83 H new ATOM 0 HG23 VAL A 47 2.515 3.355 5.530 1.00 0.83 H new ATOM 421 N LYS A 48 4.193 6.289 5.996 1.00 0.26 N ATOM 422 CA LYS A 48 3.907 6.821 7.323 1.00 0.30 C ATOM 423 C LYS A 48 3.085 8.109 7.244 1.00 0.28 C ATOM 424 O LYS A 48 2.271 8.386 8.124 1.00 0.33 O ATOM 425 CB LYS A 48 5.201 7.072 8.091 1.00 0.36 C ATOM 426 CG LYS A 48 5.366 6.176 9.308 1.00 0.53 C ATOM 427 CD LYS A 48 5.909 6.944 10.503 1.00 1.25 C ATOM 428 CE LYS A 48 7.416 6.788 10.626 1.00 1.79 C ATOM 429 NZ LYS A 48 7.796 5.502 11.270 1.00 2.40 N ATOM 0 H LYS A 48 5.179 6.299 5.736 1.00 0.26 H new ATOM 0 HA LYS A 48 3.317 6.075 7.856 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.047 6.921 7.421 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.229 8.114 8.410 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.404 5.733 9.567 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.041 5.355 9.066 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.658 8.000 10.403 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.429 6.588 11.415 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.868 6.844 9.636 1.00 1.79 H new ATOM 0 HE3 LYS A 48 7.819 7.617 11.208 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.638 5.113 10.799 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 8.006 5.666 12.275 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.010 4.826 11.186 1.00 2.40 H new ATOM 443 N THR A 49 3.290 8.891 6.190 1.00 0.23 N ATOM 444 CA THR A 49 2.521 10.116 6.001 1.00 0.24 C ATOM 445 C THR A 49 1.112 9.788 5.522 1.00 0.22 C ATOM 446 O THR A 49 0.140 10.431 5.928 1.00 0.24 O ATOM 447 CB THR A 49 3.205 11.075 5.007 1.00 0.28 C ATOM 448 OG1 THR A 49 4.540 11.340 5.444 1.00 0.55 O ATOM 449 CG2 THR A 49 2.441 12.388 4.894 1.00 0.52 C ATOM 0 H THR A 49 3.976 8.701 5.459 1.00 0.23 H new ATOM 0 HA THR A 49 2.467 10.620 6.966 1.00 0.24 H new ATOM 0 HB THR A 49 3.218 10.599 4.026 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.077 10.524 5.367 1.00 0.55 H new ATOM 0 HG21 THR A 49 2.947 13.044 4.186 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.428 12.190 4.545 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.401 12.871 5.870 1.00 0.52 H new ATOM 457 N LEU A 50 1.008 8.776 4.671 1.00 0.20 N ATOM 458 CA LEU A 50 -0.287 8.276 4.235 1.00 0.21 C ATOM 459 C LEU A 50 -1.038 7.713 5.439 1.00 0.20 C ATOM 460 O LEU A 50 -2.238 7.925 5.601 1.00 0.21 O ATOM 461 CB LEU A 50 -0.109 7.192 3.161 1.00 0.24 C ATOM 462 CG LEU A 50 -0.985 7.332 1.903 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.526 5.978 1.474 1.00 0.33 C ATOM 464 CD2 LEU A 50 -2.131 8.300 2.140 1.00 0.29 C ATOM 0 H LEU A 50 1.807 8.285 4.269 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.862 9.093 3.800 1.00 0.21 H new ATOM 0 HB2 LEU A 50 0.936 7.184 2.852 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.314 6.223 3.615 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.359 7.730 1.104 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -2.143 6.098 0.583 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.695 5.308 1.253 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -2.129 5.556 2.278 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.733 8.379 1.235 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.752 7.935 2.958 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.731 9.281 2.397 1.00 0.29 H new ATOM 476 N TRP A 51 -0.297 7.014 6.288 1.00 0.22 N ATOM 477 CA TRP A 51 -0.831 6.429 7.510 1.00 0.24 C ATOM 478 C TRP A 51 -1.426 7.495 8.427 1.00 0.26 C ATOM 479 O TRP A 51 -2.448 7.276 9.070 1.00 0.29 O ATOM 480 CB TRP A 51 0.289 5.684 8.240 1.00 0.27 C ATOM 481 CG TRP A 51 -0.197 4.626 9.177 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.611 4.804 10.464 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.312 3.227 8.903 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.981 3.601 11.011 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.808 2.614 10.069 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.047 2.432 7.781 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.041 1.243 10.144 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.279 1.072 7.858 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.774 0.490 9.032 1.00 0.39 C ATOM 0 H TRP A 51 0.697 6.836 6.147 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.630 5.738 7.241 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.949 5.227 7.502 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.886 6.404 8.799 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.643 5.753 10.978 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.327 3.462 11.960 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.332 2.874 6.871 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.419 0.789 11.048 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.076 0.448 7.000 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -0.949 -0.575 9.061 1.00 0.39 H new ATOM 500 N LYS A 52 -0.793 8.655 8.481 1.00 0.27 N ATOM 501 CA LYS A 52 -1.218 9.698 9.401 1.00 0.29 C ATOM 502 C LYS A 52 -2.274 10.614 8.786 1.00 0.30 C ATOM 503 O LYS A 52 -2.624 11.645 9.366 1.00 0.45 O ATOM 504 CB LYS A 52 -0.020 10.507 9.873 1.00 0.33 C ATOM 505 CG LYS A 52 0.707 9.868 11.044 1.00 0.48 C ATOM 506 CD LYS A 52 1.865 10.728 11.523 1.00 1.13 C ATOM 507 CE LYS A 52 1.926 10.782 13.043 1.00 1.74 C ATOM 508 NZ LYS A 52 0.688 11.357 13.632 1.00 2.24 N ATOM 0 H LYS A 52 0.012 8.898 7.903 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.678 9.207 10.259 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.677 10.630 9.044 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.353 11.504 10.160 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.007 9.710 11.865 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.080 8.887 10.750 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.802 10.329 11.134 1.00 1.13 H new ATOM 0 HD3 LYS A 52 1.759 11.737 11.126 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.081 9.777 13.435 1.00 1.74 H new ATOM 0 HE3 LYS A 52 2.784 11.379 13.350 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 0.924 11.868 14.507 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 0.254 12.015 12.953 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 0.019 10.591 13.849 1.00 2.24 H new ATOM 522 N HIS A 53 -2.788 10.244 7.623 1.00 0.25 N ATOM 523 CA HIS A 53 -3.886 10.985 7.021 1.00 0.26 C ATOM 524 C HIS A 53 -5.195 10.581 7.687 1.00 0.31 C ATOM 525 O HIS A 53 -5.373 9.423 8.066 1.00 0.35 O ATOM 526 CB HIS A 53 -3.961 10.732 5.518 1.00 0.24 C ATOM 527 CG HIS A 53 -4.668 11.818 4.768 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.994 11.709 4.428 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.186 12.992 4.299 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.286 12.813 3.759 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.223 13.619 3.657 1.00 0.39 N ATOM 0 H HIS A 53 -2.466 9.442 7.081 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.712 12.050 7.173 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.950 10.627 5.124 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.472 9.786 5.341 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.178 13.364 4.409 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.259 13.035 3.347 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.190 14.526 3.191 1.00 0.39 H new ATOM 539 N GLN A 54 -6.106 11.529 7.832 1.00 0.42 N ATOM 540 CA GLN A 54 -7.348 11.278 8.554 1.00 0.54 C ATOM 541 C GLN A 54 -8.363 10.543 7.684 1.00 0.42 C ATOM 542 O GLN A 54 -9.366 10.036 8.184 1.00 0.47 O ATOM 543 CB GLN A 54 -7.944 12.587 9.072 1.00 0.79 C ATOM 544 CG GLN A 54 -7.440 12.970 10.456 1.00 1.09 C ATOM 545 CD GLN A 54 -8.033 12.107 11.556 1.00 1.24 C ATOM 546 OE1 GLN A 54 -9.134 12.367 12.044 1.00 1.91 O ATOM 547 NE2 GLN A 54 -7.311 11.073 11.951 1.00 1.21 N ATOM 0 H GLN A 54 -6.013 12.475 7.463 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.110 10.639 9.404 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.708 13.388 8.372 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -9.030 12.498 9.100 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.354 12.885 10.479 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.682 14.015 10.650 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -6.404 10.891 11.522 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -7.661 10.457 12.685 1.00 1.21 H new ATOM 556 N PHE A 55 -8.100 10.479 6.387 1.00 0.36 N ATOM 557 CA PHE A 55 -9.005 9.802 5.466 1.00 0.31 C ATOM 558 C PHE A 55 -8.499 8.398 5.149 1.00 0.27 C ATOM 559 O PHE A 55 -9.197 7.599 4.532 1.00 0.29 O ATOM 560 CB PHE A 55 -9.164 10.616 4.181 1.00 0.36 C ATOM 561 CG PHE A 55 -10.269 11.638 4.227 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.856 12.007 5.430 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.719 12.234 3.061 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.867 12.948 5.464 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.729 13.175 3.090 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.304 13.533 4.292 1.00 0.86 C ATOM 0 H PHE A 55 -7.273 10.885 5.949 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.980 9.714 5.945 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.224 11.124 3.968 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.351 9.933 3.353 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.518 11.553 6.350 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.274 11.959 2.116 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.315 13.226 6.407 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.069 13.631 2.172 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.094 14.269 4.316 1.00 0.86 H new ATOM 576 N ALA A 56 -7.288 8.092 5.598 1.00 0.25 N ATOM 577 CA ALA A 56 -6.683 6.789 5.346 1.00 0.25 C ATOM 578 C ALA A 56 -6.920 5.847 6.518 1.00 0.26 C ATOM 579 O ALA A 56 -6.278 4.802 6.634 1.00 0.28 O ATOM 580 CB ALA A 56 -5.195 6.942 5.090 1.00 0.28 C ATOM 0 H ALA A 56 -6.704 8.729 6.140 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.152 6.360 4.461 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.755 5.962 4.903 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -5.039 7.581 4.221 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.720 7.393 5.962 1.00 0.28 H new ATOM 586 N TRP A 57 -7.872 6.213 7.365 1.00 0.30 N ATOM 587 CA TRP A 57 -8.138 5.476 8.599 1.00 0.34 C ATOM 588 C TRP A 57 -8.593 4.013 8.381 1.00 0.35 C ATOM 589 O TRP A 57 -8.255 3.156 9.198 1.00 0.40 O ATOM 590 CB TRP A 57 -9.142 6.233 9.488 1.00 0.37 C ATOM 591 CG TRP A 57 -10.531 6.340 8.927 1.00 0.38 C ATOM 592 CD1 TRP A 57 -11.004 7.310 8.092 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.629 5.450 9.173 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.324 7.077 7.799 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.732 5.942 8.449 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.786 4.285 9.932 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.972 5.309 8.461 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.018 3.658 9.942 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.096 4.172 9.211 1.00 0.58 C ATOM 0 H TRP A 57 -8.478 7.021 7.221 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.178 5.413 9.111 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.195 5.735 10.456 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.760 7.238 9.667 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.424 8.140 7.717 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.908 7.656 7.195 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -10.960 3.883 10.500 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.806 5.702 7.898 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.151 2.757 10.523 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.046 3.659 9.240 1.00 0.58 H new ATOM 610 N PRO A 58 -9.358 3.665 7.312 1.00 0.34 N ATOM 611 CA PRO A 58 -9.807 2.294 7.117 1.00 0.40 C ATOM 612 C PRO A 58 -8.834 1.464 6.283 1.00 0.36 C ATOM 613 O PRO A 58 -9.141 0.341 5.889 1.00 0.45 O ATOM 614 CB PRO A 58 -11.131 2.476 6.380 1.00 0.47 C ATOM 615 CG PRO A 58 -11.024 3.775 5.647 1.00 0.40 C ATOM 616 CD PRO A 58 -9.863 4.539 6.235 1.00 0.32 C ATOM 0 HA PRO A 58 -9.889 1.750 8.058 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.308 1.652 5.689 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -11.967 2.491 7.079 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -10.868 3.602 4.582 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -11.947 4.347 5.745 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.094 4.732 5.487 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.180 5.507 6.624 1.00 0.32 H new ATOM 624 N PHE A 59 -7.656 2.019 6.034 1.00 0.31 N ATOM 625 CA PHE A 59 -6.656 1.362 5.200 1.00 0.31 C ATOM 626 C PHE A 59 -5.512 0.817 6.050 1.00 0.31 C ATOM 627 O PHE A 59 -4.515 0.334 5.526 1.00 0.52 O ATOM 628 CB PHE A 59 -6.111 2.350 4.164 1.00 0.36 C ATOM 629 CG PHE A 59 -6.565 2.079 2.758 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.450 0.810 2.215 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.110 3.088 1.982 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.870 0.551 0.925 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.532 2.836 0.689 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.399 1.588 0.153 1.00 0.95 C ATOM 0 H PHE A 59 -7.367 2.927 6.399 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.132 0.526 4.687 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.415 3.358 4.444 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.022 2.326 4.193 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.026 0.013 2.808 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.207 4.083 2.391 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -6.790 -0.446 0.516 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.968 3.630 0.101 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.702 1.402 -0.867 1.00 0.95 H new ATOM 644 N TYR A 60 -5.672 0.891 7.364 1.00 0.35 N ATOM 645 CA TYR A 60 -4.609 0.502 8.288 1.00 0.39 C ATOM 646 C TYR A 60 -4.469 -1.012 8.391 1.00 0.45 C ATOM 647 O TYR A 60 -3.404 -1.524 8.744 1.00 0.63 O ATOM 648 CB TYR A 60 -4.893 1.056 9.683 1.00 0.46 C ATOM 649 CG TYR A 60 -4.847 2.563 9.795 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.236 3.347 8.824 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.416 3.199 10.891 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.199 4.722 8.944 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.382 4.572 11.017 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.773 5.327 10.043 1.00 0.45 C ATOM 655 OH TYR A 60 -4.736 6.694 10.169 1.00 0.58 O ATOM 0 H TYR A 60 -6.526 1.216 7.817 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.680 0.914 7.894 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -5.878 0.713 10.000 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -4.169 0.633 10.380 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.784 2.875 7.964 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.894 2.608 11.658 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.723 5.321 8.181 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.831 5.051 11.875 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.929 7.041 9.734 1.00 0.58 H new ATOM 665 N GLN A 61 -5.544 -1.724 8.103 1.00 0.46 N ATOM 666 CA GLN A 61 -5.579 -3.159 8.336 1.00 0.55 C ATOM 667 C GLN A 61 -5.336 -3.932 7.054 1.00 0.56 C ATOM 668 O GLN A 61 -6.005 -3.695 6.048 1.00 0.57 O ATOM 669 CB GLN A 61 -6.923 -3.573 8.945 1.00 0.65 C ATOM 670 CG GLN A 61 -7.530 -2.528 9.868 1.00 0.71 C ATOM 671 CD GLN A 61 -8.998 -2.285 9.586 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.833 -2.342 10.488 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.326 -2.010 8.333 1.00 1.63 N ATOM 0 H GLN A 61 -6.401 -1.336 7.709 1.00 0.46 H new ATOM 0 HA GLN A 61 -4.780 -3.398 9.038 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -7.626 -3.784 8.139 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -6.788 -4.501 9.501 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -7.411 -2.849 10.903 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -6.983 -1.591 9.760 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.604 -1.972 7.613 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.301 -1.836 8.087 1.00 1.63 H new ATOM 682 N PRO A 62 -4.377 -4.873 7.086 1.00 0.63 N ATOM 683 CA PRO A 62 -4.065 -5.722 5.936 1.00 0.68 C ATOM 684 C PRO A 62 -5.249 -6.601 5.554 1.00 0.69 C ATOM 685 O PRO A 62 -5.882 -7.216 6.420 1.00 0.77 O ATOM 686 CB PRO A 62 -2.889 -6.578 6.420 1.00 0.78 C ATOM 687 CG PRO A 62 -2.949 -6.525 7.906 1.00 0.87 C ATOM 688 CD PRO A 62 -3.528 -5.184 8.248 1.00 0.73 C ATOM 0 HA PRO A 62 -3.831 -5.140 5.044 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -2.974 -7.603 6.059 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -1.941 -6.188 6.051 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -3.569 -7.330 8.301 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -1.957 -6.644 8.341 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.107 -5.220 9.171 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -2.750 -4.434 8.389 1.00 0.73 H new ATOM 696 N VAL A 63 -5.552 -6.640 4.263 1.00 0.66 N ATOM 697 CA VAL A 63 -6.683 -7.404 3.767 1.00 0.69 C ATOM 698 C VAL A 63 -6.553 -8.884 4.103 1.00 0.77 C ATOM 699 O VAL A 63 -5.673 -9.596 3.609 1.00 0.88 O ATOM 700 CB VAL A 63 -6.898 -7.217 2.246 1.00 0.73 C ATOM 701 CG1 VAL A 63 -7.601 -8.424 1.634 1.00 0.82 C ATOM 702 CG2 VAL A 63 -7.712 -5.959 1.990 1.00 0.75 C ATOM 0 H VAL A 63 -5.026 -6.149 3.540 1.00 0.66 H new ATOM 0 HA VAL A 63 -7.562 -7.010 4.277 1.00 0.69 H new ATOM 0 HB VAL A 63 -5.920 -7.120 1.775 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -7.738 -8.262 0.565 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -6.995 -9.316 1.791 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -8.574 -8.557 2.108 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -7.860 -5.833 0.917 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -8.681 -6.046 2.482 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.180 -5.094 2.387 1.00 0.75 H new ATOM 712 N ASP A 64 -7.419 -9.304 5.002 1.00 0.79 N ATOM 713 CA ASP A 64 -7.650 -10.703 5.275 1.00 0.93 C ATOM 714 C ASP A 64 -9.120 -10.969 5.011 1.00 1.00 C ATOM 715 O ASP A 64 -9.984 -10.271 5.553 1.00 1.51 O ATOM 716 CB ASP A 64 -7.270 -11.040 6.722 1.00 1.02 C ATOM 717 CG ASP A 64 -7.650 -12.454 7.125 1.00 1.29 C ATOM 718 OD1 ASP A 64 -8.846 -12.700 7.374 1.00 1.85 O ATOM 719 OD2 ASP A 64 -6.750 -13.314 7.223 1.00 1.42 O ATOM 0 H ASP A 64 -7.987 -8.675 5.569 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.032 -11.334 4.636 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.195 -10.909 6.849 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.759 -10.334 7.393 1.00 1.02 H new ATOM 724 N ALA A 65 -9.404 -11.951 4.168 1.00 0.94 N ATOM 725 CA ALA A 65 -10.759 -12.172 3.666 1.00 0.94 C ATOM 726 C ALA A 65 -11.745 -12.528 4.775 1.00 1.03 C ATOM 727 O ALA A 65 -12.956 -12.499 4.569 1.00 1.29 O ATOM 728 CB ALA A 65 -10.751 -13.258 2.605 1.00 0.96 C ATOM 0 H ALA A 65 -8.713 -12.612 3.814 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.096 -11.232 3.228 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -11.765 -13.415 2.237 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.108 -12.954 1.779 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.374 -14.185 3.036 1.00 0.96 H new ATOM 734 N ILE A 66 -11.230 -12.837 5.950 1.00 1.03 N ATOM 735 CA ILE A 66 -12.066 -13.240 7.066 1.00 1.14 C ATOM 736 C ILE A 66 -12.150 -12.122 8.102 1.00 1.13 C ATOM 737 O ILE A 66 -13.225 -11.829 8.630 1.00 1.19 O ATOM 738 CB ILE A 66 -11.522 -14.528 7.722 1.00 1.24 C ATOM 739 CG1 ILE A 66 -11.519 -15.675 6.708 1.00 1.35 C ATOM 740 CG2 ILE A 66 -12.345 -14.902 8.945 1.00 1.37 C ATOM 741 CD1 ILE A 66 -10.162 -15.948 6.097 1.00 1.89 C ATOM 0 H ILE A 66 -10.232 -12.817 6.157 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.066 -13.442 6.683 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.498 -14.343 8.047 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.875 -16.581 7.198 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -12.226 -15.445 5.911 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -11.943 -15.812 9.390 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.302 -14.093 9.674 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.381 -15.070 8.649 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -10.241 -16.773 5.389 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -9.811 -15.057 5.577 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -9.455 -16.211 6.884 1.00 1.89 H new ATOM 753 N LYS A 67 -11.014 -11.493 8.374 1.00 1.10 N ATOM 754 CA LYS A 67 -10.944 -10.397 9.334 1.00 1.15 C ATOM 755 C LYS A 67 -11.706 -9.176 8.829 1.00 1.13 C ATOM 756 O LYS A 67 -12.450 -8.544 9.576 1.00 1.27 O ATOM 757 CB LYS A 67 -9.485 -10.024 9.611 1.00 1.21 C ATOM 758 CG LYS A 67 -9.301 -9.115 10.817 1.00 1.50 C ATOM 759 CD LYS A 67 -9.842 -9.752 12.087 1.00 1.90 C ATOM 760 CE LYS A 67 -9.279 -9.085 13.330 1.00 2.46 C ATOM 761 NZ LYS A 67 -9.509 -9.903 14.549 1.00 2.99 N ATOM 0 H LYS A 67 -10.121 -11.725 7.940 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.409 -10.733 10.261 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -8.909 -10.937 9.765 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.072 -9.532 8.730 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -8.242 -8.890 10.945 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.809 -8.167 10.640 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -10.930 -9.681 12.096 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.592 -10.813 12.098 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.210 -8.919 13.200 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -9.740 -8.106 13.457 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -9.110 -9.414 15.376 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -10.531 -10.040 14.687 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -9.047 -10.828 14.438 1.00 2.99 H new ATOM 775 N LEU A 68 -11.521 -8.851 7.558 1.00 1.02 N ATOM 776 CA LEU A 68 -12.181 -7.692 6.966 1.00 1.03 C ATOM 777 C LEU A 68 -13.438 -8.113 6.217 1.00 1.05 C ATOM 778 O LEU A 68 -14.184 -7.268 5.716 1.00 1.10 O ATOM 779 CB LEU A 68 -11.228 -6.966 6.012 1.00 1.02 C ATOM 780 CG LEU A 68 -10.936 -5.501 6.354 1.00 1.07 C ATOM 781 CD1 LEU A 68 -12.218 -4.754 6.688 1.00 1.61 C ATOM 782 CD2 LEU A 68 -9.950 -5.410 7.508 1.00 1.66 C ATOM 0 H LEU A 68 -10.922 -9.370 6.917 1.00 1.02 H new ATOM 0 HA LEU A 68 -12.464 -7.014 7.771 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.284 -7.510 5.987 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -11.647 -7.009 5.007 1.00 1.02 H new ATOM 0 HG LEU A 68 -10.489 -5.031 5.478 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -11.983 -3.717 6.927 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.891 -4.785 5.831 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -12.700 -5.224 7.545 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -9.754 -4.363 7.737 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -10.371 -5.901 8.385 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -9.018 -5.901 7.229 1.00 1.66 H new ATOM 794 N ASN A 69 -13.665 -9.424 6.165 1.00 1.06 N ATOM 795 CA ASN A 69 -14.779 -10.003 5.415 1.00 1.12 C ATOM 796 C ASN A 69 -14.767 -9.516 3.972 1.00 1.09 C ATOM 797 O ASN A 69 -15.692 -8.839 3.519 1.00 1.15 O ATOM 798 CB ASN A 69 -16.119 -9.681 6.073 1.00 1.24 C ATOM 799 CG ASN A 69 -17.167 -10.754 5.815 1.00 1.34 C ATOM 800 OD1 ASN A 69 -17.059 -11.537 4.870 1.00 1.74 O ATOM 801 ND2 ASN A 69 -18.188 -10.805 6.661 1.00 1.55 N ATOM 0 H ASN A 69 -13.083 -10.114 6.640 1.00 1.06 H new ATOM 0 HA ASN A 69 -14.653 -11.086 5.419 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -15.975 -9.569 7.148 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.483 -8.724 5.699 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.916 -11.509 6.540 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -18.245 -10.140 7.433 1.00 1.55 H new ATOM 808 N LEU A 70 -13.707 -9.863 3.256 1.00 1.04 N ATOM 809 CA LEU A 70 -13.544 -9.454 1.867 1.00 1.01 C ATOM 810 C LEU A 70 -13.451 -10.683 0.961 1.00 0.99 C ATOM 811 O LEU A 70 -12.390 -10.976 0.412 1.00 0.95 O ATOM 812 CB LEU A 70 -12.280 -8.588 1.715 1.00 1.01 C ATOM 813 CG LEU A 70 -12.497 -7.072 1.552 1.00 1.13 C ATOM 814 CD1 LEU A 70 -13.938 -6.671 1.836 1.00 1.61 C ATOM 815 CD2 LEU A 70 -11.549 -6.311 2.466 1.00 1.54 C ATOM 0 H LEU A 70 -12.941 -10.431 3.617 1.00 1.04 H new ATOM 0 HA LEU A 70 -14.412 -8.865 1.571 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -11.649 -8.750 2.589 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -11.723 -8.947 0.850 1.00 1.01 H new ATOM 0 HG LEU A 70 -12.285 -6.816 0.514 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -14.048 -5.594 1.710 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -14.603 -7.187 1.143 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -14.197 -6.945 2.859 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -11.709 -5.240 2.345 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -11.739 -6.591 3.502 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -10.519 -6.556 2.207 1.00 1.54 H new ATOM 827 N PRO A 71 -14.564 -11.420 0.784 1.00 1.06 N ATOM 828 CA PRO A 71 -14.566 -12.665 0.013 1.00 1.11 C ATOM 829 C PRO A 71 -14.563 -12.423 -1.490 1.00 1.05 C ATOM 830 O PRO A 71 -14.123 -13.270 -2.264 1.00 1.09 O ATOM 831 CB PRO A 71 -15.869 -13.334 0.442 1.00 1.28 C ATOM 832 CG PRO A 71 -16.781 -12.211 0.790 1.00 1.30 C ATOM 833 CD PRO A 71 -15.909 -11.099 1.312 1.00 1.18 C ATOM 0 HA PRO A 71 -13.675 -13.263 0.201 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -16.283 -13.944 -0.361 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -15.712 -13.994 1.295 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -17.345 -11.884 -0.084 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -17.508 -12.520 1.542 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -16.253 -10.125 0.963 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -15.913 -11.067 2.402 1.00 1.18 H new ATOM 841 N ASP A 72 -15.057 -11.264 -1.900 1.00 1.04 N ATOM 842 CA ASP A 72 -15.128 -10.932 -3.317 1.00 1.07 C ATOM 843 C ASP A 72 -13.936 -10.089 -3.731 1.00 0.94 C ATOM 844 O ASP A 72 -13.718 -9.838 -4.916 1.00 0.95 O ATOM 845 CB ASP A 72 -16.426 -10.196 -3.635 1.00 1.24 C ATOM 846 CG ASP A 72 -17.118 -10.762 -4.857 1.00 1.49 C ATOM 847 OD1 ASP A 72 -16.851 -11.930 -5.209 1.00 1.93 O ATOM 848 OD2 ASP A 72 -17.919 -10.035 -5.482 1.00 1.97 O ATOM 0 H ASP A 72 -15.413 -10.540 -1.276 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.109 -11.864 -3.882 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.097 -10.258 -2.778 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -16.213 -9.139 -3.797 1.00 1.24 H new ATOM 853 N TYR A 73 -13.157 -9.667 -2.743 1.00 0.87 N ATOM 854 CA TYR A 73 -11.957 -8.882 -2.995 1.00 0.79 C ATOM 855 C TYR A 73 -10.969 -9.685 -3.827 1.00 0.74 C ATOM 856 O TYR A 73 -10.358 -9.164 -4.751 1.00 0.73 O ATOM 857 CB TYR A 73 -11.311 -8.467 -1.673 1.00 0.78 C ATOM 858 CG TYR A 73 -10.340 -7.310 -1.789 1.00 0.73 C ATOM 859 CD1 TYR A 73 -10.779 -6.050 -2.175 1.00 0.88 C ATOM 860 CD2 TYR A 73 -8.987 -7.477 -1.524 1.00 0.80 C ATOM 861 CE1 TYR A 73 -9.899 -4.991 -2.292 1.00 0.97 C ATOM 862 CE2 TYR A 73 -8.100 -6.421 -1.637 1.00 0.90 C ATOM 863 CZ TYR A 73 -8.549 -5.189 -1.986 1.00 0.94 C ATOM 864 OH TYR A 73 -7.683 -4.126 -2.134 1.00 1.13 O ATOM 0 H TYR A 73 -13.336 -9.856 -1.757 1.00 0.87 H new ATOM 0 HA TYR A 73 -12.236 -7.985 -3.548 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.097 -8.197 -0.967 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -10.787 -9.325 -1.253 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -11.827 -5.895 -2.387 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -8.621 -8.448 -1.225 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -10.250 -4.022 -2.616 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -7.048 -6.578 -1.447 1.00 0.90 H new ATOM 0 HH TYR A 73 -6.895 -4.265 -1.569 1.00 1.13 H new ATOM 874 N HIS A 74 -10.859 -10.969 -3.515 1.00 0.79 N ATOM 875 CA HIS A 74 -9.924 -11.853 -4.205 1.00 0.80 C ATOM 876 C HIS A 74 -10.492 -12.319 -5.547 1.00 0.85 C ATOM 877 O HIS A 74 -9.884 -13.137 -6.238 1.00 0.91 O ATOM 878 CB HIS A 74 -9.599 -13.071 -3.333 1.00 0.89 C ATOM 879 CG HIS A 74 -9.138 -12.734 -1.943 1.00 0.79 C ATOM 880 ND1 HIS A 74 -8.459 -11.571 -1.667 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.278 -13.443 -0.798 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.204 -11.598 -0.373 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.678 -12.713 0.196 1.00 0.82 N ATOM 0 H HIS A 74 -11.407 -11.425 -2.786 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.010 -11.289 -4.393 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -10.486 -13.701 -3.266 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -8.826 -13.660 -3.826 1.00 0.89 H new ATOM 0 HD1 HIS A 74 -8.204 -10.837 -2.328 1.00 0.91 H new ATOM 0 HD2 HIS A 74 -9.768 -14.399 -0.689 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -7.679 -10.819 0.160 1.00 0.78 H new ATOM 891 N LYS A 75 -11.663 -11.809 -5.907 1.00 0.89 N ATOM 892 CA LYS A 75 -12.291 -12.163 -7.172 1.00 0.97 C ATOM 893 C LYS A 75 -12.223 -10.988 -8.137 1.00 0.92 C ATOM 894 O LYS A 75 -11.801 -11.133 -9.286 1.00 1.11 O ATOM 895 CB LYS A 75 -13.750 -12.577 -6.954 1.00 1.09 C ATOM 896 CG LYS A 75 -13.930 -13.685 -5.924 1.00 1.20 C ATOM 897 CD LYS A 75 -13.785 -15.063 -6.552 1.00 1.68 C ATOM 898 CE LYS A 75 -14.873 -16.012 -6.070 1.00 2.05 C ATOM 899 NZ LYS A 75 -14.347 -17.379 -5.810 1.00 2.86 N ATOM 0 H LYS A 75 -12.196 -11.149 -5.341 1.00 0.89 H new ATOM 0 HA LYS A 75 -11.751 -13.008 -7.600 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -14.322 -11.704 -6.638 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.170 -12.906 -7.904 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -13.193 -13.567 -5.130 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -14.913 -13.597 -5.462 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -13.831 -14.976 -7.638 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -12.806 -15.475 -6.306 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -15.321 -15.617 -5.158 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.665 -16.065 -6.817 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -15.121 -17.992 -5.484 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -13.943 -17.768 -6.686 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -13.609 -17.334 -5.078 1.00 2.86 H new ATOM 913 N ILE A 76 -12.638 -9.824 -7.657 1.00 0.78 N ATOM 914 CA ILE A 76 -12.619 -8.611 -8.461 1.00 0.77 C ATOM 915 C ILE A 76 -11.211 -8.029 -8.525 1.00 0.69 C ATOM 916 O ILE A 76 -10.782 -7.509 -9.559 1.00 0.78 O ATOM 917 CB ILE A 76 -13.588 -7.552 -7.890 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.017 -8.100 -7.874 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.516 -6.258 -8.695 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.915 -7.428 -6.859 1.00 1.00 C ATOM 0 H ILE A 76 -12.994 -9.694 -6.710 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.943 -8.878 -9.467 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.289 -7.326 -6.866 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.453 -7.982 -8.866 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.984 -9.169 -7.665 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.207 -5.528 -8.273 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.501 -5.861 -8.656 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.788 -6.459 -9.731 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.911 -7.869 -6.906 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.503 -7.568 -5.860 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.979 -6.362 -7.079 1.00 1.00 H new ATOM 932 N ILE A 77 -10.494 -8.129 -7.419 1.00 0.58 N ATOM 933 CA ILE A 77 -9.148 -7.597 -7.326 1.00 0.53 C ATOM 934 C ILE A 77 -8.132 -8.723 -7.511 1.00 0.64 C ATOM 935 O ILE A 77 -8.292 -9.808 -6.956 1.00 0.75 O ATOM 936 CB ILE A 77 -8.936 -6.891 -5.966 1.00 0.46 C ATOM 937 CG1 ILE A 77 -9.824 -5.646 -5.867 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.481 -6.523 -5.757 1.00 0.44 C ATOM 939 CD1 ILE A 77 -9.652 -4.677 -7.019 1.00 0.50 C ATOM 0 H ILE A 77 -10.827 -8.578 -6.566 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.004 -6.860 -8.116 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.220 -7.589 -5.178 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -10.867 -5.958 -5.820 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -9.604 -5.128 -4.933 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.366 -6.029 -4.792 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -6.871 -7.426 -5.777 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.158 -5.849 -6.551 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.313 -3.822 -6.877 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -8.618 -4.334 -7.054 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -9.901 -5.177 -7.955 1.00 0.50 H new ATOM 951 N LYS A 78 -7.101 -8.469 -8.307 1.00 0.74 N ATOM 952 CA LYS A 78 -6.108 -9.491 -8.617 1.00 0.90 C ATOM 953 C LYS A 78 -5.010 -9.523 -7.563 1.00 0.73 C ATOM 954 O LYS A 78 -4.547 -10.594 -7.166 1.00 0.72 O ATOM 955 CB LYS A 78 -5.510 -9.240 -10.002 1.00 1.16 C ATOM 956 CG LYS A 78 -6.390 -9.733 -11.142 1.00 1.45 C ATOM 957 CD LYS A 78 -6.808 -8.595 -12.058 1.00 1.67 C ATOM 958 CE LYS A 78 -8.316 -8.394 -12.064 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.948 -9.006 -13.262 1.00 1.99 N ATOM 0 H LYS A 78 -6.930 -7.566 -8.749 1.00 0.74 H new ATOM 0 HA LYS A 78 -6.604 -10.462 -8.616 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.335 -8.171 -10.125 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.539 -9.732 -10.064 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -5.852 -10.486 -11.718 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.277 -10.217 -10.734 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.321 -7.674 -11.738 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.466 -8.801 -13.072 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.745 -8.832 -11.163 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.541 -7.328 -12.039 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.976 -8.849 -13.231 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -8.557 -8.570 -14.122 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -8.754 -10.028 -13.273 1.00 1.99 H new ATOM 973 N ASN A 79 -4.590 -8.347 -7.120 1.00 0.67 N ATOM 974 CA ASN A 79 -3.581 -8.242 -6.078 1.00 0.56 C ATOM 975 C ASN A 79 -4.193 -7.649 -4.818 1.00 0.54 C ATOM 976 O ASN A 79 -4.311 -6.429 -4.691 1.00 0.52 O ATOM 977 CB ASN A 79 -2.413 -7.376 -6.546 1.00 0.60 C ATOM 978 CG ASN A 79 -1.284 -8.194 -7.131 1.00 1.09 C ATOM 979 OD1 ASN A 79 -0.767 -9.112 -6.494 1.00 2.05 O ATOM 980 ND2 ASN A 79 -0.896 -7.868 -8.352 1.00 1.28 N ATOM 0 H ASN A 79 -4.933 -7.451 -7.467 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.206 -9.242 -5.858 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.768 -6.666 -7.293 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.037 -6.793 -5.705 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.140 -8.385 -8.802 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.352 -7.100 -8.844 1.00 1.28 H new ATOM 987 N PRO A 80 -4.610 -8.510 -3.880 1.00 0.58 N ATOM 988 CA PRO A 80 -5.246 -8.081 -2.631 1.00 0.60 C ATOM 989 C PRO A 80 -4.273 -7.359 -1.704 1.00 0.55 C ATOM 990 O PRO A 80 -3.572 -7.988 -0.910 1.00 0.64 O ATOM 991 CB PRO A 80 -5.719 -9.395 -1.992 1.00 0.70 C ATOM 992 CG PRO A 80 -5.610 -10.430 -3.059 1.00 0.89 C ATOM 993 CD PRO A 80 -4.505 -9.974 -3.960 1.00 0.67 C ATOM 0 HA PRO A 80 -6.051 -7.369 -2.812 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -5.103 -9.655 -1.131 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -6.745 -9.309 -1.635 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.388 -11.409 -2.633 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.547 -10.526 -3.608 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -3.532 -10.330 -3.621 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -4.638 -10.335 -4.980 1.00 0.67 H new ATOM 1001 N MET A 81 -4.234 -6.038 -1.813 1.00 0.46 N ATOM 1002 CA MET A 81 -3.327 -5.223 -1.014 1.00 0.43 C ATOM 1003 C MET A 81 -4.046 -4.006 -0.464 1.00 0.43 C ATOM 1004 O MET A 81 -5.156 -3.673 -0.893 1.00 0.55 O ATOM 1005 CB MET A 81 -2.124 -4.779 -1.852 1.00 0.44 C ATOM 1006 CG MET A 81 -1.174 -5.910 -2.211 1.00 0.74 C ATOM 1007 SD MET A 81 0.055 -6.222 -0.929 1.00 0.82 S ATOM 1008 CE MET A 81 -0.288 -7.941 -0.557 1.00 0.70 C ATOM 0 H MET A 81 -4.824 -5.504 -2.451 1.00 0.46 H new ATOM 0 HA MET A 81 -2.973 -5.830 -0.180 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.484 -4.315 -2.770 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.573 -4.015 -1.303 1.00 0.44 H new ATOM 0 HG2 MET A 81 -1.749 -6.819 -2.386 1.00 0.74 H new ATOM 0 HG3 MET A 81 -0.666 -5.669 -3.145 1.00 0.74 H new ATOM 0 HE1 MET A 81 0.548 -8.367 -0.003 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.194 -8.009 0.045 1.00 0.70 H new ATOM 0 HE3 MET A 81 -0.427 -8.494 -1.486 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.395 -3.351 0.476 1.00 0.37 N ATOM 1019 CA ASP A 82 -3.944 -2.188 1.151 1.00 0.36 C ATOM 1020 C ASP A 82 -2.792 -1.289 1.598 1.00 0.35 C ATOM 1021 O ASP A 82 -1.972 -0.896 0.776 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.805 -2.621 2.346 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.114 -3.655 3.212 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.139 -4.855 2.862 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.518 -3.265 4.228 1.00 1.32 O ATOM 0 H ASP A 82 -2.462 -3.611 0.797 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.587 -1.632 0.469 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.047 -1.747 2.951 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.748 -3.028 1.982 1.00 0.38 H new ATOM 1030 N MET A 83 -2.699 -0.984 2.884 1.00 0.27 N ATOM 1031 CA MET A 83 -1.596 -0.167 3.380 1.00 0.26 C ATOM 1032 C MET A 83 -0.871 -0.887 4.506 1.00 0.25 C ATOM 1033 O MET A 83 0.279 -0.578 4.822 1.00 0.26 O ATOM 1034 CB MET A 83 -2.090 1.202 3.853 1.00 0.31 C ATOM 1035 CG MET A 83 -1.313 2.367 3.256 1.00 0.43 C ATOM 1036 SD MET A 83 -0.897 3.625 4.478 1.00 0.80 S ATOM 1037 CE MET A 83 -2.531 4.159 4.983 1.00 0.38 C ATOM 0 H MET A 83 -3.364 -1.284 3.597 1.00 0.27 H new ATOM 0 HA MET A 83 -0.899 -0.006 2.558 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.144 1.308 3.595 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.021 1.249 4.940 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.397 1.992 2.801 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.902 2.821 2.459 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.532 5.239 5.129 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.254 3.897 4.211 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.802 3.666 5.917 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.532 -1.882 5.076 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.947 -2.643 6.149 1.00 0.29 C ATOM 1049 C GLY A 84 -0.160 -3.801 5.599 1.00 0.26 C ATOM 1050 O GLY A 84 0.758 -4.309 6.238 1.00 0.32 O ATOM 0 H GLY A 84 -2.472 -2.175 4.809 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.297 -2.003 6.745 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.730 -3.009 6.813 1.00 0.29 H new ATOM 1054 N THR A 85 -0.523 -4.211 4.395 1.00 0.24 N ATOM 1055 CA THR A 85 0.196 -5.252 3.695 1.00 0.25 C ATOM 1056 C THR A 85 1.491 -4.704 3.112 1.00 0.26 C ATOM 1057 O THR A 85 2.531 -5.365 3.147 1.00 0.32 O ATOM 1058 CB THR A 85 -0.659 -5.849 2.566 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.583 -4.860 2.094 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.418 -7.074 3.047 1.00 0.84 C ATOM 0 H THR A 85 -1.319 -3.832 3.882 1.00 0.24 H new ATOM 0 HA THR A 85 0.426 -6.038 4.415 1.00 0.25 H new ATOM 0 HB THR A 85 0.002 -6.155 1.755 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.500 -5.180 2.224 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.015 -7.477 2.229 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.710 -7.830 3.386 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.074 -6.795 3.872 1.00 0.84 H new ATOM 1068 N ILE A 86 1.416 -3.488 2.585 1.00 0.27 N ATOM 1069 CA ILE A 86 2.585 -2.806 2.053 1.00 0.31 C ATOM 1070 C ILE A 86 3.639 -2.628 3.144 1.00 0.29 C ATOM 1071 O ILE A 86 4.808 -2.970 2.956 1.00 0.32 O ATOM 1072 CB ILE A 86 2.191 -1.436 1.454 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.537 -1.636 0.088 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.396 -0.515 1.334 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.808 -0.414 -0.418 1.00 0.97 C ATOM 0 H ILE A 86 0.551 -2.952 2.515 1.00 0.27 H new ATOM 0 HA ILE A 86 3.008 -3.419 1.257 1.00 0.31 H new ATOM 0 HB ILE A 86 1.478 -0.962 2.129 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.303 -1.917 -0.635 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.836 -2.468 0.149 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.084 0.439 0.910 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.827 -0.349 2.321 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.142 -0.974 0.685 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.369 -0.630 -1.392 1.00 0.97 H new ATOM 0 HD12 ILE A 86 0.019 -0.144 0.284 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.509 0.415 -0.512 1.00 0.97 H new ATOM 1087 N LYS A 87 3.214 -2.121 4.300 1.00 0.29 N ATOM 1088 CA LYS A 87 4.128 -1.925 5.417 1.00 0.34 C ATOM 1089 C LYS A 87 4.615 -3.270 5.959 1.00 0.34 C ATOM 1090 O LYS A 87 5.731 -3.369 6.467 1.00 0.38 O ATOM 1091 CB LYS A 87 3.474 -1.091 6.533 1.00 0.41 C ATOM 1092 CG LYS A 87 2.379 -1.817 7.300 1.00 0.49 C ATOM 1093 CD LYS A 87 2.813 -2.149 8.718 1.00 0.69 C ATOM 1094 CE LYS A 87 1.985 -3.286 9.303 1.00 1.08 C ATOM 1095 NZ LYS A 87 2.701 -3.980 10.405 1.00 1.15 N ATOM 0 H LYS A 87 2.251 -1.841 4.484 1.00 0.29 H new ATOM 0 HA LYS A 87 4.991 -1.370 5.049 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.246 -0.777 7.236 1.00 0.41 H new ATOM 0 HB3 LYS A 87 3.055 -0.185 6.095 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.483 -1.197 7.329 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.115 -2.735 6.776 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.867 -2.426 8.722 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.714 -1.264 9.347 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.039 -2.893 9.675 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.745 -4.003 8.517 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 2.244 -4.895 10.594 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 3.691 -4.138 10.130 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 2.669 -3.393 11.263 1.00 1.15 H new ATOM 1109 N LYS A 88 3.784 -4.305 5.821 1.00 0.35 N ATOM 1110 CA LYS A 88 4.135 -5.635 6.302 1.00 0.39 C ATOM 1111 C LYS A 88 5.330 -6.190 5.530 1.00 0.41 C ATOM 1112 O LYS A 88 6.233 -6.794 6.107 1.00 0.46 O ATOM 1113 CB LYS A 88 2.938 -6.575 6.155 1.00 0.42 C ATOM 1114 CG LYS A 88 2.912 -7.699 7.174 1.00 0.73 C ATOM 1115 CD LYS A 88 1.814 -8.705 6.860 1.00 1.26 C ATOM 1116 CE LYS A 88 1.248 -9.334 8.121 1.00 1.68 C ATOM 1117 NZ LYS A 88 0.858 -10.753 7.904 1.00 2.46 N ATOM 0 H LYS A 88 2.866 -4.244 5.381 1.00 0.35 H new ATOM 0 HA LYS A 88 4.408 -5.561 7.355 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.020 -5.995 6.245 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.947 -7.005 5.154 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.878 -8.204 7.186 1.00 0.73 H new ATOM 0 HG3 LYS A 88 2.755 -7.286 8.170 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.014 -8.210 6.310 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.211 -9.486 6.211 1.00 1.26 H new ATOM 0 HE2 LYS A 88 1.989 -9.279 8.919 1.00 1.68 H new ATOM 0 HE3 LYS A 88 0.379 -8.765 8.453 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 0.476 -11.147 8.788 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 0.133 -10.804 7.160 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 1.692 -11.302 7.612 1.00 2.46 H new ATOM 1131 N ARG A 89 5.326 -5.978 4.221 1.00 0.40 N ATOM 1132 CA ARG A 89 6.417 -6.433 3.367 1.00 0.44 C ATOM 1133 C ARG A 89 7.640 -5.539 3.534 1.00 0.43 C ATOM 1134 O ARG A 89 8.780 -5.996 3.419 1.00 0.48 O ATOM 1135 CB ARG A 89 5.974 -6.440 1.905 1.00 0.47 C ATOM 1136 CG ARG A 89 5.551 -7.812 1.408 1.00 0.68 C ATOM 1137 CD ARG A 89 4.459 -7.717 0.356 1.00 0.64 C ATOM 1138 NE ARG A 89 4.999 -7.532 -0.993 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.262 -7.167 -2.040 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.974 -6.894 -1.888 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.812 -7.060 -3.239 1.00 1.03 N ATOM 0 H ARG A 89 4.578 -5.493 3.726 1.00 0.40 H new ATOM 0 HA ARG A 89 6.684 -7.447 3.664 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.143 -5.745 1.782 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.791 -6.073 1.284 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.414 -8.330 0.990 1.00 0.68 H new ATOM 0 HG3 ARG A 89 5.196 -8.410 2.248 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.854 -8.623 0.381 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.797 -6.885 0.597 1.00 0.64 H new ATOM 0 HE ARG A 89 5.996 -7.692 -1.138 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.543 -6.963 -0.966 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.413 -6.615 -2.693 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.805 -7.258 -3.364 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.243 -6.780 -4.038 1.00 1.03 H new ATOM 1155 N LEU A 90 7.392 -4.262 3.800 1.00 0.40 N ATOM 1156 CA LEU A 90 8.461 -3.291 4.007 1.00 0.41 C ATOM 1157 C LEU A 90 9.291 -3.640 5.237 1.00 0.44 C ATOM 1158 O LEU A 90 10.515 -3.752 5.163 1.00 0.49 O ATOM 1159 CB LEU A 90 7.876 -1.888 4.172 1.00 0.39 C ATOM 1160 CG LEU A 90 7.791 -1.060 2.892 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.911 0.158 3.106 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.177 -0.638 2.432 1.00 0.45 C ATOM 0 H LEU A 90 6.453 -3.872 3.878 1.00 0.40 H new ATOM 0 HA LEU A 90 9.108 -3.317 3.130 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.875 -1.977 4.594 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.480 -1.344 4.897 1.00 0.39 H new ATOM 0 HG LEU A 90 7.345 -1.679 2.113 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.861 0.737 2.184 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.908 -0.163 3.388 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.331 0.775 3.900 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.094 -0.049 1.519 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.651 -0.038 3.209 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.782 -1.524 2.239 1.00 0.45 H new ATOM 1174 N GLU A 91 8.615 -3.821 6.365 1.00 0.45 N ATOM 1175 CA GLU A 91 9.289 -4.078 7.634 1.00 0.50 C ATOM 1176 C GLU A 91 9.994 -5.434 7.621 1.00 0.54 C ATOM 1177 O GLU A 91 11.033 -5.614 8.258 1.00 0.64 O ATOM 1178 CB GLU A 91 8.287 -4.013 8.792 1.00 0.53 C ATOM 1179 CG GLU A 91 7.227 -5.104 8.749 1.00 0.76 C ATOM 1180 CD GLU A 91 6.194 -4.964 9.846 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.572 -5.003 11.036 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.998 -4.821 9.526 1.00 1.39 O ATOM 0 H GLU A 91 7.597 -3.795 6.428 1.00 0.45 H new ATOM 0 HA GLU A 91 10.045 -3.305 7.775 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.830 -4.084 9.734 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.795 -3.041 8.780 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.727 -5.080 7.781 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.711 -6.077 8.834 1.00 0.76 H new ATOM 1189 N ASN A 92 9.439 -6.375 6.866 1.00 0.51 N ATOM 1190 CA ASN A 92 9.972 -7.733 6.810 1.00 0.57 C ATOM 1191 C ASN A 92 11.113 -7.836 5.804 1.00 0.60 C ATOM 1192 O ASN A 92 11.682 -8.912 5.617 1.00 0.68 O ATOM 1193 CB ASN A 92 8.868 -8.722 6.440 1.00 0.60 C ATOM 1194 CG ASN A 92 8.170 -9.311 7.650 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.738 -10.120 8.387 1.00 1.00 O ATOM 1196 ND2 ASN A 92 6.924 -8.916 7.857 1.00 1.30 N ATOM 0 H ASN A 92 8.617 -6.222 6.282 1.00 0.51 H new ATOM 0 HA ASN A 92 10.360 -7.979 7.798 1.00 0.57 H new ATOM 0 HB2 ASN A 92 8.132 -8.219 5.812 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.295 -9.529 5.845 1.00 0.60 H new ATOM 0 HD21 ASN A 92 6.398 -9.283 8.650 1.00 1.30 H new ATOM 0 HD22 ASN A 92 6.490 -8.245 7.224 1.00 1.30 H new ATOM 1203 N ASN A 93 11.429 -6.708 5.160 1.00 0.58 N ATOM 1204 CA ASN A 93 12.516 -6.627 4.179 1.00 0.62 C ATOM 1205 C ASN A 93 12.275 -7.567 3.003 1.00 0.66 C ATOM 1206 O ASN A 93 13.140 -8.362 2.636 1.00 0.77 O ATOM 1207 CB ASN A 93 13.867 -6.940 4.823 1.00 0.70 C ATOM 1208 CG ASN A 93 14.806 -5.767 4.806 1.00 0.87 C ATOM 1209 OD1 ASN A 93 14.499 -4.695 5.337 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.957 -5.960 4.203 1.00 1.22 N ATOM 0 H ASN A 93 10.938 -5.825 5.304 1.00 0.58 H new ATOM 0 HA ASN A 93 12.534 -5.603 3.806 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.708 -7.258 5.854 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.329 -7.777 4.299 1.00 0.70 H new ATOM 0 HD21 ASN A 93 16.642 -5.206 4.159 1.00 1.22 H new ATOM 0 HD22 ASN A 93 16.165 -6.864 3.779 1.00 1.22 H new ATOM 1217 N TYR A 94 11.089 -7.479 2.421 1.00 0.61 N ATOM 1218 CA TYR A 94 10.742 -8.308 1.282 1.00 0.67 C ATOM 1219 C TYR A 94 11.270 -7.711 -0.014 1.00 0.70 C ATOM 1220 O TYR A 94 11.635 -8.436 -0.937 1.00 0.79 O ATOM 1221 CB TYR A 94 9.227 -8.472 1.192 1.00 0.71 C ATOM 1222 CG TYR A 94 8.782 -9.359 0.062 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.113 -10.705 0.030 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.031 -8.841 -0.973 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.704 -11.511 -1.016 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.618 -9.631 -2.017 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.969 -11.018 -2.004 1.00 0.85 C ATOM 1228 OH TYR A 94 7.543 -11.760 -3.082 1.00 0.96 O ATOM 0 H TYR A 94 10.352 -6.841 2.720 1.00 0.61 H new ATOM 0 HA TYR A 94 11.205 -9.284 1.425 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.858 -8.883 2.132 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.770 -7.489 1.073 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.698 -11.129 0.833 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.763 -7.795 -0.962 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.986 -12.553 -1.029 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.041 -9.215 -2.830 1.00 0.81 H new ATOM 0 HH TYR A 94 7.830 -12.691 -2.972 1.00 0.96 H new ATOM 1238 N TYR A 95 11.300 -6.392 -0.080 1.00 0.77 N ATOM 1239 CA TYR A 95 11.705 -5.698 -1.294 1.00 0.88 C ATOM 1240 C TYR A 95 13.187 -5.425 -1.309 1.00 0.75 C ATOM 1241 O TYR A 95 13.881 -5.592 -0.310 1.00 1.04 O ATOM 1242 CB TYR A 95 10.997 -4.354 -1.420 1.00 1.17 C ATOM 1243 CG TYR A 95 9.506 -4.395 -1.262 1.00 0.95 C ATOM 1244 CD1 TYR A 95 8.718 -5.062 -2.183 1.00 0.92 C ATOM 1245 CD2 TYR A 95 8.890 -3.804 -0.174 1.00 1.05 C ATOM 1246 CE1 TYR A 95 7.356 -5.141 -2.024 1.00 0.96 C ATOM 1247 CE2 TYR A 95 7.529 -3.873 -0.006 1.00 1.09 C ATOM 1248 CZ TYR A 95 6.751 -4.394 -1.010 1.00 1.04 C ATOM 1249 OH TYR A 95 5.401 -4.627 -0.769 1.00 1.28 O ATOM 0 H TYR A 95 11.048 -5.777 0.694 1.00 0.77 H new ATOM 0 HA TYR A 95 11.436 -6.353 -2.123 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.406 -3.675 -0.672 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.230 -3.930 -2.397 1.00 1.17 H new ATOM 0 HD1 TYR A 95 9.181 -5.528 -3.040 1.00 0.92 H new ATOM 0 HD2 TYR A 95 9.489 -3.280 0.556 1.00 1.05 H new ATOM 0 HE1 TYR A 95 6.763 -5.770 -2.672 1.00 0.96 H new ATOM 0 HE2 TYR A 95 7.074 -3.520 0.908 1.00 1.09 H new ATOM 0 HH TYR A 95 4.898 -4.532 -1.605 1.00 1.28 H new ATOM 1259 N TRP A 96 13.652 -5.000 -2.463 1.00 0.72 N ATOM 1260 CA TRP A 96 14.986 -4.477 -2.605 1.00 0.65 C ATOM 1261 C TRP A 96 14.970 -2.983 -2.323 1.00 0.61 C ATOM 1262 O TRP A 96 15.811 -2.456 -1.597 1.00 0.64 O ATOM 1263 CB TRP A 96 15.485 -4.727 -4.024 1.00 0.68 C ATOM 1264 CG TRP A 96 16.963 -4.607 -4.161 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.739 -3.548 -3.799 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.840 -5.581 -4.716 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.053 -3.823 -4.061 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.142 -5.061 -4.640 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.646 -6.845 -5.262 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.253 -5.765 -5.095 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 18.749 -7.545 -5.719 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.037 -7.004 -5.631 1.00 1.05 C ATOM 0 H TRP A 96 13.112 -5.009 -3.328 1.00 0.72 H new ATOM 0 HA TRP A 96 15.652 -4.974 -1.899 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.178 -5.725 -4.339 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.006 -4.018 -4.700 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.372 -2.628 -3.369 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.839 -3.206 -3.858 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.656 -7.271 -5.328 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.247 -5.349 -5.027 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 18.614 -8.526 -6.151 1.00 1.03 H new ATOM 0 HH2 TRP A 96 20.877 -7.577 -5.994 1.00 1.05 H new ATOM 1283 N SER A 97 13.980 -2.315 -2.890 1.00 0.60 N ATOM 1284 CA SER A 97 13.913 -0.871 -2.853 1.00 0.56 C ATOM 1285 C SER A 97 12.457 -0.407 -2.928 1.00 0.54 C ATOM 1286 O SER A 97 11.542 -1.224 -3.076 1.00 0.55 O ATOM 1287 CB SER A 97 14.734 -0.313 -4.020 1.00 0.58 C ATOM 1288 OG SER A 97 14.638 1.099 -4.112 1.00 1.00 O ATOM 0 H SER A 97 13.206 -2.758 -3.385 1.00 0.60 H new ATOM 0 HA SER A 97 14.327 -0.500 -1.916 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.779 -0.598 -3.897 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.390 -0.761 -4.952 1.00 0.58 H new ATOM 0 HG SER A 97 15.516 1.499 -3.938 1.00 1.00 H new ATOM 1294 N ALA A 98 12.247 0.901 -2.845 1.00 0.54 N ATOM 1295 CA ALA A 98 10.906 1.475 -2.848 1.00 0.56 C ATOM 1296 C ALA A 98 10.242 1.323 -4.212 1.00 0.52 C ATOM 1297 O ALA A 98 9.021 1.422 -4.336 1.00 0.53 O ATOM 1298 CB ALA A 98 10.964 2.941 -2.450 1.00 0.66 C ATOM 0 H ALA A 98 12.996 1.590 -2.774 1.00 0.54 H new ATOM 0 HA ALA A 98 10.304 0.931 -2.120 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.958 3.360 -2.456 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.389 3.030 -1.450 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.588 3.486 -3.159 1.00 0.66 H new ATOM 1304 N SER A 99 11.053 1.068 -5.230 1.00 0.52 N ATOM 1305 CA SER A 99 10.550 0.864 -6.581 1.00 0.54 C ATOM 1306 C SER A 99 9.679 -0.394 -6.655 1.00 0.48 C ATOM 1307 O SER A 99 8.883 -0.559 -7.578 1.00 0.50 O ATOM 1308 CB SER A 99 11.726 0.766 -7.555 1.00 0.62 C ATOM 1309 OG SER A 99 12.952 1.035 -6.887 1.00 0.85 O ATOM 0 H SER A 99 12.067 0.997 -5.144 1.00 0.52 H new ATOM 0 HA SER A 99 9.927 1.715 -6.858 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.757 -0.230 -7.997 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.588 1.473 -8.373 1.00 0.62 H new ATOM 0 HG SER A 99 13.694 0.967 -7.524 1.00 0.85 H new ATOM 1315 N GLU A 100 9.821 -1.267 -5.666 1.00 0.46 N ATOM 1316 CA GLU A 100 9.022 -2.472 -5.595 1.00 0.48 C ATOM 1317 C GLU A 100 7.708 -2.168 -4.886 1.00 0.44 C ATOM 1318 O GLU A 100 6.645 -2.630 -5.292 1.00 0.52 O ATOM 1319 CB GLU A 100 9.794 -3.555 -4.848 1.00 0.56 C ATOM 1320 CG GLU A 100 10.148 -4.763 -5.699 1.00 1.03 C ATOM 1321 CD GLU A 100 11.124 -5.685 -5.000 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.310 -5.316 -4.873 1.00 2.44 O ATOM 1323 OE2 GLU A 100 10.710 -6.778 -4.565 1.00 2.37 O ATOM 0 H GLU A 100 10.487 -1.157 -4.901 1.00 0.46 H new ATOM 0 HA GLU A 100 8.805 -2.830 -6.601 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.712 -3.123 -4.450 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.201 -3.886 -3.995 1.00 0.56 H new ATOM 0 HG2 GLU A 100 9.239 -5.314 -5.941 1.00 1.03 H new ATOM 0 HG3 GLU A 100 10.579 -4.428 -6.642 1.00 1.03 H new ATOM 1330 N CYS A 101 7.799 -1.352 -3.840 1.00 0.41 N ATOM 1331 CA CYS A 101 6.638 -0.959 -3.050 1.00 0.44 C ATOM 1332 C CYS A 101 5.712 -0.059 -3.861 1.00 0.38 C ATOM 1333 O CYS A 101 4.496 -0.065 -3.669 1.00 0.38 O ATOM 1334 CB CYS A 101 7.091 -0.231 -1.787 1.00 0.57 C ATOM 1335 SG CYS A 101 6.291 -0.801 -0.275 1.00 0.95 S ATOM 0 H CYS A 101 8.677 -0.946 -3.517 1.00 0.41 H new ATOM 0 HA CYS A 101 6.090 -1.859 -2.772 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.169 -0.349 -1.680 1.00 0.57 H new ATOM 0 HB3 CYS A 101 6.898 0.835 -1.907 1.00 0.57 H new ATOM 0 HG CYS A 101 6.516 -2.072 -0.117 1.00 0.95 H new ATOM 1341 N MET A 102 6.299 0.713 -4.773 1.00 0.39 N ATOM 1342 CA MET A 102 5.535 1.586 -5.657 1.00 0.44 C ATOM 1343 C MET A 102 4.509 0.784 -6.446 1.00 0.36 C ATOM 1344 O MET A 102 3.415 1.266 -6.731 1.00 0.39 O ATOM 1345 CB MET A 102 6.470 2.321 -6.618 1.00 0.58 C ATOM 1346 CG MET A 102 5.910 3.640 -7.130 1.00 0.75 C ATOM 1347 SD MET A 102 7.198 4.788 -7.657 1.00 1.02 S ATOM 1348 CE MET A 102 8.184 4.894 -6.166 1.00 1.13 C ATOM 0 H MET A 102 7.308 0.750 -4.918 1.00 0.39 H new ATOM 0 HA MET A 102 5.011 2.318 -5.043 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.418 2.510 -6.114 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.684 1.673 -7.468 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.239 3.444 -7.967 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.314 4.105 -6.345 1.00 0.75 H new ATOM 0 HE1 MET A 102 8.708 5.850 -6.143 1.00 1.13 H new ATOM 0 HE2 MET A 102 7.535 4.815 -5.294 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.911 4.082 -6.152 1.00 1.13 H new ATOM 1358 N GLN A 103 4.867 -0.452 -6.772 1.00 0.34 N ATOM 1359 CA GLN A 103 3.987 -1.328 -7.532 1.00 0.36 C ATOM 1360 C GLN A 103 2.748 -1.679 -6.717 1.00 0.30 C ATOM 1361 O GLN A 103 1.628 -1.687 -7.236 1.00 0.31 O ATOM 1362 CB GLN A 103 4.733 -2.604 -7.937 1.00 0.43 C ATOM 1363 CG GLN A 103 5.319 -2.564 -9.344 1.00 1.36 C ATOM 1364 CD GLN A 103 5.614 -1.157 -9.825 1.00 2.17 C ATOM 1365 OE1 GLN A 103 4.784 -0.525 -10.477 1.00 2.70 O ATOM 1366 NE2 GLN A 103 6.796 -0.653 -9.508 1.00 2.96 N ATOM 0 H GLN A 103 5.763 -0.870 -6.521 1.00 0.34 H new ATOM 0 HA GLN A 103 3.671 -0.803 -8.434 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.539 -2.782 -7.225 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.050 -3.450 -7.864 1.00 0.43 H new ATOM 0 HG2 GLN A 103 6.238 -3.149 -9.365 1.00 1.36 H new ATOM 0 HG3 GLN A 103 4.623 -3.039 -10.035 1.00 1.36 H new ATOM 0 HE21 GLN A 103 7.458 -1.208 -8.966 1.00 2.96 H new ATOM 0 HE22 GLN A 103 7.045 0.290 -9.806 1.00 2.96 H new ATOM 1375 N ASP A 104 2.950 -1.944 -5.434 1.00 0.30 N ATOM 1376 CA ASP A 104 1.857 -2.323 -4.550 1.00 0.32 C ATOM 1377 C ASP A 104 1.033 -1.106 -4.172 1.00 0.29 C ATOM 1378 O ASP A 104 -0.190 -1.182 -4.092 1.00 0.31 O ATOM 1379 CB ASP A 104 2.389 -2.997 -3.289 1.00 0.48 C ATOM 1380 CG ASP A 104 3.183 -4.245 -3.596 1.00 0.88 C ATOM 1381 OD1 ASP A 104 2.581 -5.222 -4.082 1.00 1.87 O ATOM 1382 OD2 ASP A 104 4.411 -4.259 -3.348 1.00 1.09 O ATOM 0 H ASP A 104 3.863 -1.903 -4.981 1.00 0.30 H new ATOM 0 HA ASP A 104 1.223 -3.030 -5.084 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.018 -2.294 -2.742 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.554 -3.252 -2.636 1.00 0.48 H new ATOM 1387 N PHE A 105 1.711 0.013 -3.947 1.00 0.30 N ATOM 1388 CA PHE A 105 1.045 1.274 -3.637 1.00 0.33 C ATOM 1389 C PHE A 105 0.117 1.672 -4.776 1.00 0.32 C ATOM 1390 O PHE A 105 -1.040 2.031 -4.554 1.00 0.38 O ATOM 1391 CB PHE A 105 2.079 2.374 -3.395 1.00 0.38 C ATOM 1392 CG PHE A 105 2.098 2.890 -1.989 1.00 0.32 C ATOM 1393 CD1 PHE A 105 0.995 3.543 -1.463 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.216 2.721 -1.190 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.008 4.019 -0.167 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.233 3.192 0.106 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.136 3.850 0.615 1.00 0.33 C ATOM 0 H PHE A 105 2.729 0.073 -3.974 1.00 0.30 H new ATOM 0 HA PHE A 105 0.454 1.142 -2.731 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.068 1.990 -3.644 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.878 3.203 -4.073 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.115 3.681 -2.074 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.084 2.215 -1.586 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.140 4.521 0.235 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.108 3.045 0.722 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.156 4.234 1.624 1.00 0.33 H new ATOM 1407 N ASN A 106 0.632 1.590 -5.999 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.167 1.854 -7.190 1.00 0.34 C ATOM 1409 C ASN A 106 -1.373 0.921 -7.221 1.00 0.32 C ATOM 1410 O ASN A 106 -2.507 1.358 -7.426 1.00 0.38 O ATOM 1411 CB ASN A 106 0.684 1.672 -8.454 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.146 1.464 -9.709 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.748 2.402 -10.233 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.177 0.236 -10.205 1.00 0.97 N ATOM 0 H ASN A 106 1.603 1.342 -6.191 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.520 2.885 -7.159 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.318 2.549 -8.587 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.346 0.817 -8.318 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.713 0.041 -11.050 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.335 -0.514 -9.741 1.00 0.97 H new ATOM 1421 N THR A 107 -1.116 -0.360 -6.977 1.00 0.29 N ATOM 1422 CA THR A 107 -2.165 -1.365 -6.956 1.00 0.30 C ATOM 1423 C THR A 107 -3.212 -1.045 -5.888 1.00 0.26 C ATOM 1424 O THR A 107 -4.404 -1.015 -6.181 1.00 0.27 O ATOM 1425 CB THR A 107 -1.582 -2.772 -6.708 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.617 -3.089 -7.722 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.676 -3.827 -6.705 1.00 0.39 C ATOM 0 H THR A 107 -0.182 -0.725 -6.790 1.00 0.29 H new ATOM 0 HA THR A 107 -2.646 -1.352 -7.934 1.00 0.30 H new ATOM 0 HB THR A 107 -1.101 -2.768 -5.730 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.103 -2.424 -7.707 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.235 -4.808 -6.528 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.394 -3.604 -5.916 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.185 -3.826 -7.669 1.00 0.39 H new ATOM 1435 N MET A 108 -2.756 -0.777 -4.665 1.00 0.26 N ATOM 1436 CA MET A 108 -3.644 -0.485 -3.539 1.00 0.26 C ATOM 1437 C MET A 108 -4.608 0.654 -3.867 1.00 0.24 C ATOM 1438 O MET A 108 -5.797 0.584 -3.547 1.00 0.27 O ATOM 1439 CB MET A 108 -2.813 -0.131 -2.300 1.00 0.32 C ATOM 1440 CG MET A 108 -3.525 0.790 -1.316 1.00 0.62 C ATOM 1441 SD MET A 108 -2.576 2.276 -0.944 1.00 0.88 S ATOM 1442 CE MET A 108 -3.837 3.297 -0.193 1.00 0.83 C ATOM 0 H MET A 108 -1.764 -0.756 -4.427 1.00 0.26 H new ATOM 0 HA MET A 108 -4.238 -1.376 -3.337 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.537 -1.051 -1.785 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.886 0.345 -2.621 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.493 1.076 -1.727 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.719 0.247 -0.391 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.491 4.330 -0.150 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.749 3.245 -0.787 1.00 0.83 H new ATOM 0 HE3 MET A 108 -4.041 2.940 0.816 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.099 1.685 -4.524 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.904 2.849 -4.841 1.00 0.23 C ATOM 1454 C PHE A 109 -5.931 2.498 -5.905 1.00 0.23 C ATOM 1455 O PHE A 109 -7.118 2.794 -5.763 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.015 4.001 -5.312 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.576 4.903 -4.196 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.509 5.514 -3.376 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.229 5.134 -3.961 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.110 6.340 -2.345 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.823 5.958 -2.931 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.764 6.563 -2.122 1.00 0.22 C ATOM 0 H PHE A 109 -3.133 1.737 -4.847 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.429 3.169 -3.941 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.135 3.593 -5.808 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.555 4.588 -6.054 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.562 5.342 -3.545 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.489 4.664 -4.591 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.848 6.812 -1.713 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.771 6.129 -2.758 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.449 7.209 -1.316 1.00 0.22 H new ATOM 1472 N THR A 110 -5.471 1.833 -6.957 1.00 0.22 N ATOM 1473 CA THR A 110 -6.350 1.433 -8.042 1.00 0.26 C ATOM 1474 C THR A 110 -7.359 0.388 -7.576 1.00 0.25 C ATOM 1475 O THR A 110 -8.480 0.333 -8.077 1.00 0.27 O ATOM 1476 CB THR A 110 -5.552 0.886 -9.240 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.660 -0.157 -8.823 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.759 1.998 -9.905 1.00 0.66 C ATOM 0 H THR A 110 -4.496 1.561 -7.080 1.00 0.22 H new ATOM 0 HA THR A 110 -6.889 2.325 -8.362 1.00 0.26 H new ATOM 0 HB THR A 110 -6.263 0.477 -9.957 1.00 0.31 H new ATOM 0 HG1 THR A 110 -4.761 -0.308 -7.860 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.201 1.593 -10.749 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.442 2.771 -10.258 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.064 2.430 -9.185 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.954 -0.424 -6.602 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.821 -1.448 -6.026 1.00 0.27 C ATOM 1488 C ASN A 111 -9.112 -0.821 -5.530 1.00 0.26 C ATOM 1489 O ASN A 111 -10.205 -1.322 -5.791 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.125 -2.153 -4.856 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.283 -3.338 -5.288 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.152 -3.628 -6.479 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -5.715 -4.041 -4.318 1.00 1.61 N ATOM 0 H ASN A 111 -6.021 -0.391 -6.192 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.042 -2.180 -6.803 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.491 -1.436 -4.334 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -7.878 -2.491 -4.144 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.145 -4.856 -4.545 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -5.848 -3.767 -3.344 1.00 1.61 H new ATOM 1500 N CYS A 112 -8.966 0.297 -4.830 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.098 1.034 -4.300 1.00 0.30 C ATOM 1502 C CYS A 112 -11.003 1.526 -5.430 1.00 0.31 C ATOM 1503 O CYS A 112 -12.227 1.440 -5.337 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.594 2.216 -3.467 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.881 3.371 -2.953 1.00 0.63 S ATOM 0 H CYS A 112 -8.060 0.715 -4.616 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.684 0.370 -3.665 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.093 1.831 -2.579 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.846 2.759 -4.045 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.369 4.268 -2.164 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.388 2.009 -6.506 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.126 2.580 -7.631 1.00 0.36 C ATOM 1513 C TYR A 113 -11.863 1.501 -8.424 1.00 0.41 C ATOM 1514 O TYR A 113 -12.822 1.789 -9.140 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.174 3.333 -8.564 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.433 4.473 -7.898 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.077 5.309 -6.996 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.094 4.719 -8.175 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.410 6.356 -6.389 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.420 5.763 -7.571 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.059 6.558 -6.671 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.415 7.619 -6.075 1.00 0.81 O ATOM 0 H TYR A 113 -9.375 2.017 -6.624 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.863 3.271 -7.221 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.448 2.629 -8.970 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.743 3.726 -9.407 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.118 5.138 -6.765 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.571 4.083 -8.874 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.929 7.010 -5.704 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.384 5.948 -7.814 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.496 7.674 -6.411 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.390 0.267 -8.320 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.988 -0.852 -9.042 1.00 0.43 C ATOM 1534 C ILE A 114 -13.033 -1.571 -8.197 1.00 0.47 C ATOM 1535 O ILE A 114 -14.165 -1.781 -8.633 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.918 -1.878 -9.472 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.868 -1.222 -10.370 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.558 -3.061 -10.187 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.569 -1.997 -10.448 1.00 0.44 C ATOM 0 H ILE A 114 -10.590 0.013 -7.740 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.466 -0.428 -9.925 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.424 -2.245 -8.572 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.278 -1.113 -11.374 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.661 -0.218 -10.000 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.784 -3.771 -10.481 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.265 -3.551 -9.518 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.083 -2.709 -11.075 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.872 -1.473 -11.102 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.137 -2.084 -9.451 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.763 -2.993 -10.847 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.633 -1.953 -6.988 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.467 -2.768 -6.111 1.00 0.51 C ATOM 1553 C TYR A 115 -14.711 -2.010 -5.661 1.00 0.52 C ATOM 1554 O TYR A 115 -15.787 -2.595 -5.515 1.00 0.78 O ATOM 1555 CB TYR A 115 -12.654 -3.215 -4.890 1.00 0.54 C ATOM 1556 CG TYR A 115 -13.374 -4.200 -3.995 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -13.685 -5.478 -4.445 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -13.740 -3.855 -2.699 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -14.339 -6.380 -3.631 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -14.394 -4.753 -1.878 1.00 1.03 C ATOM 1561 CZ TYR A 115 -14.691 -6.015 -2.349 1.00 1.04 C ATOM 1562 OH TYR A 115 -15.342 -6.915 -1.536 1.00 1.22 O ATOM 0 H TYR A 115 -11.726 -1.708 -6.590 1.00 0.44 H new ATOM 0 HA TYR A 115 -13.794 -3.643 -6.672 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -11.722 -3.665 -5.232 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.386 -2.336 -4.304 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.410 -5.770 -5.448 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -13.509 -2.868 -2.328 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -14.574 -7.369 -3.997 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -14.671 -4.469 -0.874 1.00 1.03 H new ATOM 0 HH TYR A 115 -15.072 -7.826 -1.775 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.560 -0.713 -5.457 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.657 0.111 -4.960 1.00 0.41 C ATOM 1574 C ASN A 116 -16.218 0.989 -6.071 1.00 0.45 C ATOM 1575 O ASN A 116 -15.817 0.869 -7.230 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.188 0.983 -3.797 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.460 0.191 -2.729 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.071 -0.528 -1.942 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.141 0.319 -2.697 1.00 0.88 N ATOM 0 H ASN A 116 -13.692 -0.205 -5.626 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.445 -0.554 -4.608 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.529 1.764 -4.176 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -16.049 1.481 -3.351 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.596 -0.190 -2.001 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.671 0.926 -3.368 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.144 1.868 -5.721 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.735 2.774 -6.694 1.00 0.53 C ATOM 1588 C LYS A 117 -16.811 3.968 -6.935 1.00 0.52 C ATOM 1589 O LYS A 117 -16.145 4.429 -6.013 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.098 3.262 -6.202 1.00 0.65 C ATOM 1591 CG LYS A 117 -20.272 2.652 -6.950 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.994 1.614 -6.108 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.682 0.572 -6.976 1.00 2.62 C ATOM 1594 NZ LYS A 117 -23.109 0.906 -7.224 1.00 3.47 N ATOM 0 H LYS A 117 -17.502 1.973 -4.772 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.869 2.236 -7.632 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.195 3.031 -5.141 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.142 4.347 -6.298 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.970 3.439 -7.236 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.917 2.191 -7.871 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.282 1.123 -5.444 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.732 2.107 -5.475 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -21.158 0.491 -7.928 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -21.617 -0.403 -6.492 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -23.539 0.170 -7.819 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -23.616 0.958 -6.317 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -23.171 1.824 -7.709 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.768 4.500 -8.173 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.923 5.659 -8.512 1.00 0.68 C ATOM 1610 C PRO A 118 -16.338 6.929 -7.765 1.00 0.70 C ATOM 1611 O PRO A 118 -15.645 7.947 -7.805 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.127 5.837 -10.018 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.747 4.570 -10.499 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.519 4.014 -9.339 1.00 0.68 C ATOM 0 HA PRO A 118 -14.884 5.489 -8.229 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.772 6.691 -10.227 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.178 6.023 -10.521 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.403 4.756 -11.349 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.985 3.866 -10.832 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.549 4.371 -9.332 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.559 2.925 -9.367 1.00 0.68 H new ATOM 1622 N THR A 119 -17.473 6.861 -7.091 1.00 0.67 N ATOM 1623 CA THR A 119 -17.960 7.968 -6.287 1.00 0.77 C ATOM 1624 C THR A 119 -18.205 7.514 -4.851 1.00 0.69 C ATOM 1625 O THR A 119 -19.042 8.075 -4.143 1.00 0.78 O ATOM 1626 CB THR A 119 -19.263 8.536 -6.877 1.00 0.97 C ATOM 1627 OG1 THR A 119 -19.564 7.868 -8.112 1.00 0.98 O ATOM 1628 CG2 THR A 119 -19.143 10.033 -7.119 1.00 1.23 C ATOM 0 H THR A 119 -18.080 6.041 -7.085 1.00 0.67 H new ATOM 0 HA THR A 119 -17.200 8.749 -6.292 1.00 0.77 H new ATOM 0 HB THR A 119 -20.068 8.367 -6.162 1.00 0.97 H new ATOM 0 HG1 THR A 119 -20.395 8.230 -8.485 1.00 0.98 H new ATOM 0 HG21 THR A 119 -20.077 10.410 -7.536 1.00 1.23 H new ATOM 0 HG22 THR A 119 -18.937 10.539 -6.176 1.00 1.23 H new ATOM 0 HG23 THR A 119 -18.330 10.224 -7.819 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.477 6.485 -4.431 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.650 5.919 -3.101 1.00 0.59 C ATOM 1638 C ASP A 120 -16.850 6.693 -2.066 1.00 0.47 C ATOM 1639 O ASP A 120 -16.027 7.543 -2.411 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.225 4.451 -3.077 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.335 3.547 -2.586 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -19.148 3.998 -1.752 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.386 2.376 -3.018 1.00 1.19 O ATOM 0 H ASP A 120 -16.761 6.026 -4.994 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.709 5.991 -2.852 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.924 4.144 -4.079 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.353 4.337 -2.433 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.079 6.369 -0.801 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.428 7.062 0.309 1.00 0.51 C ATOM 1650 C ASP A 121 -14.929 6.821 0.284 1.00 0.39 C ATOM 1651 O ASP A 121 -14.133 7.760 0.294 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.985 6.573 1.645 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.171 7.380 2.126 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.317 8.548 1.704 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.963 6.848 2.928 1.00 1.44 O ATOM 0 H ASP A 121 -17.715 5.625 -0.514 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.626 8.128 0.199 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.280 5.528 1.548 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.197 6.614 2.397 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.553 5.550 0.237 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.150 5.164 0.251 1.00 0.27 C ATOM 1662 C ILE A 122 -12.425 5.677 -0.995 1.00 0.25 C ATOM 1663 O ILE A 122 -11.229 5.968 -0.954 1.00 0.29 O ATOM 1664 CB ILE A 122 -12.996 3.630 0.375 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.518 3.238 0.456 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.682 2.921 -0.782 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.948 3.304 1.856 1.00 0.42 C ATOM 0 H ILE A 122 -15.204 4.766 0.189 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.690 5.624 1.126 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.482 3.314 1.298 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.398 2.225 0.072 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -10.940 3.896 -0.193 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.560 1.843 -0.672 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -14.744 3.168 -0.782 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.235 3.243 -1.723 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.898 3.013 1.835 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.035 4.322 2.237 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.500 2.625 2.506 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.155 5.807 -2.097 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.585 6.345 -3.324 1.00 0.25 C ATOM 1681 C VAL A 123 -12.310 7.834 -3.162 1.00 0.24 C ATOM 1682 O VAL A 123 -11.251 8.334 -3.557 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.518 6.115 -4.536 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.392 7.247 -5.548 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.215 4.776 -5.190 1.00 0.32 C ATOM 0 H VAL A 123 -14.139 5.548 -2.165 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.650 5.817 -3.514 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.546 6.102 -4.175 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.059 7.059 -6.389 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.663 8.191 -5.074 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.364 7.303 -5.906 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.880 4.628 -6.041 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.180 4.764 -5.531 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.368 3.975 -4.467 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.270 8.531 -2.568 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.129 9.950 -2.291 1.00 0.31 C ATOM 1697 C LEU A 124 -11.910 10.178 -1.414 1.00 0.29 C ATOM 1698 O LEU A 124 -11.174 11.149 -1.579 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.384 10.477 -1.594 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.349 11.248 -2.491 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.772 11.143 -1.962 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.917 12.699 -2.591 1.00 0.49 C ATOM 0 H LEU A 124 -14.159 8.131 -2.268 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.001 10.488 -3.230 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.917 9.634 -1.154 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.079 11.126 -0.773 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.328 10.809 -3.489 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.445 11.699 -2.615 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.074 10.096 -1.936 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.818 11.559 -0.955 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.611 13.242 -3.233 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.915 13.147 -1.597 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.914 12.752 -3.015 1.00 0.49 H new ATOM 1714 N MET A 125 -11.697 9.251 -0.494 1.00 0.25 N ATOM 1715 CA MET A 125 -10.556 9.315 0.395 1.00 0.26 C ATOM 1716 C MET A 125 -9.266 9.035 -0.360 1.00 0.24 C ATOM 1717 O MET A 125 -8.283 9.757 -0.205 1.00 0.25 O ATOM 1718 CB MET A 125 -10.721 8.321 1.545 1.00 0.35 C ATOM 1719 CG MET A 125 -11.868 8.664 2.479 1.00 0.62 C ATOM 1720 SD MET A 125 -12.400 7.264 3.480 1.00 0.54 S ATOM 1721 CE MET A 125 -13.417 8.106 4.687 1.00 0.62 C ATOM 0 H MET A 125 -12.303 8.444 -0.346 1.00 0.25 H new ATOM 0 HA MET A 125 -10.501 10.323 0.806 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.883 7.325 1.134 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.795 8.283 2.118 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.564 9.479 3.136 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.712 9.026 1.892 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.926 7.371 5.311 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.789 8.740 5.313 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.157 8.721 4.174 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.287 7.996 -1.189 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.113 7.591 -1.957 1.00 0.27 C ATOM 1733 C ALA A 126 -7.551 8.742 -2.793 1.00 0.25 C ATOM 1734 O ALA A 126 -6.337 8.859 -2.958 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.451 6.405 -2.849 1.00 0.31 C ATOM 0 H ALA A 126 -10.110 7.415 -1.347 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.341 7.297 -1.246 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.567 6.113 -3.416 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.780 5.568 -2.233 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.249 6.683 -3.538 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.433 9.598 -3.300 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.016 10.736 -4.113 1.00 0.30 C ATOM 1743 C GLN A 127 -7.137 11.692 -3.309 1.00 0.28 C ATOM 1744 O GLN A 127 -6.079 12.117 -3.779 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.235 11.479 -4.663 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.261 11.551 -6.183 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.548 11.017 -6.782 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.025 11.520 -7.799 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.113 9.987 -6.169 1.00 1.62 N ATOM 0 H GLN A 127 -9.441 9.525 -3.162 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.431 10.353 -4.949 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.141 10.984 -4.314 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.248 12.491 -4.258 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.125 12.587 -6.494 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -8.419 10.985 -6.582 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -10.687 9.598 -5.328 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -11.974 9.583 -6.538 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.575 12.019 -2.098 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.809 12.893 -1.215 1.00 0.28 C ATOM 1760 C ALA A 128 -5.564 12.178 -0.700 1.00 0.24 C ATOM 1761 O ALA A 128 -4.490 12.771 -0.591 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.671 13.358 -0.049 1.00 0.32 C ATOM 0 H ALA A 128 -8.457 11.692 -1.705 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.494 13.766 -1.786 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.085 14.009 0.600 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.533 13.906 -0.430 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.013 12.493 0.518 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.728 10.897 -0.394 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.632 10.048 0.070 1.00 0.17 C ATOM 1770 C LEU A 129 -3.491 10.040 -0.951 1.00 0.17 C ATOM 1771 O LEU A 129 -2.313 10.109 -0.595 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.145 8.614 0.278 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.642 8.253 1.688 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.499 9.361 2.272 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.428 6.953 1.639 1.00 0.33 C ATOM 0 H LEU A 129 -6.624 10.415 -0.460 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.256 10.445 1.013 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.960 8.440 -0.424 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.343 7.925 0.014 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.773 8.128 2.334 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.834 9.075 3.269 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.914 10.278 2.336 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.365 9.527 1.632 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.778 6.701 2.640 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.284 7.070 0.974 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.787 6.154 1.267 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.868 9.970 -2.222 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.917 9.909 -3.327 1.00 0.22 C ATOM 1789 C GLU A 130 -2.000 11.129 -3.372 1.00 0.20 C ATOM 1790 O GLU A 130 -0.849 11.027 -3.798 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.683 9.818 -4.645 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.447 8.542 -5.427 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.142 8.572 -6.771 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.087 9.622 -7.448 1.00 1.47 O ATOM 1795 OE2 GLU A 130 -4.753 7.556 -7.157 1.00 1.27 O ATOM 0 H GLU A 130 -4.844 9.954 -2.517 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.294 9.028 -3.174 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.749 9.909 -4.437 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.407 10.667 -5.270 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.377 8.398 -5.574 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.807 7.690 -4.850 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.503 12.272 -2.917 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.802 13.533 -3.078 1.00 0.28 C ATOM 1804 C LYS A 131 -0.483 13.510 -2.329 1.00 0.25 C ATOM 1805 O LYS A 131 0.561 13.833 -2.890 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.670 14.692 -2.585 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.941 14.895 -3.400 1.00 0.80 C ATOM 1808 CD LYS A 131 -3.659 15.603 -4.717 1.00 1.18 C ATOM 1809 CE LYS A 131 -4.824 15.462 -5.687 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.450 16.772 -6.003 1.00 2.24 N ATOM 0 H LYS A 131 -3.397 12.347 -2.432 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.595 13.677 -4.138 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -2.941 14.514 -1.544 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.083 15.610 -2.609 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -4.404 13.928 -3.599 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -4.656 15.478 -2.820 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -3.466 16.659 -4.529 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -2.757 15.189 -5.168 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -4.474 14.996 -6.608 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -5.573 14.797 -5.258 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.238 16.629 -6.666 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.808 17.206 -5.128 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.743 17.399 -6.436 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.528 13.096 -1.070 1.00 0.28 N ATOM 1825 CA ILE A 132 0.675 13.043 -0.254 1.00 0.33 C ATOM 1826 C ILE A 132 1.577 11.895 -0.691 1.00 0.26 C ATOM 1827 O ILE A 132 2.792 11.938 -0.481 1.00 0.29 O ATOM 1828 CB ILE A 132 0.364 12.903 1.251 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.032 12.318 1.472 1.00 0.46 C ATOM 1830 CG2 ILE A 132 0.493 14.252 1.944 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.234 11.757 2.862 1.00 0.59 C ATOM 0 H ILE A 132 -1.379 12.794 -0.595 1.00 0.28 H new ATOM 0 HA ILE A 132 1.189 13.993 -0.404 1.00 0.33 H new ATOM 0 HB ILE A 132 1.089 12.215 1.686 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.776 13.093 1.289 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.207 11.529 0.741 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.271 14.139 3.005 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.509 14.627 1.824 1.00 1.23 H new ATOM 0 HG23 ILE A 132 -0.209 14.958 1.500 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.245 11.359 2.950 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -0.513 10.960 3.041 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.090 12.548 3.598 1.00 0.59 H new ATOM 1843 N PHE A 133 0.980 10.881 -1.310 1.00 0.25 N ATOM 1844 CA PHE A 133 1.732 9.741 -1.813 1.00 0.28 C ATOM 1845 C PHE A 133 2.709 10.181 -2.903 1.00 0.26 C ATOM 1846 O PHE A 133 3.922 10.091 -2.729 1.00 0.28 O ATOM 1847 CB PHE A 133 0.781 8.671 -2.359 1.00 0.34 C ATOM 1848 CG PHE A 133 1.481 7.619 -3.161 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.461 6.825 -2.587 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.143 7.412 -4.486 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.088 5.843 -3.326 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.767 6.436 -5.226 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.814 5.694 -4.640 1.00 0.44 C ATOM 0 H PHE A 133 -0.025 10.828 -1.475 1.00 0.25 H new ATOM 0 HA PHE A 133 2.301 9.315 -0.986 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.259 8.198 -1.527 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.023 9.149 -2.980 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.736 6.976 -1.554 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.380 8.024 -4.944 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.803 5.189 -2.850 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.460 6.240 -6.243 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.395 5.009 -5.240 1.00 0.44 H new ATOM 1863 N LEU A 134 2.181 10.704 -4.006 1.00 0.27 N ATOM 1864 CA LEU A 134 3.019 11.071 -5.145 1.00 0.34 C ATOM 1865 C LEU A 134 3.866 12.294 -4.818 1.00 0.34 C ATOM 1866 O LEU A 134 4.918 12.514 -5.420 1.00 0.43 O ATOM 1867 CB LEU A 134 2.172 11.332 -6.398 1.00 0.42 C ATOM 1868 CG LEU A 134 0.890 12.142 -6.180 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.091 13.590 -6.604 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.265 11.514 -6.950 1.00 0.59 C ATOM 0 H LEU A 134 1.185 10.882 -4.136 1.00 0.27 H new ATOM 0 HA LEU A 134 3.682 10.231 -5.352 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.790 11.855 -7.128 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.902 10.372 -6.838 1.00 0.42 H new ATOM 0 HG LEU A 134 0.648 12.130 -5.117 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.169 14.148 -6.441 1.00 0.64 H new ATOM 0 HD12 LEU A 134 1.893 14.034 -6.014 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.355 13.626 -7.661 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.171 12.098 -6.788 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.028 11.500 -8.014 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.423 10.494 -6.600 1.00 0.59 H new ATOM 1882 N GLN A 135 3.409 13.070 -3.847 1.00 0.29 N ATOM 1883 CA GLN A 135 4.110 14.266 -3.423 1.00 0.35 C ATOM 1884 C GLN A 135 5.455 13.905 -2.812 1.00 0.36 C ATOM 1885 O GLN A 135 6.489 14.427 -3.215 1.00 0.55 O ATOM 1886 CB GLN A 135 3.264 15.031 -2.409 1.00 0.37 C ATOM 1887 CG GLN A 135 2.846 16.410 -2.888 1.00 0.51 C ATOM 1888 CD GLN A 135 4.027 17.330 -3.143 1.00 1.06 C ATOM 1889 OE1 GLN A 135 4.106 17.987 -4.181 1.00 1.43 O ATOM 1890 NE2 GLN A 135 4.951 17.392 -2.197 1.00 1.61 N ATOM 0 H GLN A 135 2.546 12.887 -3.335 1.00 0.29 H new ATOM 0 HA GLN A 135 4.283 14.898 -4.294 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.372 14.449 -2.179 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.826 15.132 -1.481 1.00 0.37 H new ATOM 0 HG2 GLN A 135 2.265 16.310 -3.805 1.00 0.51 H new ATOM 0 HG3 GLN A 135 2.192 16.865 -2.144 1.00 0.51 H new ATOM 0 HE21 GLN A 135 4.852 16.833 -1.350 1.00 1.61 H new ATOM 0 HE22 GLN A 135 5.762 17.999 -2.315 1.00 1.61 H new ATOM 1899 N LYS A 136 5.434 12.979 -1.863 1.00 0.25 N ATOM 1900 CA LYS A 136 6.634 12.603 -1.132 1.00 0.26 C ATOM 1901 C LYS A 136 7.484 11.621 -1.936 1.00 0.23 C ATOM 1902 O LYS A 136 8.659 11.407 -1.634 1.00 0.25 O ATOM 1903 CB LYS A 136 6.246 12.006 0.220 1.00 0.32 C ATOM 1904 CG LYS A 136 5.756 13.049 1.216 1.00 0.54 C ATOM 1905 CD LYS A 136 5.948 12.597 2.655 1.00 0.50 C ATOM 1906 CE LYS A 136 6.103 13.784 3.593 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.263 13.365 5.010 1.00 1.52 N ATOM 0 H LYS A 136 4.594 12.473 -1.581 1.00 0.25 H new ATOM 0 HA LYS A 136 7.236 13.496 -0.966 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.465 11.260 0.070 1.00 0.32 H new ATOM 0 HB3 LYS A 136 7.107 11.486 0.641 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.293 13.984 1.055 1.00 0.54 H new ATOM 0 HG3 LYS A 136 4.700 13.253 1.038 1.00 0.54 H new ATOM 0 HD2 LYS A 136 5.094 11.995 2.966 1.00 0.50 H new ATOM 0 HD3 LYS A 136 6.830 11.960 2.723 1.00 0.50 H new ATOM 0 HE2 LYS A 136 6.969 14.373 3.290 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.230 14.431 3.504 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.195 14.199 5.628 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.514 12.688 5.258 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 7.192 12.915 5.136 1.00 1.52 H new ATOM 1921 N VAL A 137 6.887 11.036 -2.967 1.00 0.23 N ATOM 1922 CA VAL A 137 7.596 10.116 -3.845 1.00 0.25 C ATOM 1923 C VAL A 137 8.421 10.894 -4.861 1.00 0.30 C ATOM 1924 O VAL A 137 9.528 10.494 -5.214 1.00 0.33 O ATOM 1925 CB VAL A 137 6.620 9.165 -4.579 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.306 8.448 -5.733 1.00 0.35 C ATOM 1927 CG2 VAL A 137 6.032 8.161 -3.605 1.00 0.33 C ATOM 0 H VAL A 137 5.909 11.184 -3.216 1.00 0.23 H new ATOM 0 HA VAL A 137 8.257 9.509 -3.226 1.00 0.25 H new ATOM 0 HB VAL A 137 5.813 9.768 -4.995 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.593 7.788 -6.227 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.677 9.182 -6.448 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.140 7.860 -5.351 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.347 7.498 -4.134 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.835 7.573 -3.160 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.491 8.689 -2.820 1.00 0.33 H new ATOM 1937 N ALA A 138 7.894 12.033 -5.299 1.00 0.34 N ATOM 1938 CA ALA A 138 8.584 12.868 -6.273 1.00 0.43 C ATOM 1939 C ALA A 138 9.819 13.512 -5.655 1.00 0.43 C ATOM 1940 O ALA A 138 10.649 14.095 -6.350 1.00 0.50 O ATOM 1941 CB ALA A 138 7.648 13.934 -6.819 1.00 0.50 C ATOM 0 H ALA A 138 6.992 12.398 -4.994 1.00 0.34 H new ATOM 0 HA ALA A 138 8.906 12.233 -7.098 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.180 14.548 -7.545 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.796 13.457 -7.303 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.296 14.562 -6.001 1.00 0.50 H new ATOM 1947 N GLN A 139 9.927 13.408 -4.339 1.00 0.39 N ATOM 1948 CA GLN A 139 11.061 13.956 -3.616 1.00 0.43 C ATOM 1949 C GLN A 139 12.095 12.875 -3.343 1.00 0.40 C ATOM 1950 O GLN A 139 13.201 13.161 -2.884 1.00 0.45 O ATOM 1951 CB GLN A 139 10.601 14.573 -2.298 1.00 0.45 C ATOM 1952 CG GLN A 139 9.293 15.334 -2.409 1.00 0.54 C ATOM 1953 CD GLN A 139 9.197 16.469 -1.414 1.00 1.08 C ATOM 1954 OE1 GLN A 139 8.354 16.452 -0.518 1.00 1.76 O ATOM 1955 NE2 GLN A 139 10.057 17.463 -1.565 1.00 1.56 N ATOM 0 H GLN A 139 9.237 12.945 -3.748 1.00 0.39 H new ATOM 0 HA GLN A 139 11.516 14.730 -4.233 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.490 13.783 -1.555 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.375 15.248 -1.932 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.192 15.731 -3.419 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.462 14.646 -2.252 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.740 17.436 -2.322 1.00 1.56 H new ATOM 0 HE22 GLN A 139 10.037 18.256 -0.924 1.00 1.56 H new ATOM 1964 N MET A 140 11.730 11.633 -3.630 1.00 0.35 N ATOM 1965 CA MET A 140 12.604 10.499 -3.366 1.00 0.35 C ATOM 1966 C MET A 140 13.785 10.477 -4.341 1.00 0.40 C ATOM 1967 O MET A 140 13.630 10.777 -5.526 1.00 0.48 O ATOM 1968 CB MET A 140 11.797 9.192 -3.437 1.00 0.38 C ATOM 1969 CG MET A 140 12.295 8.183 -4.464 1.00 0.66 C ATOM 1970 SD MET A 140 11.084 6.890 -4.821 1.00 0.86 S ATOM 1971 CE MET A 140 10.359 6.626 -3.203 1.00 0.67 C ATOM 0 H MET A 140 10.833 11.385 -4.047 1.00 0.35 H new ATOM 0 HA MET A 140 13.016 10.598 -2.362 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.808 8.722 -2.454 1.00 0.38 H new ATOM 0 HB3 MET A 140 10.759 9.435 -3.663 1.00 0.38 H new ATOM 0 HG2 MET A 140 12.545 8.705 -5.388 1.00 0.66 H new ATOM 0 HG3 MET A 140 13.213 7.723 -4.099 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.754 5.719 -3.219 1.00 0.67 H new ATOM 0 HE2 MET A 140 11.151 6.521 -2.462 1.00 0.67 H new ATOM 0 HE3 MET A 140 9.730 7.477 -2.943 1.00 0.67 H new ATOM 1981 N PRO A 141 14.988 10.146 -3.843 1.00 0.42 N ATOM 1982 CA PRO A 141 16.187 10.036 -4.679 1.00 0.52 C ATOM 1983 C PRO A 141 16.149 8.800 -5.571 1.00 0.61 C ATOM 1984 O PRO A 141 16.473 7.695 -5.129 1.00 0.67 O ATOM 1985 CB PRO A 141 17.323 9.919 -3.658 1.00 0.55 C ATOM 1986 CG PRO A 141 16.689 9.343 -2.446 1.00 0.53 C ATOM 1987 CD PRO A 141 15.279 9.869 -2.421 1.00 0.46 C ATOM 0 HA PRO A 141 16.293 10.882 -5.358 1.00 0.52 H new ATOM 0 HB2 PRO A 141 18.123 9.278 -4.028 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.767 10.892 -3.447 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.698 8.254 -2.482 1.00 0.53 H new ATOM 0 HG3 PRO A 141 17.230 9.636 -1.546 1.00 0.53 H new ATOM 0 HD2 PRO A 141 14.586 9.138 -2.004 1.00 0.46 H new ATOM 0 HD3 PRO A 141 15.197 10.769 -1.812 1.00 0.46 H new ATOM 1995 N GLN A 142 15.760 8.985 -6.825 1.00 0.76 N ATOM 1996 CA GLN A 142 15.683 7.879 -7.774 1.00 0.94 C ATOM 1997 C GLN A 142 17.078 7.446 -8.207 1.00 0.93 C ATOM 1998 O GLN A 142 17.246 6.430 -8.878 1.00 1.17 O ATOM 1999 CB GLN A 142 14.844 8.270 -8.988 1.00 1.21 C ATOM 2000 CG GLN A 142 13.380 7.887 -8.851 1.00 1.60 C ATOM 2001 CD GLN A 142 12.882 7.063 -10.019 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.186 7.573 -10.895 1.00 2.87 O ATOM 2003 NE2 GLN A 142 13.232 5.785 -10.041 1.00 2.91 N ATOM 0 H GLN A 142 15.492 9.891 -7.211 1.00 0.76 H new ATOM 0 HA GLN A 142 15.200 7.037 -7.279 1.00 0.94 H new ATOM 0 HB2 GLN A 142 14.919 9.347 -9.142 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.257 7.792 -9.876 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.240 7.324 -7.928 1.00 1.60 H new ATOM 0 HG3 GLN A 142 12.778 8.792 -8.767 1.00 1.60 H new ATOM 0 HE21 GLN A 142 13.811 5.402 -9.294 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.922 5.185 -10.805 1.00 2.91 H new ATOM 2012 N GLU A 143 18.071 8.227 -7.809 1.00 0.80 N ATOM 2013 CA GLU A 143 19.464 7.884 -8.032 1.00 0.91 C ATOM 2014 C GLU A 143 19.813 6.656 -7.203 1.00 0.87 C ATOM 2015 O GLU A 143 20.604 5.809 -7.615 1.00 1.20 O ATOM 2016 CB GLU A 143 20.347 9.056 -7.621 1.00 1.04 C ATOM 2017 CG GLU A 143 19.888 10.390 -8.182 1.00 1.22 C ATOM 2018 CD GLU A 143 21.041 11.276 -8.598 1.00 1.94 C ATOM 2019 OE1 GLU A 143 21.542 11.117 -9.730 1.00 2.70 O ATOM 2020 OE2 GLU A 143 21.457 12.133 -7.790 1.00 2.30 O ATOM 0 H GLU A 143 17.933 9.114 -7.324 1.00 0.80 H new ATOM 0 HA GLU A 143 19.628 7.667 -9.088 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.371 9.118 -6.533 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.368 8.864 -7.952 1.00 1.04 H new ATOM 0 HG2 GLU A 143 19.241 10.215 -9.042 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.289 10.908 -7.433 1.00 1.22 H new ATOM 2027 N GLU A 144 19.199 6.606 -6.023 1.00 0.77 N ATOM 2028 CA GLU A 144 19.279 5.475 -5.106 1.00 0.77 C ATOM 2029 C GLU A 144 20.618 5.397 -4.387 1.00 0.82 C ATOM 2030 O GLU A 144 21.674 5.699 -4.941 1.00 1.16 O ATOM 2031 CB GLU A 144 18.997 4.146 -5.813 1.00 0.82 C ATOM 2032 CG GLU A 144 17.668 3.517 -5.425 1.00 1.04 C ATOM 2033 CD GLU A 144 17.577 3.141 -3.956 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.049 3.936 -3.124 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.056 2.047 -3.628 1.00 1.87 O ATOM 0 H GLU A 144 18.620 7.368 -5.671 1.00 0.77 H new ATOM 0 HA GLU A 144 18.504 5.648 -4.359 1.00 0.77 H new ATOM 0 HB2 GLU A 144 19.011 4.308 -6.891 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.801 3.446 -5.585 1.00 0.82 H new ATOM 0 HG2 GLU A 144 16.863 4.213 -5.664 1.00 1.04 H new ATOM 0 HG3 GLU A 144 17.508 2.625 -6.030 1.00 1.04 H new ATOM 2042 N VAL A 145 20.539 4.993 -3.134 1.00 0.63 N ATOM 2043 CA VAL A 145 21.707 4.771 -2.301 1.00 0.68 C ATOM 2044 C VAL A 145 21.476 3.529 -1.450 1.00 0.61 C ATOM 2045 O VAL A 145 20.708 3.566 -0.492 1.00 0.61 O ATOM 2046 CB VAL A 145 22.009 5.966 -1.359 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.441 5.892 -0.859 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.751 7.307 -2.038 1.00 0.88 C ATOM 0 H VAL A 145 19.655 4.808 -2.660 1.00 0.63 H new ATOM 0 HA VAL A 145 22.562 4.650 -2.966 1.00 0.68 H new ATOM 0 HB VAL A 145 21.329 5.895 -0.510 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.640 6.736 -0.199 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.588 4.961 -0.311 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.125 5.926 -1.707 1.00 0.99 H new ATOM 0 HG21 VAL A 145 21.975 8.116 -1.343 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.388 7.398 -2.918 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.705 7.367 -2.339 1.00 0.88 H new ATOM 2058 N GLU A 146 22.106 2.423 -1.813 1.00 0.66 N ATOM 2059 CA GLU A 146 21.962 1.198 -1.041 1.00 0.68 C ATOM 2060 C GLU A 146 22.712 1.325 0.274 1.00 0.72 C ATOM 2061 O GLU A 146 23.802 1.900 0.326 1.00 0.75 O ATOM 2062 CB GLU A 146 22.482 -0.006 -1.820 1.00 0.79 C ATOM 2063 CG GLU A 146 22.101 -1.340 -1.195 1.00 1.00 C ATOM 2064 CD GLU A 146 22.104 -2.475 -2.195 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.117 -2.648 -2.904 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.103 -3.208 -2.275 1.00 1.24 O ATOM 0 H GLU A 146 22.715 2.347 -2.628 1.00 0.66 H new ATOM 0 HA GLU A 146 20.902 1.043 -0.842 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.094 0.034 -2.838 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.568 0.057 -1.890 1.00 0.79 H new ATOM 0 HG2 GLU A 146 22.797 -1.570 -0.388 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.110 -1.257 -0.748 1.00 1.00 H new ATOM 2073 N LEU A 147 22.132 0.793 1.333 1.00 0.76 N ATOM 2074 CA LEU A 147 22.742 0.883 2.640 1.00 0.86 C ATOM 2075 C LEU A 147 23.651 -0.313 2.868 1.00 1.01 C ATOM 2076 O LEU A 147 23.337 -1.407 2.353 1.00 1.57 O ATOM 2077 CB LEU A 147 21.678 0.962 3.737 1.00 0.86 C ATOM 2078 CG LEU A 147 20.669 2.103 3.587 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.488 1.902 4.527 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.339 3.444 3.852 1.00 0.82 C ATOM 2081 OXT LEU A 147 24.689 -0.154 3.541 1.00 1.46 O ATOM 0 H LEU A 147 21.242 0.296 1.311 1.00 0.76 H new ATOM 0 HA LEU A 147 23.336 1.796 2.683 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.134 0.018 3.761 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.179 1.066 4.700 1.00 0.86 H new ATOM 0 HG LEU A 147 20.296 2.099 2.563 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.782 2.724 4.405 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.992 0.960 4.292 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.843 1.878 5.557 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.607 4.244 3.741 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.740 3.457 4.866 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.150 3.593 3.139 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -17.990 -2.010 6.910 1.00 2.17 N ATOM 2095 CA GLY B 311 -17.716 -2.546 5.557 1.00 1.75 C ATOM 2096 C GLY B 311 -17.036 -1.524 4.677 1.00 1.45 C ATOM 2097 O GLY B 311 -17.334 -0.332 4.763 1.00 1.85 O ATOM 0 HA2 GLY B 311 -17.087 -3.433 5.638 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -18.651 -2.860 5.094 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.478 -0.553 -0.683 1.00 1.52 O HETATM 2102 CH ALY B 312 -10.393 -1.021 -0.340 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -9.338 -1.347 -1.360 1.00 1.86 C HETATM 2104 NZ ALY B 312 -10.080 -1.265 0.927 1.00 1.27 N HETATM 2105 CE ALY B 312 -10.979 -1.013 2.048 1.00 1.51 C HETATM 2106 CD ALY B 312 -11.736 -2.265 2.457 1.00 1.71 C HETATM 2107 CG ALY B 312 -12.995 -1.924 3.232 1.00 1.76 C HETATM 2108 CB ALY B 312 -14.203 -1.816 2.315 1.00 1.59 C HETATM 2109 CA ALY B 312 -15.383 -1.086 2.955 1.00 1.22 C HETATM 2110 N ALY B 312 -16.108 -1.979 3.846 1.00 1.27 N HETATM 2111 C ALY B 312 -16.308 -0.519 1.880 1.00 1.31 C HETATM 2112 O ALY B 312 -17.362 -1.087 1.590 1.00 1.71 O HETATM 0 HH33 ALY B 312 -9.725 -2.087 -2.060 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -9.065 -0.442 -1.903 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -8.458 -1.748 -0.858 1.00 1.86 H new HETATM 0 HZ ALY B 312 -9.158 -1.651 1.128 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -12.853 -0.982 3.761 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -13.177 -2.689 3.987 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -11.689 -0.232 1.776 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -10.406 -0.641 2.897 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -11.092 -2.898 3.067 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -11.998 -2.839 1.569 1.00 1.71 H new HETATM 0 HCA ALY B 312 -15.000 -0.253 3.545 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -14.519 -2.817 2.022 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -13.913 -1.294 1.403 1.00 1.59 H new HETATM 0 H ALY B 312 -15.798 -2.943 3.965 1.00 1.27 H new ATOM 2127 N GLY B 313 -15.907 0.607 1.306 1.00 1.29 N ATOM 2128 CA GLY B 313 -16.726 1.268 0.311 1.00 1.46 C ATOM 2129 C GLY B 313 -17.407 2.496 0.873 1.00 1.36 C ATOM 2130 O GLY B 313 -17.063 3.627 0.522 1.00 1.97 O ATOM 0 H GLY B 313 -15.025 1.076 1.513 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -16.107 1.553 -0.540 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -17.479 0.573 -0.061 1.00 1.46 H new ATOM 2134 N LYS B 314 -18.351 2.269 1.773 1.00 1.20 N ATOM 2135 CA LYS B 314 -19.107 3.346 2.398 1.00 1.15 C ATOM 2136 C LYS B 314 -18.784 3.389 3.883 1.00 1.02 C ATOM 2137 O LYS B 314 -19.084 2.448 4.619 1.00 1.28 O ATOM 2138 CB LYS B 314 -20.609 3.143 2.185 1.00 1.53 C ATOM 2139 CG LYS B 314 -21.199 4.032 1.102 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.594 3.573 0.711 1.00 2.24 C ATOM 2141 CE LYS B 314 -23.157 4.405 -0.429 1.00 2.95 C ATOM 2142 NZ LYS B 314 -24.603 4.703 -0.238 1.00 3.58 N ATOM 0 H LYS B 314 -18.615 1.336 2.091 1.00 1.20 H new ATOM 0 HA LYS B 314 -18.826 4.294 1.939 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -20.792 2.100 1.926 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.129 3.335 3.123 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -21.238 5.062 1.456 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -20.551 4.020 0.226 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -22.563 2.524 0.416 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -23.256 3.642 1.574 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -22.601 5.339 -0.505 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -23.017 3.873 -1.370 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -24.949 5.272 -1.037 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -25.138 3.812 -0.191 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -24.734 5.233 0.647 1.00 3.58 H new HETATM 2156 OH ALY B 315 -15.109 -1.304 7.038 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.072 -0.657 7.181 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -12.830 -1.299 7.733 1.00 1.45 C HETATM 2159 NZ ALY B 315 -13.972 0.630 6.873 1.00 1.04 N HETATM 2160 CE ALY B 315 -15.065 1.422 6.320 1.00 1.26 C HETATM 2161 CD ALY B 315 -14.591 2.310 5.180 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.701 3.192 4.644 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.112 4.269 5.644 1.00 0.92 C HETATM 2164 CA ALY B 315 -17.621 4.544 5.670 1.00 0.90 C HETATM 2165 N ALY B 315 -18.164 4.473 4.321 1.00 0.86 N HETATM 2166 C ALY B 315 -17.900 5.906 6.298 1.00 1.19 C HETATM 2167 O ALY B 315 -16.983 6.685 6.568 1.00 1.94 O HETATM 0 HH33 ALY B 315 -13.031 -1.680 8.734 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -12.528 -2.122 7.086 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -12.029 -0.561 7.779 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.077 1.093 7.033 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -16.566 2.576 4.399 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -15.373 3.664 3.718 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -15.502 2.039 7.105 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -15.852 0.758 5.962 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -14.202 1.688 4.374 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -13.768 2.935 5.526 1.00 1.06 H new HETATM 0 HCA ALY B 315 -18.110 3.783 6.278 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -15.587 5.194 5.404 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -15.789 3.969 6.641 1.00 0.92 H new ATOM 2182 N LYS B 316 -19.169 6.182 6.532 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.576 7.434 7.145 1.00 1.75 C ATOM 2184 C LYS B 316 -20.421 7.155 8.377 1.00 2.25 C ATOM 2185 O LYS B 316 -20.702 8.099 9.135 1.00 2.57 O ATOM 2186 CB LYS B 316 -20.357 8.292 6.145 1.00 2.43 C ATOM 2187 CG LYS B 316 -21.608 7.617 5.605 1.00 2.91 C ATOM 2188 CD LYS B 316 -22.825 8.522 5.717 1.00 3.60 C ATOM 2189 CE LYS B 316 -23.502 8.380 7.071 1.00 4.12 C ATOM 2190 NZ LYS B 316 -24.150 9.645 7.503 1.00 4.60 N ATOM 0 H LYS B 316 -19.940 5.553 6.306 1.00 1.45 H new ATOM 0 HA LYS B 316 -18.685 7.985 7.445 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -20.639 9.228 6.626 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -19.704 8.547 5.311 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -21.453 7.343 4.562 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -21.789 6.693 6.154 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -22.524 9.559 5.566 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -23.535 8.278 4.927 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -24.249 7.588 7.022 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -22.765 8.077 7.815 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -24.600 9.506 8.430 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -23.433 10.395 7.575 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -24.871 9.921 6.806 1.00 4.60 H new TER 2204 LYS B 316