USER MOD reduce.3.24.130724 H: found=0, std=0, add=1351, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 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 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 201 DAL H : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 115 CYS SG : rot -95:sc= 1.49 USER MOD Set 1.2: A 119 THR OG1 : rot -126:sc= 1.18 USER MOD Set 2.1: A 100 MET CE :methyl -131:sc= -2.68 (180deg=-0.661) USER MOD Set 2.2: A 102 ASN : amide:sc= -1.76 K(o=-11,f=-25!) USER MOD Set 2.3: A 108 ASN : amide:sc= -7.6! C(o=-11!,f=-17!) USER MOD Set 2.4: A 110 SER OG : rot 112:sc= 1.12 USER MOD Set 3.1: A 92 HIS :FLIP no HD1:sc= -3.86! C(o=-3.8!,f=-3.1!) USER MOD Set 3.2: A 99 SER OG : rot 49:sc= 0.797 USER MOD Set 4.1: A 63 GLN : amide:sc= -2.16 K(o=-2,f=-3.6) USER MOD Set 4.2: A 111 GLN : amide:sc= 0.135 K(o=-2,f=-3.6) USER MOD Set 5.1: A 62 CYS SG : rot -55:sc= 0 USER MOD Set 5.2: A 142 MET CE :methyl -160:sc= 0 (180deg=-0.151) USER MOD Set 6.1: A 31 LYS NZ :NH3+ 139:sc= 1.98 (180deg=-1.2) USER MOD Set 6.2: A 79 TYR OH : rot -42:sc= 2.13 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0093) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.447 (180deg=-0.702) USER MOD Single : A 3 ASN : amide:sc= -0.807 X(o=-0.81,f=-0.6) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 21 SER OG : rot 180:sc= -0.389 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 1.13 (180deg=0.946) USER MOD Single : A 32 THR OG1 : rot -169:sc= 1.19 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.33 F(o=-1.9,f=-1.3) USER MOD Single : A 40 SER OG : rot -160:sc= -0.231 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -148:sc= 0.89 USER MOD Single : A 49 LYS NZ :NH3+ -103:sc= 1.77 (180deg=-0.991!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.657 USER MOD Single : A 52 CYS SG : rot 47:sc= -0.145 USER MOD Single : A 54 HIS : no HE2:sc= 0.341 K(o=0.34,f=-2.3!) USER MOD Single : A 61 MET CE :methyl -158:sc= -0.405 (180deg=-1.12) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -0.131 K(o=-0.13,f=-4.4!) USER MOD Single : A 71 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= 1.15 (180deg=0.467) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.779 F(o=-1.6,f=-0.78) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0.897 (180deg=0.66) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 106 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.3) USER MOD Single : A 107 THR OG1 : rot -89:sc= -0.121 USER MOD Single : A 116 THR OG1 : rot 178:sc= 1.25 USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= 1.9 (180deg=0.786) USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= -0.0592 (180deg=-0.224) USER MOD Single : A 126 HIS : no HE2:sc= -0.825 K(o=-0.83,f=-5.8!) USER MOD Single : A 131 LYS NZ :NH3+ 179:sc= 1.02 (180deg=1) USER MOD Single : A 133 LYS NZ :NH3+ 169:sc= 0.936 (180deg=0.794) USER MOD Single : A 136 MET CE :methyl 176:sc= 0 (180deg=-0.0148) USER MOD Single : A 137 ASN : amide:sc= -2.41! C(o=-2.4!,f=-4!) USER MOD Single : A 147 SER OG : rot 90:sc= 1.05 USER MOD Single : A 149 ASN : amide:sc= 0.955 K(o=0.96,f=-9.4!) USER MOD Single : A 151 LYS NZ :NH3+ 155:sc= 2.04 (180deg=1.76) USER MOD Single : A 152 THR OG1 : rot -148:sc= 1.72 USER MOD Single : A 153 SER OG : rot 79:sc= 0.872 USER MOD Single : A 154 LYS NZ :NH3+ -117:sc= 0.394 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0161) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot -143:sc= 0.729 USER MOD Single : A 163 GLN : amide:sc= -0.473 K(o=-0.47,f=-4.5!) USER MOD Single : B 205 BMT OG1 : rot -100:sc= -2.91 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.118 -17.851 -12.128 1.00 5.69 N ATOM 2 CA MET A 1 0.351 -19.064 -11.900 1.00 5.04 C ATOM 3 C MET A 1 0.109 -19.286 -10.406 1.00 3.76 C ATOM 4 O MET A 1 -0.397 -20.332 -10.004 1.00 4.07 O ATOM 5 CB MET A 1 1.107 -20.262 -12.478 1.00 5.85 C ATOM 6 CG MET A 1 1.274 -20.127 -13.993 1.00 7.01 C ATOM 7 SD MET A 1 2.017 -21.605 -14.660 1.00 8.24 S ATOM 8 CE MET A 1 3.734 -21.282 -14.296 1.00 8.89 C ATOM 0 H1 MET A 1 1.583 -17.904 -13.057 1.00 5.69 H new ATOM 0 H2 MET A 1 0.482 -17.029 -12.106 1.00 5.69 H new ATOM 0 H3 MET A 1 1.839 -17.751 -11.385 1.00 5.69 H new ATOM 0 HA MET A 1 -0.615 -18.960 -12.394 1.00 5.04 H new ATOM 0 HB2 MET A 1 2.087 -20.340 -12.006 1.00 5.85 H new ATOM 0 HB3 MET A 1 0.568 -21.181 -12.249 1.00 5.85 H new ATOM 0 HG2 MET A 1 0.304 -19.955 -14.460 1.00 7.01 H new ATOM 0 HG3 MET A 1 1.896 -19.262 -14.223 1.00 7.01 H new ATOM 0 HE1 MET A 1 4.350 -22.079 -14.712 1.00 8.89 H new ATOM 0 HE2 MET A 1 4.027 -20.329 -14.738 1.00 8.89 H new ATOM 0 HE3 MET A 1 3.875 -21.240 -13.216 1.00 8.89 H new ATOM 18 N VAL A 2 0.480 -18.283 -9.623 1.00 3.34 N ATOM 19 CA VAL A 2 0.328 -18.365 -8.180 1.00 2.69 C ATOM 20 C VAL A 2 0.290 -16.951 -7.595 1.00 2.43 C ATOM 21 O VAL A 2 0.924 -16.040 -8.124 1.00 3.53 O ATOM 22 CB VAL A 2 1.442 -19.228 -7.585 1.00 3.49 C ATOM 23 CG1 VAL A 2 2.801 -18.537 -7.716 1.00 5.02 C ATOM 24 CG2 VAL A 2 1.143 -19.579 -6.126 1.00 3.60 C ATOM 0 H VAL A 2 0.885 -17.410 -9.960 1.00 3.34 H new ATOM 0 HA VAL A 2 -0.613 -18.850 -7.922 1.00 2.69 H new ATOM 0 HB VAL A 2 1.484 -20.158 -8.152 1.00 3.49 H new ATOM 0 HG11 VAL A 2 3.575 -19.172 -7.285 1.00 5.02 H new ATOM 0 HG12 VAL A 2 3.020 -18.362 -8.769 1.00 5.02 H new ATOM 0 HG13 VAL A 2 2.777 -17.584 -7.187 1.00 5.02 H new ATOM 0 HG21 VAL A 2 1.950 -20.193 -5.727 1.00 3.60 H new ATOM 0 HG22 VAL A 2 1.060 -18.663 -5.541 1.00 3.60 H new ATOM 0 HG23 VAL A 2 0.205 -20.131 -6.070 1.00 3.60 H new ATOM 34 N ASN A 3 -0.460 -16.814 -6.511 1.00 1.45 N ATOM 35 CA ASN A 3 -0.604 -15.523 -5.861 1.00 1.28 C ATOM 36 C ASN A 3 -0.649 -15.723 -4.344 1.00 1.13 C ATOM 37 O ASN A 3 -1.723 -15.724 -3.746 1.00 1.60 O ATOM 38 CB ASN A 3 -1.903 -14.835 -6.285 1.00 1.35 C ATOM 39 CG ASN A 3 -3.066 -15.828 -6.315 1.00 1.81 C ATOM 40 OD1 ASN A 3 -3.860 -15.924 -5.393 1.00 3.68 O ATOM 41 ND2 ASN A 3 -3.123 -16.561 -7.424 1.00 1.62 N ATOM 0 H ASN A 3 -0.974 -17.575 -6.067 1.00 1.45 H new ATOM 0 HA ASN A 3 0.244 -14.903 -6.151 1.00 1.28 H new ATOM 0 HB2 ASN A 3 -2.131 -14.024 -5.594 1.00 1.35 H new ATOM 0 HB3 ASN A 3 -1.777 -14.388 -7.271 1.00 1.35 H new ATOM 0 HD21 ASN A 3 -3.863 -17.253 -7.540 1.00 1.62 H new ATOM 0 HD22 ASN A 3 -2.427 -16.431 -8.158 1.00 1.62 H new ATOM 48 N PRO A 4 0.564 -15.894 -3.752 1.00 0.87 N ATOM 49 CA PRO A 4 0.671 -16.124 -2.321 1.00 0.98 C ATOM 50 C PRO A 4 0.430 -14.833 -1.537 1.00 0.79 C ATOM 51 O PRO A 4 0.839 -13.756 -1.967 1.00 1.44 O ATOM 52 CB PRO A 4 2.066 -16.692 -2.118 1.00 1.60 C ATOM 53 CG PRO A 4 2.851 -16.324 -3.366 1.00 1.76 C ATOM 54 CD PRO A 4 1.859 -15.871 -4.424 1.00 1.22 C ATOM 0 HA PRO A 4 -0.085 -16.816 -1.949 1.00 0.98 H new ATOM 0 HB2 PRO A 4 2.532 -16.274 -1.226 1.00 1.60 H new ATOM 0 HB3 PRO A 4 2.032 -17.773 -1.983 1.00 1.60 H new ATOM 0 HG2 PRO A 4 3.565 -15.530 -3.147 1.00 1.76 H new ATOM 0 HG3 PRO A 4 3.425 -17.180 -3.722 1.00 1.76 H new ATOM 0 HD2 PRO A 4 2.098 -14.872 -4.789 1.00 1.22 H new ATOM 0 HD3 PRO A 4 1.869 -16.537 -5.287 1.00 1.22 H new ATOM 62 N THR A 5 -0.233 -14.984 -0.400 1.00 0.87 N ATOM 63 CA THR A 5 -0.638 -13.831 0.388 1.00 0.73 C ATOM 64 C THR A 5 0.509 -13.372 1.289 1.00 0.62 C ATOM 65 O THR A 5 1.400 -14.156 1.615 1.00 0.65 O ATOM 66 CB THR A 5 -1.904 -14.209 1.160 1.00 1.09 C ATOM 67 OG1 THR A 5 -2.828 -14.593 0.146 1.00 1.21 O ATOM 68 CG2 THR A 5 -2.564 -13.000 1.828 1.00 1.47 C ATOM 0 H THR A 5 -0.500 -15.886 -0.005 1.00 0.87 H new ATOM 0 HA THR A 5 -0.870 -12.977 -0.249 1.00 0.73 H new ATOM 0 HB THR A 5 -1.659 -14.954 1.917 1.00 1.09 H new ATOM 0 HG1 THR A 5 -3.677 -14.855 0.559 1.00 1.21 H new ATOM 0 HG21 THR A 5 -3.458 -13.322 2.362 1.00 1.47 H new ATOM 0 HG22 THR A 5 -1.865 -12.546 2.530 1.00 1.47 H new ATOM 0 HG23 THR A 5 -2.840 -12.270 1.067 1.00 1.47 H new ATOM 76 N VAL A 6 0.451 -12.104 1.667 1.00 0.68 N ATOM 77 CA VAL A 6 1.326 -11.591 2.707 1.00 0.68 C ATOM 78 C VAL A 6 0.484 -10.902 3.782 1.00 0.76 C ATOM 79 O VAL A 6 -0.381 -10.085 3.469 1.00 1.37 O ATOM 80 CB VAL A 6 2.385 -10.672 2.096 1.00 0.79 C ATOM 81 CG1 VAL A 6 3.103 -11.360 0.932 1.00 1.16 C ATOM 82 CG2 VAL A 6 1.768 -9.345 1.651 1.00 1.30 C ATOM 0 H VAL A 6 -0.189 -11.416 1.271 1.00 0.68 H new ATOM 0 HA VAL A 6 1.864 -12.407 3.189 1.00 0.68 H new ATOM 0 HB VAL A 6 3.126 -10.456 2.866 1.00 0.79 H new ATOM 0 HG11 VAL A 6 3.851 -10.685 0.516 1.00 1.16 H new ATOM 0 HG12 VAL A 6 3.592 -12.266 1.290 1.00 1.16 H new ATOM 0 HG13 VAL A 6 2.379 -11.620 0.160 1.00 1.16 H new ATOM 0 HG21 VAL A 6 2.542 -8.710 1.220 1.00 1.30 H new ATOM 0 HG22 VAL A 6 0.997 -9.535 0.904 1.00 1.30 H new ATOM 0 HG23 VAL A 6 1.324 -8.843 2.511 1.00 1.30 H new ATOM 92 N PHE A 7 0.767 -11.254 5.027 1.00 0.67 N ATOM 93 CA PHE A 7 -0.037 -10.779 6.141 1.00 0.76 C ATOM 94 C PHE A 7 0.519 -9.467 6.697 1.00 0.55 C ATOM 95 O PHE A 7 1.734 -9.273 6.742 1.00 0.61 O ATOM 96 CB PHE A 7 0.031 -11.851 7.231 1.00 1.08 C ATOM 97 CG PHE A 7 1.405 -11.985 7.889 1.00 1.05 C ATOM 98 CD1 PHE A 7 1.788 -11.102 8.850 1.00 2.02 C ATOM 99 CD2 PHE A 7 2.245 -12.986 7.512 1.00 2.35 C ATOM 100 CE1 PHE A 7 3.064 -11.227 9.460 1.00 2.36 C ATOM 101 CE2 PHE A 7 3.521 -13.110 8.122 1.00 2.76 C ATOM 102 CZ PHE A 7 3.903 -12.228 9.083 1.00 2.14 C ATOM 0 H PHE A 7 1.542 -11.863 5.290 1.00 0.67 H new ATOM 0 HA PHE A 7 -1.060 -10.599 5.812 1.00 0.76 H new ATOM 0 HB2 PHE A 7 -0.707 -11.620 7.999 1.00 1.08 H new ATOM 0 HB3 PHE A 7 -0.248 -12.812 6.799 1.00 1.08 H new ATOM 0 HD1 PHE A 7 1.122 -10.306 9.149 1.00 2.02 H new ATOM 0 HD2 PHE A 7 1.941 -13.687 6.748 1.00 2.35 H new ATOM 0 HE1 PHE A 7 3.368 -10.527 10.224 1.00 2.36 H new ATOM 0 HE2 PHE A 7 4.188 -13.905 7.823 1.00 2.76 H new ATOM 0 HZ PHE A 7 4.874 -12.322 9.547 1.00 2.14 H new ATOM 112 N PHE A 8 -0.395 -8.601 7.109 1.00 0.63 N ATOM 113 CA PHE A 8 -0.010 -7.314 7.663 1.00 0.73 C ATOM 114 C PHE A 8 -0.868 -6.963 8.881 1.00 0.67 C ATOM 115 O PHE A 8 -2.067 -6.722 8.753 1.00 0.76 O ATOM 116 CB PHE A 8 -0.247 -6.268 6.570 1.00 1.19 C ATOM 117 CG PHE A 8 1.009 -5.906 5.775 1.00 1.00 C ATOM 118 CD1 PHE A 8 1.529 -6.792 4.883 1.00 2.39 C ATOM 119 CD2 PHE A 8 1.605 -4.698 5.960 1.00 1.90 C ATOM 120 CE1 PHE A 8 2.694 -6.455 4.145 1.00 3.10 C ATOM 121 CE2 PHE A 8 2.771 -4.361 5.222 1.00 2.69 C ATOM 122 CZ PHE A 8 3.291 -5.246 4.329 1.00 2.89 C ATOM 0 H PHE A 8 -1.401 -8.765 7.070 1.00 0.63 H new ATOM 0 HA PHE A 8 1.032 -7.342 7.981 1.00 0.73 H new ATOM 0 HB2 PHE A 8 -1.005 -6.641 5.882 1.00 1.19 H new ATOM 0 HB3 PHE A 8 -0.649 -5.364 7.027 1.00 1.19 H new ATOM 0 HD1 PHE A 8 1.056 -7.752 4.736 1.00 2.39 H new ATOM 0 HD2 PHE A 8 1.192 -3.995 6.668 1.00 1.90 H new ATOM 0 HE1 PHE A 8 3.107 -7.159 3.437 1.00 3.10 H new ATOM 0 HE2 PHE A 8 3.245 -3.402 5.370 1.00 2.69 H new ATOM 0 HZ PHE A 8 4.177 -4.989 3.767 1.00 2.89 H new ATOM 132 N ASP A 9 -0.219 -6.946 10.036 1.00 0.69 N ATOM 133 CA ASP A 9 -0.924 -6.730 11.287 1.00 0.74 C ATOM 134 C ASP A 9 -0.845 -5.249 11.664 1.00 0.76 C ATOM 135 O ASP A 9 0.242 -4.673 11.706 1.00 0.82 O ATOM 136 CB ASP A 9 -0.294 -7.540 12.422 1.00 0.86 C ATOM 137 CG ASP A 9 -1.092 -7.553 13.728 1.00 1.29 C ATOM 138 OD1 ASP A 9 -1.314 -6.448 14.268 1.00 1.98 O ATOM 139 OD2 ASP A 9 -1.462 -8.668 14.156 1.00 2.35 O ATOM 0 H ASP A 9 0.788 -7.078 10.131 1.00 0.69 H new ATOM 0 HA ASP A 9 -1.958 -7.046 11.149 1.00 0.74 H new ATOM 0 HB2 ASP A 9 -0.162 -8.568 12.084 1.00 0.86 H new ATOM 0 HB3 ASP A 9 0.700 -7.141 12.625 1.00 0.86 H new ATOM 144 N ILE A 10 -2.009 -4.675 11.926 1.00 0.79 N ATOM 145 CA ILE A 10 -2.090 -3.261 12.250 1.00 0.84 C ATOM 146 C ILE A 10 -2.270 -3.097 13.760 1.00 0.96 C ATOM 147 O ILE A 10 -3.064 -3.808 14.376 1.00 1.05 O ATOM 148 CB ILE A 10 -3.185 -2.583 11.423 1.00 0.84 C ATOM 149 CG1 ILE A 10 -2.657 -2.170 10.048 1.00 0.77 C ATOM 150 CG2 ILE A 10 -3.794 -1.402 12.182 1.00 1.40 C ATOM 151 CD1 ILE A 10 -2.188 -3.388 9.252 1.00 1.07 C ATOM 0 H ILE A 10 -2.905 -5.163 11.921 1.00 0.79 H new ATOM 0 HA ILE A 10 -1.162 -2.756 11.983 1.00 0.84 H new ATOM 0 HB ILE A 10 -3.984 -3.305 11.257 1.00 0.84 H new ATOM 0 HG12 ILE A 10 -3.439 -1.649 9.496 1.00 0.77 H new ATOM 0 HG13 ILE A 10 -1.831 -1.469 10.167 1.00 0.77 H new ATOM 0 HG21 ILE A 10 -4.569 -0.938 11.572 1.00 1.40 H new ATOM 0 HG22 ILE A 10 -4.230 -1.756 13.116 1.00 1.40 H new ATOM 0 HG23 ILE A 10 -3.017 -0.669 12.399 1.00 1.40 H new ATOM 0 HD11 ILE A 10 -1.818 -3.066 8.279 1.00 1.07 H new ATOM 0 HD12 ILE A 10 -1.389 -3.892 9.796 1.00 1.07 H new ATOM 0 HD13 ILE A 10 -3.022 -4.075 9.113 1.00 1.07 H new ATOM 163 N ALA A 11 -1.520 -2.156 14.315 1.00 1.00 N ATOM 164 CA ALA A 11 -1.662 -1.817 15.721 1.00 1.12 C ATOM 165 C ALA A 11 -1.851 -0.305 15.861 1.00 1.06 C ATOM 166 O ALA A 11 -1.007 0.473 15.420 1.00 1.07 O ATOM 167 CB ALA A 11 -0.444 -2.327 16.494 1.00 1.30 C ATOM 0 H ALA A 11 -0.812 -1.618 13.816 1.00 1.00 H new ATOM 0 HA ALA A 11 -2.543 -2.299 16.145 1.00 1.12 H new ATOM 0 HB1 ALA A 11 -0.550 -2.073 17.549 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -0.372 -3.409 16.387 1.00 1.30 H new ATOM 0 HB3 ALA A 11 0.459 -1.862 16.098 1.00 1.30 H new ATOM 173 N VAL A 12 -2.964 0.065 16.478 1.00 1.04 N ATOM 174 CA VAL A 12 -3.284 1.469 16.663 1.00 1.02 C ATOM 175 C VAL A 12 -3.095 1.840 18.136 1.00 1.21 C ATOM 176 O VAL A 12 -3.943 1.528 18.971 1.00 1.34 O ATOM 177 CB VAL A 12 -4.696 1.757 16.150 1.00 0.99 C ATOM 178 CG1 VAL A 12 -5.036 3.244 16.283 1.00 1.05 C ATOM 179 CG2 VAL A 12 -4.861 1.283 14.705 1.00 0.89 C ATOM 0 H VAL A 12 -3.655 -0.584 16.856 1.00 1.04 H new ATOM 0 HA VAL A 12 -2.608 2.095 16.080 1.00 1.02 H new ATOM 0 HB VAL A 12 -5.398 1.197 16.768 1.00 0.99 H new ATOM 0 HG11 VAL A 12 -6.045 3.421 15.911 1.00 1.05 H new ATOM 0 HG12 VAL A 12 -4.979 3.538 17.331 1.00 1.05 H new ATOM 0 HG13 VAL A 12 -4.327 3.833 15.702 1.00 1.05 H new ATOM 0 HG21 VAL A 12 -5.874 1.500 14.364 1.00 0.89 H new ATOM 0 HG22 VAL A 12 -4.145 1.802 14.068 1.00 0.89 H new ATOM 0 HG23 VAL A 12 -4.682 0.209 14.652 1.00 0.89 H new ATOM 189 N ASP A 13 -1.980 2.501 18.408 1.00 1.26 N ATOM 190 CA ASP A 13 -1.628 2.843 19.776 1.00 1.47 C ATOM 191 C ASP A 13 -1.829 1.617 20.670 1.00 1.64 C ATOM 192 O ASP A 13 -2.871 1.474 21.309 1.00 1.73 O ATOM 193 CB ASP A 13 -2.516 3.969 20.309 1.00 1.48 C ATOM 194 CG ASP A 13 -2.051 5.382 19.957 1.00 1.45 C ATOM 195 OD1 ASP A 13 -1.263 5.937 20.754 1.00 2.86 O ATOM 196 OD2 ASP A 13 -2.491 5.876 18.896 1.00 1.77 O ATOM 0 H ASP A 13 -1.308 2.809 17.705 1.00 1.26 H new ATOM 0 HA ASP A 13 -0.588 3.170 19.786 1.00 1.47 H new ATOM 0 HB2 ASP A 13 -3.526 3.829 19.923 1.00 1.48 H new ATOM 0 HB3 ASP A 13 -2.575 3.882 21.394 1.00 1.48 H new ATOM 201 N GLY A 14 -0.815 0.764 20.689 1.00 1.72 N ATOM 202 CA GLY A 14 -0.820 -0.385 21.577 1.00 1.93 C ATOM 203 C GLY A 14 -2.179 -1.086 21.560 1.00 1.91 C ATOM 204 O GLY A 14 -2.723 -1.418 22.612 1.00 2.11 O ATOM 0 H GLY A 14 0.016 0.846 20.103 1.00 1.72 H new ATOM 0 HA2 GLY A 14 -0.042 -1.086 21.275 1.00 1.93 H new ATOM 0 HA3 GLY A 14 -0.585 -0.065 22.592 1.00 1.93 H new ATOM 208 N GLU A 15 -2.689 -1.290 20.353 1.00 1.72 N ATOM 209 CA GLU A 15 -3.945 -2.000 20.182 1.00 1.73 C ATOM 210 C GLU A 15 -3.997 -2.662 18.804 1.00 1.55 C ATOM 211 O GLU A 15 -4.208 -1.990 17.796 1.00 1.55 O ATOM 212 CB GLU A 15 -5.137 -1.062 20.385 1.00 1.76 C ATOM 213 CG GLU A 15 -6.432 -1.856 20.572 1.00 1.96 C ATOM 214 CD GLU A 15 -7.627 -0.918 20.757 1.00 2.89 C ATOM 215 OE1 GLU A 15 -7.892 -0.143 19.813 1.00 4.18 O ATOM 216 OE2 GLU A 15 -8.249 -0.997 21.839 1.00 3.32 O ATOM 0 H GLU A 15 -2.255 -0.976 19.485 1.00 1.72 H new ATOM 0 HA GLU A 15 -4.005 -2.780 20.941 1.00 1.73 H new ATOM 0 HB2 GLU A 15 -4.964 -0.431 21.257 1.00 1.76 H new ATOM 0 HB3 GLU A 15 -5.233 -0.399 19.525 1.00 1.76 H new ATOM 0 HG2 GLU A 15 -6.598 -2.497 19.706 1.00 1.96 H new ATOM 0 HG3 GLU A 15 -6.340 -2.510 21.439 1.00 1.96 H new ATOM 223 N PRO A 16 -3.794 -4.007 18.804 1.00 1.40 N ATOM 224 CA PRO A 16 -3.815 -4.768 17.567 1.00 1.25 C ATOM 225 C PRO A 16 -5.247 -4.949 17.059 1.00 1.31 C ATOM 226 O PRO A 16 -6.060 -5.609 17.706 1.00 1.37 O ATOM 227 CB PRO A 16 -3.133 -6.084 17.901 1.00 1.14 C ATOM 228 CG PRO A 16 -3.171 -6.199 19.417 1.00 1.24 C ATOM 229 CD PRO A 16 -3.540 -4.836 19.979 1.00 1.40 C ATOM 0 HA PRO A 16 -3.295 -4.262 16.754 1.00 1.25 H new ATOM 0 HB2 PRO A 16 -3.650 -6.922 17.433 1.00 1.14 H new ATOM 0 HB3 PRO A 16 -2.107 -6.097 17.534 1.00 1.14 H new ATOM 0 HG2 PRO A 16 -3.900 -6.949 19.725 1.00 1.24 H new ATOM 0 HG3 PRO A 16 -2.202 -6.520 19.800 1.00 1.24 H new ATOM 0 HD2 PRO A 16 -4.420 -4.897 20.619 1.00 1.40 H new ATOM 0 HD3 PRO A 16 -2.733 -4.426 20.586 1.00 1.40 H new ATOM 237 N LEU A 17 -5.513 -4.351 15.907 1.00 1.33 N ATOM 238 CA LEU A 17 -6.826 -4.460 15.293 1.00 1.47 C ATOM 239 C LEU A 17 -6.988 -5.859 14.693 1.00 1.38 C ATOM 240 O LEU A 17 -8.029 -6.492 14.861 1.00 1.54 O ATOM 241 CB LEU A 17 -7.041 -3.330 14.285 1.00 1.58 C ATOM 242 CG LEU A 17 -7.528 -2.000 14.863 1.00 0.82 C ATOM 243 CD1 LEU A 17 -8.940 -2.134 15.436 1.00 1.17 C ATOM 244 CD2 LEU A 17 -6.539 -1.457 15.898 1.00 2.10 C ATOM 0 H LEU A 17 -4.842 -3.790 15.383 1.00 1.33 H new ATOM 0 HA LEU A 17 -7.609 -4.341 16.042 1.00 1.47 H new ATOM 0 HB2 LEU A 17 -6.102 -3.154 13.761 1.00 1.58 H new ATOM 0 HB3 LEU A 17 -7.763 -3.666 13.541 1.00 1.58 H new ATOM 0 HG LEU A 17 -7.578 -1.274 14.052 1.00 0.82 H new ATOM 0 HD11 LEU A 17 -9.261 -1.174 15.840 1.00 1.17 H new ATOM 0 HD12 LEU A 17 -9.625 -2.443 14.647 1.00 1.17 H new ATOM 0 HD13 LEU A 17 -8.941 -2.881 16.230 1.00 1.17 H new ATOM 0 HD21 LEU A 17 -6.909 -0.511 16.293 1.00 2.10 H new ATOM 0 HD22 LEU A 17 -6.434 -2.174 16.712 1.00 2.10 H new ATOM 0 HD23 LEU A 17 -5.569 -1.299 15.426 1.00 2.10 H new ATOM 256 N GLY A 18 -5.946 -6.298 14.005 1.00 1.18 N ATOM 257 CA GLY A 18 -5.981 -7.585 13.331 1.00 1.18 C ATOM 258 C GLY A 18 -5.074 -7.584 12.098 1.00 1.00 C ATOM 259 O GLY A 18 -4.275 -6.667 11.912 1.00 0.91 O ATOM 0 H GLY A 18 -5.071 -5.785 13.899 1.00 1.18 H new ATOM 0 HA2 GLY A 18 -5.664 -8.369 14.019 1.00 1.18 H new ATOM 0 HA3 GLY A 18 -7.004 -7.816 13.034 1.00 1.18 H new ATOM 263 N ARG A 19 -5.228 -8.620 11.288 1.00 1.08 N ATOM 264 CA ARG A 19 -4.381 -8.791 10.121 1.00 1.02 C ATOM 265 C ARG A 19 -5.199 -8.613 8.841 1.00 0.96 C ATOM 266 O ARG A 19 -6.222 -9.271 8.657 1.00 1.21 O ATOM 267 CB ARG A 19 -3.727 -10.174 10.112 1.00 1.22 C ATOM 268 CG ARG A 19 -2.399 -10.157 10.872 1.00 1.12 C ATOM 269 CD ARG A 19 -2.027 -11.561 11.357 1.00 1.86 C ATOM 270 NE ARG A 19 -1.307 -11.476 12.647 1.00 2.58 N ATOM 271 CZ ARG A 19 -0.013 -11.150 12.765 1.00 3.59 C ATOM 272 NH1 ARG A 19 0.864 -11.539 11.829 1.00 4.36 N ATOM 273 NH2 ARG A 19 0.405 -10.436 13.819 1.00 4.63 N ATOM 0 H ARG A 19 -5.928 -9.351 11.417 1.00 1.08 H new ATOM 0 HA ARG A 19 -3.599 -8.033 10.165 1.00 1.02 H new ATOM 0 HB2 ARG A 19 -4.400 -10.902 10.565 1.00 1.22 H new ATOM 0 HB3 ARG A 19 -3.558 -10.494 9.084 1.00 1.22 H new ATOM 0 HG2 ARG A 19 -1.611 -9.771 10.226 1.00 1.12 H new ATOM 0 HG3 ARG A 19 -2.472 -9.481 11.724 1.00 1.12 H new ATOM 0 HD2 ARG A 19 -2.927 -12.165 11.472 1.00 1.86 H new ATOM 0 HD3 ARG A 19 -1.403 -12.058 10.614 1.00 1.86 H new ATOM 0 HE ARG A 19 -1.829 -11.678 13.500 1.00 2.58 H new ATOM 0 HH11 ARG A 19 0.546 -12.083 11.027 1.00 4.36 H new ATOM 0 HH12 ARG A 19 1.849 -11.291 11.919 1.00 4.36 H new ATOM 0 HH21 ARG A 19 -0.262 -10.141 14.532 1.00 4.63 H new ATOM 0 HH22 ARG A 19 1.390 -10.188 13.909 1.00 4.63 H new ATOM 287 N VAL A 20 -4.718 -7.721 7.987 1.00 0.89 N ATOM 288 CA VAL A 20 -5.427 -7.399 6.760 1.00 0.94 C ATOM 289 C VAL A 20 -5.064 -8.424 5.684 1.00 1.23 C ATOM 290 O VAL A 20 -5.915 -9.199 5.248 1.00 3.01 O ATOM 291 CB VAL A 20 -5.122 -5.959 6.341 1.00 0.86 C ATOM 292 CG1 VAL A 20 -5.844 -5.603 5.040 1.00 0.95 C ATOM 293 CG2 VAL A 20 -5.485 -4.976 7.456 1.00 0.87 C ATOM 0 H VAL A 20 -3.845 -7.211 8.121 1.00 0.89 H new ATOM 0 HA VAL A 20 -6.504 -7.456 6.915 1.00 0.94 H new ATOM 0 HB VAL A 20 -4.050 -5.881 6.161 1.00 0.86 H new ATOM 0 HG11 VAL A 20 -5.611 -4.575 4.764 1.00 0.95 H new ATOM 0 HG12 VAL A 20 -5.517 -6.275 4.247 1.00 0.95 H new ATOM 0 HG13 VAL A 20 -6.920 -5.706 5.181 1.00 0.95 H new ATOM 0 HG21 VAL A 20 -5.259 -3.960 7.133 1.00 0.87 H new ATOM 0 HG22 VAL A 20 -6.549 -5.057 7.680 1.00 0.87 H new ATOM 0 HG23 VAL A 20 -4.907 -5.210 8.350 1.00 0.87 H new ATOM 303 N SER A 21 -3.800 -8.396 5.287 1.00 1.21 N ATOM 304 CA SER A 21 -3.269 -9.422 4.406 1.00 1.11 C ATOM 305 C SER A 21 -3.682 -9.136 2.961 1.00 0.93 C ATOM 306 O SER A 21 -4.844 -8.830 2.693 1.00 0.82 O ATOM 307 CB SER A 21 -3.747 -10.813 4.830 1.00 1.20 C ATOM 308 OG SER A 21 -3.870 -10.928 6.244 1.00 2.11 O ATOM 0 H SER A 21 -3.128 -7.679 5.560 1.00 1.21 H new ATOM 0 HA SER A 21 -2.181 -9.404 4.476 1.00 1.11 H new ATOM 0 HB2 SER A 21 -4.710 -11.023 4.364 1.00 1.20 H new ATOM 0 HB3 SER A 21 -3.046 -11.564 4.465 1.00 1.20 H new ATOM 0 HG SER A 21 -4.179 -11.829 6.473 1.00 2.11 H new ATOM 314 N PHE A 22 -2.711 -9.246 2.068 1.00 0.98 N ATOM 315 CA PHE A 22 -2.962 -9.020 0.655 1.00 0.84 C ATOM 316 C PHE A 22 -2.585 -10.250 -0.173 1.00 0.75 C ATOM 317 O PHE A 22 -1.514 -10.824 0.014 1.00 1.02 O ATOM 318 CB PHE A 22 -2.084 -7.843 0.227 1.00 0.91 C ATOM 319 CG PHE A 22 -1.988 -6.727 1.269 1.00 1.11 C ATOM 320 CD1 PHE A 22 -3.119 -6.130 1.732 1.00 1.31 C ATOM 321 CD2 PHE A 22 -0.772 -6.331 1.732 1.00 2.49 C ATOM 322 CE1 PHE A 22 -3.030 -5.094 2.700 1.00 1.41 C ATOM 323 CE2 PHE A 22 -0.683 -5.295 2.699 1.00 2.74 C ATOM 324 CZ PHE A 22 -1.814 -4.698 3.162 1.00 1.68 C ATOM 0 H PHE A 22 -1.747 -9.489 2.296 1.00 0.98 H new ATOM 0 HA PHE A 22 -4.021 -8.817 0.493 1.00 0.84 H new ATOM 0 HB2 PHE A 22 -1.081 -8.211 0.010 1.00 0.91 H new ATOM 0 HB3 PHE A 22 -2.478 -7.427 -0.700 1.00 0.91 H new ATOM 0 HD1 PHE A 22 -4.085 -6.444 1.364 1.00 1.31 H new ATOM 0 HD2 PHE A 22 0.126 -6.805 1.364 1.00 2.49 H new ATOM 0 HE1 PHE A 22 -3.928 -4.621 3.069 1.00 1.41 H new ATOM 0 HE2 PHE A 22 0.283 -4.981 3.067 1.00 2.74 H new ATOM 0 HZ PHE A 22 -1.746 -3.909 3.897 1.00 1.68 H new ATOM 334 N GLU A 23 -3.487 -10.618 -1.071 1.00 0.53 N ATOM 335 CA GLU A 23 -3.307 -11.826 -1.859 1.00 0.58 C ATOM 336 C GLU A 23 -2.047 -11.716 -2.719 1.00 1.26 C ATOM 337 O GLU A 23 -1.516 -12.726 -3.180 1.00 3.20 O ATOM 338 CB GLU A 23 -4.539 -12.104 -2.724 1.00 0.67 C ATOM 339 CG GLU A 23 -5.769 -12.377 -1.856 1.00 1.27 C ATOM 340 CD GLU A 23 -7.014 -11.708 -2.441 1.00 1.90 C ATOM 341 OE1 GLU A 23 -7.642 -12.343 -3.316 1.00 1.97 O ATOM 342 OE2 GLU A 23 -7.310 -10.576 -2.001 1.00 3.64 O ATOM 0 H GLU A 23 -4.344 -10.102 -1.270 1.00 0.53 H new ATOM 0 HA GLU A 23 -3.185 -12.667 -1.177 1.00 0.58 H new ATOM 0 HB2 GLU A 23 -4.731 -11.251 -3.375 1.00 0.67 H new ATOM 0 HB3 GLU A 23 -4.348 -12.961 -3.370 1.00 0.67 H new ATOM 0 HG2 GLU A 23 -5.932 -13.452 -1.779 1.00 1.27 H new ATOM 0 HG3 GLU A 23 -5.594 -12.007 -0.846 1.00 1.27 H new ATOM 349 N LEU A 24 -1.604 -10.482 -2.909 1.00 1.36 N ATOM 350 CA LEU A 24 -0.546 -10.206 -3.867 1.00 1.33 C ATOM 351 C LEU A 24 -0.797 -11.010 -5.143 1.00 1.32 C ATOM 352 O LEU A 24 -0.362 -12.155 -5.256 1.00 1.54 O ATOM 353 CB LEU A 24 0.825 -10.463 -3.238 1.00 1.41 C ATOM 354 CG LEU A 24 1.698 -9.228 -3.007 1.00 1.33 C ATOM 355 CD1 LEU A 24 1.083 -8.312 -1.946 1.00 2.10 C ATOM 356 CD2 LEU A 24 3.133 -9.628 -2.656 1.00 2.81 C ATOM 0 H LEU A 24 -1.958 -9.662 -2.416 1.00 1.36 H new ATOM 0 HA LEU A 24 -0.551 -9.153 -4.148 1.00 1.33 H new ATOM 0 HB2 LEU A 24 0.676 -10.962 -2.281 1.00 1.41 H new ATOM 0 HB3 LEU A 24 1.372 -11.156 -3.877 1.00 1.41 H new ATOM 0 HG LEU A 24 1.740 -8.661 -3.937 1.00 1.33 H new ATOM 0 HD11 LEU A 24 1.723 -7.442 -1.801 1.00 2.10 H new ATOM 0 HD12 LEU A 24 0.096 -7.986 -2.275 1.00 2.10 H new ATOM 0 HD13 LEU A 24 0.991 -8.855 -1.006 1.00 2.10 H new ATOM 0 HD21 LEU A 24 3.732 -8.731 -2.497 1.00 2.81 H new ATOM 0 HD22 LEU A 24 3.131 -10.229 -1.747 1.00 2.81 H new ATOM 0 HD23 LEU A 24 3.559 -10.209 -3.474 1.00 2.81 H new ATOM 368 N PHE A 25 -1.499 -10.379 -6.074 1.00 1.33 N ATOM 369 CA PHE A 25 -1.755 -10.995 -7.364 1.00 1.35 C ATOM 370 C PHE A 25 -0.481 -11.046 -8.211 1.00 1.32 C ATOM 371 O PHE A 25 -0.337 -10.290 -9.171 1.00 1.42 O ATOM 372 CB PHE A 25 -2.791 -10.125 -8.077 1.00 1.44 C ATOM 373 CG PHE A 25 -4.240 -10.522 -7.791 1.00 1.12 C ATOM 374 CD1 PHE A 25 -4.667 -10.662 -6.507 1.00 2.30 C ATOM 375 CD2 PHE A 25 -5.103 -10.738 -8.821 1.00 1.41 C ATOM 376 CE1 PHE A 25 -6.012 -11.030 -6.241 1.00 2.25 C ATOM 377 CE2 PHE A 25 -6.449 -11.106 -8.555 1.00 1.58 C ATOM 378 CZ PHE A 25 -6.874 -11.245 -7.271 1.00 1.23 C ATOM 0 H PHE A 25 -1.898 -9.447 -5.960 1.00 1.33 H new ATOM 0 HA PHE A 25 -2.108 -12.017 -7.224 1.00 1.35 H new ATOM 0 HB2 PHE A 25 -2.644 -9.087 -7.780 1.00 1.44 H new ATOM 0 HB3 PHE A 25 -2.616 -10.177 -9.152 1.00 1.44 H new ATOM 0 HD1 PHE A 25 -3.982 -10.493 -5.689 1.00 2.30 H new ATOM 0 HD2 PHE A 25 -4.764 -10.630 -9.841 1.00 1.41 H new ATOM 0 HE1 PHE A 25 -6.351 -11.139 -5.221 1.00 2.25 H new ATOM 0 HE2 PHE A 25 -7.134 -11.275 -9.372 1.00 1.58 H new ATOM 0 HZ PHE A 25 -7.897 -11.526 -7.069 1.00 1.23 H new ATOM 388 N ALA A 26 0.412 -11.945 -7.824 1.00 1.22 N ATOM 389 CA ALA A 26 1.674 -12.098 -8.529 1.00 1.19 C ATOM 390 C ALA A 26 1.429 -12.832 -9.849 1.00 1.23 C ATOM 391 O ALA A 26 2.245 -12.754 -10.766 1.00 1.30 O ATOM 392 CB ALA A 26 2.674 -12.830 -7.632 1.00 1.24 C ATOM 0 H ALA A 26 0.287 -12.575 -7.032 1.00 1.22 H new ATOM 0 HA ALA A 26 2.102 -11.124 -8.767 1.00 1.19 H new ATOM 0 HB1 ALA A 26 3.620 -12.945 -8.160 1.00 1.24 H new ATOM 0 HB2 ALA A 26 2.835 -12.254 -6.721 1.00 1.24 H new ATOM 0 HB3 ALA A 26 2.280 -13.813 -7.375 1.00 1.24 H new ATOM 398 N ASP A 27 0.302 -13.526 -9.904 1.00 1.33 N ATOM 399 CA ASP A 27 -0.055 -14.282 -11.092 1.00 1.41 C ATOM 400 C ASP A 27 -0.162 -13.328 -12.284 1.00 1.38 C ATOM 401 O ASP A 27 0.196 -13.687 -13.405 1.00 1.55 O ATOM 402 CB ASP A 27 -1.407 -14.975 -10.918 1.00 1.60 C ATOM 403 CG ASP A 27 -1.918 -15.715 -12.157 1.00 1.79 C ATOM 404 OD1 ASP A 27 -1.076 -16.354 -12.823 1.00 1.90 O ATOM 405 OD2 ASP A 27 -3.139 -15.625 -12.408 1.00 2.76 O ATOM 0 H ASP A 27 -0.376 -13.581 -9.144 1.00 1.33 H new ATOM 0 HA ASP A 27 0.716 -15.034 -11.258 1.00 1.41 H new ATOM 0 HB2 ASP A 27 -1.331 -15.685 -10.095 1.00 1.60 H new ATOM 0 HB3 ASP A 27 -2.147 -14.229 -10.628 1.00 1.60 H new ATOM 410 N LYS A 28 -0.656 -12.132 -12.002 1.00 1.51 N ATOM 411 CA LYS A 28 -0.895 -11.154 -13.050 1.00 1.55 C ATOM 412 C LYS A 28 0.367 -10.314 -13.256 1.00 1.22 C ATOM 413 O LYS A 28 0.776 -10.070 -14.390 1.00 1.23 O ATOM 414 CB LYS A 28 -2.142 -10.325 -12.734 1.00 1.82 C ATOM 415 CG LYS A 28 -3.404 -11.009 -13.263 1.00 1.64 C ATOM 416 CD LYS A 28 -3.652 -12.336 -12.542 1.00 2.42 C ATOM 417 CE LYS A 28 -5.086 -12.820 -12.765 1.00 2.64 C ATOM 418 NZ LYS A 28 -5.266 -14.178 -12.204 1.00 3.94 N ATOM 0 H LYS A 28 -0.898 -11.817 -11.062 1.00 1.51 H new ATOM 0 HA LYS A 28 -1.103 -11.653 -13.997 1.00 1.55 H new ATOM 0 HB2 LYS A 28 -2.225 -10.183 -11.656 1.00 1.82 H new ATOM 0 HB3 LYS A 28 -2.047 -9.335 -13.179 1.00 1.82 H new ATOM 0 HG2 LYS A 28 -4.263 -10.351 -13.127 1.00 1.64 H new ATOM 0 HG3 LYS A 28 -3.304 -11.186 -14.334 1.00 1.64 H new ATOM 0 HD2 LYS A 28 -2.950 -13.087 -12.904 1.00 2.42 H new ATOM 0 HD3 LYS A 28 -3.467 -12.214 -11.475 1.00 2.42 H new ATOM 0 HE2 LYS A 28 -5.787 -12.130 -12.295 1.00 2.64 H new ATOM 0 HE3 LYS A 28 -5.312 -12.827 -13.831 1.00 2.64 H new ATOM 0 HZ1 LYS A 28 -6.198 -14.547 -12.480 1.00 3.94 H new ATOM 0 HZ2 LYS A 28 -4.523 -14.806 -12.570 1.00 3.94 H new ATOM 0 HZ3 LYS A 28 -5.204 -14.136 -11.167 1.00 3.94 H new ATOM 432 N VAL A 29 0.948 -9.895 -12.142 1.00 1.08 N ATOM 433 CA VAL A 29 2.114 -9.027 -12.187 1.00 0.86 C ATOM 434 C VAL A 29 3.138 -9.503 -11.154 1.00 0.88 C ATOM 435 O VAL A 29 3.187 -8.985 -10.040 1.00 0.89 O ATOM 436 CB VAL A 29 1.690 -7.571 -11.982 1.00 0.79 C ATOM 437 CG1 VAL A 29 1.175 -6.961 -13.287 1.00 0.80 C ATOM 438 CG2 VAL A 29 0.643 -7.456 -10.872 1.00 1.10 C ATOM 0 H VAL A 29 0.634 -10.140 -11.203 1.00 1.08 H new ATOM 0 HA VAL A 29 2.591 -9.078 -13.166 1.00 0.86 H new ATOM 0 HB VAL A 29 2.569 -7.006 -11.673 1.00 0.79 H new ATOM 0 HG11 VAL A 29 0.880 -5.926 -13.113 1.00 0.80 H new ATOM 0 HG12 VAL A 29 1.963 -6.993 -14.039 1.00 0.80 H new ATOM 0 HG13 VAL A 29 0.314 -7.529 -13.639 1.00 0.80 H new ATOM 0 HG21 VAL A 29 0.359 -6.411 -10.747 1.00 1.10 H new ATOM 0 HG22 VAL A 29 -0.237 -8.042 -11.139 1.00 1.10 H new ATOM 0 HG23 VAL A 29 1.060 -7.833 -9.938 1.00 1.10 H new ATOM 448 N PRO A 30 3.951 -10.509 -11.573 1.00 1.01 N ATOM 449 CA PRO A 30 4.938 -11.094 -10.681 1.00 1.14 C ATOM 450 C PRO A 30 6.134 -10.158 -10.496 1.00 1.21 C ATOM 451 O PRO A 30 6.753 -10.139 -9.434 1.00 2.36 O ATOM 452 CB PRO A 30 5.314 -12.419 -11.325 1.00 1.35 C ATOM 453 CG PRO A 30 4.878 -12.315 -12.777 1.00 1.35 C ATOM 454 CD PRO A 30 3.953 -11.115 -12.901 1.00 1.13 C ATOM 0 HA PRO A 30 4.553 -11.251 -9.673 1.00 1.14 H new ATOM 0 HB2 PRO A 30 6.387 -12.599 -11.251 1.00 1.35 H new ATOM 0 HB3 PRO A 30 4.816 -13.251 -10.826 1.00 1.35 H new ATOM 0 HG2 PRO A 30 5.744 -12.198 -13.428 1.00 1.35 H new ATOM 0 HG3 PRO A 30 4.366 -13.226 -13.088 1.00 1.35 H new ATOM 0 HD2 PRO A 30 4.312 -10.415 -13.655 1.00 1.13 H new ATOM 0 HD3 PRO A 30 2.949 -11.418 -13.199 1.00 1.13 H new ATOM 462 N LYS A 31 6.422 -9.404 -11.546 1.00 0.92 N ATOM 463 CA LYS A 31 7.590 -8.539 -11.550 1.00 1.03 C ATOM 464 C LYS A 31 7.385 -7.409 -10.539 1.00 1.00 C ATOM 465 O LYS A 31 8.324 -7.007 -9.853 1.00 1.27 O ATOM 466 CB LYS A 31 7.889 -8.049 -12.968 1.00 1.20 C ATOM 467 CG LYS A 31 9.093 -8.786 -13.559 1.00 2.27 C ATOM 468 CD LYS A 31 10.301 -7.854 -13.683 1.00 2.27 C ATOM 469 CE LYS A 31 10.884 -7.528 -12.307 1.00 3.28 C ATOM 470 NZ LYS A 31 11.639 -8.684 -11.776 1.00 4.87 N ATOM 0 H LYS A 31 5.866 -9.374 -12.401 1.00 0.92 H new ATOM 0 HA LYS A 31 8.475 -9.092 -11.236 1.00 1.03 H new ATOM 0 HB2 LYS A 31 7.016 -8.204 -13.602 1.00 1.20 H new ATOM 0 HB3 LYS A 31 8.086 -6.977 -12.953 1.00 1.20 H new ATOM 0 HG2 LYS A 31 9.349 -9.637 -12.927 1.00 2.27 H new ATOM 0 HG3 LYS A 31 8.834 -9.184 -14.540 1.00 2.27 H new ATOM 0 HD2 LYS A 31 11.065 -8.323 -14.304 1.00 2.27 H new ATOM 0 HD3 LYS A 31 10.004 -6.933 -14.184 1.00 2.27 H new ATOM 0 HE2 LYS A 31 11.540 -6.660 -12.380 1.00 3.28 H new ATOM 0 HE3 LYS A 31 10.081 -7.264 -11.619 1.00 3.28 H new ATOM 0 HZ1 LYS A 31 12.511 -8.349 -11.319 1.00 4.87 H new ATOM 0 HZ2 LYS A 31 11.055 -9.189 -11.079 1.00 4.87 H new ATOM 0 HZ3 LYS A 31 11.882 -9.328 -12.556 1.00 4.87 H new ATOM 484 N THR A 32 6.152 -6.929 -10.478 1.00 0.81 N ATOM 485 CA THR A 32 5.808 -5.861 -9.553 1.00 0.86 C ATOM 486 C THR A 32 5.700 -6.407 -8.127 1.00 0.88 C ATOM 487 O THR A 32 6.155 -5.770 -7.179 1.00 1.11 O ATOM 488 CB THR A 32 4.522 -5.200 -10.050 1.00 0.82 C ATOM 489 OG1 THR A 32 4.782 -4.923 -11.424 1.00 0.98 O ATOM 490 CG2 THR A 32 4.295 -3.820 -9.429 1.00 0.84 C ATOM 0 H THR A 32 5.378 -7.260 -11.054 1.00 0.81 H new ATOM 0 HA THR A 32 6.588 -5.100 -9.519 1.00 0.86 H new ATOM 0 HB THR A 32 3.672 -5.844 -9.824 1.00 0.82 H new ATOM 0 HG1 THR A 32 4.075 -4.345 -11.781 1.00 0.98 H new ATOM 0 HG21 THR A 32 3.369 -3.395 -9.816 1.00 0.84 H new ATOM 0 HG22 THR A 32 4.226 -3.916 -8.345 1.00 0.84 H new ATOM 0 HG23 THR A 32 5.128 -3.165 -9.683 1.00 0.84 H new ATOM 498 N ALA A 33 5.093 -7.580 -8.022 1.00 0.76 N ATOM 499 CA ALA A 33 4.923 -8.221 -6.729 1.00 0.91 C ATOM 500 C ALA A 33 6.297 -8.587 -6.162 1.00 0.97 C ATOM 501 O ALA A 33 6.489 -8.597 -4.948 1.00 1.14 O ATOM 502 CB ALA A 33 4.011 -9.440 -6.878 1.00 0.91 C ATOM 0 H ALA A 33 4.713 -8.103 -8.811 1.00 0.76 H new ATOM 0 HA ALA A 33 4.445 -7.541 -6.024 1.00 0.91 H new ATOM 0 HB1 ALA A 33 3.884 -9.920 -5.908 1.00 0.91 H new ATOM 0 HB2 ALA A 33 3.039 -9.123 -7.256 1.00 0.91 H new ATOM 0 HB3 ALA A 33 4.459 -10.147 -7.577 1.00 0.91 H new ATOM 508 N GLU A 34 7.217 -8.879 -7.070 1.00 0.95 N ATOM 509 CA GLU A 34 8.553 -9.292 -6.675 1.00 1.13 C ATOM 510 C GLU A 34 9.078 -8.389 -5.558 1.00 1.01 C ATOM 511 O GLU A 34 9.463 -8.872 -4.494 1.00 1.06 O ATOM 512 CB GLU A 34 9.504 -9.291 -7.873 1.00 1.39 C ATOM 513 CG GLU A 34 10.830 -9.969 -7.522 1.00 1.65 C ATOM 514 CD GLU A 34 11.790 -9.945 -8.714 1.00 3.19 C ATOM 515 OE1 GLU A 34 11.330 -10.296 -9.821 1.00 4.01 O ATOM 516 OE2 GLU A 34 12.963 -9.575 -8.489 1.00 4.20 O ATOM 0 H GLU A 34 7.064 -8.838 -8.078 1.00 0.95 H new ATOM 0 HA GLU A 34 8.500 -10.313 -6.296 1.00 1.13 H new ATOM 0 HB2 GLU A 34 9.038 -9.808 -8.712 1.00 1.39 H new ATOM 0 HB3 GLU A 34 9.689 -8.266 -8.194 1.00 1.39 H new ATOM 0 HG2 GLU A 34 11.287 -9.463 -6.672 1.00 1.65 H new ATOM 0 HG3 GLU A 34 10.647 -11.000 -7.219 1.00 1.65 H new ATOM 523 N ASN A 35 9.079 -7.094 -5.837 1.00 1.05 N ATOM 524 CA ASN A 35 9.596 -6.123 -4.887 1.00 1.16 C ATOM 525 C ASN A 35 8.930 -6.341 -3.528 1.00 1.33 C ATOM 526 O ASN A 35 9.598 -6.677 -2.552 1.00 2.14 O ATOM 527 CB ASN A 35 9.292 -4.694 -5.340 1.00 1.31 C ATOM 528 CG ASN A 35 10.425 -4.139 -6.206 1.00 2.04 C ATOM 529 OD1 ASN A 35 10.413 -4.579 -7.461 1.00 2.77 O flip ATOM 530 ND2 ASN A 35 11.256 -3.363 -5.763 1.00 2.96 N flip ATOM 0 H ASN A 35 8.730 -6.694 -6.708 1.00 1.05 H new ATOM 0 HA ASN A 35 10.676 -6.258 -4.821 1.00 1.16 H new ATOM 0 HB2 ASN A 35 8.359 -4.678 -5.903 1.00 1.31 H new ATOM 0 HB3 ASN A 35 9.150 -4.055 -4.468 1.00 1.31 H new ATOM 0 HD21 ASN A 35 11.207 -3.065 -4.789 1.00 2.96 H new ATOM 0 HD22 ASN A 35 11.999 -3.012 -6.367 1.00 2.96 H new ATOM 537 N PHE A 36 7.621 -6.141 -3.508 1.00 1.01 N ATOM 538 CA PHE A 36 6.882 -6.149 -2.257 1.00 1.11 C ATOM 539 C PHE A 36 6.997 -7.506 -1.561 1.00 0.99 C ATOM 540 O PHE A 36 6.930 -7.588 -0.335 1.00 1.01 O ATOM 541 CB PHE A 36 5.413 -5.889 -2.602 1.00 1.22 C ATOM 542 CG PHE A 36 5.153 -4.509 -3.209 1.00 2.49 C ATOM 543 CD1 PHE A 36 5.309 -3.391 -2.449 1.00 3.38 C ATOM 544 CD2 PHE A 36 4.765 -4.400 -4.508 1.00 3.90 C ATOM 545 CE1 PHE A 36 5.065 -2.111 -3.013 1.00 4.89 C ATOM 546 CE2 PHE A 36 4.522 -3.119 -5.071 1.00 5.59 C ATOM 547 CZ PHE A 36 4.677 -2.001 -4.311 1.00 5.84 C ATOM 0 H PHE A 36 7.053 -5.972 -4.338 1.00 1.01 H new ATOM 0 HA PHE A 36 7.282 -5.390 -1.584 1.00 1.11 H new ATOM 0 HB2 PHE A 36 5.074 -6.653 -3.302 1.00 1.22 H new ATOM 0 HB3 PHE A 36 4.813 -5.996 -1.698 1.00 1.22 H new ATOM 0 HD1 PHE A 36 5.618 -3.477 -1.418 1.00 3.38 H new ATOM 0 HD2 PHE A 36 4.642 -5.287 -5.111 1.00 3.90 H new ATOM 0 HE1 PHE A 36 5.188 -1.224 -2.410 1.00 4.89 H new ATOM 0 HE2 PHE A 36 4.214 -3.032 -6.103 1.00 5.59 H new ATOM 0 HZ PHE A 36 4.492 -1.027 -4.739 1.00 5.84 H new ATOM 557 N ARG A 37 7.168 -8.539 -2.373 1.00 1.06 N ATOM 558 CA ARG A 37 7.376 -9.878 -1.848 1.00 1.20 C ATOM 559 C ARG A 37 8.691 -9.943 -1.067 1.00 1.19 C ATOM 560 O ARG A 37 8.735 -10.476 0.041 1.00 1.20 O ATOM 561 CB ARG A 37 7.409 -10.912 -2.974 1.00 1.40 C ATOM 562 CG ARG A 37 7.600 -12.325 -2.417 1.00 1.62 C ATOM 563 CD ARG A 37 6.314 -12.835 -1.764 1.00 1.71 C ATOM 564 NE ARG A 37 5.240 -12.939 -2.776 1.00 2.82 N ATOM 565 CZ ARG A 37 3.945 -13.117 -2.482 1.00 3.98 C ATOM 566 NH1 ARG A 37 3.579 -13.436 -1.232 1.00 4.49 N ATOM 567 NH2 ARG A 37 3.015 -12.977 -3.436 1.00 5.33 N ATOM 0 H ARG A 37 7.167 -8.476 -3.391 1.00 1.06 H new ATOM 0 HA ARG A 37 6.542 -10.107 -1.184 1.00 1.20 H new ATOM 0 HB2 ARG A 37 6.481 -10.864 -3.543 1.00 1.40 H new ATOM 0 HB3 ARG A 37 8.219 -10.677 -3.664 1.00 1.40 H new ATOM 0 HG2 ARG A 37 7.896 -12.999 -3.220 1.00 1.62 H new ATOM 0 HG3 ARG A 37 8.408 -12.325 -1.686 1.00 1.62 H new ATOM 0 HD2 ARG A 37 6.490 -13.809 -1.307 1.00 1.71 H new ATOM 0 HD3 ARG A 37 6.009 -12.159 -0.966 1.00 1.71 H new ATOM 0 HE ARG A 37 5.502 -12.871 -3.759 1.00 2.82 H new ATOM 0 HH11 ARG A 37 4.286 -13.543 -0.505 1.00 4.49 H new ATOM 0 HH12 ARG A 37 2.593 -13.571 -1.008 1.00 4.49 H new ATOM 0 HH21 ARG A 37 3.293 -12.735 -4.387 1.00 5.33 H new ATOM 0 HH22 ARG A 37 2.029 -13.113 -3.211 1.00 5.33 H new ATOM 581 N ALA A 38 9.732 -9.393 -1.676 1.00 1.21 N ATOM 582 CA ALA A 38 11.033 -9.341 -1.033 1.00 1.21 C ATOM 583 C ALA A 38 10.943 -8.468 0.221 1.00 1.17 C ATOM 584 O ALA A 38 11.561 -8.773 1.240 1.00 1.23 O ATOM 585 CB ALA A 38 12.074 -8.823 -2.028 1.00 1.23 C ATOM 0 H ALA A 38 9.700 -8.980 -2.608 1.00 1.21 H new ATOM 0 HA ALA A 38 11.346 -10.337 -0.721 1.00 1.21 H new ATOM 0 HB1 ALA A 38 13.051 -8.784 -1.545 1.00 1.23 H new ATOM 0 HB2 ALA A 38 12.120 -9.492 -2.887 1.00 1.23 H new ATOM 0 HB3 ALA A 38 11.793 -7.824 -2.361 1.00 1.23 H new ATOM 591 N LEU A 39 10.169 -7.399 0.106 1.00 1.12 N ATOM 592 CA LEU A 39 10.028 -6.455 1.199 1.00 1.13 C ATOM 593 C LEU A 39 9.318 -7.138 2.370 1.00 1.27 C ATOM 594 O LEU A 39 9.649 -6.894 3.529 1.00 1.59 O ATOM 595 CB LEU A 39 9.334 -5.178 0.720 1.00 1.10 C ATOM 596 CG LEU A 39 10.081 -4.367 -0.342 1.00 1.05 C ATOM 597 CD1 LEU A 39 9.319 -3.086 -0.689 1.00 1.07 C ATOM 598 CD2 LEU A 39 11.517 -4.078 0.099 1.00 1.29 C ATOM 0 H LEU A 39 9.632 -7.166 -0.730 1.00 1.12 H new ATOM 0 HA LEU A 39 11.008 -6.142 1.559 1.00 1.13 H new ATOM 0 HB2 LEU A 39 8.356 -5.447 0.322 1.00 1.10 H new ATOM 0 HB3 LEU A 39 9.161 -4.536 1.584 1.00 1.10 H new ATOM 0 HG LEU A 39 10.138 -4.965 -1.252 1.00 1.05 H new ATOM 0 HD11 LEU A 39 9.871 -2.528 -1.446 1.00 1.07 H new ATOM 0 HD12 LEU A 39 8.332 -3.343 -1.075 1.00 1.07 H new ATOM 0 HD13 LEU A 39 9.210 -2.474 0.206 1.00 1.07 H new ATOM 0 HD21 LEU A 39 12.026 -3.501 -0.673 1.00 1.29 H new ATOM 0 HD22 LEU A 39 11.505 -3.509 1.029 1.00 1.29 H new ATOM 0 HD23 LEU A 39 12.046 -5.018 0.256 1.00 1.29 H new ATOM 610 N SER A 40 8.354 -7.979 2.026 1.00 1.13 N ATOM 611 CA SER A 40 7.525 -8.620 3.032 1.00 1.23 C ATOM 612 C SER A 40 8.399 -9.433 3.990 1.00 1.28 C ATOM 613 O SER A 40 8.388 -9.199 5.197 1.00 1.50 O ATOM 614 CB SER A 40 6.468 -9.517 2.386 1.00 1.37 C ATOM 615 OG SER A 40 5.701 -10.223 3.357 1.00 2.42 O ATOM 0 H SER A 40 8.128 -8.231 1.064 1.00 1.13 H new ATOM 0 HA SER A 40 7.007 -7.843 3.594 1.00 1.23 H new ATOM 0 HB2 SER A 40 5.804 -8.910 1.771 1.00 1.37 H new ATOM 0 HB3 SER A 40 6.955 -10.230 1.721 1.00 1.37 H new ATOM 0 HG SER A 40 5.273 -10.997 2.936 1.00 2.42 H new ATOM 621 N THR A 41 9.135 -10.373 3.414 1.00 1.32 N ATOM 622 CA THR A 41 9.995 -11.238 4.203 1.00 1.50 C ATOM 623 C THR A 41 11.292 -10.513 4.565 1.00 1.68 C ATOM 624 O THR A 41 11.924 -10.829 5.573 1.00 2.46 O ATOM 625 CB THR A 41 10.221 -12.529 3.413 1.00 1.64 C ATOM 626 OG1 THR A 41 9.091 -13.335 3.736 1.00 2.56 O ATOM 627 CG2 THR A 41 11.414 -13.333 3.933 1.00 2.54 C ATOM 0 H THR A 41 9.153 -10.554 2.410 1.00 1.32 H new ATOM 0 HA THR A 41 9.529 -11.499 5.153 1.00 1.50 H new ATOM 0 HB THR A 41 10.377 -12.289 2.361 1.00 1.64 H new ATOM 0 HG1 THR A 41 9.155 -14.192 3.265 1.00 2.56 H new ATOM 0 HG21 THR A 41 11.530 -14.239 3.338 1.00 2.54 H new ATOM 0 HG22 THR A 41 12.319 -12.731 3.857 1.00 2.54 H new ATOM 0 HG23 THR A 41 11.244 -13.603 4.975 1.00 2.54 H new ATOM 635 N GLY A 42 11.652 -9.554 3.724 1.00 1.47 N ATOM 636 CA GLY A 42 12.935 -8.885 3.856 1.00 1.81 C ATOM 637 C GLY A 42 13.883 -9.289 2.725 1.00 2.08 C ATOM 638 O GLY A 42 14.291 -8.450 1.923 1.00 2.87 O ATOM 0 H GLY A 42 11.077 -9.224 2.949 1.00 1.47 H new ATOM 0 HA2 GLY A 42 12.789 -7.805 3.844 1.00 1.81 H new ATOM 0 HA3 GLY A 42 13.383 -9.136 4.818 1.00 1.81 H new ATOM 642 N GLU A 43 14.205 -10.574 2.695 1.00 2.41 N ATOM 643 CA GLU A 43 15.073 -11.104 1.659 1.00 3.35 C ATOM 644 C GLU A 43 16.050 -10.027 1.182 1.00 2.98 C ATOM 645 O GLU A 43 15.980 -9.584 0.037 1.00 4.09 O ATOM 646 CB GLU A 43 14.256 -11.659 0.490 1.00 4.45 C ATOM 647 CG GLU A 43 13.332 -12.787 0.954 1.00 4.95 C ATOM 648 CD GLU A 43 12.734 -13.532 -0.240 1.00 6.52 C ATOM 649 OE1 GLU A 43 13.421 -14.449 -0.739 1.00 7.27 O ATOM 650 OE2 GLU A 43 11.602 -13.168 -0.627 1.00 7.46 O ATOM 0 H GLU A 43 13.880 -11.264 3.373 1.00 2.41 H new ATOM 0 HA GLU A 43 15.648 -11.928 2.081 1.00 3.35 H new ATOM 0 HB2 GLU A 43 13.664 -10.860 0.043 1.00 4.45 H new ATOM 0 HB3 GLU A 43 14.928 -12.029 -0.284 1.00 4.45 H new ATOM 0 HG2 GLU A 43 13.889 -13.484 1.580 1.00 4.95 H new ATOM 0 HG3 GLU A 43 12.531 -12.376 1.569 1.00 4.95 H new ATOM 657 N LYS A 44 16.938 -9.637 2.085 1.00 2.37 N ATOM 658 CA LYS A 44 18.033 -8.753 1.724 1.00 2.45 C ATOM 659 C LYS A 44 17.511 -7.319 1.620 1.00 2.23 C ATOM 660 O LYS A 44 18.172 -6.380 2.061 1.00 2.61 O ATOM 661 CB LYS A 44 18.726 -9.249 0.454 1.00 3.49 C ATOM 662 CG LYS A 44 19.816 -8.272 0.008 1.00 4.00 C ATOM 663 CD LYS A 44 19.754 -8.033 -1.502 1.00 3.80 C ATOM 664 CE LYS A 44 18.527 -7.197 -1.874 1.00 3.03 C ATOM 665 NZ LYS A 44 18.604 -6.765 -3.288 1.00 3.68 N ATOM 0 H LYS A 44 16.921 -9.917 3.066 1.00 2.37 H new ATOM 0 HA LYS A 44 18.799 -8.759 2.500 1.00 2.45 H new ATOM 0 HB2 LYS A 44 19.164 -10.231 0.634 1.00 3.49 H new ATOM 0 HB3 LYS A 44 17.992 -9.369 -0.342 1.00 3.49 H new ATOM 0 HG2 LYS A 44 19.698 -7.325 0.535 1.00 4.00 H new ATOM 0 HG3 LYS A 44 20.796 -8.667 0.277 1.00 4.00 H new ATOM 0 HD2 LYS A 44 20.659 -7.523 -1.831 1.00 3.80 H new ATOM 0 HD3 LYS A 44 19.719 -8.989 -2.024 1.00 3.80 H new ATOM 0 HE2 LYS A 44 17.620 -7.780 -1.715 1.00 3.03 H new ATOM 0 HE3 LYS A 44 18.463 -6.324 -1.224 1.00 3.03 H new ATOM 0 HZ1 LYS A 44 17.764 -6.199 -3.524 1.00 3.68 H new ATOM 0 HZ2 LYS A 44 19.460 -6.191 -3.429 1.00 3.68 H new ATOM 0 HZ3 LYS A 44 18.643 -7.601 -3.905 1.00 3.68 H new ATOM 679 N GLY A 45 16.329 -7.195 1.034 1.00 2.78 N ATOM 680 CA GLY A 45 15.833 -5.893 0.618 1.00 3.83 C ATOM 681 C GLY A 45 14.968 -5.261 1.710 1.00 3.49 C ATOM 682 O GLY A 45 13.963 -4.616 1.416 1.00 4.87 O ATOM 0 H GLY A 45 15.700 -7.974 0.837 1.00 2.78 H new ATOM 0 HA2 GLY A 45 16.672 -5.237 0.389 1.00 3.83 H new ATOM 0 HA3 GLY A 45 15.251 -5.997 -0.297 1.00 3.83 H new ATOM 686 N PHE A 46 15.391 -5.469 2.949 1.00 2.10 N ATOM 687 CA PHE A 46 14.746 -4.819 4.077 1.00 1.95 C ATOM 688 C PHE A 46 13.223 -4.916 3.970 1.00 1.56 C ATOM 689 O PHE A 46 12.702 -5.638 3.122 1.00 1.50 O ATOM 690 CB PHE A 46 15.156 -3.346 4.038 1.00 1.92 C ATOM 691 CG PHE A 46 14.858 -2.652 2.708 1.00 1.63 C ATOM 692 CD1 PHE A 46 13.614 -2.162 2.460 1.00 2.45 C ATOM 693 CD2 PHE A 46 15.836 -2.525 1.773 1.00 2.59 C ATOM 694 CE1 PHE A 46 13.337 -1.519 1.224 1.00 2.83 C ATOM 695 CE2 PHE A 46 15.560 -1.881 0.537 1.00 2.59 C ATOM 696 CZ PHE A 46 14.315 -1.392 0.290 1.00 2.15 C ATOM 0 H PHE A 46 16.171 -6.078 3.196 1.00 2.10 H new ATOM 0 HA PHE A 46 15.048 -5.301 5.007 1.00 1.95 H new ATOM 0 HB2 PHE A 46 14.639 -2.814 4.837 1.00 1.92 H new ATOM 0 HB3 PHE A 46 16.224 -3.271 4.244 1.00 1.92 H new ATOM 0 HD1 PHE A 46 12.836 -2.262 3.203 1.00 2.45 H new ATOM 0 HD2 PHE A 46 16.824 -2.914 1.970 1.00 2.59 H new ATOM 0 HE1 PHE A 46 12.349 -1.131 1.027 1.00 2.83 H new ATOM 0 HE2 PHE A 46 16.338 -1.780 -0.205 1.00 2.59 H new ATOM 0 HZ PHE A 46 14.104 -0.902 -0.649 1.00 2.15 H new ATOM 706 N GLY A 47 12.553 -4.179 4.843 1.00 1.57 N ATOM 707 CA GLY A 47 11.100 -4.194 4.876 1.00 1.45 C ATOM 708 C GLY A 47 10.559 -3.039 5.721 1.00 1.61 C ATOM 709 O GLY A 47 11.328 -2.288 6.318 1.00 2.63 O ATOM 0 H GLY A 47 12.989 -3.567 5.533 1.00 1.57 H new ATOM 0 HA2 GLY A 47 10.709 -4.121 3.861 1.00 1.45 H new ATOM 0 HA3 GLY A 47 10.752 -5.143 5.285 1.00 1.45 H new ATOM 713 N TYR A 48 9.238 -2.934 5.745 1.00 1.19 N ATOM 714 CA TYR A 48 8.586 -1.853 6.464 1.00 1.71 C ATOM 715 C TYR A 48 8.188 -2.294 7.874 1.00 1.17 C ATOM 716 O TYR A 48 7.003 -2.422 8.177 1.00 1.85 O ATOM 717 CB TYR A 48 7.321 -1.520 5.671 1.00 2.58 C ATOM 718 CG TYR A 48 7.583 -1.144 4.211 1.00 3.61 C ATOM 719 CD1 TYR A 48 8.845 -0.750 3.816 1.00 4.86 C ATOM 720 CD2 TYR A 48 6.557 -1.198 3.289 1.00 4.14 C ATOM 721 CE1 TYR A 48 9.092 -0.396 2.443 1.00 6.07 C ATOM 722 CE2 TYR A 48 6.803 -0.843 1.916 1.00 5.33 C ATOM 723 CZ TYR A 48 8.059 -0.459 1.560 1.00 6.05 C ATOM 724 OH TYR A 48 8.292 -0.124 0.262 1.00 7.34 O ATOM 0 H TYR A 48 8.602 -3.580 5.278 1.00 1.19 H new ATOM 0 HA TYR A 48 9.256 -0.998 6.560 1.00 1.71 H new ATOM 0 HB2 TYR A 48 6.650 -2.379 5.700 1.00 2.58 H new ATOM 0 HB3 TYR A 48 6.804 -0.695 6.161 1.00 2.58 H new ATOM 0 HD1 TYR A 48 9.648 -0.707 4.537 1.00 4.86 H new ATOM 0 HD2 TYR A 48 5.569 -1.507 3.598 1.00 4.14 H new ATOM 0 HE1 TYR A 48 10.076 -0.087 2.121 1.00 6.07 H new ATOM 0 HE2 TYR A 48 6.009 -0.881 1.185 1.00 5.33 H new ATOM 0 HH TYR A 48 7.482 0.270 -0.124 1.00 7.34 H new ATOM 734 N LYS A 49 9.202 -2.516 8.698 1.00 1.06 N ATOM 735 CA LYS A 49 8.971 -2.885 10.085 1.00 1.09 C ATOM 736 C LYS A 49 9.525 -1.790 10.998 1.00 1.59 C ATOM 737 O LYS A 49 10.724 -1.748 11.268 1.00 1.76 O ATOM 738 CB LYS A 49 9.547 -4.274 10.371 1.00 1.34 C ATOM 739 CG LYS A 49 9.474 -4.600 11.864 1.00 1.65 C ATOM 740 CD LYS A 49 8.060 -4.380 12.405 1.00 2.27 C ATOM 741 CE LYS A 49 7.878 -5.068 13.760 1.00 2.64 C ATOM 742 NZ LYS A 49 6.909 -4.321 14.594 1.00 3.64 N ATOM 0 H LYS A 49 10.184 -2.448 8.432 1.00 1.06 H new ATOM 0 HA LYS A 49 7.903 -2.959 10.288 1.00 1.09 H new ATOM 0 HB2 LYS A 49 8.996 -5.024 9.804 1.00 1.34 H new ATOM 0 HB3 LYS A 49 10.583 -4.318 10.036 1.00 1.34 H new ATOM 0 HG2 LYS A 49 9.773 -5.635 12.029 1.00 1.65 H new ATOM 0 HG3 LYS A 49 10.178 -3.974 12.411 1.00 1.65 H new ATOM 0 HD2 LYS A 49 7.868 -3.312 12.507 1.00 2.27 H new ATOM 0 HD3 LYS A 49 7.330 -4.769 11.695 1.00 2.27 H new ATOM 0 HE2 LYS A 49 7.528 -6.090 13.612 1.00 2.64 H new ATOM 0 HE3 LYS A 49 8.837 -5.131 14.274 1.00 2.64 H new ATOM 0 HZ1 LYS A 49 7.421 -3.771 15.313 1.00 3.64 H new ATOM 0 HZ2 LYS A 49 6.358 -3.676 13.992 1.00 3.64 H new ATOM 0 HZ3 LYS A 49 6.267 -4.991 15.064 1.00 3.64 H new ATOM 756 N GLY A 50 8.623 -0.931 11.451 1.00 2.08 N ATOM 757 CA GLY A 50 9.009 0.173 12.314 1.00 2.69 C ATOM 758 C GLY A 50 8.375 1.484 11.844 1.00 2.29 C ATOM 759 O GLY A 50 8.327 2.458 12.594 1.00 3.26 O ATOM 0 H GLY A 50 7.627 -0.977 11.237 1.00 2.08 H new ATOM 0 HA2 GLY A 50 8.702 -0.037 13.338 1.00 2.69 H new ATOM 0 HA3 GLY A 50 10.095 0.272 12.321 1.00 2.69 H new ATOM 763 N SER A 51 7.903 1.466 10.606 1.00 1.56 N ATOM 764 CA SER A 51 7.263 2.637 10.033 1.00 2.01 C ATOM 765 C SER A 51 6.006 2.989 10.831 1.00 1.82 C ATOM 766 O SER A 51 5.534 2.189 11.637 1.00 2.70 O ATOM 767 CB SER A 51 6.909 2.406 8.562 1.00 3.14 C ATOM 768 OG SER A 51 6.348 1.114 8.344 1.00 4.05 O ATOM 0 H SER A 51 7.951 0.659 9.984 1.00 1.56 H new ATOM 0 HA SER A 51 7.964 3.470 10.085 1.00 2.01 H new ATOM 0 HB2 SER A 51 6.201 3.168 8.235 1.00 3.14 H new ATOM 0 HB3 SER A 51 7.805 2.520 7.951 1.00 3.14 H new ATOM 0 HG SER A 51 6.134 1.006 7.394 1.00 4.05 H new ATOM 774 N CYS A 52 5.500 4.187 10.579 1.00 1.76 N ATOM 775 CA CYS A 52 4.334 4.674 11.297 1.00 2.19 C ATOM 776 C CYS A 52 3.460 5.460 10.318 1.00 2.12 C ATOM 777 O CYS A 52 3.659 6.658 10.126 1.00 3.40 O ATOM 778 CB CYS A 52 4.730 5.517 12.511 1.00 3.25 C ATOM 779 SG CYS A 52 5.957 6.783 12.022 1.00 4.36 S ATOM 0 H CYS A 52 5.876 4.835 9.887 1.00 1.76 H new ATOM 0 HA CYS A 52 3.768 3.830 11.691 1.00 2.19 H new ATOM 0 HB2 CYS A 52 3.848 5.998 12.933 1.00 3.25 H new ATOM 0 HB3 CYS A 52 5.147 4.876 13.288 1.00 3.25 H new ATOM 0 HG CYS A 52 5.563 7.370 10.931 1.00 4.36 H new ATOM 785 N PHE A 53 2.509 4.752 9.725 1.00 1.76 N ATOM 786 CA PHE A 53 1.549 5.386 8.837 1.00 1.83 C ATOM 787 C PHE A 53 2.249 6.312 7.842 1.00 1.49 C ATOM 788 O PHE A 53 3.475 6.410 7.837 1.00 2.14 O ATOM 789 CB PHE A 53 0.609 6.216 9.715 1.00 2.62 C ATOM 790 CG PHE A 53 1.303 7.353 10.468 1.00 4.11 C ATOM 791 CD1 PHE A 53 1.590 8.517 9.826 1.00 4.99 C ATOM 792 CD2 PHE A 53 1.634 7.199 11.778 1.00 5.48 C ATOM 793 CE1 PHE A 53 2.234 9.572 10.525 1.00 6.97 C ATOM 794 CE2 PHE A 53 2.279 8.254 12.477 1.00 7.22 C ATOM 795 CZ PHE A 53 2.565 9.418 11.835 1.00 7.85 C ATOM 0 H PHE A 53 2.383 3.747 9.842 1.00 1.76 H new ATOM 0 HA PHE A 53 1.011 4.627 8.268 1.00 1.83 H new ATOM 0 HB2 PHE A 53 -0.179 6.636 9.090 1.00 2.62 H new ATOM 0 HB3 PHE A 53 0.126 5.557 10.437 1.00 2.62 H new ATOM 0 HD1 PHE A 53 1.328 8.639 8.785 1.00 4.99 H new ATOM 0 HD2 PHE A 53 1.406 6.274 12.287 1.00 5.48 H new ATOM 0 HE1 PHE A 53 2.461 10.497 10.016 1.00 6.97 H new ATOM 0 HE2 PHE A 53 2.542 8.132 13.517 1.00 7.22 H new ATOM 0 HZ PHE A 53 3.055 10.221 12.366 1.00 7.85 H new ATOM 805 N HIS A 54 1.440 6.970 7.025 1.00 1.49 N ATOM 806 CA HIS A 54 1.968 7.775 5.937 1.00 1.54 C ATOM 807 C HIS A 54 0.905 8.773 5.472 1.00 1.33 C ATOM 808 O HIS A 54 1.127 9.982 5.502 1.00 1.81 O ATOM 809 CB HIS A 54 2.483 6.887 4.803 1.00 2.29 C ATOM 810 CG HIS A 54 3.106 7.649 3.658 1.00 1.77 C ATOM 811 ND1 HIS A 54 3.510 7.042 2.483 1.00 1.80 N ATOM 812 CD2 HIS A 54 3.389 8.977 3.522 1.00 2.55 C ATOM 813 CE1 HIS A 54 4.012 7.970 1.682 1.00 2.16 C ATOM 814 NE2 HIS A 54 3.937 9.169 2.328 1.00 3.01 N ATOM 0 H HIS A 54 0.422 6.962 7.095 1.00 1.49 H new ATOM 0 HA HIS A 54 2.825 8.349 6.289 1.00 1.54 H new ATOM 0 HB2 HIS A 54 3.219 6.192 5.206 1.00 2.29 H new ATOM 0 HB3 HIS A 54 1.656 6.289 4.420 1.00 2.29 H new ATOM 0 HD1 HIS A 54 3.434 6.048 2.269 1.00 1.80 H new ATOM 0 HD2 HIS A 54 3.199 9.742 4.260 1.00 2.55 H new ATOM 0 HE1 HIS A 54 4.411 7.806 0.692 1.00 2.16 H new ATOM 822 N ARG A 55 -0.228 8.227 5.054 1.00 1.14 N ATOM 823 CA ARG A 55 -1.364 9.055 4.683 1.00 1.18 C ATOM 824 C ARG A 55 -2.666 8.268 4.835 1.00 0.97 C ATOM 825 O ARG A 55 -2.758 7.121 4.398 1.00 1.24 O ATOM 826 CB ARG A 55 -1.238 9.546 3.239 1.00 1.68 C ATOM 827 CG ARG A 55 -0.959 11.049 3.193 1.00 1.50 C ATOM 828 CD ARG A 55 -0.890 11.550 1.749 1.00 1.78 C ATOM 829 NE ARG A 55 -0.150 12.831 1.694 1.00 2.30 N ATOM 830 CZ ARG A 55 1.151 12.961 1.984 1.00 3.75 C ATOM 831 NH1 ARG A 55 1.916 11.871 2.131 1.00 4.90 N ATOM 832 NH2 ARG A 55 1.688 14.181 2.127 1.00 4.71 N ATOM 0 H ARG A 55 -0.384 7.223 4.964 1.00 1.14 H new ATOM 0 HA ARG A 55 -1.378 9.918 5.349 1.00 1.18 H new ATOM 0 HB2 ARG A 55 -0.434 9.008 2.737 1.00 1.68 H new ATOM 0 HB3 ARG A 55 -2.157 9.326 2.695 1.00 1.68 H new ATOM 0 HG2 ARG A 55 -1.742 11.584 3.730 1.00 1.50 H new ATOM 0 HG3 ARG A 55 -0.019 11.264 3.702 1.00 1.50 H new ATOM 0 HD2 ARG A 55 -0.397 10.808 1.121 1.00 1.78 H new ATOM 0 HD3 ARG A 55 -1.897 11.684 1.353 1.00 1.78 H new ATOM 0 HE ARG A 55 -0.664 13.668 1.418 1.00 2.30 H new ATOM 0 HH11 ARG A 55 1.507 10.943 2.022 1.00 4.90 H new ATOM 0 HH12 ARG A 55 2.907 11.969 2.352 1.00 4.90 H new ATOM 0 HH21 ARG A 55 1.106 15.011 2.015 1.00 4.71 H new ATOM 0 HH22 ARG A 55 2.679 14.279 2.348 1.00 4.71 H new ATOM 846 N ILE A 56 -3.642 8.913 5.457 1.00 0.79 N ATOM 847 CA ILE A 56 -4.919 8.271 5.715 1.00 0.61 C ATOM 848 C ILE A 56 -6.050 9.266 5.444 1.00 0.64 C ATOM 849 O ILE A 56 -6.082 10.348 6.028 1.00 0.85 O ATOM 850 CB ILE A 56 -4.946 7.678 7.125 1.00 0.62 C ATOM 851 CG1 ILE A 56 -3.787 6.702 7.331 1.00 0.72 C ATOM 852 CG2 ILE A 56 -6.300 7.031 7.422 1.00 0.65 C ATOM 853 CD1 ILE A 56 -3.974 5.893 8.617 1.00 0.74 C ATOM 0 H ILE A 56 -3.574 9.875 5.790 1.00 0.79 H new ATOM 0 HA ILE A 56 -5.065 7.430 5.038 1.00 0.61 H new ATOM 0 HB ILE A 56 -4.814 8.490 7.840 1.00 0.62 H new ATOM 0 HG12 ILE A 56 -3.720 6.026 6.478 1.00 0.72 H new ATOM 0 HG13 ILE A 56 -2.847 7.252 7.376 1.00 0.72 H new ATOM 0 HG21 ILE A 56 -6.292 6.617 8.430 1.00 0.65 H new ATOM 0 HG22 ILE A 56 -7.087 7.781 7.344 1.00 0.65 H new ATOM 0 HG23 ILE A 56 -6.487 6.233 6.704 1.00 0.65 H new ATOM 0 HD11 ILE A 56 -3.136 5.206 8.740 1.00 0.74 H new ATOM 0 HD12 ILE A 56 -4.016 6.570 9.470 1.00 0.74 H new ATOM 0 HD13 ILE A 56 -4.903 5.325 8.558 1.00 0.74 H new ATOM 865 N ILE A 57 -6.949 8.865 4.559 1.00 0.57 N ATOM 866 CA ILE A 57 -8.135 9.658 4.285 1.00 0.60 C ATOM 867 C ILE A 57 -9.377 8.775 4.421 1.00 0.57 C ATOM 868 O ILE A 57 -9.426 7.677 3.869 1.00 0.54 O ATOM 869 CB ILE A 57 -8.018 10.346 2.923 1.00 0.65 C ATOM 870 CG1 ILE A 57 -6.797 11.269 2.879 1.00 0.90 C ATOM 871 CG2 ILE A 57 -9.308 11.088 2.570 1.00 0.67 C ATOM 872 CD1 ILE A 57 -6.557 11.793 1.462 1.00 0.99 C ATOM 0 H ILE A 57 -6.880 8.001 4.022 1.00 0.57 H new ATOM 0 HA ILE A 57 -8.232 10.461 5.015 1.00 0.60 H new ATOM 0 HB ILE A 57 -7.871 9.578 2.164 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -6.945 12.107 3.560 1.00 0.90 H new ATOM 0 HG13 ILE A 57 -5.916 10.729 3.225 1.00 0.90 H new ATOM 0 HG21 ILE A 57 -9.197 11.568 1.598 1.00 0.67 H new ATOM 0 HG22 ILE A 57 -10.136 10.380 2.533 1.00 0.67 H new ATOM 0 HG23 ILE A 57 -9.511 11.845 3.327 1.00 0.67 H new ATOM 0 HD11 ILE A 57 -5.684 12.446 1.459 1.00 0.99 H new ATOM 0 HD12 ILE A 57 -6.385 10.954 0.788 1.00 0.99 H new ATOM 0 HD13 ILE A 57 -7.431 12.353 1.128 1.00 0.99 H new ATOM 884 N PRO A 58 -10.376 9.301 5.179 1.00 0.65 N ATOM 885 CA PRO A 58 -11.605 8.562 5.415 1.00 0.68 C ATOM 886 C PRO A 58 -12.497 8.570 4.172 1.00 0.66 C ATOM 887 O PRO A 58 -12.853 9.633 3.666 1.00 0.80 O ATOM 888 CB PRO A 58 -12.249 9.242 6.612 1.00 0.85 C ATOM 889 CG PRO A 58 -11.600 10.612 6.713 1.00 0.91 C ATOM 890 CD PRO A 58 -10.364 10.608 5.830 1.00 0.78 C ATOM 0 HA PRO A 58 -11.428 7.506 5.621 1.00 0.68 H new ATOM 0 HB2 PRO A 58 -13.327 9.330 6.478 1.00 0.85 H new ATOM 0 HB3 PRO A 58 -12.087 8.665 7.523 1.00 0.85 H new ATOM 0 HG2 PRO A 58 -12.295 11.388 6.393 1.00 0.91 H new ATOM 0 HG3 PRO A 58 -11.330 10.832 7.746 1.00 0.91 H new ATOM 0 HD2 PRO A 58 -10.398 11.415 5.098 1.00 0.78 H new ATOM 0 HD3 PRO A 58 -9.457 10.749 6.418 1.00 0.78 H new ATOM 898 N GLY A 59 -12.832 7.372 3.716 1.00 0.61 N ATOM 899 CA GLY A 59 -13.767 7.227 2.613 1.00 0.62 C ATOM 900 C GLY A 59 -13.084 7.510 1.274 1.00 0.59 C ATOM 901 O GLY A 59 -13.646 8.191 0.417 1.00 0.69 O ATOM 0 H GLY A 59 -12.473 6.493 4.090 1.00 0.61 H new ATOM 0 HA2 GLY A 59 -14.177 6.217 2.610 1.00 0.62 H new ATOM 0 HA3 GLY A 59 -14.605 7.911 2.750 1.00 0.62 H new ATOM 905 N PHE A 60 -11.881 6.973 1.135 1.00 0.53 N ATOM 906 CA PHE A 60 -11.143 7.101 -0.111 1.00 0.52 C ATOM 907 C PHE A 60 -10.007 6.079 -0.183 1.00 0.51 C ATOM 908 O PHE A 60 -10.058 5.144 -0.980 1.00 0.56 O ATOM 909 CB PHE A 60 -10.549 8.510 -0.136 1.00 0.58 C ATOM 910 CG PHE A 60 -9.550 8.745 -1.271 1.00 0.55 C ATOM 911 CD1 PHE A 60 -9.736 8.141 -2.476 1.00 1.90 C ATOM 912 CD2 PHE A 60 -8.477 9.558 -1.076 1.00 1.83 C ATOM 913 CE1 PHE A 60 -8.810 8.359 -3.529 1.00 1.87 C ATOM 914 CE2 PHE A 60 -7.551 9.776 -2.130 1.00 1.89 C ATOM 915 CZ PHE A 60 -7.737 9.172 -3.335 1.00 0.63 C ATOM 0 H PHE A 60 -11.398 6.448 1.864 1.00 0.53 H new ATOM 0 HA PHE A 60 -11.807 6.925 -0.957 1.00 0.52 H new ATOM 0 HB2 PHE A 60 -11.360 9.233 -0.224 1.00 0.58 H new ATOM 0 HB3 PHE A 60 -10.053 8.701 0.816 1.00 0.58 H new ATOM 0 HD1 PHE A 60 -10.588 7.496 -2.631 1.00 1.90 H new ATOM 0 HD2 PHE A 60 -8.329 10.038 -0.120 1.00 1.83 H new ATOM 0 HE1 PHE A 60 -8.957 7.879 -4.485 1.00 1.87 H new ATOM 0 HE2 PHE A 60 -6.699 10.421 -1.975 1.00 1.89 H new ATOM 0 HZ PHE A 60 -7.033 9.338 -4.137 1.00 0.63 H new ATOM 925 N MET A 61 -9.006 6.293 0.659 1.00 0.55 N ATOM 926 CA MET A 61 -7.751 5.576 0.528 1.00 0.76 C ATOM 927 C MET A 61 -7.000 5.535 1.861 1.00 0.66 C ATOM 928 O MET A 61 -7.036 6.496 2.627 1.00 0.73 O ATOM 929 CB MET A 61 -6.879 6.259 -0.527 1.00 1.03 C ATOM 930 CG MET A 61 -5.393 6.016 -0.254 1.00 1.28 C ATOM 931 SD MET A 61 -4.782 7.222 0.910 1.00 1.60 S ATOM 932 CE MET A 61 -4.603 8.632 -0.170 1.00 1.63 C ATOM 0 H MET A 61 -9.040 6.954 1.435 1.00 0.55 H new ATOM 0 HA MET A 61 -7.971 4.553 0.224 1.00 0.76 H new ATOM 0 HB2 MET A 61 -7.137 5.881 -1.516 1.00 1.03 H new ATOM 0 HB3 MET A 61 -7.081 7.330 -0.532 1.00 1.03 H new ATOM 0 HG2 MET A 61 -5.247 5.011 0.141 1.00 1.28 H new ATOM 0 HG3 MET A 61 -4.829 6.078 -1.185 1.00 1.28 H new ATOM 0 HE1 MET A 61 -3.891 9.334 0.263 1.00 1.63 H new ATOM 0 HE2 MET A 61 -4.240 8.301 -1.143 1.00 1.63 H new ATOM 0 HE3 MET A 61 -5.569 9.123 -0.291 1.00 1.63 H new ATOM 942 N CYS A 62 -6.339 4.412 2.097 1.00 0.65 N ATOM 943 CA CYS A 62 -5.470 4.284 3.255 1.00 0.73 C ATOM 944 C CYS A 62 -4.046 4.019 2.760 1.00 0.96 C ATOM 945 O CYS A 62 -3.715 2.897 2.381 1.00 1.16 O ATOM 946 CB CYS A 62 -5.955 3.190 4.208 1.00 0.91 C ATOM 947 SG CYS A 62 -4.927 3.178 5.722 1.00 2.33 S ATOM 0 H CYS A 62 -6.387 3.582 1.506 1.00 0.65 H new ATOM 0 HA CYS A 62 -5.488 5.210 3.830 1.00 0.73 H new ATOM 0 HB2 CYS A 62 -6.999 3.360 4.469 1.00 0.91 H new ATOM 0 HB3 CYS A 62 -5.904 2.219 3.716 1.00 0.91 H new ATOM 0 HG CYS A 62 -3.675 3.048 5.396 1.00 2.33 H new ATOM 953 N GLN A 63 -3.242 5.073 2.778 1.00 1.39 N ATOM 954 CA GLN A 63 -1.854 4.961 2.365 1.00 1.78 C ATOM 955 C GLN A 63 -0.980 4.538 3.547 1.00 1.47 C ATOM 956 O GLN A 63 -0.620 5.362 4.385 1.00 1.95 O ATOM 957 CB GLN A 63 -1.356 6.275 1.758 1.00 2.58 C ATOM 958 CG GLN A 63 0.168 6.273 1.624 1.00 3.38 C ATOM 959 CD GLN A 63 0.623 5.262 0.568 1.00 4.12 C ATOM 960 OE1 GLN A 63 0.250 5.326 -0.591 1.00 4.92 O ATOM 961 NE2 GLN A 63 1.448 4.329 1.034 1.00 4.78 N ATOM 0 H GLN A 63 -3.526 6.008 3.072 1.00 1.39 H new ATOM 0 HA GLN A 63 -1.785 4.193 1.595 1.00 1.78 H new ATOM 0 HB2 GLN A 63 -1.811 6.423 0.778 1.00 2.58 H new ATOM 0 HB3 GLN A 63 -1.669 7.111 2.384 1.00 2.58 H new ATOM 0 HG2 GLN A 63 0.514 7.270 1.352 1.00 3.38 H new ATOM 0 HG3 GLN A 63 0.621 6.030 2.585 1.00 3.38 H new ATOM 0 HE21 GLN A 63 1.720 4.334 2.017 1.00 4.78 H new ATOM 0 HE22 GLN A 63 1.809 3.608 0.408 1.00 4.78 H new ATOM 970 N GLY A 64 -0.666 3.250 3.577 1.00 1.63 N ATOM 971 CA GLY A 64 0.074 2.686 4.693 1.00 2.31 C ATOM 972 C GLY A 64 1.528 2.413 4.306 1.00 2.25 C ATOM 973 O GLY A 64 2.395 2.303 5.171 1.00 3.10 O ATOM 0 H GLY A 64 -0.911 2.582 2.846 1.00 1.63 H new ATOM 0 HA2 GLY A 64 0.042 3.373 5.539 1.00 2.31 H new ATOM 0 HA3 GLY A 64 -0.400 1.759 5.017 1.00 2.31 H new ATOM 977 N GLY A 65 1.751 2.313 3.003 1.00 2.92 N ATOM 978 CA GLY A 65 3.089 2.074 2.490 1.00 3.12 C ATOM 979 C GLY A 65 4.068 3.136 2.992 1.00 2.59 C ATOM 980 O GLY A 65 3.727 4.316 3.061 1.00 3.09 O ATOM 0 H GLY A 65 1.028 2.393 2.288 1.00 2.92 H new ATOM 0 HA2 GLY A 65 3.429 1.086 2.799 1.00 3.12 H new ATOM 0 HA3 GLY A 65 3.070 2.078 1.400 1.00 3.12 H new ATOM 984 N ASP A 66 5.264 2.679 3.333 1.00 2.61 N ATOM 985 CA ASP A 66 6.248 3.549 3.954 1.00 2.62 C ATOM 986 C ASP A 66 7.653 3.055 3.604 1.00 2.31 C ATOM 987 O ASP A 66 7.809 1.997 2.994 1.00 3.55 O ATOM 988 CB ASP A 66 6.109 3.538 5.478 1.00 4.05 C ATOM 989 CG ASP A 66 5.122 4.563 6.044 1.00 5.19 C ATOM 990 OD1 ASP A 66 5.394 5.770 5.867 1.00 5.29 O ATOM 991 OD2 ASP A 66 4.120 4.114 6.641 1.00 6.66 O ATOM 0 H ASP A 66 5.574 1.718 3.191 1.00 2.61 H new ATOM 0 HA ASP A 66 6.084 4.561 3.584 1.00 2.62 H new ATOM 0 HB2 ASP A 66 5.796 2.542 5.792 1.00 4.05 H new ATOM 0 HB3 ASP A 66 7.090 3.718 5.919 1.00 4.05 H new ATOM 996 N PHE A 67 8.641 3.842 4.005 1.00 1.91 N ATOM 997 CA PHE A 67 10.028 3.465 3.800 1.00 1.98 C ATOM 998 C PHE A 67 10.955 4.265 4.719 1.00 1.93 C ATOM 999 O PHE A 67 11.665 3.690 5.543 1.00 2.79 O ATOM 1000 CB PHE A 67 10.370 3.788 2.345 1.00 2.85 C ATOM 1001 CG PHE A 67 11.592 3.039 1.810 1.00 3.33 C ATOM 1002 CD1 PHE A 67 12.816 3.251 2.365 1.00 3.68 C ATOM 1003 CD2 PHE A 67 11.455 2.161 0.781 1.00 4.47 C ATOM 1004 CE1 PHE A 67 13.950 2.555 1.870 1.00 4.78 C ATOM 1005 CE2 PHE A 67 12.589 1.465 0.286 1.00 5.44 C ATOM 1006 CZ PHE A 67 13.813 1.677 0.841 1.00 5.45 C ATOM 0 H PHE A 67 8.507 4.739 4.471 1.00 1.91 H new ATOM 0 HA PHE A 67 10.162 2.407 4.024 1.00 1.98 H new ATOM 0 HB2 PHE A 67 9.509 3.551 1.719 1.00 2.85 H new ATOM 0 HB3 PHE A 67 10.545 4.860 2.253 1.00 2.85 H new ATOM 0 HD1 PHE A 67 12.925 3.949 3.182 1.00 3.68 H new ATOM 0 HD2 PHE A 67 10.483 1.993 0.340 1.00 4.47 H new ATOM 0 HE1 PHE A 67 14.922 2.723 2.311 1.00 4.78 H new ATOM 0 HE2 PHE A 67 12.480 0.767 -0.531 1.00 5.44 H new ATOM 0 HZ PHE A 67 14.676 1.148 0.464 1.00 5.45 H new ATOM 1016 N THR A 68 10.918 5.577 4.546 1.00 2.00 N ATOM 1017 CA THR A 68 11.937 6.437 5.124 1.00 2.51 C ATOM 1018 C THR A 68 11.317 7.749 5.607 1.00 2.87 C ATOM 1019 O THR A 68 11.435 8.101 6.780 1.00 3.73 O ATOM 1020 CB THR A 68 13.038 6.634 4.080 1.00 3.04 C ATOM 1021 OG1 THR A 68 14.206 6.109 4.703 1.00 3.56 O ATOM 1022 CG2 THR A 68 13.369 8.109 3.848 1.00 4.00 C ATOM 0 H THR A 68 10.198 6.066 4.014 1.00 2.00 H new ATOM 0 HA THR A 68 12.384 5.981 6.007 1.00 2.51 H new ATOM 0 HB THR A 68 12.730 6.180 3.138 1.00 3.04 H new ATOM 0 HG1 THR A 68 14.969 6.195 4.094 1.00 3.56 H new ATOM 0 HG21 THR A 68 14.156 8.192 3.098 1.00 4.00 H new ATOM 0 HG22 THR A 68 12.478 8.631 3.498 1.00 4.00 H new ATOM 0 HG23 THR A 68 13.709 8.557 4.782 1.00 4.00 H new ATOM 1030 N ARG A 69 10.669 8.438 4.678 1.00 2.80 N ATOM 1031 CA ARG A 69 10.223 9.798 4.930 1.00 3.58 C ATOM 1032 C ARG A 69 8.873 9.788 5.651 1.00 3.91 C ATOM 1033 O ARG A 69 8.726 10.400 6.708 1.00 4.76 O ATOM 1034 CB ARG A 69 10.091 10.584 3.624 1.00 4.08 C ATOM 1035 CG ARG A 69 11.393 11.313 3.289 1.00 4.28 C ATOM 1036 CD ARG A 69 11.470 12.658 4.016 1.00 5.67 C ATOM 1037 NE ARG A 69 12.764 13.316 3.725 1.00 5.95 N ATOM 1038 CZ ARG A 69 13.144 14.488 4.251 1.00 7.03 C ATOM 1039 NH1 ARG A 69 12.332 15.141 5.093 1.00 7.97 N ATOM 1040 NH2 ARG A 69 14.338 15.009 3.934 1.00 7.54 N ATOM 0 H ARG A 69 10.442 8.080 3.750 1.00 2.80 H new ATOM 0 HA ARG A 69 10.971 10.282 5.558 1.00 3.58 H new ATOM 0 HB2 ARG A 69 9.831 9.905 2.812 1.00 4.08 H new ATOM 0 HB3 ARG A 69 9.278 11.305 3.710 1.00 4.08 H new ATOM 0 HG2 ARG A 69 12.244 10.693 3.571 1.00 4.28 H new ATOM 0 HG3 ARG A 69 11.458 11.473 2.213 1.00 4.28 H new ATOM 0 HD2 ARG A 69 10.647 13.299 3.700 1.00 5.67 H new ATOM 0 HD3 ARG A 69 11.362 12.507 5.090 1.00 5.67 H new ATOM 0 HE ARG A 69 13.406 12.848 3.085 1.00 5.95 H new ATOM 0 HH11 ARG A 69 11.423 14.746 5.334 1.00 7.97 H new ATOM 0 HH12 ARG A 69 12.623 16.033 5.493 1.00 7.97 H new ATOM 0 HH21 ARG A 69 14.957 14.513 3.292 1.00 7.54 H new ATOM 0 HH22 ARG A 69 14.628 15.901 4.334 1.00 7.54 H new ATOM 1054 N HIS A 70 7.922 9.088 5.050 1.00 3.92 N ATOM 1055 CA HIS A 70 6.570 9.052 5.582 1.00 4.56 C ATOM 1056 C HIS A 70 5.925 10.431 5.436 1.00 5.00 C ATOM 1057 O HIS A 70 4.984 10.760 6.156 1.00 6.10 O ATOM 1058 CB HIS A 70 6.567 8.546 7.024 1.00 4.86 C ATOM 1059 CG HIS A 70 7.675 7.567 7.335 1.00 4.09 C ATOM 1060 ND1 HIS A 70 7.843 6.381 6.641 1.00 4.20 N ATOM 1061 CD2 HIS A 70 8.667 7.610 8.269 1.00 3.87 C ATOM 1062 CE1 HIS A 70 8.893 5.748 7.144 1.00 3.83 C ATOM 1063 NE2 HIS A 70 9.401 6.511 8.153 1.00 3.79 N ATOM 0 H HIS A 70 8.061 8.541 4.200 1.00 3.92 H new ATOM 0 HA HIS A 70 5.969 8.345 5.010 1.00 4.56 H new ATOM 0 HB2 HIS A 70 6.650 9.399 7.697 1.00 4.86 H new ATOM 0 HB3 HIS A 70 5.608 8.070 7.229 1.00 4.86 H new ATOM 0 HD1 HIS A 70 7.258 6.051 5.873 1.00 4.20 H new ATOM 0 HD2 HIS A 70 8.828 8.404 8.983 1.00 3.87 H new ATOM 0 HE1 HIS A 70 9.279 4.795 6.813 1.00 3.83 H new ATOM 1071 N ASN A 71 6.456 11.203 4.499 1.00 4.38 N ATOM 1072 CA ASN A 71 5.999 12.568 4.304 1.00 4.83 C ATOM 1073 C ASN A 71 5.267 12.669 2.965 1.00 5.02 C ATOM 1074 O ASN A 71 4.189 13.257 2.885 1.00 5.82 O ATOM 1075 CB ASN A 71 7.176 13.545 4.274 1.00 4.82 C ATOM 1076 CG ASN A 71 6.686 14.993 4.210 1.00 5.68 C ATOM 1077 OD1 ASN A 71 6.336 15.602 5.208 1.00 6.30 O ATOM 1078 ND2 ASN A 71 6.680 15.507 2.984 1.00 6.29 N ATOM 0 H ASN A 71 7.199 10.908 3.866 1.00 4.38 H new ATOM 0 HA ASN A 71 5.339 12.824 5.133 1.00 4.83 H new ATOM 0 HB2 ASN A 71 7.792 13.405 5.162 1.00 4.82 H new ATOM 0 HB3 ASN A 71 7.807 13.333 3.411 1.00 4.82 H new ATOM 0 HD21 ASN A 71 6.369 16.467 2.835 1.00 6.29 H new ATOM 0 HD22 ASN A 71 6.986 14.941 2.192 1.00 6.29 H new ATOM 1085 N GLY A 72 5.881 12.089 1.945 1.00 4.53 N ATOM 1086 CA GLY A 72 5.346 12.182 0.597 1.00 4.85 C ATOM 1087 C GLY A 72 5.970 11.123 -0.315 1.00 4.07 C ATOM 1088 O GLY A 72 5.263 10.291 -0.880 1.00 4.59 O ATOM 0 H GLY A 72 6.745 11.552 2.025 1.00 4.53 H new ATOM 0 HA2 GLY A 72 4.264 12.054 0.622 1.00 4.85 H new ATOM 0 HA3 GLY A 72 5.540 13.175 0.193 1.00 4.85 H new ATOM 1092 N THR A 73 7.289 11.189 -0.429 1.00 3.22 N ATOM 1093 CA THR A 73 8.016 10.241 -1.256 1.00 2.72 C ATOM 1094 C THR A 73 8.603 9.122 -0.394 1.00 2.43 C ATOM 1095 O THR A 73 7.874 8.258 0.090 1.00 3.47 O ATOM 1096 CB THR A 73 9.070 11.016 -2.047 1.00 2.74 C ATOM 1097 OG1 THR A 73 8.318 11.979 -2.778 1.00 3.77 O ATOM 1098 CG2 THR A 73 9.735 10.163 -3.130 1.00 2.99 C ATOM 0 H THR A 73 7.872 11.884 0.037 1.00 3.22 H new ATOM 0 HA THR A 73 7.354 9.747 -1.967 1.00 2.72 H new ATOM 0 HB THR A 73 9.831 11.393 -1.363 1.00 2.74 H new ATOM 0 HG1 THR A 73 8.925 12.527 -3.318 1.00 3.77 H new ATOM 0 HG21 THR A 73 10.475 10.762 -3.661 1.00 2.99 H new ATOM 0 HG22 THR A 73 10.225 9.306 -2.668 1.00 2.99 H new ATOM 0 HG23 THR A 73 8.979 9.813 -3.833 1.00 2.99 H new ATOM 1106 N GLY A 74 9.918 9.174 -0.229 1.00 1.98 N ATOM 1107 CA GLY A 74 10.604 8.209 0.612 1.00 1.95 C ATOM 1108 C GLY A 74 10.786 6.877 -0.117 1.00 1.92 C ATOM 1109 O GLY A 74 11.902 6.371 -0.225 1.00 2.75 O ATOM 0 H GLY A 74 10.525 9.869 -0.664 1.00 1.98 H new ATOM 0 HA2 GLY A 74 11.577 8.603 0.904 1.00 1.95 H new ATOM 0 HA3 GLY A 74 10.035 8.051 1.529 1.00 1.95 H new ATOM 1113 N GLY A 75 9.672 6.346 -0.599 1.00 2.41 N ATOM 1114 CA GLY A 75 9.660 4.999 -1.147 1.00 2.53 C ATOM 1115 C GLY A 75 10.737 4.834 -2.219 1.00 2.17 C ATOM 1116 O GLY A 75 10.593 5.337 -3.332 1.00 2.91 O ATOM 0 H GLY A 75 8.771 6.824 -0.622 1.00 2.41 H new ATOM 0 HA2 GLY A 75 9.824 4.276 -0.348 1.00 2.53 H new ATOM 0 HA3 GLY A 75 8.680 4.785 -1.575 1.00 2.53 H new ATOM 1120 N LYS A 76 11.795 4.127 -1.847 1.00 1.80 N ATOM 1121 CA LYS A 76 12.746 3.630 -2.827 1.00 1.76 C ATOM 1122 C LYS A 76 12.370 2.199 -3.215 1.00 1.61 C ATOM 1123 O LYS A 76 11.319 1.700 -2.816 1.00 1.90 O ATOM 1124 CB LYS A 76 14.177 3.770 -2.304 1.00 2.18 C ATOM 1125 CG LYS A 76 14.506 5.230 -1.989 1.00 3.24 C ATOM 1126 CD LYS A 76 14.757 5.425 -0.492 1.00 3.82 C ATOM 1127 CE LYS A 76 16.136 4.895 -0.094 1.00 4.13 C ATOM 1128 NZ LYS A 76 16.444 5.258 1.308 1.00 5.32 N ATOM 0 H LYS A 76 12.014 3.887 -0.880 1.00 1.80 H new ATOM 0 HA LYS A 76 12.704 4.229 -3.737 1.00 1.76 H new ATOM 0 HB2 LYS A 76 14.301 3.164 -1.406 1.00 2.18 H new ATOM 0 HB3 LYS A 76 14.878 3.388 -3.046 1.00 2.18 H new ATOM 0 HG2 LYS A 76 15.387 5.538 -2.552 1.00 3.24 H new ATOM 0 HG3 LYS A 76 13.683 5.869 -2.310 1.00 3.24 H new ATOM 0 HD2 LYS A 76 14.684 6.483 -0.242 1.00 3.82 H new ATOM 0 HD3 LYS A 76 13.986 4.909 0.080 1.00 3.82 H new ATOM 0 HE2 LYS A 76 16.164 3.812 -0.210 1.00 4.13 H new ATOM 0 HE3 LYS A 76 16.896 5.306 -0.758 1.00 4.13 H new ATOM 0 HZ1 LYS A 76 17.383 4.891 1.563 1.00 5.32 H new ATOM 0 HZ2 LYS A 76 16.438 6.293 1.408 1.00 5.32 H new ATOM 0 HZ3 LYS A 76 15.728 4.845 1.939 1.00 5.32 H new ATOM 1142 N SER A 77 13.248 1.579 -3.989 1.00 1.48 N ATOM 1143 CA SER A 77 13.022 0.215 -4.434 1.00 1.47 C ATOM 1144 C SER A 77 14.305 -0.603 -4.287 1.00 1.55 C ATOM 1145 O SER A 77 15.369 -0.052 -4.011 1.00 1.89 O ATOM 1146 CB SER A 77 12.537 0.183 -5.885 1.00 1.60 C ATOM 1147 OG SER A 77 13.617 0.257 -6.812 1.00 2.89 O ATOM 0 H SER A 77 14.118 1.997 -4.320 1.00 1.48 H new ATOM 0 HA SER A 77 12.245 -0.224 -3.808 1.00 1.47 H new ATOM 0 HB2 SER A 77 11.973 -0.733 -6.058 1.00 1.60 H new ATOM 0 HB3 SER A 77 11.854 1.015 -6.057 1.00 1.60 H new ATOM 0 HG SER A 77 13.265 0.232 -7.726 1.00 2.89 H new ATOM 1153 N ILE A 78 14.164 -1.908 -4.477 1.00 1.42 N ATOM 1154 CA ILE A 78 15.275 -2.819 -4.268 1.00 1.60 C ATOM 1155 C ILE A 78 16.174 -2.814 -5.505 1.00 1.62 C ATOM 1156 O ILE A 78 17.319 -3.259 -5.448 1.00 1.83 O ATOM 1157 CB ILE A 78 14.762 -4.209 -3.887 1.00 1.72 C ATOM 1158 CG1 ILE A 78 14.281 -4.974 -5.122 1.00 1.94 C ATOM 1159 CG2 ILE A 78 13.678 -4.119 -2.810 1.00 1.90 C ATOM 1160 CD1 ILE A 78 14.046 -6.451 -4.796 1.00 1.93 C ATOM 0 H ILE A 78 13.296 -2.355 -4.774 1.00 1.42 H new ATOM 0 HA ILE A 78 15.886 -2.488 -3.429 1.00 1.60 H new ATOM 0 HB ILE A 78 15.592 -4.773 -3.461 1.00 1.72 H new ATOM 0 HG12 ILE A 78 13.358 -4.529 -5.493 1.00 1.94 H new ATOM 0 HG13 ILE A 78 15.020 -4.887 -5.919 1.00 1.94 H new ATOM 0 HG21 ILE A 78 13.331 -5.121 -2.558 1.00 1.90 H new ATOM 0 HG22 ILE A 78 14.088 -3.643 -1.920 1.00 1.90 H new ATOM 0 HG23 ILE A 78 12.841 -3.529 -3.184 1.00 1.90 H new ATOM 0 HD11 ILE A 78 13.705 -6.971 -5.691 1.00 1.93 H new ATOM 0 HD12 ILE A 78 14.977 -6.899 -4.448 1.00 1.93 H new ATOM 0 HD13 ILE A 78 13.289 -6.536 -4.016 1.00 1.93 H new ATOM 1172 N TYR A 79 15.622 -2.304 -6.597 1.00 1.50 N ATOM 1173 CA TYR A 79 16.343 -2.276 -7.857 1.00 1.57 C ATOM 1174 C TYR A 79 17.153 -0.985 -7.998 1.00 1.66 C ATOM 1175 O TYR A 79 17.957 -0.849 -8.918 1.00 1.87 O ATOM 1176 CB TYR A 79 15.277 -2.317 -8.954 1.00 1.62 C ATOM 1177 CG TYR A 79 14.791 -3.727 -9.298 1.00 1.69 C ATOM 1178 CD1 TYR A 79 13.827 -4.334 -8.518 1.00 2.06 C ATOM 1179 CD2 TYR A 79 15.317 -4.392 -10.387 1.00 3.04 C ATOM 1180 CE1 TYR A 79 13.370 -5.660 -8.841 1.00 2.22 C ATOM 1181 CE2 TYR A 79 14.860 -5.719 -10.710 1.00 3.22 C ATOM 1182 CZ TYR A 79 13.909 -6.287 -9.921 1.00 2.14 C ATOM 1183 OH TYR A 79 13.477 -7.540 -10.226 1.00 2.47 O ATOM 0 H TYR A 79 14.683 -1.907 -6.634 1.00 1.50 H new ATOM 0 HA TYR A 79 17.039 -3.112 -7.919 1.00 1.57 H new ATOM 0 HB2 TYR A 79 14.424 -1.716 -8.639 1.00 1.62 H new ATOM 0 HB3 TYR A 79 15.679 -1.853 -9.854 1.00 1.62 H new ATOM 0 HD1 TYR A 79 13.416 -3.814 -7.665 1.00 2.06 H new ATOM 0 HD2 TYR A 79 16.071 -3.917 -10.997 1.00 3.04 H new ATOM 0 HE1 TYR A 79 12.616 -6.146 -8.239 1.00 2.22 H new ATOM 0 HE2 TYR A 79 15.263 -6.251 -11.559 1.00 3.22 H new ATOM 0 HH TYR A 79 13.393 -8.066 -9.404 1.00 2.47 H new ATOM 1193 N GLY A 80 16.911 -0.070 -7.071 1.00 1.59 N ATOM 1194 CA GLY A 80 17.649 1.181 -7.045 1.00 1.71 C ATOM 1195 C GLY A 80 16.817 2.295 -6.406 1.00 1.80 C ATOM 1196 O GLY A 80 17.152 2.785 -5.328 1.00 3.00 O ATOM 0 H GLY A 80 16.214 -0.170 -6.333 1.00 1.59 H new ATOM 0 HA2 GLY A 80 18.576 1.049 -6.487 1.00 1.71 H new ATOM 0 HA3 GLY A 80 17.926 1.465 -8.060 1.00 1.71 H new ATOM 1200 N GLU A 81 15.749 2.664 -7.098 1.00 1.46 N ATOM 1201 CA GLU A 81 14.877 3.723 -6.621 1.00 1.41 C ATOM 1202 C GLU A 81 13.478 3.572 -7.222 1.00 1.23 C ATOM 1203 O GLU A 81 12.479 3.676 -6.513 1.00 1.24 O ATOM 1204 CB GLU A 81 15.463 5.101 -6.938 1.00 1.60 C ATOM 1205 CG GLU A 81 14.817 6.184 -6.073 1.00 2.24 C ATOM 1206 CD GLU A 81 15.226 7.581 -6.546 1.00 2.67 C ATOM 1207 OE1 GLU A 81 16.325 8.018 -6.142 1.00 2.70 O ATOM 1208 OE2 GLU A 81 14.429 8.179 -7.302 1.00 3.80 O ATOM 0 H GLU A 81 15.468 2.248 -7.986 1.00 1.46 H new ATOM 0 HA GLU A 81 14.797 3.638 -5.537 1.00 1.41 H new ATOM 0 HB2 GLU A 81 16.540 5.090 -6.769 1.00 1.60 H new ATOM 0 HB3 GLU A 81 15.308 5.332 -7.992 1.00 1.60 H new ATOM 0 HG2 GLU A 81 13.732 6.086 -6.112 1.00 2.24 H new ATOM 0 HG3 GLU A 81 15.112 6.048 -5.033 1.00 2.24 H new ATOM 1215 N LYS A 82 13.452 3.326 -8.524 1.00 1.22 N ATOM 1216 CA LYS A 82 12.206 3.014 -9.202 1.00 1.07 C ATOM 1217 C LYS A 82 12.429 1.837 -10.154 1.00 1.08 C ATOM 1218 O LYS A 82 13.558 1.385 -10.334 1.00 1.23 O ATOM 1219 CB LYS A 82 11.642 4.261 -9.888 1.00 1.12 C ATOM 1220 CG LYS A 82 11.310 5.347 -8.863 1.00 1.93 C ATOM 1221 CD LYS A 82 12.453 6.357 -8.743 1.00 2.27 C ATOM 1222 CE LYS A 82 12.321 7.462 -9.792 1.00 2.87 C ATOM 1223 NZ LYS A 82 13.472 8.389 -9.716 1.00 3.58 N ATOM 0 H LYS A 82 14.275 3.337 -9.127 1.00 1.22 H new ATOM 0 HA LYS A 82 11.448 2.704 -8.482 1.00 1.07 H new ATOM 0 HB2 LYS A 82 12.366 4.644 -10.607 1.00 1.12 H new ATOM 0 HB3 LYS A 82 10.745 3.998 -10.448 1.00 1.12 H new ATOM 0 HG2 LYS A 82 10.395 5.861 -9.157 1.00 1.93 H new ATOM 0 HG3 LYS A 82 11.121 4.890 -7.892 1.00 1.93 H new ATOM 0 HD2 LYS A 82 12.452 6.796 -7.745 1.00 2.27 H new ATOM 0 HD3 LYS A 82 13.408 5.847 -8.866 1.00 2.27 H new ATOM 0 HE2 LYS A 82 12.266 7.022 -10.788 1.00 2.87 H new ATOM 0 HE3 LYS A 82 11.393 8.012 -9.635 1.00 2.87 H new ATOM 0 HZ1 LYS A 82 13.131 9.370 -9.763 1.00 3.58 H new ATOM 0 HZ2 LYS A 82 13.978 8.241 -8.820 1.00 3.58 H new ATOM 0 HZ3 LYS A 82 14.117 8.208 -10.512 1.00 3.58 H new ATOM 1237 N PHE A 83 11.332 1.374 -10.738 1.00 1.06 N ATOM 1238 CA PHE A 83 11.407 0.339 -11.755 1.00 1.23 C ATOM 1239 C PHE A 83 10.051 0.142 -12.436 1.00 1.14 C ATOM 1240 O PHE A 83 9.012 0.465 -11.863 1.00 1.29 O ATOM 1241 CB PHE A 83 11.803 -0.957 -11.047 1.00 1.67 C ATOM 1242 CG PHE A 83 10.637 -1.674 -10.364 1.00 1.42 C ATOM 1243 CD1 PHE A 83 10.259 -1.314 -9.108 1.00 2.04 C ATOM 1244 CD2 PHE A 83 9.978 -2.672 -11.012 1.00 2.12 C ATOM 1245 CE1 PHE A 83 9.177 -1.980 -8.474 1.00 2.40 C ATOM 1246 CE2 PHE A 83 8.896 -3.338 -10.378 1.00 2.19 C ATOM 1247 CZ PHE A 83 8.518 -2.978 -9.122 1.00 1.97 C ATOM 0 H PHE A 83 10.388 1.697 -10.526 1.00 1.06 H new ATOM 0 HA PHE A 83 12.130 0.620 -12.520 1.00 1.23 H new ATOM 0 HB2 PHE A 83 12.256 -1.632 -11.773 1.00 1.67 H new ATOM 0 HB3 PHE A 83 12.566 -0.733 -10.301 1.00 1.67 H new ATOM 0 HD1 PHE A 83 10.782 -0.522 -8.593 1.00 2.04 H new ATOM 0 HD2 PHE A 83 10.278 -2.958 -12.009 1.00 2.12 H new ATOM 0 HE1 PHE A 83 8.877 -1.694 -7.477 1.00 2.40 H new ATOM 0 HE2 PHE A 83 8.373 -4.130 -10.893 1.00 2.19 H new ATOM 0 HZ PHE A 83 7.695 -3.484 -8.639 1.00 1.97 H new ATOM 1257 N GLU A 84 10.106 -0.389 -13.648 1.00 1.17 N ATOM 1258 CA GLU A 84 8.912 -0.505 -14.469 1.00 1.24 C ATOM 1259 C GLU A 84 7.910 -1.461 -13.817 1.00 1.51 C ATOM 1260 O GLU A 84 8.275 -2.247 -12.944 1.00 1.76 O ATOM 1261 CB GLU A 84 9.264 -0.961 -15.886 1.00 1.30 C ATOM 1262 CG GLU A 84 10.151 0.067 -16.590 1.00 2.13 C ATOM 1263 CD GLU A 84 10.434 -0.349 -18.034 1.00 2.90 C ATOM 1264 OE1 GLU A 84 11.376 -1.149 -18.221 1.00 3.03 O ATOM 1265 OE2 GLU A 84 9.702 0.142 -18.920 1.00 4.14 O ATOM 0 H GLU A 84 10.958 -0.744 -14.082 1.00 1.17 H new ATOM 0 HA GLU A 84 8.449 0.479 -14.544 1.00 1.24 H new ATOM 0 HB2 GLU A 84 9.777 -1.922 -15.845 1.00 1.30 H new ATOM 0 HB3 GLU A 84 8.350 -1.112 -16.461 1.00 1.30 H new ATOM 0 HG2 GLU A 84 9.664 1.042 -16.578 1.00 2.13 H new ATOM 0 HG3 GLU A 84 11.091 0.174 -16.048 1.00 2.13 H new ATOM 1272 N ASP A 85 6.668 -1.362 -14.267 1.00 1.76 N ATOM 1273 CA ASP A 85 5.610 -2.205 -13.736 1.00 2.18 C ATOM 1274 C ASP A 85 5.415 -3.410 -14.658 1.00 2.13 C ATOM 1275 O ASP A 85 6.050 -4.447 -14.475 1.00 3.39 O ATOM 1276 CB ASP A 85 4.285 -1.445 -13.663 1.00 2.64 C ATOM 1277 CG ASP A 85 3.040 -2.327 -13.549 1.00 4.21 C ATOM 1278 OD1 ASP A 85 3.019 -3.161 -12.619 1.00 5.72 O ATOM 1279 OD2 ASP A 85 2.137 -2.146 -14.393 1.00 4.55 O ATOM 0 H ASP A 85 6.370 -0.711 -14.993 1.00 1.76 H new ATOM 0 HA ASP A 85 5.900 -2.520 -12.734 1.00 2.18 H new ATOM 0 HB2 ASP A 85 4.316 -0.773 -12.805 1.00 2.64 H new ATOM 0 HB3 ASP A 85 4.191 -0.822 -14.553 1.00 2.64 H new ATOM 1284 N GLU A 86 4.530 -3.234 -15.629 1.00 1.18 N ATOM 1285 CA GLU A 86 4.140 -4.334 -16.494 1.00 1.16 C ATOM 1286 C GLU A 86 3.014 -3.898 -17.434 1.00 1.00 C ATOM 1287 O GLU A 86 3.212 -3.805 -18.645 1.00 1.09 O ATOM 1288 CB GLU A 86 3.726 -5.558 -15.673 1.00 1.37 C ATOM 1289 CG GLU A 86 4.644 -6.747 -15.960 1.00 2.74 C ATOM 1290 CD GLU A 86 4.289 -7.941 -15.071 1.00 3.25 C ATOM 1291 OE1 GLU A 86 4.631 -7.876 -13.870 1.00 3.63 O ATOM 1292 OE2 GLU A 86 3.682 -8.891 -15.612 1.00 4.40 O ATOM 0 H GLU A 86 4.072 -2.346 -15.835 1.00 1.18 H new ATOM 0 HA GLU A 86 5.002 -4.617 -17.098 1.00 1.16 H new ATOM 0 HB2 GLU A 86 3.760 -5.316 -14.611 1.00 1.37 H new ATOM 0 HB3 GLU A 86 2.695 -5.825 -15.906 1.00 1.37 H new ATOM 0 HG2 GLU A 86 4.559 -7.032 -17.009 1.00 2.74 H new ATOM 0 HG3 GLU A 86 5.682 -6.459 -15.791 1.00 2.74 H new ATOM 1299 N ASN A 87 1.858 -3.641 -16.841 1.00 0.87 N ATOM 1300 CA ASN A 87 0.680 -3.290 -17.615 1.00 0.74 C ATOM 1301 C ASN A 87 -0.491 -3.029 -16.667 1.00 0.75 C ATOM 1302 O ASN A 87 -0.443 -3.405 -15.497 1.00 1.05 O ATOM 1303 CB ASN A 87 0.281 -4.429 -18.556 1.00 0.82 C ATOM 1304 CG ASN A 87 0.764 -5.778 -18.020 1.00 1.30 C ATOM 1305 OD1 ASN A 87 0.237 -6.114 -16.847 1.00 2.95 O flip ATOM 1306 ND2 ASN A 87 1.563 -6.468 -18.632 1.00 1.01 N flip ATOM 0 H ASN A 87 1.712 -3.669 -15.832 1.00 0.87 H new ATOM 0 HA ASN A 87 0.915 -2.402 -18.201 1.00 0.74 H new ATOM 0 HB2 ASN A 87 -0.803 -4.447 -18.672 1.00 0.82 H new ATOM 0 HB3 ASN A 87 0.705 -4.254 -19.545 1.00 0.82 H new ATOM 0 HD21 ASN A 87 1.929 -6.150 -19.529 1.00 1.01 H new ATOM 0 HD22 ASN A 87 1.865 -7.363 -18.246 1.00 1.01 H new ATOM 1313 N PHE A 88 -1.516 -2.385 -17.207 1.00 0.62 N ATOM 1314 CA PHE A 88 -2.723 -2.125 -16.441 1.00 0.66 C ATOM 1315 C PHE A 88 -3.818 -3.137 -16.783 1.00 0.70 C ATOM 1316 O PHE A 88 -4.966 -2.760 -17.015 1.00 0.75 O ATOM 1317 CB PHE A 88 -3.202 -0.723 -16.824 1.00 0.68 C ATOM 1318 CG PHE A 88 -2.117 0.352 -16.735 1.00 0.68 C ATOM 1319 CD1 PHE A 88 -1.608 0.707 -15.524 1.00 1.65 C ATOM 1320 CD2 PHE A 88 -1.662 0.954 -17.866 1.00 1.77 C ATOM 1321 CE1 PHE A 88 -0.602 1.704 -15.442 1.00 1.61 C ATOM 1322 CE2 PHE A 88 -0.655 1.951 -17.784 1.00 1.89 C ATOM 1323 CZ PHE A 88 -0.146 2.305 -16.574 1.00 0.88 C ATOM 0 H PHE A 88 -1.535 -2.036 -18.165 1.00 0.62 H new ATOM 0 HA PHE A 88 -2.512 -2.206 -15.375 1.00 0.66 H new ATOM 0 HB2 PHE A 88 -3.591 -0.749 -17.842 1.00 0.68 H new ATOM 0 HB3 PHE A 88 -4.030 -0.443 -16.173 1.00 0.68 H new ATOM 0 HD1 PHE A 88 -1.970 0.230 -14.625 1.00 1.65 H new ATOM 0 HD2 PHE A 88 -2.067 0.674 -18.827 1.00 1.77 H new ATOM 0 HE1 PHE A 88 -0.198 1.986 -14.481 1.00 1.61 H new ATOM 0 HE2 PHE A 88 -0.293 2.428 -18.683 1.00 1.89 H new ATOM 0 HZ PHE A 88 0.620 3.063 -16.512 1.00 0.88 H new ATOM 1333 N ILE A 89 -3.425 -4.402 -16.802 1.00 0.72 N ATOM 1334 CA ILE A 89 -4.368 -5.474 -17.070 1.00 0.79 C ATOM 1335 C ILE A 89 -5.443 -5.487 -15.981 1.00 0.79 C ATOM 1336 O ILE A 89 -6.589 -5.849 -16.240 1.00 0.92 O ATOM 1337 CB ILE A 89 -3.634 -6.807 -17.225 1.00 0.86 C ATOM 1338 CG1 ILE A 89 -2.938 -6.895 -18.585 1.00 0.87 C ATOM 1339 CG2 ILE A 89 -4.579 -7.986 -16.987 1.00 1.00 C ATOM 1340 CD1 ILE A 89 -1.948 -8.062 -18.620 1.00 0.90 C ATOM 0 H ILE A 89 -2.466 -4.709 -16.636 1.00 0.72 H new ATOM 0 HA ILE A 89 -4.877 -5.304 -18.019 1.00 0.79 H new ATOM 0 HB ILE A 89 -2.857 -6.859 -16.462 1.00 0.86 H new ATOM 0 HG12 ILE A 89 -3.683 -7.021 -19.371 1.00 0.87 H new ATOM 0 HG13 ILE A 89 -2.413 -5.962 -18.790 1.00 0.87 H new ATOM 0 HG21 ILE A 89 -4.031 -8.921 -17.104 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -4.986 -7.928 -15.978 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -5.394 -7.951 -17.710 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -1.467 -8.102 -19.597 1.00 0.90 H new ATOM 0 HD12 ILE A 89 -1.191 -7.920 -17.849 1.00 0.90 H new ATOM 0 HD13 ILE A 89 -2.480 -8.996 -18.439 1.00 0.90 H new ATOM 1352 N LEU A 90 -5.032 -5.088 -14.785 1.00 0.70 N ATOM 1353 CA LEU A 90 -5.939 -5.074 -13.651 1.00 0.69 C ATOM 1354 C LEU A 90 -6.866 -3.861 -13.757 1.00 0.61 C ATOM 1355 O LEU A 90 -6.667 -2.998 -14.611 1.00 0.78 O ATOM 1356 CB LEU A 90 -5.155 -5.134 -12.337 1.00 0.77 C ATOM 1357 CG LEU A 90 -4.369 -6.424 -12.085 1.00 1.18 C ATOM 1358 CD1 LEU A 90 -5.236 -7.655 -12.355 1.00 1.23 C ATOM 1359 CD2 LEU A 90 -3.074 -6.445 -12.898 1.00 2.65 C ATOM 0 H LEU A 90 -4.084 -4.773 -14.578 1.00 0.70 H new ATOM 0 HA LEU A 90 -6.572 -5.961 -13.660 1.00 0.69 H new ATOM 0 HB2 LEU A 90 -4.458 -4.296 -12.314 1.00 0.77 H new ATOM 0 HB3 LEU A 90 -5.854 -4.990 -11.513 1.00 0.77 H new ATOM 0 HG LEU A 90 -4.088 -6.453 -11.032 1.00 1.18 H new ATOM 0 HD11 LEU A 90 -4.654 -8.558 -12.169 1.00 1.23 H new ATOM 0 HD12 LEU A 90 -6.104 -7.640 -11.696 1.00 1.23 H new ATOM 0 HD13 LEU A 90 -5.568 -7.645 -13.393 1.00 1.23 H new ATOM 0 HD21 LEU A 90 -2.535 -7.372 -12.700 1.00 2.65 H new ATOM 0 HD22 LEU A 90 -3.310 -6.382 -13.960 1.00 2.65 H new ATOM 0 HD23 LEU A 90 -2.452 -5.596 -12.614 1.00 2.65 H new ATOM 1371 N LYS A 91 -7.858 -3.835 -12.879 1.00 0.65 N ATOM 1372 CA LYS A 91 -8.801 -2.730 -12.850 1.00 0.68 C ATOM 1373 C LYS A 91 -9.131 -2.386 -11.396 1.00 0.61 C ATOM 1374 O LYS A 91 -8.630 -3.026 -10.474 1.00 0.55 O ATOM 1375 CB LYS A 91 -10.031 -3.054 -13.699 1.00 0.93 C ATOM 1376 CG LYS A 91 -9.834 -2.600 -15.147 1.00 1.15 C ATOM 1377 CD LYS A 91 -11.170 -2.538 -15.890 1.00 1.22 C ATOM 1378 CE LYS A 91 -11.929 -1.255 -15.547 1.00 1.74 C ATOM 1379 NZ LYS A 91 -11.407 -0.118 -16.337 1.00 3.08 N ATOM 0 H LYS A 91 -8.029 -4.561 -12.183 1.00 0.65 H new ATOM 0 HA LYS A 91 -8.359 -1.839 -13.297 1.00 0.68 H new ATOM 0 HB2 LYS A 91 -10.222 -4.127 -13.673 1.00 0.93 H new ATOM 0 HB3 LYS A 91 -10.908 -2.564 -13.277 1.00 0.93 H new ATOM 0 HG2 LYS A 91 -9.360 -1.619 -15.163 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -9.161 -3.288 -15.659 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -10.995 -2.585 -16.965 1.00 1.22 H new ATOM 0 HD3 LYS A 91 -11.777 -3.405 -15.628 1.00 1.22 H new ATOM 0 HE2 LYS A 91 -12.992 -1.389 -15.749 1.00 1.74 H new ATOM 0 HE3 LYS A 91 -11.832 -1.041 -14.483 1.00 1.74 H new ATOM 0 HZ1 LYS A 91 -12.017 0.712 -16.195 1.00 3.08 H new ATOM 0 HZ2 LYS A 91 -10.440 0.106 -16.026 1.00 3.08 H new ATOM 0 HZ3 LYS A 91 -11.397 -0.372 -17.346 1.00 3.08 H new ATOM 1393 N HIS A 92 -9.972 -1.375 -11.237 1.00 0.68 N ATOM 1394 CA HIS A 92 -10.381 -0.942 -9.911 1.00 0.61 C ATOM 1395 C HIS A 92 -11.872 -1.228 -9.716 1.00 0.61 C ATOM 1396 O HIS A 92 -12.716 -0.413 -10.085 1.00 0.68 O ATOM 1397 CB HIS A 92 -10.024 0.527 -9.684 1.00 0.62 C ATOM 1398 CG HIS A 92 -8.542 0.816 -9.750 1.00 0.73 C ATOM 1399 ND1 HIS A 92 -7.586 0.375 -10.615 1.00 1.15 N flip ATOM 1400 CD2 HIS A 92 -7.901 1.648 -8.849 1.00 2.22 C flip ATOM 1401 CE1 HIS A 92 -6.423 0.909 -10.264 1.00 0.74 C flip ATOM 1402 NE2 HIS A 92 -6.616 1.699 -9.170 1.00 1.73 N flip ATOM 0 H HIS A 92 -10.382 -0.843 -12.005 1.00 0.68 H new ATOM 0 HA HIS A 92 -9.836 -1.508 -9.155 1.00 0.61 H new ATOM 0 HB2 HIS A 92 -10.536 1.134 -10.430 1.00 0.62 H new ATOM 0 HB3 HIS A 92 -10.401 0.836 -8.709 1.00 0.62 H new ATOM 0 HD2 HIS A 92 -8.368 2.167 -8.025 1.00 2.22 H new ATOM 0 HE1 HIS A 92 -5.479 0.745 -10.763 1.00 0.74 H new ATOM 0 HE2 HIS A 92 -5.898 2.235 -8.684 1.00 1.73 H new ATOM 1410 N THR A 93 -12.150 -2.386 -9.137 1.00 0.58 N ATOM 1411 CA THR A 93 -13.524 -2.817 -8.946 1.00 0.64 C ATOM 1412 C THR A 93 -14.219 -1.940 -7.903 1.00 0.55 C ATOM 1413 O THR A 93 -15.369 -1.543 -8.087 1.00 0.59 O ATOM 1414 CB THR A 93 -13.507 -4.302 -8.577 1.00 0.75 C ATOM 1415 OG1 THR A 93 -12.415 -4.421 -7.669 1.00 0.64 O ATOM 1416 CG2 THR A 93 -13.110 -5.194 -9.754 1.00 0.90 C ATOM 0 H THR A 93 -11.447 -3.040 -8.793 1.00 0.58 H new ATOM 0 HA THR A 93 -14.105 -2.701 -9.861 1.00 0.64 H new ATOM 0 HB THR A 93 -14.492 -4.597 -8.214 1.00 0.75 H new ATOM 0 HG1 THR A 93 -12.332 -5.353 -7.377 1.00 0.64 H new ATOM 0 HG21 THR A 93 -13.114 -6.237 -9.438 1.00 0.90 H new ATOM 0 HG22 THR A 93 -13.821 -5.059 -10.569 1.00 0.90 H new ATOM 0 HG23 THR A 93 -12.111 -4.922 -10.096 1.00 0.90 H new ATOM 1424 N GLY A 94 -13.491 -1.660 -6.832 1.00 0.56 N ATOM 1425 CA GLY A 94 -14.030 -0.851 -5.752 1.00 0.51 C ATOM 1426 C GLY A 94 -13.102 -0.873 -4.536 1.00 0.46 C ATOM 1427 O GLY A 94 -11.883 -0.779 -4.678 1.00 0.43 O ATOM 0 H GLY A 94 -12.533 -1.979 -6.689 1.00 0.56 H new ATOM 0 HA2 GLY A 94 -14.164 0.175 -6.093 1.00 0.51 H new ATOM 0 HA3 GLY A 94 -15.015 -1.224 -5.470 1.00 0.51 H new ATOM 1431 N PRO A 95 -13.729 -1.001 -3.336 1.00 0.49 N ATOM 1432 CA PRO A 95 -12.974 -1.020 -2.095 1.00 0.50 C ATOM 1433 C PRO A 95 -12.265 -2.363 -1.906 1.00 0.57 C ATOM 1434 O PRO A 95 -12.723 -3.387 -2.409 1.00 0.62 O ATOM 1435 CB PRO A 95 -13.996 -0.730 -1.007 1.00 0.55 C ATOM 1436 CG PRO A 95 -15.355 -1.018 -1.625 1.00 0.58 C ATOM 1437 CD PRO A 95 -15.168 -1.128 -3.130 1.00 0.54 C ATOM 0 HA PRO A 95 -12.174 -0.280 -2.078 1.00 0.50 H new ATOM 0 HB2 PRO A 95 -13.824 -1.357 -0.132 1.00 0.55 H new ATOM 0 HB3 PRO A 95 -13.930 0.306 -0.675 1.00 0.55 H new ATOM 0 HG2 PRO A 95 -15.769 -1.943 -1.223 1.00 0.58 H new ATOM 0 HG3 PRO A 95 -16.060 -0.222 -1.385 1.00 0.58 H new ATOM 0 HD2 PRO A 95 -15.539 -2.081 -3.506 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -15.714 -0.344 -3.655 1.00 0.54 H new ATOM 1445 N GLY A 96 -11.158 -2.314 -1.178 1.00 0.62 N ATOM 1446 CA GLY A 96 -10.404 -3.520 -0.883 1.00 0.69 C ATOM 1447 C GLY A 96 -9.372 -3.804 -1.975 1.00 0.76 C ATOM 1448 O GLY A 96 -8.842 -4.911 -2.061 1.00 1.13 O ATOM 0 H GLY A 96 -10.766 -1.458 -0.784 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -9.901 -3.412 0.078 1.00 0.69 H new ATOM 0 HA3 GLY A 96 -11.085 -4.366 -0.793 1.00 0.69 H new ATOM 1452 N ILE A 97 -9.118 -2.785 -2.784 1.00 0.55 N ATOM 1453 CA ILE A 97 -8.184 -2.922 -3.889 1.00 0.56 C ATOM 1454 C ILE A 97 -6.875 -2.215 -3.533 1.00 0.62 C ATOM 1455 O ILE A 97 -6.864 -1.011 -3.279 1.00 0.67 O ATOM 1456 CB ILE A 97 -8.817 -2.425 -5.190 1.00 0.53 C ATOM 1457 CG1 ILE A 97 -9.928 -3.370 -5.654 1.00 0.86 C ATOM 1458 CG2 ILE A 97 -7.755 -2.214 -6.270 1.00 0.56 C ATOM 1459 CD1 ILE A 97 -9.345 -4.597 -6.359 1.00 0.76 C ATOM 0 H ILE A 97 -9.543 -1.862 -2.696 1.00 0.55 H new ATOM 0 HA ILE A 97 -7.945 -3.972 -4.059 1.00 0.56 H new ATOM 0 HB ILE A 97 -9.278 -1.456 -4.999 1.00 0.53 H new ATOM 0 HG12 ILE A 97 -10.522 -3.687 -4.797 1.00 0.86 H new ATOM 0 HG13 ILE A 97 -10.600 -2.842 -6.331 1.00 0.86 H new ATOM 0 HG21 ILE A 97 -8.231 -1.861 -7.185 1.00 0.56 H new ATOM 0 HG22 ILE A 97 -7.031 -1.474 -5.929 1.00 0.56 H new ATOM 0 HG23 ILE A 97 -7.245 -3.157 -6.468 1.00 0.56 H new ATOM 0 HD11 ILE A 97 -10.155 -5.252 -6.679 1.00 0.76 H new ATOM 0 HD12 ILE A 97 -8.771 -4.278 -7.229 1.00 0.76 H new ATOM 0 HD13 ILE A 97 -8.693 -5.136 -5.672 1.00 0.76 H new ATOM 1471 N LEU A 98 -5.801 -2.992 -3.527 1.00 0.77 N ATOM 1472 CA LEU A 98 -4.489 -2.454 -3.214 1.00 0.85 C ATOM 1473 C LEU A 98 -3.824 -1.963 -4.502 1.00 0.73 C ATOM 1474 O LEU A 98 -3.327 -2.765 -5.293 1.00 0.81 O ATOM 1475 CB LEU A 98 -3.657 -3.483 -2.445 1.00 1.09 C ATOM 1476 CG LEU A 98 -2.365 -2.962 -1.813 1.00 1.24 C ATOM 1477 CD1 LEU A 98 -2.009 -3.761 -0.557 1.00 1.10 C ATOM 1478 CD2 LEU A 98 -1.222 -2.953 -2.830 1.00 2.12 C ATOM 0 H LEU A 98 -5.814 -3.991 -3.734 1.00 0.77 H new ATOM 0 HA LEU A 98 -4.578 -1.593 -2.552 1.00 0.85 H new ATOM 0 HB2 LEU A 98 -4.278 -3.908 -1.657 1.00 1.09 H new ATOM 0 HB3 LEU A 98 -3.404 -4.297 -3.124 1.00 1.09 H new ATOM 0 HG LEU A 98 -2.528 -1.930 -1.503 1.00 1.24 H new ATOM 0 HD11 LEU A 98 -1.087 -3.371 -0.127 1.00 1.10 H new ATOM 0 HD12 LEU A 98 -2.815 -3.672 0.171 1.00 1.10 H new ATOM 0 HD13 LEU A 98 -1.871 -4.810 -0.820 1.00 1.10 H new ATOM 0 HD21 LEU A 98 -0.315 -2.578 -2.355 1.00 2.12 H new ATOM 0 HD22 LEU A 98 -1.050 -3.966 -3.193 1.00 2.12 H new ATOM 0 HD23 LEU A 98 -1.486 -2.308 -3.668 1.00 2.12 H new ATOM 1490 N SER A 99 -3.835 -0.649 -4.673 1.00 0.74 N ATOM 1491 CA SER A 99 -3.307 -0.048 -5.886 1.00 0.66 C ATOM 1492 C SER A 99 -2.025 0.725 -5.572 1.00 0.70 C ATOM 1493 O SER A 99 -1.785 1.095 -4.424 1.00 0.92 O ATOM 1494 CB SER A 99 -4.340 0.876 -6.536 1.00 0.65 C ATOM 1495 OG SER A 99 -3.772 1.656 -7.584 1.00 1.83 O ATOM 0 H SER A 99 -4.201 0.016 -3.992 1.00 0.74 H new ATOM 0 HA SER A 99 -3.077 -0.846 -6.592 1.00 0.66 H new ATOM 0 HB2 SER A 99 -5.162 0.280 -6.932 1.00 0.65 H new ATOM 0 HB3 SER A 99 -4.762 1.537 -5.779 1.00 0.65 H new ATOM 0 HG SER A 99 -3.258 1.075 -8.182 1.00 1.83 H new ATOM 1501 N MET A 100 -1.236 0.948 -6.613 1.00 0.65 N ATOM 1502 CA MET A 100 0.026 1.649 -6.458 1.00 0.69 C ATOM 1503 C MET A 100 -0.119 3.127 -6.830 1.00 0.67 C ATOM 1504 O MET A 100 -0.993 3.491 -7.614 1.00 0.95 O ATOM 1505 CB MET A 100 1.084 1.000 -7.354 1.00 0.85 C ATOM 1506 CG MET A 100 1.776 -0.158 -6.632 1.00 1.20 C ATOM 1507 SD MET A 100 3.358 -0.491 -7.389 1.00 1.57 S ATOM 1508 CE MET A 100 4.272 0.939 -6.838 1.00 1.62 C ATOM 0 H MET A 100 -1.447 0.655 -7.567 1.00 0.65 H new ATOM 0 HA MET A 100 0.331 1.584 -5.414 1.00 0.69 H new ATOM 0 HB2 MET A 100 0.617 0.636 -8.269 1.00 0.85 H new ATOM 0 HB3 MET A 100 1.824 1.745 -7.648 1.00 0.85 H new ATOM 0 HG2 MET A 100 1.912 0.088 -5.579 1.00 1.20 H new ATOM 0 HG3 MET A 100 1.149 -1.049 -6.672 1.00 1.20 H new ATOM 0 HE1 MET A 100 4.782 1.394 -7.687 1.00 1.62 H new ATOM 0 HE2 MET A 100 3.586 1.662 -6.397 1.00 1.62 H new ATOM 0 HE3 MET A 100 5.008 0.636 -6.093 1.00 1.62 H new ATOM 1518 N ALA A 101 0.752 3.938 -6.248 1.00 0.66 N ATOM 1519 CA ALA A 101 0.700 5.374 -6.468 1.00 0.69 C ATOM 1520 C ALA A 101 1.469 5.718 -7.745 1.00 1.15 C ATOM 1521 O ALA A 101 0.900 5.715 -8.836 1.00 2.94 O ATOM 1522 CB ALA A 101 1.256 6.099 -5.241 1.00 0.82 C ATOM 0 H ALA A 101 1.498 3.629 -5.625 1.00 0.66 H new ATOM 0 HA ALA A 101 -0.330 5.704 -6.604 1.00 0.69 H new ATOM 0 HB1 ALA A 101 1.217 7.176 -5.406 1.00 0.82 H new ATOM 0 HB2 ALA A 101 0.658 5.844 -4.366 1.00 0.82 H new ATOM 0 HB3 ALA A 101 2.289 5.794 -5.076 1.00 0.82 H new ATOM 1528 N ASN A 102 2.750 6.004 -7.568 1.00 1.01 N ATOM 1529 CA ASN A 102 3.646 6.158 -8.701 1.00 1.07 C ATOM 1530 C ASN A 102 3.430 7.533 -9.335 1.00 1.10 C ATOM 1531 O ASN A 102 2.362 7.808 -9.882 1.00 1.42 O ATOM 1532 CB ASN A 102 3.371 5.097 -9.769 1.00 1.28 C ATOM 1533 CG ASN A 102 3.301 3.700 -9.149 1.00 2.77 C ATOM 1534 OD1 ASN A 102 3.493 3.511 -7.958 1.00 4.11 O ATOM 1535 ND2 ASN A 102 3.016 2.736 -10.018 1.00 3.31 N ATOM 0 H ASN A 102 3.189 6.133 -6.656 1.00 1.01 H new ATOM 0 HA ASN A 102 4.668 6.049 -8.339 1.00 1.07 H new ATOM 0 HB2 ASN A 102 2.433 5.321 -10.276 1.00 1.28 H new ATOM 0 HB3 ASN A 102 4.156 5.124 -10.525 1.00 1.28 H new ATOM 0 HD21 ASN A 102 2.946 1.769 -9.702 1.00 3.31 H new ATOM 0 HD22 ASN A 102 2.867 2.963 -11.001 1.00 3.31 H new ATOM 1542 N ALA A 103 4.460 8.362 -9.240 1.00 0.98 N ATOM 1543 CA ALA A 103 4.382 9.715 -9.764 1.00 1.04 C ATOM 1544 C ALA A 103 4.617 9.687 -11.276 1.00 1.19 C ATOM 1545 O ALA A 103 5.520 10.352 -11.780 1.00 1.46 O ATOM 1546 CB ALA A 103 5.390 10.604 -9.034 1.00 1.17 C ATOM 0 H ALA A 103 5.352 8.123 -8.808 1.00 0.98 H new ATOM 0 HA ALA A 103 3.391 10.136 -9.592 1.00 1.04 H new ATOM 0 HB1 ALA A 103 5.332 11.619 -9.427 1.00 1.17 H new ATOM 0 HB2 ALA A 103 5.162 10.614 -7.968 1.00 1.17 H new ATOM 0 HB3 ALA A 103 6.396 10.214 -9.186 1.00 1.17 H new ATOM 1552 N GLY A 104 3.789 8.908 -11.957 1.00 1.28 N ATOM 1553 CA GLY A 104 3.933 8.737 -13.392 1.00 1.54 C ATOM 1554 C GLY A 104 4.232 7.279 -13.744 1.00 1.51 C ATOM 1555 O GLY A 104 4.251 6.416 -12.867 1.00 1.32 O ATOM 0 H GLY A 104 3.016 8.388 -11.541 1.00 1.28 H new ATOM 0 HA2 GLY A 104 3.019 9.056 -13.893 1.00 1.54 H new ATOM 0 HA3 GLY A 104 4.737 9.375 -13.759 1.00 1.54 H new ATOM 1559 N PRO A 105 4.464 7.041 -15.063 1.00 1.79 N ATOM 1560 CA PRO A 105 4.735 5.698 -15.545 1.00 1.86 C ATOM 1561 C PRO A 105 6.156 5.260 -15.181 1.00 1.68 C ATOM 1562 O PRO A 105 7.118 5.978 -15.450 1.00 1.76 O ATOM 1563 CB PRO A 105 4.500 5.762 -17.045 1.00 2.27 C ATOM 1564 CG PRO A 105 4.559 7.236 -17.413 1.00 2.39 C ATOM 1565 CD PRO A 105 4.474 8.041 -16.126 1.00 2.09 C ATOM 0 HA PRO A 105 4.089 4.949 -15.086 1.00 1.86 H new ATOM 0 HB2 PRO A 105 5.258 5.194 -17.584 1.00 2.27 H new ATOM 0 HB3 PRO A 105 3.533 5.332 -17.308 1.00 2.27 H new ATOM 0 HG2 PRO A 105 5.484 7.460 -17.943 1.00 2.39 H new ATOM 0 HG3 PRO A 105 3.738 7.496 -18.081 1.00 2.39 H new ATOM 0 HD2 PRO A 105 5.323 8.717 -16.025 1.00 2.09 H new ATOM 0 HD3 PRO A 105 3.573 8.654 -16.101 1.00 2.09 H new ATOM 1573 N ASN A 106 6.242 4.085 -14.575 1.00 1.56 N ATOM 1574 CA ASN A 106 7.534 3.504 -14.250 1.00 1.46 C ATOM 1575 C ASN A 106 8.257 4.407 -13.248 1.00 1.28 C ATOM 1576 O ASN A 106 9.462 4.624 -13.360 1.00 1.35 O ATOM 1577 CB ASN A 106 8.412 3.383 -15.497 1.00 1.67 C ATOM 1578 CG ASN A 106 7.649 2.714 -16.642 1.00 2.89 C ATOM 1579 OD1 ASN A 106 6.721 1.948 -16.440 1.00 3.92 O ATOM 1580 ND2 ASN A 106 8.091 3.046 -17.852 1.00 3.38 N ATOM 0 H ASN A 106 5.439 3.520 -14.301 1.00 1.56 H new ATOM 0 HA ASN A 106 7.363 2.512 -13.832 1.00 1.46 H new ATOM 0 HB2 ASN A 106 8.747 4.373 -15.808 1.00 1.67 H new ATOM 0 HB3 ASN A 106 9.305 2.803 -15.263 1.00 1.67 H new ATOM 0 HD21 ASN A 106 7.648 2.653 -18.682 1.00 3.38 H new ATOM 0 HD22 ASN A 106 8.873 3.694 -17.949 1.00 3.38 H new ATOM 1587 N THR A 107 7.490 4.908 -12.292 1.00 1.19 N ATOM 1588 CA THR A 107 8.065 5.658 -11.188 1.00 1.14 C ATOM 1589 C THR A 107 7.745 4.976 -9.855 1.00 1.13 C ATOM 1590 O THR A 107 7.920 5.568 -8.793 1.00 1.56 O ATOM 1591 CB THR A 107 7.550 7.096 -11.273 1.00 1.23 C ATOM 1592 OG1 THR A 107 6.223 7.020 -10.759 1.00 2.89 O ATOM 1593 CG2 THR A 107 7.363 7.566 -12.717 1.00 2.56 C ATOM 0 H THR A 107 6.475 4.810 -12.258 1.00 1.19 H new ATOM 0 HA THR A 107 9.153 5.683 -11.252 1.00 1.14 H new ATOM 0 HB THR A 107 8.245 7.762 -10.761 1.00 1.23 H new ATOM 0 HG1 THR A 107 5.600 6.820 -11.489 1.00 2.89 H new ATOM 0 HG21 THR A 107 6.996 8.592 -12.721 1.00 2.56 H new ATOM 0 HG22 THR A 107 8.318 7.520 -13.241 1.00 2.56 H new ATOM 0 HG23 THR A 107 6.642 6.921 -13.219 1.00 2.56 H new ATOM 1601 N ASN A 108 7.282 3.739 -9.958 1.00 1.15 N ATOM 1602 CA ASN A 108 7.089 2.913 -8.778 1.00 1.30 C ATOM 1603 C ASN A 108 8.195 3.212 -7.765 1.00 1.33 C ATOM 1604 O ASN A 108 9.377 3.177 -8.102 1.00 1.93 O ATOM 1605 CB ASN A 108 7.160 1.425 -9.130 1.00 2.13 C ATOM 1606 CG ASN A 108 7.523 0.588 -7.902 1.00 3.79 C ATOM 1607 OD1 ASN A 108 6.715 -0.148 -7.359 1.00 4.62 O ATOM 1608 ND2 ASN A 108 8.780 0.740 -7.494 1.00 5.21 N ATOM 0 H ASN A 108 7.035 3.289 -10.839 1.00 1.15 H new ATOM 0 HA ASN A 108 6.106 3.140 -8.365 1.00 1.30 H new ATOM 0 HB2 ASN A 108 6.200 1.096 -9.528 1.00 2.13 H new ATOM 0 HB3 ASN A 108 7.901 1.268 -9.914 1.00 2.13 H new ATOM 0 HD21 ASN A 108 9.118 0.224 -6.682 1.00 5.21 H new ATOM 0 HD22 ASN A 108 9.405 1.372 -7.993 1.00 5.21 H new ATOM 1615 N GLY A 109 7.772 3.500 -6.542 1.00 1.40 N ATOM 1616 CA GLY A 109 8.710 3.674 -5.448 1.00 2.05 C ATOM 1617 C GLY A 109 8.357 2.760 -4.271 1.00 1.85 C ATOM 1618 O GLY A 109 8.773 3.008 -3.141 1.00 3.25 O ATOM 0 H GLY A 109 6.792 3.617 -6.286 1.00 1.40 H new ATOM 0 HA2 GLY A 109 9.721 3.455 -5.793 1.00 2.05 H new ATOM 0 HA3 GLY A 109 8.703 4.714 -5.120 1.00 2.05 H new ATOM 1622 N SER A 110 7.592 1.722 -4.579 1.00 1.12 N ATOM 1623 CA SER A 110 7.203 0.753 -3.569 1.00 1.23 C ATOM 1624 C SER A 110 6.281 1.413 -2.541 1.00 1.27 C ATOM 1625 O SER A 110 6.340 1.093 -1.355 1.00 2.38 O ATOM 1626 CB SER A 110 8.430 0.157 -2.876 1.00 1.77 C ATOM 1627 OG SER A 110 9.484 -0.114 -3.796 1.00 3.22 O ATOM 0 H SER A 110 7.231 1.531 -5.514 1.00 1.12 H new ATOM 0 HA SER A 110 6.668 -0.059 -4.061 1.00 1.23 H new ATOM 0 HB2 SER A 110 8.785 0.847 -2.111 1.00 1.77 H new ATOM 0 HB3 SER A 110 8.147 -0.765 -2.367 1.00 1.77 H new ATOM 0 HG SER A 110 10.232 0.495 -3.625 1.00 3.22 H new ATOM 1633 N GLN A 111 5.451 2.320 -3.034 1.00 1.20 N ATOM 1634 CA GLN A 111 4.458 2.962 -2.190 1.00 1.23 C ATOM 1635 C GLN A 111 3.048 2.654 -2.699 1.00 1.23 C ATOM 1636 O GLN A 111 2.628 3.179 -3.729 1.00 1.86 O ATOM 1637 CB GLN A 111 4.696 4.472 -2.115 1.00 1.38 C ATOM 1638 CG GLN A 111 3.648 5.149 -1.229 1.00 2.67 C ATOM 1639 CD GLN A 111 3.538 6.641 -1.551 1.00 3.81 C ATOM 1640 OE1 GLN A 111 4.522 7.353 -1.663 1.00 4.00 O ATOM 1641 NE2 GLN A 111 2.288 7.071 -1.695 1.00 5.48 N ATOM 0 H GLN A 111 5.446 2.626 -4.007 1.00 1.20 H new ATOM 0 HA GLN A 111 4.554 2.561 -1.181 1.00 1.23 H new ATOM 0 HB2 GLN A 111 5.693 4.667 -1.720 1.00 1.38 H new ATOM 0 HB3 GLN A 111 4.661 4.899 -3.117 1.00 1.38 H new ATOM 0 HG2 GLN A 111 2.680 4.670 -1.374 1.00 2.67 H new ATOM 0 HG3 GLN A 111 3.914 5.018 -0.180 1.00 2.67 H new ATOM 0 HE21 GLN A 111 1.509 6.421 -1.588 1.00 5.48 H new ATOM 0 HE22 GLN A 111 2.108 8.051 -1.913 1.00 5.48 H new ATOM 1650 N PHE A 112 2.358 1.804 -1.954 1.00 0.88 N ATOM 1651 CA PHE A 112 1.008 1.412 -2.322 1.00 0.80 C ATOM 1652 C PHE A 112 -0.014 1.973 -1.331 1.00 0.79 C ATOM 1653 O PHE A 112 0.343 2.374 -0.225 1.00 1.12 O ATOM 1654 CB PHE A 112 0.958 -0.116 -2.279 1.00 0.99 C ATOM 1655 CG PHE A 112 1.272 -0.711 -0.905 1.00 1.23 C ATOM 1656 CD1 PHE A 112 0.288 -0.834 0.025 1.00 2.24 C ATOM 1657 CD2 PHE A 112 2.537 -1.116 -0.613 1.00 1.94 C ATOM 1658 CE1 PHE A 112 0.580 -1.386 1.300 1.00 2.74 C ATOM 1659 CE2 PHE A 112 2.830 -1.667 0.663 1.00 2.26 C ATOM 1660 CZ PHE A 112 1.845 -1.791 1.592 1.00 2.29 C ATOM 0 H PHE A 112 2.708 1.376 -1.097 1.00 0.88 H new ATOM 0 HA PHE A 112 0.765 1.798 -3.312 1.00 0.80 H new ATOM 0 HB2 PHE A 112 -0.034 -0.446 -2.588 1.00 0.99 H new ATOM 0 HB3 PHE A 112 1.667 -0.513 -3.006 1.00 0.99 H new ATOM 0 HD1 PHE A 112 -0.716 -0.512 -0.206 1.00 2.24 H new ATOM 0 HD2 PHE A 112 3.319 -1.019 -1.351 1.00 1.94 H new ATOM 0 HE1 PHE A 112 -0.202 -1.484 2.038 1.00 2.74 H new ATOM 0 HE2 PHE A 112 3.835 -1.987 0.895 1.00 2.26 H new ATOM 0 HZ PHE A 112 2.067 -2.211 2.562 1.00 2.29 H new ATOM 1670 N PHE A 113 -1.267 1.982 -1.763 1.00 0.74 N ATOM 1671 CA PHE A 113 -2.349 2.448 -0.913 1.00 0.93 C ATOM 1672 C PHE A 113 -3.589 1.564 -1.068 1.00 0.88 C ATOM 1673 O PHE A 113 -3.899 1.114 -2.170 1.00 1.37 O ATOM 1674 CB PHE A 113 -2.692 3.869 -1.364 1.00 1.34 C ATOM 1675 CG PHE A 113 -3.338 3.945 -2.749 1.00 1.80 C ATOM 1676 CD1 PHE A 113 -4.685 3.816 -2.878 1.00 3.21 C ATOM 1677 CD2 PHE A 113 -2.565 4.140 -3.850 1.00 2.63 C ATOM 1678 CE1 PHE A 113 -5.285 3.886 -4.162 1.00 4.77 C ATOM 1679 CE2 PHE A 113 -3.165 4.211 -5.135 1.00 4.35 C ATOM 1680 CZ PHE A 113 -4.512 4.082 -5.264 1.00 5.22 C ATOM 0 H PHE A 113 -1.557 1.674 -2.691 1.00 0.74 H new ATOM 0 HA PHE A 113 -2.041 2.415 0.132 1.00 0.93 H new ATOM 0 HB2 PHE A 113 -3.367 4.317 -0.635 1.00 1.34 H new ATOM 0 HB3 PHE A 113 -1.781 4.468 -1.366 1.00 1.34 H new ATOM 0 HD1 PHE A 113 -5.299 3.660 -2.003 1.00 3.21 H new ATOM 0 HD2 PHE A 113 -1.495 4.241 -3.747 1.00 2.63 H new ATOM 0 HE1 PHE A 113 -6.355 3.784 -4.264 1.00 4.77 H new ATOM 0 HE2 PHE A 113 -2.551 4.367 -6.010 1.00 4.35 H new ATOM 0 HZ PHE A 113 -4.968 4.135 -6.241 1.00 5.22 H new ATOM 1690 N ILE A 114 -4.263 1.343 0.050 1.00 0.97 N ATOM 1691 CA ILE A 114 -5.455 0.513 0.054 1.00 0.92 C ATOM 1692 C ILE A 114 -6.670 1.372 -0.303 1.00 0.85 C ATOM 1693 O ILE A 114 -7.117 2.187 0.501 1.00 1.20 O ATOM 1694 CB ILE A 114 -5.593 -0.221 1.390 1.00 0.99 C ATOM 1695 CG1 ILE A 114 -4.398 -1.146 1.632 1.00 1.07 C ATOM 1696 CG2 ILE A 114 -6.924 -0.972 1.468 1.00 1.10 C ATOM 1697 CD1 ILE A 114 -4.135 -1.320 3.130 1.00 1.13 C ATOM 0 H ILE A 114 -4.006 1.725 0.960 1.00 0.97 H new ATOM 0 HA ILE A 114 -5.379 -0.266 -0.705 1.00 0.92 H new ATOM 0 HB ILE A 114 -5.594 0.520 2.189 1.00 0.99 H new ATOM 0 HG12 ILE A 114 -4.588 -2.118 1.177 1.00 1.07 H new ATOM 0 HG13 ILE A 114 -3.512 -0.735 1.149 1.00 1.07 H new ATOM 0 HG21 ILE A 114 -6.997 -1.485 2.427 1.00 1.10 H new ATOM 0 HG22 ILE A 114 -7.747 -0.264 1.372 1.00 1.10 H new ATOM 0 HG23 ILE A 114 -6.977 -1.703 0.661 1.00 1.10 H new ATOM 0 HD11 ILE A 114 -3.281 -1.982 3.275 1.00 1.13 H new ATOM 0 HD12 ILE A 114 -3.922 -0.349 3.577 1.00 1.13 H new ATOM 0 HD13 ILE A 114 -5.015 -1.753 3.606 1.00 1.13 H new ATOM 1709 N CYS A 115 -7.170 1.158 -1.512 1.00 0.68 N ATOM 1710 CA CYS A 115 -8.332 1.895 -1.982 1.00 0.63 C ATOM 1711 C CYS A 115 -9.560 1.387 -1.224 1.00 0.62 C ATOM 1712 O CYS A 115 -9.909 0.211 -1.317 1.00 0.76 O ATOM 1713 CB CYS A 115 -8.505 1.770 -3.497 1.00 0.73 C ATOM 1714 SG CYS A 115 -9.184 3.328 -4.178 1.00 1.95 S ATOM 0 H CYS A 115 -6.792 0.486 -2.180 1.00 0.68 H new ATOM 0 HA CYS A 115 -8.197 2.958 -1.784 1.00 0.63 H new ATOM 0 HB2 CYS A 115 -7.546 1.547 -3.964 1.00 0.73 H new ATOM 0 HB3 CYS A 115 -9.173 0.940 -3.728 1.00 0.73 H new ATOM 0 HG CYS A 115 -10.476 3.229 -4.282 1.00 1.95 H new ATOM 1720 N THR A 116 -10.183 2.299 -0.493 1.00 0.59 N ATOM 1721 CA THR A 116 -11.343 1.951 0.309 1.00 0.64 C ATOM 1722 C THR A 116 -12.625 2.434 -0.370 1.00 0.55 C ATOM 1723 O THR A 116 -13.633 2.673 0.295 1.00 0.61 O ATOM 1724 CB THR A 116 -11.141 2.532 1.710 1.00 0.79 C ATOM 1725 OG1 THR A 116 -9.726 2.624 1.848 1.00 1.41 O ATOM 1726 CG2 THR A 116 -11.561 1.560 2.814 1.00 1.15 C ATOM 0 H THR A 116 -9.906 3.279 -0.439 1.00 0.59 H new ATOM 0 HA THR A 116 -11.450 0.870 0.402 1.00 0.64 H new ATOM 0 HB THR A 116 -11.711 3.456 1.804 1.00 0.79 H new ATOM 0 HG1 THR A 116 -9.507 3.018 2.718 1.00 1.41 H new ATOM 0 HG21 THR A 116 -11.397 2.022 3.787 1.00 1.15 H new ATOM 0 HG22 THR A 116 -12.617 1.316 2.702 1.00 1.15 H new ATOM 0 HG23 THR A 116 -10.968 0.648 2.741 1.00 1.15 H new ATOM 1734 N ALA A 117 -12.547 2.566 -1.686 1.00 0.54 N ATOM 1735 CA ALA A 117 -13.696 2.993 -2.465 1.00 0.53 C ATOM 1736 C ALA A 117 -13.382 2.840 -3.955 1.00 0.60 C ATOM 1737 O ALA A 117 -12.245 2.553 -4.327 1.00 0.65 O ATOM 1738 CB ALA A 117 -14.061 4.431 -2.091 1.00 0.58 C ATOM 0 H ALA A 117 -11.705 2.385 -2.232 1.00 0.54 H new ATOM 0 HA ALA A 117 -14.562 2.369 -2.245 1.00 0.53 H new ATOM 0 HB1 ALA A 117 -14.923 4.751 -2.676 1.00 0.58 H new ATOM 0 HB2 ALA A 117 -14.304 4.480 -1.030 1.00 0.58 H new ATOM 0 HB3 ALA A 117 -13.216 5.087 -2.301 1.00 0.58 H new ATOM 1744 N LYS A 118 -14.409 3.040 -4.767 1.00 0.70 N ATOM 1745 CA LYS A 118 -14.255 2.935 -6.208 1.00 0.85 C ATOM 1746 C LYS A 118 -13.664 4.239 -6.749 1.00 0.65 C ATOM 1747 O LYS A 118 -14.254 5.306 -6.590 1.00 0.88 O ATOM 1748 CB LYS A 118 -15.582 2.545 -6.862 1.00 1.24 C ATOM 1749 CG LYS A 118 -15.376 2.147 -8.325 1.00 1.59 C ATOM 1750 CD LYS A 118 -16.653 1.543 -8.914 1.00 1.93 C ATOM 1751 CE LYS A 118 -16.429 1.088 -10.358 1.00 2.69 C ATOM 1752 NZ LYS A 118 -15.526 -0.085 -10.397 1.00 4.19 N ATOM 0 H LYS A 118 -15.351 3.274 -4.455 1.00 0.70 H new ATOM 0 HA LYS A 118 -13.556 2.138 -6.459 1.00 0.85 H new ATOM 0 HB2 LYS A 118 -16.031 1.716 -6.316 1.00 1.24 H new ATOM 0 HB3 LYS A 118 -16.280 3.380 -6.803 1.00 1.24 H new ATOM 0 HG2 LYS A 118 -15.082 3.021 -8.905 1.00 1.59 H new ATOM 0 HG3 LYS A 118 -14.561 1.427 -8.398 1.00 1.59 H new ATOM 0 HD2 LYS A 118 -16.972 0.696 -8.307 1.00 1.93 H new ATOM 0 HD3 LYS A 118 -17.456 2.279 -8.881 1.00 1.93 H new ATOM 0 HE2 LYS A 118 -17.384 0.835 -10.818 1.00 2.69 H new ATOM 0 HE3 LYS A 118 -16.001 1.904 -10.940 1.00 2.69 H new ATOM 0 HZ1 LYS A 118 -15.669 -0.604 -11.287 1.00 4.19 H new ATOM 0 HZ2 LYS A 118 -14.538 0.235 -10.338 1.00 4.19 H new ATOM 0 HZ3 LYS A 118 -15.736 -0.711 -9.594 1.00 4.19 H new ATOM 1766 N THR A 119 -12.505 4.109 -7.379 1.00 0.64 N ATOM 1767 CA THR A 119 -11.834 5.260 -7.958 1.00 0.64 C ATOM 1768 C THR A 119 -11.499 4.999 -9.427 1.00 0.64 C ATOM 1769 O THR A 119 -10.426 4.487 -9.741 1.00 0.69 O ATOM 1770 CB THR A 119 -10.607 5.572 -7.099 1.00 0.84 C ATOM 1771 OG1 THR A 119 -9.854 4.363 -7.119 1.00 1.10 O ATOM 1772 CG2 THR A 119 -10.958 5.770 -5.624 1.00 0.79 C ATOM 0 H THR A 119 -12.014 3.223 -7.501 1.00 0.64 H new ATOM 0 HA THR A 119 -12.480 6.138 -7.957 1.00 0.64 H new ATOM 0 HB THR A 119 -10.118 6.470 -7.477 1.00 0.84 H new ATOM 0 HG1 THR A 119 -9.667 4.079 -6.200 1.00 1.10 H new ATOM 0 HG21 THR A 119 -10.051 5.989 -5.060 1.00 0.79 H new ATOM 0 HG22 THR A 119 -11.656 6.601 -5.525 1.00 0.79 H new ATOM 0 HG23 THR A 119 -11.417 4.862 -5.234 1.00 0.79 H new ATOM 1780 N GLU A 120 -12.437 5.365 -10.289 1.00 0.68 N ATOM 1781 CA GLU A 120 -12.314 5.056 -11.704 1.00 0.74 C ATOM 1782 C GLU A 120 -11.330 6.017 -12.374 1.00 0.71 C ATOM 1783 O GLU A 120 -10.891 5.778 -13.497 1.00 0.79 O ATOM 1784 CB GLU A 120 -13.679 5.101 -12.394 1.00 0.99 C ATOM 1785 CG GLU A 120 -14.160 6.543 -12.566 1.00 1.86 C ATOM 1786 CD GLU A 120 -15.627 6.583 -12.997 1.00 2.40 C ATOM 1787 OE1 GLU A 120 -16.481 6.262 -12.141 1.00 2.56 O ATOM 1788 OE2 GLU A 120 -15.864 6.934 -14.173 1.00 3.59 O ATOM 0 H GLU A 120 -13.285 5.872 -10.035 1.00 0.68 H new ATOM 0 HA GLU A 120 -11.925 4.042 -11.803 1.00 0.74 H new ATOM 0 HB2 GLU A 120 -13.614 4.617 -13.369 1.00 0.99 H new ATOM 0 HB3 GLU A 120 -14.406 4.539 -11.807 1.00 0.99 H new ATOM 0 HG2 GLU A 120 -14.038 7.085 -11.628 1.00 1.86 H new ATOM 0 HG3 GLU A 120 -13.545 7.049 -13.310 1.00 1.86 H new ATOM 1795 N TRP A 121 -11.010 7.083 -11.655 1.00 0.69 N ATOM 1796 CA TRP A 121 -10.139 8.114 -12.192 1.00 0.73 C ATOM 1797 C TRP A 121 -8.692 7.695 -11.930 1.00 0.69 C ATOM 1798 O TRP A 121 -7.760 8.310 -12.445 1.00 0.84 O ATOM 1799 CB TRP A 121 -10.481 9.483 -11.601 1.00 0.80 C ATOM 1800 CG TRP A 121 -9.957 9.696 -10.179 1.00 0.76 C ATOM 1801 CD1 TRP A 121 -8.748 10.134 -9.803 1.00 0.78 C ATOM 1802 CD2 TRP A 121 -10.679 9.461 -8.952 1.00 0.73 C ATOM 1803 NE1 TRP A 121 -8.638 10.198 -8.428 1.00 0.77 N ATOM 1804 CE2 TRP A 121 -9.850 9.776 -7.895 1.00 0.74 C ATOM 1805 CE3 TRP A 121 -11.990 8.998 -8.743 1.00 0.76 C ATOM 1806 CZ2 TRP A 121 -10.240 9.661 -6.555 1.00 0.76 C ATOM 1807 CZ3 TRP A 121 -12.365 8.889 -7.398 1.00 0.78 C ATOM 1808 CH2 TRP A 121 -11.541 9.201 -6.322 1.00 0.77 C ATOM 0 H TRP A 121 -11.339 7.255 -10.705 1.00 0.69 H new ATOM 0 HA TRP A 121 -10.282 8.217 -13.268 1.00 0.73 H new ATOM 0 HB2 TRP A 121 -10.072 10.259 -12.248 1.00 0.80 H new ATOM 0 HB3 TRP A 121 -11.564 9.607 -11.600 1.00 0.80 H new ATOM 0 HD1 TRP A 121 -7.959 10.403 -10.489 1.00 0.78 H new ATOM 0 HE1 TRP A 121 -7.818 10.499 -7.901 1.00 0.77 H new ATOM 0 HE3 TRP A 121 -12.655 8.746 -9.556 1.00 0.76 H new ATOM 0 HZ2 TRP A 121 -9.572 9.914 -5.745 1.00 0.76 H new ATOM 0 HZ3 TRP A 121 -13.363 8.538 -7.181 1.00 0.78 H new ATOM 0 HH2 TRP A 121 -11.904 9.089 -5.311 1.00 0.77 H new ATOM 1819 N LEU A 122 -8.548 6.649 -11.129 1.00 0.55 N ATOM 1820 CA LEU A 122 -7.237 6.083 -10.865 1.00 0.57 C ATOM 1821 C LEU A 122 -7.065 4.801 -11.681 1.00 0.62 C ATOM 1822 O LEU A 122 -5.946 4.330 -11.878 1.00 0.83 O ATOM 1823 CB LEU A 122 -7.030 5.886 -9.361 1.00 0.57 C ATOM 1824 CG LEU A 122 -7.149 7.143 -8.498 1.00 0.59 C ATOM 1825 CD1 LEU A 122 -7.108 6.793 -7.010 1.00 0.66 C ATOM 1826 CD2 LEU A 122 -6.079 8.171 -8.875 1.00 0.70 C ATOM 0 H LEU A 122 -9.319 6.179 -10.654 1.00 0.55 H new ATOM 0 HA LEU A 122 -6.455 6.772 -11.184 1.00 0.57 H new ATOM 0 HB2 LEU A 122 -7.758 5.156 -9.007 1.00 0.57 H new ATOM 0 HB3 LEU A 122 -6.042 5.454 -9.204 1.00 0.57 H new ATOM 0 HG LEU A 122 -8.119 7.601 -8.694 1.00 0.59 H new ATOM 0 HD11 LEU A 122 -7.194 7.705 -6.419 1.00 0.66 H new ATOM 0 HD12 LEU A 122 -7.936 6.125 -6.770 1.00 0.66 H new ATOM 0 HD13 LEU A 122 -6.165 6.299 -6.778 1.00 0.66 H new ATOM 0 HD21 LEU A 122 -6.186 9.055 -8.246 1.00 0.70 H new ATOM 0 HD22 LEU A 122 -5.090 7.738 -8.726 1.00 0.70 H new ATOM 0 HD23 LEU A 122 -6.198 8.453 -9.921 1.00 0.70 H new ATOM 1838 N ASP A 123 -8.192 4.271 -12.135 1.00 0.65 N ATOM 1839 CA ASP A 123 -8.203 2.964 -12.768 1.00 0.75 C ATOM 1840 C ASP A 123 -7.257 2.975 -13.970 1.00 0.95 C ATOM 1841 O ASP A 123 -6.308 2.194 -14.025 1.00 2.12 O ATOM 1842 CB ASP A 123 -9.603 2.607 -13.272 1.00 0.81 C ATOM 1843 CG ASP A 123 -9.696 1.289 -14.045 1.00 0.87 C ATOM 1844 OD1 ASP A 123 -9.929 0.257 -13.380 1.00 2.14 O ATOM 1845 OD2 ASP A 123 -9.532 1.346 -15.282 1.00 1.76 O ATOM 0 H ASP A 123 -9.104 4.724 -12.077 1.00 0.65 H new ATOM 0 HA ASP A 123 -7.888 2.229 -12.027 1.00 0.75 H new ATOM 0 HB2 ASP A 123 -10.279 2.558 -12.418 1.00 0.81 H new ATOM 0 HB3 ASP A 123 -9.958 3.413 -13.914 1.00 0.81 H new ATOM 1850 N GLY A 124 -7.547 3.869 -14.903 1.00 1.36 N ATOM 1851 CA GLY A 124 -6.808 3.914 -16.153 1.00 1.55 C ATOM 1852 C GLY A 124 -5.560 4.789 -16.021 1.00 1.61 C ATOM 1853 O GLY A 124 -5.410 5.775 -16.741 1.00 2.35 O ATOM 0 H GLY A 124 -8.284 4.569 -14.818 1.00 1.36 H new ATOM 0 HA2 GLY A 124 -6.519 2.904 -16.445 1.00 1.55 H new ATOM 0 HA3 GLY A 124 -7.448 4.304 -16.944 1.00 1.55 H new ATOM 1857 N LYS A 125 -4.698 4.398 -15.094 1.00 1.24 N ATOM 1858 CA LYS A 125 -3.501 5.174 -14.812 1.00 1.31 C ATOM 1859 C LYS A 125 -2.614 4.395 -13.838 1.00 1.25 C ATOM 1860 O LYS A 125 -1.419 4.230 -14.077 1.00 1.52 O ATOM 1861 CB LYS A 125 -3.873 6.574 -14.321 1.00 1.34 C ATOM 1862 CG LYS A 125 -3.232 7.651 -15.200 1.00 2.04 C ATOM 1863 CD LYS A 125 -1.720 7.712 -14.977 1.00 3.16 C ATOM 1864 CE LYS A 125 -1.350 8.870 -14.047 1.00 3.85 C ATOM 1865 NZ LYS A 125 -1.816 8.597 -12.669 1.00 4.62 N ATOM 0 H LYS A 125 -4.804 3.555 -14.529 1.00 1.24 H new ATOM 0 HA LYS A 125 -2.921 5.326 -15.722 1.00 1.31 H new ATOM 0 HB2 LYS A 125 -4.957 6.690 -14.329 1.00 1.34 H new ATOM 0 HB3 LYS A 125 -3.547 6.700 -13.289 1.00 1.34 H new ATOM 0 HG2 LYS A 125 -3.440 7.441 -16.249 1.00 2.04 H new ATOM 0 HG3 LYS A 125 -3.676 8.621 -14.975 1.00 2.04 H new ATOM 0 HD2 LYS A 125 -1.374 6.772 -14.548 1.00 3.16 H new ATOM 0 HD3 LYS A 125 -1.212 7.833 -15.934 1.00 3.16 H new ATOM 0 HE2 LYS A 125 -0.270 9.016 -14.050 1.00 3.85 H new ATOM 0 HE3 LYS A 125 -1.797 9.795 -14.412 1.00 3.85 H new ATOM 0 HZ1 LYS A 125 -1.414 9.304 -12.020 1.00 4.62 H new ATOM 0 HZ2 LYS A 125 -2.854 8.648 -12.637 1.00 4.62 H new ATOM 0 HZ3 LYS A 125 -1.507 7.647 -12.380 1.00 4.62 H new ATOM 1879 N HIS A 126 -3.233 3.939 -12.758 1.00 1.00 N ATOM 1880 CA HIS A 126 -2.484 3.377 -11.647 1.00 0.95 C ATOM 1881 C HIS A 126 -2.408 1.856 -11.797 1.00 0.96 C ATOM 1882 O HIS A 126 -3.166 1.265 -12.564 1.00 1.80 O ATOM 1883 CB HIS A 126 -3.088 3.812 -10.311 1.00 0.93 C ATOM 1884 CG HIS A 126 -2.842 5.261 -9.968 1.00 1.04 C ATOM 1885 ND1 HIS A 126 -1.889 5.663 -9.049 1.00 0.94 N ATOM 1886 CD2 HIS A 126 -3.434 6.400 -10.432 1.00 2.40 C ATOM 1887 CE1 HIS A 126 -1.915 6.986 -8.971 1.00 0.74 C ATOM 1888 NE2 HIS A 126 -2.874 7.440 -9.828 1.00 1.95 N ATOM 0 H HIS A 126 -4.245 3.948 -12.629 1.00 1.00 H new ATOM 0 HA HIS A 126 -1.463 3.760 -11.660 1.00 0.95 H new ATOM 0 HB2 HIS A 126 -4.163 3.632 -10.334 1.00 0.93 H new ATOM 0 HB3 HIS A 126 -2.678 3.187 -9.518 1.00 0.93 H new ATOM 0 HD1 HIS A 126 -1.271 5.046 -8.521 1.00 0.94 H new ATOM 0 HD2 HIS A 126 -4.224 6.447 -11.166 1.00 2.40 H new ATOM 0 HE1 HIS A 126 -1.287 7.597 -8.340 1.00 0.74 H new ATOM 1896 N VAL A 127 -1.484 1.266 -11.052 1.00 0.66 N ATOM 1897 CA VAL A 127 -1.262 -0.167 -11.132 1.00 0.62 C ATOM 1898 C VAL A 127 -1.972 -0.855 -9.963 1.00 0.62 C ATOM 1899 O VAL A 127 -2.168 -0.250 -8.911 1.00 0.89 O ATOM 1900 CB VAL A 127 0.239 -0.463 -11.178 1.00 0.73 C ATOM 1901 CG1 VAL A 127 0.513 -1.947 -10.931 1.00 0.85 C ATOM 1902 CG2 VAL A 127 0.846 -0.006 -12.506 1.00 0.81 C ATOM 0 H VAL A 127 -0.881 1.755 -10.390 1.00 0.66 H new ATOM 0 HA VAL A 127 -1.687 -0.568 -12.052 1.00 0.62 H new ATOM 0 HB VAL A 127 0.717 0.103 -10.378 1.00 0.73 H new ATOM 0 HG11 VAL A 127 1.587 -2.130 -10.969 1.00 0.85 H new ATOM 0 HG12 VAL A 127 0.131 -2.229 -9.950 1.00 0.85 H new ATOM 0 HG13 VAL A 127 0.016 -2.541 -11.698 1.00 0.85 H new ATOM 0 HG21 VAL A 127 1.913 -0.227 -12.514 1.00 0.81 H new ATOM 0 HG22 VAL A 127 0.360 -0.532 -13.328 1.00 0.81 H new ATOM 0 HG23 VAL A 127 0.697 1.067 -12.624 1.00 0.81 H new ATOM 1912 N VAL A 128 -2.336 -2.108 -10.189 1.00 0.67 N ATOM 1913 CA VAL A 128 -2.904 -2.925 -9.129 1.00 0.72 C ATOM 1914 C VAL A 128 -2.244 -4.305 -9.146 1.00 0.82 C ATOM 1915 O VAL A 128 -2.311 -5.017 -10.147 1.00 0.86 O ATOM 1916 CB VAL A 128 -4.425 -2.987 -9.276 1.00 0.74 C ATOM 1917 CG1 VAL A 128 -5.069 -3.625 -8.043 1.00 0.88 C ATOM 1918 CG2 VAL A 128 -5.008 -1.598 -9.541 1.00 0.67 C ATOM 0 H VAL A 128 -2.249 -2.578 -11.090 1.00 0.67 H new ATOM 0 HA VAL A 128 -2.703 -2.481 -8.154 1.00 0.72 H new ATOM 0 HB VAL A 128 -4.653 -3.615 -10.137 1.00 0.74 H new ATOM 0 HG11 VAL A 128 -6.151 -3.657 -8.173 1.00 0.88 H new ATOM 0 HG12 VAL A 128 -4.688 -4.639 -7.917 1.00 0.88 H new ATOM 0 HG13 VAL A 128 -4.827 -3.034 -7.159 1.00 0.88 H new ATOM 0 HG21 VAL A 128 -6.091 -1.671 -9.641 1.00 0.67 H new ATOM 0 HG22 VAL A 128 -4.764 -0.937 -8.710 1.00 0.67 H new ATOM 0 HG23 VAL A 128 -4.585 -1.195 -10.461 1.00 0.67 H new ATOM 1928 N PHE A 129 -1.624 -4.643 -8.025 1.00 0.96 N ATOM 1929 CA PHE A 129 -0.899 -5.897 -7.921 1.00 1.05 C ATOM 1930 C PHE A 129 -1.311 -6.666 -6.663 1.00 1.00 C ATOM 1931 O PHE A 129 -0.772 -7.735 -6.380 1.00 0.95 O ATOM 1932 CB PHE A 129 0.587 -5.548 -7.824 1.00 1.21 C ATOM 1933 CG PHE A 129 1.026 -5.067 -6.440 1.00 1.89 C ATOM 1934 CD1 PHE A 129 0.852 -3.766 -6.085 1.00 2.75 C ATOM 1935 CD2 PHE A 129 1.591 -5.941 -5.565 1.00 2.92 C ATOM 1936 CE1 PHE A 129 1.258 -3.320 -4.799 1.00 3.57 C ATOM 1937 CE2 PHE A 129 1.998 -5.495 -4.279 1.00 3.73 C ATOM 1938 CZ PHE A 129 1.823 -4.194 -3.923 1.00 3.73 C ATOM 0 H PHE A 129 -1.609 -4.070 -7.181 1.00 0.96 H new ATOM 0 HA PHE A 129 -1.115 -6.524 -8.786 1.00 1.05 H new ATOM 0 HB2 PHE A 129 1.174 -6.426 -8.095 1.00 1.21 H new ATOM 0 HB3 PHE A 129 0.816 -4.773 -8.556 1.00 1.21 H new ATOM 0 HD1 PHE A 129 0.405 -3.072 -6.781 1.00 2.75 H new ATOM 0 HD2 PHE A 129 1.730 -6.974 -5.848 1.00 2.92 H new ATOM 0 HE1 PHE A 129 1.118 -2.287 -4.517 1.00 3.57 H new ATOM 0 HE2 PHE A 129 2.447 -6.189 -3.584 1.00 3.73 H new ATOM 0 HZ PHE A 129 2.132 -3.855 -2.945 1.00 3.73 H new ATOM 1948 N GLY A 130 -2.263 -6.092 -5.943 1.00 1.25 N ATOM 1949 CA GLY A 130 -2.641 -6.621 -4.644 1.00 1.43 C ATOM 1950 C GLY A 130 -4.145 -6.464 -4.403 1.00 1.13 C ATOM 1951 O GLY A 130 -4.789 -5.614 -5.016 1.00 1.02 O ATOM 0 H GLY A 130 -2.784 -5.265 -6.235 1.00 1.25 H new ATOM 0 HA2 GLY A 130 -2.368 -7.674 -4.583 1.00 1.43 H new ATOM 0 HA3 GLY A 130 -2.088 -6.102 -3.861 1.00 1.43 H new ATOM 1955 N LYS A 131 -4.659 -7.297 -3.511 1.00 1.06 N ATOM 1956 CA LYS A 131 -6.065 -7.233 -3.150 1.00 0.88 C ATOM 1957 C LYS A 131 -6.230 -7.648 -1.686 1.00 0.80 C ATOM 1958 O LYS A 131 -5.598 -8.600 -1.232 1.00 0.88 O ATOM 1959 CB LYS A 131 -6.906 -8.062 -4.123 1.00 1.05 C ATOM 1960 CG LYS A 131 -8.392 -7.981 -3.769 1.00 1.35 C ATOM 1961 CD LYS A 131 -9.212 -8.956 -4.616 1.00 1.46 C ATOM 1962 CE LYS A 131 -10.310 -9.620 -3.781 1.00 2.12 C ATOM 1963 NZ LYS A 131 -9.735 -10.668 -2.908 1.00 2.84 N ATOM 0 H LYS A 131 -4.127 -8.020 -3.027 1.00 1.06 H new ATOM 0 HA LYS A 131 -6.435 -6.211 -3.236 1.00 0.88 H new ATOM 0 HB2 LYS A 131 -6.751 -7.703 -5.140 1.00 1.05 H new ATOM 0 HB3 LYS A 131 -6.579 -9.101 -4.098 1.00 1.05 H new ATOM 0 HG2 LYS A 131 -8.530 -8.207 -2.712 1.00 1.35 H new ATOM 0 HG3 LYS A 131 -8.752 -6.964 -3.927 1.00 1.35 H new ATOM 0 HD2 LYS A 131 -9.660 -8.425 -5.456 1.00 1.46 H new ATOM 0 HD3 LYS A 131 -8.557 -9.720 -5.034 1.00 1.46 H new ATOM 0 HE2 LYS A 131 -10.817 -8.870 -3.174 1.00 2.12 H new ATOM 0 HE3 LYS A 131 -11.061 -10.058 -4.439 1.00 2.12 H new ATOM 0 HZ1 LYS A 131 -10.491 -11.097 -2.336 1.00 2.84 H new ATOM 0 HZ2 LYS A 131 -9.286 -11.401 -3.494 1.00 2.84 H new ATOM 0 HZ3 LYS A 131 -9.023 -10.244 -2.279 1.00 2.84 H new ATOM 1977 N VAL A 132 -7.084 -6.912 -0.989 1.00 0.76 N ATOM 1978 CA VAL A 132 -7.357 -7.203 0.407 1.00 0.69 C ATOM 1979 C VAL A 132 -8.349 -8.365 0.496 1.00 0.70 C ATOM 1980 O VAL A 132 -9.426 -8.312 -0.094 1.00 0.86 O ATOM 1981 CB VAL A 132 -7.848 -5.941 1.120 1.00 0.76 C ATOM 1982 CG1 VAL A 132 -8.314 -6.261 2.541 1.00 0.68 C ATOM 1983 CG2 VAL A 132 -6.765 -4.860 1.127 1.00 1.06 C ATOM 0 H VAL A 132 -7.596 -6.114 -1.366 1.00 0.76 H new ATOM 0 HA VAL A 132 -6.445 -7.513 0.918 1.00 0.69 H new ATOM 0 HB VAL A 132 -8.704 -5.554 0.567 1.00 0.76 H new ATOM 0 HG11 VAL A 132 -8.658 -5.347 3.026 1.00 0.68 H new ATOM 0 HG12 VAL A 132 -9.131 -6.981 2.502 1.00 0.68 H new ATOM 0 HG13 VAL A 132 -7.485 -6.683 3.109 1.00 0.68 H new ATOM 0 HG21 VAL A 132 -7.139 -3.974 1.639 1.00 1.06 H new ATOM 0 HG22 VAL A 132 -5.882 -5.233 1.645 1.00 1.06 H new ATOM 0 HG23 VAL A 132 -6.502 -4.602 0.101 1.00 1.06 H new ATOM 1993 N LYS A 133 -7.950 -9.386 1.240 1.00 0.78 N ATOM 1994 CA LYS A 133 -8.775 -10.572 1.387 1.00 0.85 C ATOM 1995 C LYS A 133 -9.561 -10.483 2.697 1.00 0.86 C ATOM 1996 O LYS A 133 -10.679 -10.988 2.791 1.00 1.67 O ATOM 1997 CB LYS A 133 -7.923 -11.837 1.267 1.00 1.05 C ATOM 1998 CG LYS A 133 -6.755 -11.808 2.254 1.00 2.65 C ATOM 1999 CD LYS A 133 -6.441 -13.210 2.775 1.00 2.94 C ATOM 2000 CE LYS A 133 -7.468 -13.650 3.821 1.00 3.61 C ATOM 2001 NZ LYS A 133 -7.024 -14.890 4.496 1.00 4.74 N ATOM 0 H LYS A 133 -7.066 -9.416 1.748 1.00 0.78 H new ATOM 0 HA LYS A 133 -9.505 -10.629 0.580 1.00 0.85 H new ATOM 0 HB2 LYS A 133 -8.541 -12.715 1.455 1.00 1.05 H new ATOM 0 HB3 LYS A 133 -7.542 -11.928 0.250 1.00 1.05 H new ATOM 0 HG2 LYS A 133 -5.873 -11.392 1.767 1.00 2.65 H new ATOM 0 HG3 LYS A 133 -6.997 -11.152 3.090 1.00 2.65 H new ATOM 0 HD2 LYS A 133 -6.436 -13.917 1.946 1.00 2.94 H new ATOM 0 HD3 LYS A 133 -5.443 -13.224 3.212 1.00 2.94 H new ATOM 0 HE2 LYS A 133 -7.607 -12.858 4.557 1.00 3.61 H new ATOM 0 HE3 LYS A 133 -8.434 -13.815 3.344 1.00 3.61 H new ATOM 0 HZ1 LYS A 133 -7.630 -15.072 5.322 1.00 4.74 H new ATOM 0 HZ2 LYS A 133 -7.092 -15.689 3.834 1.00 4.74 H new ATOM 0 HZ3 LYS A 133 -6.038 -14.782 4.807 1.00 4.74 H new ATOM 2015 N GLU A 134 -8.946 -9.835 3.677 1.00 1.15 N ATOM 2016 CA GLU A 134 -9.554 -9.712 4.990 1.00 1.21 C ATOM 2017 C GLU A 134 -9.116 -8.405 5.656 1.00 1.34 C ATOM 2018 O GLU A 134 -8.188 -7.747 5.190 1.00 2.30 O ATOM 2019 CB GLU A 134 -9.213 -10.916 5.869 1.00 1.73 C ATOM 2020 CG GLU A 134 -10.091 -12.119 5.515 1.00 1.83 C ATOM 2021 CD GLU A 134 -9.829 -13.288 6.467 1.00 2.28 C ATOM 2022 OE1 GLU A 134 -10.449 -13.287 7.551 1.00 2.69 O ATOM 2023 OE2 GLU A 134 -9.014 -14.156 6.087 1.00 2.99 O ATOM 0 H GLU A 134 -8.033 -9.390 3.587 1.00 1.15 H new ATOM 0 HA GLU A 134 -10.637 -9.691 4.867 1.00 1.21 H new ATOM 0 HB2 GLU A 134 -8.163 -11.178 5.742 1.00 1.73 H new ATOM 0 HB3 GLU A 134 -9.352 -10.656 6.918 1.00 1.73 H new ATOM 0 HG2 GLU A 134 -11.142 -11.834 5.564 1.00 1.83 H new ATOM 0 HG3 GLU A 134 -9.893 -12.429 4.489 1.00 1.83 H new ATOM 2030 N GLY A 135 -9.806 -8.070 6.737 1.00 1.05 N ATOM 2031 CA GLY A 135 -9.387 -6.961 7.577 1.00 1.12 C ATOM 2032 C GLY A 135 -9.778 -5.620 6.951 1.00 0.91 C ATOM 2033 O GLY A 135 -9.128 -4.605 7.196 1.00 0.93 O ATOM 0 H GLY A 135 -10.652 -8.547 7.050 1.00 1.05 H new ATOM 0 HA2 GLY A 135 -9.844 -7.053 8.562 1.00 1.12 H new ATOM 0 HA3 GLY A 135 -8.307 -6.998 7.722 1.00 1.12 H new ATOM 2037 N MET A 136 -10.836 -5.661 6.155 1.00 0.91 N ATOM 2038 CA MET A 136 -11.383 -4.447 5.576 1.00 0.89 C ATOM 2039 C MET A 136 -11.880 -3.494 6.665 1.00 0.90 C ATOM 2040 O MET A 136 -11.778 -2.276 6.524 1.00 0.87 O ATOM 2041 CB MET A 136 -12.542 -4.804 4.642 1.00 1.06 C ATOM 2042 CG MET A 136 -12.037 -5.086 3.226 1.00 0.98 C ATOM 2043 SD MET A 136 -12.687 -3.871 2.092 1.00 1.40 S ATOM 2044 CE MET A 136 -11.743 -2.442 2.594 1.00 1.20 C ATOM 0 H MET A 136 -11.329 -6.516 5.898 1.00 0.91 H new ATOM 0 HA MET A 136 -10.593 -3.947 5.016 1.00 0.89 H new ATOM 0 HB2 MET A 136 -13.067 -5.679 5.026 1.00 1.06 H new ATOM 0 HB3 MET A 136 -13.261 -3.985 4.619 1.00 1.06 H new ATOM 0 HG2 MET A 136 -10.947 -5.065 3.209 1.00 0.98 H new ATOM 0 HG3 MET A 136 -12.341 -6.085 2.915 1.00 0.98 H new ATOM 0 HE1 MET A 136 -11.974 -1.604 1.937 1.00 1.20 H new ATOM 0 HE2 MET A 136 -11.999 -2.179 3.621 1.00 1.20 H new ATOM 0 HE3 MET A 136 -10.679 -2.669 2.532 1.00 1.20 H new ATOM 2054 N ASN A 137 -12.406 -4.085 7.728 1.00 1.01 N ATOM 2055 CA ASN A 137 -12.937 -3.304 8.833 1.00 1.11 C ATOM 2056 C ASN A 137 -11.795 -2.927 9.779 1.00 0.87 C ATOM 2057 O ASN A 137 -11.905 -1.964 10.537 1.00 0.92 O ATOM 2058 CB ASN A 137 -13.967 -4.105 9.630 1.00 1.42 C ATOM 2059 CG ASN A 137 -13.303 -5.266 10.373 1.00 1.46 C ATOM 2060 OD1 ASN A 137 -12.819 -5.129 11.485 1.00 2.85 O ATOM 2061 ND2 ASN A 137 -13.307 -6.413 9.699 1.00 2.31 N ATOM 0 H ASN A 137 -12.476 -5.096 7.848 1.00 1.01 H new ATOM 0 HA ASN A 137 -13.415 -2.416 8.419 1.00 1.11 H new ATOM 0 HB2 ASN A 137 -14.468 -3.451 10.344 1.00 1.42 H new ATOM 0 HB3 ASN A 137 -14.733 -4.490 8.957 1.00 1.42 H new ATOM 0 HD21 ASN A 137 -12.888 -7.247 10.110 1.00 2.31 H new ATOM 0 HD22 ASN A 137 -13.729 -6.458 8.772 1.00 2.31 H new ATOM 2068 N ILE A 138 -10.726 -3.706 9.705 1.00 0.73 N ATOM 2069 CA ILE A 138 -9.518 -3.391 10.446 1.00 0.65 C ATOM 2070 C ILE A 138 -8.868 -2.141 9.848 1.00 0.77 C ATOM 2071 O ILE A 138 -8.391 -1.275 10.579 1.00 0.90 O ATOM 2072 CB ILE A 138 -8.586 -4.604 10.496 1.00 0.64 C ATOM 2073 CG1 ILE A 138 -8.924 -5.508 11.683 1.00 0.90 C ATOM 2074 CG2 ILE A 138 -7.119 -4.170 10.505 1.00 0.69 C ATOM 2075 CD1 ILE A 138 -10.037 -6.494 11.322 1.00 1.36 C ATOM 0 H ILE A 138 -10.672 -4.555 9.143 1.00 0.73 H new ATOM 0 HA ILE A 138 -9.759 -3.161 11.484 1.00 0.65 H new ATOM 0 HB ILE A 138 -8.742 -5.191 9.591 1.00 0.64 H new ATOM 0 HG12 ILE A 138 -8.034 -6.056 11.992 1.00 0.90 H new ATOM 0 HG13 ILE A 138 -9.234 -4.899 12.532 1.00 0.90 H new ATOM 0 HG21 ILE A 138 -6.479 -5.052 10.541 1.00 0.69 H new ATOM 0 HG22 ILE A 138 -6.902 -3.601 9.601 1.00 0.69 H new ATOM 0 HG23 ILE A 138 -6.929 -3.548 11.380 1.00 0.69 H new ATOM 0 HD11 ILE A 138 -10.258 -7.125 12.183 1.00 1.36 H new ATOM 0 HD12 ILE A 138 -10.933 -5.943 11.037 1.00 1.36 H new ATOM 0 HD13 ILE A 138 -9.714 -7.118 10.489 1.00 1.36 H new ATOM 2087 N VAL A 139 -8.873 -2.087 8.525 1.00 0.79 N ATOM 2088 CA VAL A 139 -8.383 -0.914 7.822 1.00 0.95 C ATOM 2089 C VAL A 139 -9.245 0.295 8.193 1.00 1.15 C ATOM 2090 O VAL A 139 -8.721 1.357 8.522 1.00 1.41 O ATOM 2091 CB VAL A 139 -8.348 -1.182 6.315 1.00 0.97 C ATOM 2092 CG1 VAL A 139 -8.261 0.126 5.528 1.00 1.15 C ATOM 2093 CG2 VAL A 139 -7.193 -2.118 5.953 1.00 0.90 C ATOM 0 H VAL A 139 -9.209 -2.837 7.921 1.00 0.79 H new ATOM 0 HA VAL A 139 -7.360 -0.689 8.123 1.00 0.95 H new ATOM 0 HB VAL A 139 -9.280 -1.677 6.040 1.00 0.97 H new ATOM 0 HG11 VAL A 139 -8.238 -0.093 4.460 1.00 1.15 H new ATOM 0 HG12 VAL A 139 -9.130 0.744 5.753 1.00 1.15 H new ATOM 0 HG13 VAL A 139 -7.353 0.660 5.809 1.00 1.15 H new ATOM 0 HG21 VAL A 139 -7.190 -2.293 4.877 1.00 0.90 H new ATOM 0 HG22 VAL A 139 -6.248 -1.662 6.249 1.00 0.90 H new ATOM 0 HG23 VAL A 139 -7.317 -3.067 6.474 1.00 0.90 H new ATOM 2103 N GLU A 140 -10.552 0.091 8.128 1.00 1.09 N ATOM 2104 CA GLU A 140 -11.492 1.154 8.441 1.00 1.28 C ATOM 2105 C GLU A 140 -11.234 1.693 9.849 1.00 1.32 C ATOM 2106 O GLU A 140 -11.253 2.903 10.068 1.00 1.53 O ATOM 2107 CB GLU A 140 -12.936 0.671 8.294 1.00 1.37 C ATOM 2108 CG GLU A 140 -13.861 1.821 7.889 1.00 1.62 C ATOM 2109 CD GLU A 140 -13.945 2.873 8.997 1.00 3.60 C ATOM 2110 OE1 GLU A 140 -14.213 2.464 10.147 1.00 4.56 O ATOM 2111 OE2 GLU A 140 -13.741 4.061 8.668 1.00 4.78 O ATOM 0 H GLU A 140 -10.983 -0.795 7.863 1.00 1.09 H new ATOM 0 HA GLU A 140 -11.342 1.966 7.729 1.00 1.28 H new ATOM 0 HB2 GLU A 140 -12.984 -0.120 7.545 1.00 1.37 H new ATOM 0 HB3 GLU A 140 -13.277 0.240 9.235 1.00 1.37 H new ATOM 0 HG2 GLU A 140 -13.494 2.282 6.972 1.00 1.62 H new ATOM 0 HG3 GLU A 140 -14.857 1.433 7.674 1.00 1.62 H new ATOM 2118 N ALA A 141 -10.999 0.769 10.768 1.00 1.17 N ATOM 2119 CA ALA A 141 -10.778 1.133 12.157 1.00 1.20 C ATOM 2120 C ALA A 141 -9.611 2.120 12.242 1.00 1.27 C ATOM 2121 O ALA A 141 -9.619 3.027 13.072 1.00 1.51 O ATOM 2122 CB ALA A 141 -10.532 -0.131 12.984 1.00 1.12 C ATOM 0 H ALA A 141 -10.957 -0.232 10.578 1.00 1.17 H new ATOM 0 HA ALA A 141 -11.659 1.626 12.568 1.00 1.20 H new ATOM 0 HB1 ALA A 141 -10.366 0.143 14.026 1.00 1.12 H new ATOM 0 HB2 ALA A 141 -11.400 -0.786 12.915 1.00 1.12 H new ATOM 0 HB3 ALA A 141 -9.654 -0.651 12.601 1.00 1.12 H new ATOM 2128 N MET A 142 -8.636 1.909 11.370 1.00 1.12 N ATOM 2129 CA MET A 142 -7.471 2.777 11.326 1.00 1.15 C ATOM 2130 C MET A 142 -7.743 4.017 10.472 1.00 1.10 C ATOM 2131 O MET A 142 -7.130 5.063 10.677 1.00 1.15 O ATOM 2132 CB MET A 142 -6.282 2.008 10.745 1.00 1.33 C ATOM 2133 CG MET A 142 -4.969 2.747 11.011 1.00 2.24 C ATOM 2134 SD MET A 142 -3.585 1.678 10.652 1.00 2.49 S ATOM 2135 CE MET A 142 -3.435 1.945 8.893 1.00 2.06 C ATOM 0 H MET A 142 -8.629 1.150 10.689 1.00 1.12 H new ATOM 0 HA MET A 142 -7.244 3.101 12.342 1.00 1.15 H new ATOM 0 HB2 MET A 142 -6.238 1.012 11.185 1.00 1.33 H new ATOM 0 HB3 MET A 142 -6.419 1.877 9.672 1.00 1.33 H new ATOM 0 HG2 MET A 142 -4.916 3.644 10.395 1.00 2.24 H new ATOM 0 HG3 MET A 142 -4.929 3.072 12.051 1.00 2.24 H new ATOM 0 HE1 MET A 142 -2.880 1.120 8.446 1.00 2.06 H new ATOM 0 HE2 MET A 142 -4.428 1.998 8.447 1.00 2.06 H new ATOM 0 HE3 MET A 142 -2.905 2.880 8.711 1.00 2.06 H new ATOM 2145 N GLU A 143 -8.664 3.858 9.532 1.00 1.08 N ATOM 2146 CA GLU A 143 -8.971 4.928 8.598 1.00 1.11 C ATOM 2147 C GLU A 143 -9.795 6.016 9.290 1.00 1.07 C ATOM 2148 O GLU A 143 -9.715 7.187 8.922 1.00 1.13 O ATOM 2149 CB GLU A 143 -9.702 4.388 7.367 1.00 1.21 C ATOM 2150 CG GLU A 143 -9.428 5.260 6.141 1.00 1.88 C ATOM 2151 CD GLU A 143 -10.148 4.713 4.907 1.00 1.87 C ATOM 2152 OE1 GLU A 143 -9.597 3.770 4.299 1.00 2.73 O ATOM 2153 OE2 GLU A 143 -11.234 5.250 4.598 1.00 2.08 O ATOM 0 H GLU A 143 -9.207 3.005 9.397 1.00 1.08 H new ATOM 0 HA GLU A 143 -8.033 5.369 8.260 1.00 1.11 H new ATOM 0 HB2 GLU A 143 -9.382 3.365 7.169 1.00 1.21 H new ATOM 0 HB3 GLU A 143 -10.774 4.354 7.562 1.00 1.21 H new ATOM 0 HG2 GLU A 143 -9.757 6.281 6.336 1.00 1.88 H new ATOM 0 HG3 GLU A 143 -8.355 5.301 5.952 1.00 1.88 H new ATOM 2160 N ARG A 144 -10.567 5.591 10.279 1.00 1.12 N ATOM 2161 CA ARG A 144 -11.488 6.493 10.950 1.00 1.20 C ATOM 2162 C ARG A 144 -10.723 7.436 11.881 1.00 1.21 C ATOM 2163 O ARG A 144 -11.305 8.355 12.453 1.00 1.26 O ATOM 2164 CB ARG A 144 -12.524 5.715 11.763 1.00 1.40 C ATOM 2165 CG ARG A 144 -11.860 4.946 12.907 1.00 2.65 C ATOM 2166 CD ARG A 144 -12.575 5.210 14.234 1.00 3.71 C ATOM 2167 NE ARG A 144 -12.378 6.619 14.643 1.00 5.06 N ATOM 2168 CZ ARG A 144 -12.740 7.112 15.836 1.00 6.46 C ATOM 2169 NH1 ARG A 144 -13.370 6.329 16.722 1.00 6.81 N ATOM 2170 NH2 ARG A 144 -12.474 8.389 16.141 1.00 8.10 N ATOM 0 H ARG A 144 -10.574 4.634 10.632 1.00 1.12 H new ATOM 0 HA ARG A 144 -12.003 7.072 10.184 1.00 1.20 H new ATOM 0 HB2 ARG A 144 -13.267 6.404 12.166 1.00 1.40 H new ATOM 0 HB3 ARG A 144 -13.054 5.020 11.112 1.00 1.40 H new ATOM 0 HG2 ARG A 144 -11.874 3.878 12.688 1.00 2.65 H new ATOM 0 HG3 ARG A 144 -10.814 5.241 12.989 1.00 2.65 H new ATOM 0 HD2 ARG A 144 -13.639 4.998 14.132 1.00 3.71 H new ATOM 0 HD3 ARG A 144 -12.189 4.542 15.004 1.00 3.71 H new ATOM 0 HE ARG A 144 -11.940 7.254 13.976 1.00 5.06 H new ATOM 0 HH11 ARG A 144 -13.574 5.357 16.489 1.00 6.81 H new ATOM 0 HH12 ARG A 144 -13.645 6.705 17.630 1.00 6.81 H new ATOM 0 HH21 ARG A 144 -11.996 8.986 15.466 1.00 8.10 H new ATOM 0 HH22 ARG A 144 -12.749 8.765 17.049 1.00 8.10 H new ATOM 2184 N PHE A 145 -9.430 7.176 12.003 1.00 1.29 N ATOM 2185 CA PHE A 145 -8.568 8.023 12.809 1.00 1.41 C ATOM 2186 C PHE A 145 -7.755 8.975 11.929 1.00 1.35 C ATOM 2187 O PHE A 145 -6.879 9.685 12.421 1.00 1.60 O ATOM 2188 CB PHE A 145 -7.609 7.099 13.562 1.00 1.52 C ATOM 2189 CG PHE A 145 -8.264 6.319 14.705 1.00 1.69 C ATOM 2190 CD1 PHE A 145 -8.967 6.981 15.663 1.00 2.87 C ATOM 2191 CD2 PHE A 145 -8.143 4.966 14.762 1.00 2.15 C ATOM 2192 CE1 PHE A 145 -9.575 6.258 16.723 1.00 3.15 C ATOM 2193 CE2 PHE A 145 -8.751 4.243 15.821 1.00 2.42 C ATOM 2194 CZ PHE A 145 -9.455 4.904 16.780 1.00 2.38 C ATOM 0 H PHE A 145 -8.958 6.390 11.557 1.00 1.29 H new ATOM 0 HA PHE A 145 -9.170 8.625 13.489 1.00 1.41 H new ATOM 0 HB2 PHE A 145 -7.173 6.392 12.856 1.00 1.52 H new ATOM 0 HB3 PHE A 145 -6.789 7.694 13.965 1.00 1.52 H new ATOM 0 HD1 PHE A 145 -9.063 8.056 15.617 1.00 2.87 H new ATOM 0 HD2 PHE A 145 -7.584 4.441 14.001 1.00 2.15 H new ATOM 0 HE1 PHE A 145 -10.133 6.783 17.484 1.00 3.15 H new ATOM 0 HE2 PHE A 145 -8.655 3.168 15.866 1.00 2.42 H new ATOM 0 HZ PHE A 145 -9.918 4.354 17.586 1.00 2.38 H new ATOM 2204 N GLY A 146 -8.074 8.957 10.643 1.00 1.18 N ATOM 2205 CA GLY A 146 -7.516 9.932 9.721 1.00 1.18 C ATOM 2206 C GLY A 146 -8.554 10.993 9.349 1.00 1.25 C ATOM 2207 O GLY A 146 -9.754 10.773 9.507 1.00 1.94 O ATOM 0 H GLY A 146 -8.711 8.283 10.218 1.00 1.18 H new ATOM 0 HA2 GLY A 146 -6.648 10.411 10.174 1.00 1.18 H new ATOM 0 HA3 GLY A 146 -7.168 9.428 8.820 1.00 1.18 H new ATOM 2211 N SER A 147 -8.054 12.119 8.862 1.00 1.25 N ATOM 2212 CA SER A 147 -8.902 13.276 8.632 1.00 1.35 C ATOM 2213 C SER A 147 -8.048 14.544 8.555 1.00 2.07 C ATOM 2214 O SER A 147 -6.830 14.486 8.714 1.00 3.36 O ATOM 2215 CB SER A 147 -9.958 13.413 9.731 1.00 1.81 C ATOM 2216 OG SER A 147 -11.186 12.786 9.372 1.00 3.57 O ATOM 0 H SER A 147 -7.072 12.255 8.620 1.00 1.25 H new ATOM 0 HA SER A 147 -9.420 13.136 7.683 1.00 1.35 H new ATOM 0 HB2 SER A 147 -9.581 12.971 10.653 1.00 1.81 H new ATOM 0 HB3 SER A 147 -10.136 14.469 9.933 1.00 1.81 H new ATOM 0 HG SER A 147 -11.174 11.851 9.665 1.00 3.57 H new ATOM 2222 N ARG A 148 -8.722 15.658 8.311 1.00 2.22 N ATOM 2223 CA ARG A 148 -8.087 16.959 8.441 1.00 3.55 C ATOM 2224 C ARG A 148 -6.956 17.103 7.421 1.00 2.92 C ATOM 2225 O ARG A 148 -7.159 17.644 6.335 1.00 3.18 O ATOM 2226 CB ARG A 148 -7.524 17.159 9.849 1.00 4.97 C ATOM 2227 CG ARG A 148 -6.775 18.490 9.956 1.00 5.77 C ATOM 2228 CD ARG A 148 -6.282 18.727 11.385 1.00 7.67 C ATOM 2229 NE ARG A 148 -5.324 17.668 11.773 1.00 8.81 N ATOM 2230 CZ ARG A 148 -4.935 17.432 13.033 1.00 10.30 C ATOM 2231 NH1 ARG A 148 -5.258 18.294 14.007 1.00 10.97 N ATOM 2232 NH2 ARG A 148 -4.224 16.333 13.320 1.00 11.53 N ATOM 0 H ARG A 148 -9.700 15.687 8.024 1.00 2.22 H new ATOM 0 HA ARG A 148 -8.847 17.718 8.255 1.00 3.55 H new ATOM 0 HB2 ARG A 148 -8.336 17.135 10.576 1.00 4.97 H new ATOM 0 HB3 ARG A 148 -6.851 16.338 10.095 1.00 4.97 H new ATOM 0 HG2 ARG A 148 -5.928 18.491 9.270 1.00 5.77 H new ATOM 0 HG3 ARG A 148 -7.431 19.306 9.654 1.00 5.77 H new ATOM 0 HD2 ARG A 148 -5.805 19.704 11.456 1.00 7.67 H new ATOM 0 HD3 ARG A 148 -7.127 18.734 12.073 1.00 7.67 H new ATOM 0 HE ARG A 148 -4.936 17.081 11.035 1.00 8.81 H new ATOM 0 HH11 ARG A 148 -5.800 19.130 13.789 1.00 10.97 H new ATOM 0 HH12 ARG A 148 -4.962 18.114 14.966 1.00 10.97 H new ATOM 0 HH21 ARG A 148 -3.979 15.676 12.579 1.00 11.53 H new ATOM 0 HH22 ARG A 148 -3.928 16.153 14.279 1.00 11.53 H new ATOM 2246 N ASN A 149 -5.789 16.608 7.805 1.00 2.58 N ATOM 2247 CA ASN A 149 -4.585 16.837 7.025 1.00 2.65 C ATOM 2248 C ASN A 149 -4.278 15.594 6.189 1.00 2.16 C ATOM 2249 O ASN A 149 -3.331 15.587 5.405 1.00 2.67 O ATOM 2250 CB ASN A 149 -3.383 17.106 7.934 1.00 3.41 C ATOM 2251 CG ASN A 149 -3.257 16.023 9.009 1.00 3.28 C ATOM 2252 OD1 ASN A 149 -4.055 15.104 9.097 1.00 3.14 O ATOM 2253 ND2 ASN A 149 -2.214 16.184 9.818 1.00 3.99 N ATOM 0 H ASN A 149 -5.652 16.049 8.647 1.00 2.58 H new ATOM 0 HA ASN A 149 -4.757 17.704 6.388 1.00 2.65 H new ATOM 0 HB2 ASN A 149 -2.471 17.140 7.337 1.00 3.41 H new ATOM 0 HB3 ASN A 149 -3.491 18.082 8.407 1.00 3.41 H new ATOM 0 HD21 ASN A 149 -2.043 15.515 10.569 1.00 3.99 H new ATOM 0 HD22 ASN A 149 -1.585 16.977 9.688 1.00 3.99 H new ATOM 2260 N GLY A 150 -5.098 14.572 6.385 1.00 1.63 N ATOM 2261 CA GLY A 150 -4.922 13.322 5.664 1.00 2.04 C ATOM 2262 C GLY A 150 -3.826 12.468 6.306 1.00 1.97 C ATOM 2263 O GLY A 150 -3.221 11.629 5.644 1.00 3.05 O ATOM 0 H GLY A 150 -5.886 14.584 7.033 1.00 1.63 H new ATOM 0 HA2 GLY A 150 -5.861 12.768 5.655 1.00 2.04 H new ATOM 0 HA3 GLY A 150 -4.664 13.530 4.626 1.00 2.04 H new ATOM 2267 N LYS A 151 -3.606 12.714 7.590 1.00 1.42 N ATOM 2268 CA LYS A 151 -2.637 11.937 8.344 1.00 1.78 C ATOM 2269 C LYS A 151 -3.276 11.464 9.651 1.00 1.55 C ATOM 2270 O LYS A 151 -4.349 11.932 10.027 1.00 1.75 O ATOM 2271 CB LYS A 151 -1.348 12.736 8.544 1.00 2.43 C ATOM 2272 CG LYS A 151 -0.569 12.856 7.232 1.00 3.59 C ATOM 2273 CD LYS A 151 0.784 13.533 7.458 1.00 4.06 C ATOM 2274 CE LYS A 151 1.853 12.507 7.840 1.00 4.32 C ATOM 2275 NZ LYS A 151 2.548 12.008 6.632 1.00 5.41 N ATOM 0 H LYS A 151 -4.082 13.440 8.126 1.00 1.42 H new ATOM 0 HA LYS A 151 -2.348 11.045 7.788 1.00 1.78 H new ATOM 0 HB2 LYS A 151 -1.587 13.730 8.922 1.00 2.43 H new ATOM 0 HB3 LYS A 151 -0.727 12.250 9.297 1.00 2.43 H new ATOM 0 HG2 LYS A 151 -0.417 11.865 6.803 1.00 3.59 H new ATOM 0 HG3 LYS A 151 -1.151 13.430 6.511 1.00 3.59 H new ATOM 0 HD2 LYS A 151 1.087 14.059 6.553 1.00 4.06 H new ATOM 0 HD3 LYS A 151 0.694 14.280 8.246 1.00 4.06 H new ATOM 0 HE2 LYS A 151 2.574 12.960 8.520 1.00 4.32 H new ATOM 0 HE3 LYS A 151 1.393 11.674 8.372 1.00 4.32 H new ATOM 0 HZ1 LYS A 151 3.497 11.671 6.892 1.00 5.41 H new ATOM 0 HZ2 LYS A 151 2.004 11.225 6.217 1.00 5.41 H new ATOM 0 HZ3 LYS A 151 2.632 12.777 5.937 1.00 5.41 H new ATOM 2289 N THR A 152 -2.589 10.542 10.310 1.00 1.89 N ATOM 2290 CA THR A 152 -3.114 9.943 11.525 1.00 1.90 C ATOM 2291 C THR A 152 -3.348 11.015 12.590 1.00 1.81 C ATOM 2292 O THR A 152 -2.571 11.961 12.705 1.00 2.24 O ATOM 2293 CB THR A 152 -2.143 8.847 11.969 1.00 2.38 C ATOM 2294 OG1 THR A 152 -0.870 9.309 11.523 1.00 3.60 O ATOM 2295 CG2 THR A 152 -2.351 7.535 11.208 1.00 1.89 C ATOM 0 H THR A 152 -1.673 10.195 10.025 1.00 1.89 H new ATOM 0 HA THR A 152 -4.087 9.484 11.351 1.00 1.90 H new ATOM 0 HB THR A 152 -2.262 8.669 13.038 1.00 2.38 H new ATOM 0 HG1 THR A 152 -0.306 8.542 11.292 1.00 3.60 H new ATOM 0 HG21 THR A 152 -1.636 6.792 11.562 1.00 1.89 H new ATOM 0 HG22 THR A 152 -3.365 7.173 11.377 1.00 1.89 H new ATOM 0 HG23 THR A 152 -2.200 7.705 10.142 1.00 1.89 H new ATOM 2303 N SER A 153 -4.424 10.832 13.342 1.00 1.79 N ATOM 2304 CA SER A 153 -4.704 11.702 14.471 1.00 2.19 C ATOM 2305 C SER A 153 -4.075 11.129 15.743 1.00 1.81 C ATOM 2306 O SER A 153 -4.104 11.766 16.796 1.00 2.33 O ATOM 2307 CB SER A 153 -6.211 11.888 14.663 1.00 2.94 C ATOM 2308 OG SER A 153 -6.855 12.292 13.458 1.00 4.08 O ATOM 0 H SER A 153 -5.112 10.094 13.191 1.00 1.79 H new ATOM 0 HA SER A 153 -4.267 12.679 14.265 1.00 2.19 H new ATOM 0 HB2 SER A 153 -6.650 10.954 15.014 1.00 2.94 H new ATOM 0 HB3 SER A 153 -6.389 12.634 15.437 1.00 2.94 H new ATOM 0 HG SER A 153 -6.987 11.512 12.880 1.00 4.08 H new ATOM 2314 N LYS A 154 -3.521 9.934 15.604 1.00 1.29 N ATOM 2315 CA LYS A 154 -2.870 9.276 16.724 1.00 1.20 C ATOM 2316 C LYS A 154 -1.638 8.522 16.221 1.00 1.27 C ATOM 2317 O LYS A 154 -1.045 8.897 15.211 1.00 1.79 O ATOM 2318 CB LYS A 154 -3.865 8.392 17.479 1.00 1.35 C ATOM 2319 CG LYS A 154 -4.325 7.219 16.611 1.00 2.86 C ATOM 2320 CD LYS A 154 -5.672 6.675 17.093 1.00 3.13 C ATOM 2321 CE LYS A 154 -5.558 6.102 18.507 1.00 3.77 C ATOM 2322 NZ LYS A 154 -6.824 5.446 18.903 1.00 5.04 N ATOM 0 H LYS A 154 -3.509 9.404 14.733 1.00 1.29 H new ATOM 0 HA LYS A 154 -2.521 10.013 17.447 1.00 1.20 H new ATOM 0 HB2 LYS A 154 -3.402 8.015 18.391 1.00 1.35 H new ATOM 0 HB3 LYS A 154 -4.728 8.986 17.781 1.00 1.35 H new ATOM 0 HG2 LYS A 154 -4.409 7.541 15.573 1.00 2.86 H new ATOM 0 HG3 LYS A 154 -3.578 6.426 16.639 1.00 2.86 H new ATOM 0 HD2 LYS A 154 -6.416 7.471 17.078 1.00 3.13 H new ATOM 0 HD3 LYS A 154 -6.021 5.900 16.410 1.00 3.13 H new ATOM 0 HE2 LYS A 154 -4.740 5.383 18.550 1.00 3.77 H new ATOM 0 HE3 LYS A 154 -5.319 6.899 19.211 1.00 3.77 H new ATOM 0 HZ1 LYS A 154 -7.232 5.944 19.720 1.00 5.04 H new ATOM 0 HZ2 LYS A 154 -7.494 5.477 18.108 1.00 5.04 H new ATOM 0 HZ3 LYS A 154 -6.636 4.456 19.159 1.00 5.04 H new ATOM 2336 N LYS A 155 -1.287 7.471 16.949 1.00 1.22 N ATOM 2337 CA LYS A 155 -0.035 6.777 16.707 1.00 1.46 C ATOM 2338 C LYS A 155 -0.329 5.388 16.135 1.00 1.37 C ATOM 2339 O LYS A 155 -0.813 4.510 16.846 1.00 1.55 O ATOM 2340 CB LYS A 155 0.818 6.750 17.977 1.00 1.78 C ATOM 2341 CG LYS A 155 1.011 8.161 18.536 1.00 2.72 C ATOM 2342 CD LYS A 155 1.831 8.131 19.827 1.00 3.40 C ATOM 2343 CE LYS A 155 1.823 9.498 20.515 1.00 4.61 C ATOM 2344 NZ LYS A 155 2.559 10.491 19.700 1.00 4.92 N ATOM 0 H LYS A 155 -1.849 7.084 17.707 1.00 1.22 H new ATOM 0 HA LYS A 155 0.558 7.310 15.964 1.00 1.46 H new ATOM 0 HB2 LYS A 155 0.340 6.120 18.727 1.00 1.78 H new ATOM 0 HB3 LYS A 155 1.789 6.305 17.758 1.00 1.78 H new ATOM 0 HG2 LYS A 155 1.514 8.784 17.796 1.00 2.72 H new ATOM 0 HG3 LYS A 155 0.039 8.616 18.728 1.00 2.72 H new ATOM 0 HD2 LYS A 155 1.425 7.378 20.502 1.00 3.40 H new ATOM 0 HD3 LYS A 155 2.857 7.839 19.603 1.00 3.40 H new ATOM 0 HE2 LYS A 155 0.796 9.831 20.665 1.00 4.61 H new ATOM 0 HE3 LYS A 155 2.279 9.418 21.502 1.00 4.61 H new ATOM 0 HZ1 LYS A 155 2.603 11.396 20.211 1.00 4.92 H new ATOM 0 HZ2 LYS A 155 3.524 10.147 19.522 1.00 4.92 H new ATOM 0 HZ3 LYS A 155 2.068 10.629 18.794 1.00 4.92 H new ATOM 2358 N ILE A 156 -0.024 5.233 14.855 1.00 1.25 N ATOM 2359 CA ILE A 156 -0.178 3.946 14.199 1.00 1.19 C ATOM 2360 C ILE A 156 1.185 3.259 14.108 1.00 1.50 C ATOM 2361 O ILE A 156 2.183 3.892 13.766 1.00 1.98 O ATOM 2362 CB ILE A 156 -0.874 4.114 12.846 1.00 1.17 C ATOM 2363 CG1 ILE A 156 -2.392 4.205 13.018 1.00 1.37 C ATOM 2364 CG2 ILE A 156 -0.472 2.997 11.880 1.00 1.63 C ATOM 2365 CD1 ILE A 156 -2.775 5.410 13.879 1.00 2.05 C ATOM 0 H ILE A 156 0.329 5.978 14.254 1.00 1.25 H new ATOM 0 HA ILE A 156 -0.825 3.294 14.786 1.00 1.19 H new ATOM 0 HB ILE A 156 -0.543 5.055 12.406 1.00 1.17 H new ATOM 0 HG12 ILE A 156 -2.868 4.286 12.041 1.00 1.37 H new ATOM 0 HG13 ILE A 156 -2.765 3.291 13.480 1.00 1.37 H new ATOM 0 HG21 ILE A 156 -0.980 3.140 10.927 1.00 1.63 H new ATOM 0 HG22 ILE A 156 0.606 3.022 11.724 1.00 1.63 H new ATOM 0 HG23 ILE A 156 -0.755 2.032 12.301 1.00 1.63 H new ATOM 0 HD11 ILE A 156 -3.859 5.451 13.985 1.00 2.05 H new ATOM 0 HD12 ILE A 156 -2.317 5.314 14.863 1.00 2.05 H new ATOM 0 HD13 ILE A 156 -2.422 6.325 13.402 1.00 2.05 H new ATOM 2377 N THR A 157 1.185 1.971 14.420 1.00 1.38 N ATOM 2378 CA THR A 157 2.409 1.189 14.372 1.00 1.68 C ATOM 2379 C THR A 157 2.160 -0.150 13.675 1.00 1.33 C ATOM 2380 O THR A 157 1.110 -0.764 13.861 1.00 1.12 O ATOM 2381 CB THR A 157 2.931 1.042 15.803 1.00 2.17 C ATOM 2382 OG1 THR A 157 1.829 0.491 16.520 1.00 2.30 O ATOM 2383 CG2 THR A 157 3.177 2.392 16.479 1.00 2.57 C ATOM 0 H THR A 157 0.357 1.449 14.707 1.00 1.38 H new ATOM 0 HA THR A 157 3.176 1.689 13.780 1.00 1.68 H new ATOM 0 HB THR A 157 3.857 0.467 15.793 1.00 2.17 H new ATOM 0 HG1 THR A 157 2.081 0.361 17.458 1.00 2.30 H new ATOM 0 HG21 THR A 157 3.546 2.230 17.492 1.00 2.57 H new ATOM 0 HG22 THR A 157 3.916 2.955 15.909 1.00 2.57 H new ATOM 0 HG23 THR A 157 2.244 2.954 16.519 1.00 2.57 H new ATOM 2391 N ILE A 158 3.142 -0.562 12.889 1.00 1.34 N ATOM 2392 CA ILE A 158 3.076 -1.851 12.221 1.00 1.03 C ATOM 2393 C ILE A 158 3.610 -2.936 13.159 1.00 1.12 C ATOM 2394 O ILE A 158 4.779 -2.908 13.544 1.00 1.36 O ATOM 2395 CB ILE A 158 3.797 -1.795 10.873 1.00 1.06 C ATOM 2396 CG1 ILE A 158 3.108 -0.812 9.924 1.00 1.32 C ATOM 2397 CG2 ILE A 158 3.922 -3.191 10.260 1.00 0.87 C ATOM 2398 CD1 ILE A 158 3.757 -0.842 8.538 1.00 1.60 C ATOM 0 H ILE A 158 3.989 -0.026 12.699 1.00 1.34 H new ATOM 0 HA ILE A 158 2.042 -2.107 11.992 1.00 1.03 H new ATOM 0 HB ILE A 158 4.809 -1.426 11.041 1.00 1.06 H new ATOM 0 HG12 ILE A 158 2.051 -1.063 9.840 1.00 1.32 H new ATOM 0 HG13 ILE A 158 3.165 0.196 10.335 1.00 1.32 H new ATOM 0 HG21 ILE A 158 4.438 -3.123 9.302 1.00 0.87 H new ATOM 0 HG22 ILE A 158 4.489 -3.834 10.933 1.00 0.87 H new ATOM 0 HG23 ILE A 158 2.928 -3.612 10.107 1.00 0.87 H new ATOM 0 HD11 ILE A 158 3.249 -0.135 7.883 1.00 1.60 H new ATOM 0 HD12 ILE A 158 4.808 -0.567 8.623 1.00 1.60 H new ATOM 0 HD13 ILE A 158 3.677 -1.846 8.120 1.00 1.60 H new ATOM 2410 N ALA A 159 2.730 -3.865 13.502 1.00 1.08 N ATOM 2411 CA ALA A 159 3.064 -4.890 14.475 1.00 1.33 C ATOM 2412 C ALA A 159 4.094 -5.845 13.870 1.00 1.29 C ATOM 2413 O ALA A 159 5.134 -6.106 14.473 1.00 1.60 O ATOM 2414 CB ALA A 159 1.788 -5.611 14.915 1.00 1.42 C ATOM 0 H ALA A 159 1.785 -3.929 13.123 1.00 1.08 H new ATOM 0 HA ALA A 159 3.510 -4.445 15.364 1.00 1.33 H new ATOM 0 HB1 ALA A 159 2.038 -6.380 15.645 1.00 1.42 H new ATOM 0 HB2 ALA A 159 1.101 -4.894 15.364 1.00 1.42 H new ATOM 0 HB3 ALA A 159 1.314 -6.073 14.049 1.00 1.42 H new ATOM 2420 N ASP A 160 3.770 -6.341 12.685 1.00 0.96 N ATOM 2421 CA ASP A 160 4.663 -7.249 11.983 1.00 0.90 C ATOM 2422 C ASP A 160 4.075 -7.573 10.608 1.00 0.78 C ATOM 2423 O ASP A 160 2.868 -7.462 10.403 1.00 0.87 O ATOM 2424 CB ASP A 160 4.826 -8.562 12.750 1.00 0.99 C ATOM 2425 CG ASP A 160 3.530 -9.144 13.320 1.00 2.45 C ATOM 2426 OD1 ASP A 160 3.191 -8.765 14.462 1.00 3.03 O ATOM 2427 OD2 ASP A 160 2.907 -9.954 12.600 1.00 3.82 O ATOM 0 H ASP A 160 2.902 -6.132 12.193 1.00 0.96 H new ATOM 0 HA ASP A 160 5.634 -6.763 11.890 1.00 0.90 H new ATOM 0 HB2 ASP A 160 5.276 -9.300 12.086 1.00 0.99 H new ATOM 0 HB3 ASP A 160 5.526 -8.402 13.570 1.00 0.99 H new ATOM 2432 N CYS A 161 4.958 -7.968 9.702 1.00 0.73 N ATOM 2433 CA CYS A 161 4.534 -8.383 8.375 1.00 0.72 C ATOM 2434 C CYS A 161 5.374 -9.590 7.957 1.00 0.74 C ATOM 2435 O CYS A 161 6.423 -9.854 8.545 1.00 0.93 O ATOM 2436 CB CYS A 161 4.636 -7.238 7.365 1.00 0.96 C ATOM 2437 SG CYS A 161 3.880 -5.722 8.058 1.00 2.41 S ATOM 0 H CYS A 161 5.965 -8.009 9.861 1.00 0.73 H new ATOM 0 HA CYS A 161 3.482 -8.666 8.399 1.00 0.72 H new ATOM 0 HB2 CYS A 161 5.681 -7.053 7.118 1.00 0.96 H new ATOM 0 HB3 CYS A 161 4.133 -7.514 6.438 1.00 0.96 H new ATOM 0 HG CYS A 161 3.261 -5.076 7.115 1.00 2.41 H new ATOM 2443 N GLY A 162 4.884 -10.292 6.947 1.00 0.77 N ATOM 2444 CA GLY A 162 5.604 -11.433 6.407 1.00 1.09 C ATOM 2445 C GLY A 162 4.759 -12.172 5.369 1.00 0.79 C ATOM 2446 O GLY A 162 3.668 -11.727 5.018 1.00 1.27 O ATOM 0 H GLY A 162 3.996 -10.093 6.487 1.00 0.77 H new ATOM 0 HA2 GLY A 162 6.535 -11.097 5.951 1.00 1.09 H new ATOM 0 HA3 GLY A 162 5.872 -12.114 7.215 1.00 1.09 H new ATOM 2450 N GLN A 163 5.296 -13.292 4.905 1.00 0.97 N ATOM 2451 CA GLN A 163 4.666 -14.034 3.826 1.00 0.83 C ATOM 2452 C GLN A 163 3.862 -15.208 4.389 1.00 0.80 C ATOM 2453 O GLN A 163 4.305 -15.879 5.320 1.00 0.95 O ATOM 2454 CB GLN A 163 5.705 -14.517 2.813 1.00 1.12 C ATOM 2455 CG GLN A 163 5.036 -15.250 1.649 1.00 1.58 C ATOM 2456 CD GLN A 163 5.134 -16.766 1.827 1.00 2.71 C ATOM 2457 OE1 GLN A 163 5.368 -17.276 2.910 1.00 3.98 O ATOM 2458 NE2 GLN A 163 4.942 -17.456 0.706 1.00 3.57 N ATOM 0 H GLN A 163 6.161 -13.703 5.257 1.00 0.97 H new ATOM 0 HA GLN A 163 3.981 -13.366 3.303 1.00 0.83 H new ATOM 0 HB2 GLN A 163 6.272 -13.666 2.434 1.00 1.12 H new ATOM 0 HB3 GLN A 163 6.416 -15.181 3.305 1.00 1.12 H new ATOM 0 HG2 GLN A 163 3.989 -14.955 1.583 1.00 1.58 H new ATOM 0 HG3 GLN A 163 5.509 -14.959 0.711 1.00 1.58 H new ATOM 0 HE21 GLN A 163 4.750 -16.966 -0.168 1.00 3.57 H new ATOM 0 HE22 GLN A 163 4.987 -18.475 0.720 1.00 3.57 H new ATOM 2467 N LEU A 164 2.694 -15.419 3.800 1.00 0.80 N ATOM 2468 CA LEU A 164 1.873 -16.564 4.156 1.00 0.99 C ATOM 2469 C LEU A 164 2.182 -17.724 3.206 1.00 1.21 C ATOM 2470 O LEU A 164 1.800 -17.692 2.038 1.00 1.41 O ATOM 2471 CB LEU A 164 0.394 -16.174 4.189 1.00 0.97 C ATOM 2472 CG LEU A 164 -0.029 -15.247 5.331 1.00 0.93 C ATOM 2473 CD1 LEU A 164 -1.430 -14.681 5.087 1.00 1.08 C ATOM 2474 CD2 LEU A 164 0.074 -15.959 6.681 1.00 1.10 C ATOM 0 H LEU A 164 2.297 -14.817 3.079 1.00 0.80 H new ATOM 0 HA LEU A 164 2.112 -16.904 5.164 1.00 0.99 H new ATOM 0 HB2 LEU A 164 0.145 -15.691 3.244 1.00 0.97 H new ATOM 0 HB3 LEU A 164 -0.201 -17.086 4.248 1.00 0.97 H new ATOM 0 HG LEU A 164 0.659 -14.402 5.359 1.00 0.93 H new ATOM 0 HD11 LEU A 164 -1.707 -14.026 5.913 1.00 1.08 H new ATOM 0 HD12 LEU A 164 -1.436 -14.114 4.156 1.00 1.08 H new ATOM 0 HD13 LEU A 164 -2.146 -15.500 5.018 1.00 1.08 H new ATOM 0 HD21 LEU A 164 -0.232 -15.278 7.476 1.00 1.10 H new ATOM 0 HD22 LEU A 164 -0.576 -16.834 6.682 1.00 1.10 H new ATOM 0 HD23 LEU A 164 1.104 -16.273 6.849 1.00 1.10 H new ATOM 2486 N GLU A 165 2.869 -18.720 3.744 1.00 1.75 N ATOM 2487 CA GLU A 165 3.196 -19.907 2.973 1.00 2.21 C ATOM 2488 C GLU A 165 2.015 -20.880 2.970 1.00 2.86 C ATOM 2489 O GLU A 165 1.146 -20.810 3.837 1.00 3.81 O ATOM 2490 CB GLU A 165 4.459 -20.581 3.510 1.00 3.07 C ATOM 2491 CG GLU A 165 4.167 -21.343 4.805 1.00 4.71 C ATOM 2492 CD GLU A 165 5.463 -21.784 5.487 1.00 5.89 C ATOM 2493 OE1 GLU A 165 6.202 -22.566 4.849 1.00 6.18 O ATOM 2494 OE2 GLU A 165 5.685 -21.330 6.630 1.00 7.00 O ATOM 0 H GLU A 165 3.209 -18.730 4.706 1.00 1.75 H new ATOM 0 HA GLU A 165 3.396 -19.604 1.945 1.00 2.21 H new ATOM 0 HB2 GLU A 165 4.855 -21.267 2.762 1.00 3.07 H new ATOM 0 HB3 GLU A 165 5.227 -19.829 3.692 1.00 3.07 H new ATOM 0 HG2 GLU A 165 3.593 -20.710 5.482 1.00 4.71 H new ATOM 0 HG3 GLU A 165 3.552 -22.216 4.586 1.00 4.71 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -6.901 17.960 -4.745 1.00 1.20 N HETATM 2503 CA DAL B 201 -7.655 16.840 -5.282 1.00 1.13 C HETATM 2504 CB DAL B 201 -9.150 17.160 -5.232 1.00 1.17 C HETATM 2505 C DAL B 201 -7.304 15.573 -4.501 1.00 1.01 C HETATM 2506 O DAL B 201 -6.764 15.648 -3.398 1.00 0.99 O HETATM 0 HB3 DAL B 201 -9.450 17.337 -4.199 1.00 1.17 H new HETATM 0 HB2 DAL B 201 -9.351 18.051 -5.826 1.00 1.17 H new HETATM 0 HB1 DAL B 201 -9.716 16.320 -5.635 1.00 1.17 H new HETATM 0 HA DAL B 201 -7.393 16.667 -6.326 1.00 1.13 H new HETATM 2512 N MLE B 202 -7.623 14.437 -5.104 1.00 0.97 N HETATM 2513 CN MLE B 202 -8.269 14.335 -6.792 1.00 1.12 C HETATM 2514 CA MLE B 202 -7.470 13.161 -4.427 1.00 0.87 C HETATM 2515 CB MLE B 202 -8.839 12.560 -4.100 1.00 0.86 C HETATM 2516 CG MLE B 202 -9.907 13.546 -3.621 1.00 1.13 C HETATM 2517 CD1 MLE B 202 -11.289 12.892 -3.609 1.00 2.10 C HETATM 2518 CD2 MLE B 202 -9.538 14.134 -2.257 1.00 1.02 C HETATM 2519 C MLE B 202 -6.582 12.244 -5.270 1.00 0.85 C HETATM 2520 O MLE B 202 -7.035 11.206 -5.752 1.00 0.84 O HETATM 0 HD23 MLE B 202 -9.451 13.330 -1.526 1.00 1.02 H new HETATM 0 HD22 MLE B 202 -8.586 14.660 -2.333 1.00 1.02 H new HETATM 0 HD21 MLE B 202 -10.313 14.831 -1.940 1.00 1.02 H new HETATM 0 HD13 MLE B 202 -11.544 12.562 -4.616 1.00 2.10 H new HETATM 0 HD12 MLE B 202 -11.279 12.033 -2.937 1.00 2.10 H new HETATM 0 HD11 MLE B 202 -12.030 13.614 -3.265 1.00 2.10 H new HETATM 0 HN3 MLE B 202 -7.595 13.736 -7.404 1.00 1.12 H new HETATM 0 HN2 MLE B 202 -9.255 13.870 -6.777 1.00 1.12 H new HETATM 0 HN1 MLE B 202 -8.347 15.337 -7.213 1.00 1.12 H new HETATM 0 HG MLE B 202 -9.949 14.375 -4.327 1.00 1.13 H new HETATM 0 HB3 MLE B 202 -9.213 12.053 -4.990 1.00 0.86 H new HETATM 0 HB2 MLE B 202 -8.705 11.798 -3.332 1.00 0.86 H new HETATM 0 HA MLE B 202 -6.970 13.297 -3.468 1.00 0.87 H new HETATM 2531 N MLE B 203 -5.334 12.659 -5.424 1.00 0.87 N HETATM 2532 CN MLE B 203 -4.707 14.237 -4.795 1.00 0.93 C HETATM 2533 CA MLE B 203 -4.356 11.848 -6.128 1.00 0.88 C HETATM 2534 CB MLE B 203 -3.647 12.675 -7.202 1.00 0.92 C HETATM 2535 CG MLE B 203 -4.546 13.556 -8.073 1.00 0.96 C HETATM 2536 CD1 MLE B 203 -3.742 14.229 -9.188 1.00 1.02 C HETATM 2537 CD2 MLE B 203 -5.730 12.755 -8.623 1.00 0.97 C HETATM 2538 C MLE B 203 -3.403 11.210 -5.115 1.00 0.89 C HETATM 2539 O MLE B 203 -3.196 11.748 -4.028 1.00 0.95 O HETATM 0 HD23 MLE B 203 -5.360 11.927 -9.228 1.00 0.97 H new HETATM 0 HD22 MLE B 203 -6.321 12.363 -7.795 1.00 0.97 H new HETATM 0 HD21 MLE B 203 -6.354 13.404 -9.238 1.00 0.97 H new HETATM 0 HD13 MLE B 203 -2.963 14.852 -8.749 1.00 1.02 H new HETATM 0 HD12 MLE B 203 -3.285 13.466 -9.818 1.00 1.02 H new HETATM 0 HD11 MLE B 203 -4.405 14.849 -9.792 1.00 1.02 H new HETATM 0 HN3 MLE B 203 -3.893 14.052 -4.095 1.00 0.93 H new HETATM 0 HN2 MLE B 203 -4.341 14.840 -5.626 1.00 0.93 H new HETATM 0 HN1 MLE B 203 -5.510 14.770 -4.285 1.00 0.93 H new HETATM 0 HG MLE B 203 -4.955 14.350 -7.448 1.00 0.96 H new HETATM 0 HB3 MLE B 203 -2.910 13.313 -6.714 1.00 0.92 H new HETATM 0 HB2 MLE B 203 -3.098 11.995 -7.853 1.00 0.92 H new HETATM 0 HA MLE B 203 -4.849 11.034 -6.659 1.00 0.88 H new HETATM 2550 N MVA B 204 -2.848 10.073 -5.508 1.00 0.89 N HETATM 2551 CN MVA B 204 -3.151 9.300 -7.116 1.00 0.95 C HETATM 2552 CA MVA B 204 -1.930 9.351 -4.644 1.00 0.95 C HETATM 2553 CB MVA B 204 -2.567 8.038 -4.184 1.00 1.06 C HETATM 2554 CG1 MVA B 204 -1.910 7.531 -2.898 1.00 1.29 C HETATM 2555 CG2 MVA B 204 -4.078 8.197 -4.001 1.00 0.90 C HETATM 2556 C MVA B 204 -0.601 9.146 -5.375 1.00 0.94 C HETATM 2557 O MVA B 204 -0.473 8.238 -6.194 1.00 0.84 O HETATM 0 HG23 MVA B 204 -4.275 8.963 -3.251 1.00 0.90 H new HETATM 0 HG22 MVA B 204 -4.530 8.492 -4.948 1.00 0.90 H new HETATM 0 HG21 MVA B 204 -4.507 7.250 -3.674 1.00 0.90 H new HETATM 0 HG13 MVA B 204 -0.848 7.361 -3.075 1.00 1.29 H new HETATM 0 HG12 MVA B 204 -2.032 8.274 -2.110 1.00 1.29 H new HETATM 0 HG11 MVA B 204 -2.381 6.597 -2.593 1.00 1.29 H new HETATM 0 HN3 MVA B 204 -2.211 9.214 -7.661 1.00 0.95 H new HETATM 0 HN2 MVA B 204 -3.577 8.307 -6.968 1.00 0.95 H new HETATM 0 HN1 MVA B 204 -3.848 9.912 -7.688 1.00 0.95 H new HETATM 0 HB MVA B 204 -2.400 7.293 -4.962 1.00 1.06 H new HETATM 0 HA MVA B 204 -1.720 9.929 -3.744 1.00 0.95 H new HETATM 2566 N BMT B 205 0.306 10.138 -5.299 1.00 1.02 N HETATM 2567 CN BMT B 205 0.145 11.492 -4.109 1.00 1.09 C HETATM 2568 CA BMT B 205 1.619 10.011 -5.912 1.00 1.05 C HETATM 2569 C BMT B 205 2.716 10.192 -4.861 1.00 1.10 C HETATM 2570 O BMT B 205 2.449 10.134 -3.661 1.00 1.22 O HETATM 2571 CB BMT B 205 1.704 11.018 -7.060 1.00 1.10 C HETATM 2572 OG1 BMT B 205 1.620 12.287 -6.417 1.00 1.15 O HETATM 2573 CG2 BMT B 205 0.473 10.977 -7.969 1.00 1.19 C HETATM 2574 CD1 BMT B 205 0.462 9.688 -8.793 1.00 1.61 C HETATM 2575 CD2 BMT B 205 0.245 12.190 -8.765 1.00 1.27 C HETATM 2576 CE BMT B 205 1.406 13.001 -9.086 1.00 1.04 C HETATM 2577 CZ BMT B 205 2.246 12.929 -10.039 1.00 1.71 C HETATM 2578 CH BMT B 205 3.485 13.742 -10.320 1.00 1.52 C HETATM 0 HD23 BMT B 205 -0.231 11.896 -9.701 1.00 1.27 H new HETATM 0 HD22 BMT B 205 -0.467 12.817 -8.229 1.00 1.27 H new HETATM 0 HD13 BMT B 205 1.360 9.642 -9.409 1.00 1.61 H new HETATM 0 HD12 BMT B 205 0.438 8.828 -8.123 1.00 1.61 H new HETATM 0 HD11 BMT B 205 -0.419 9.674 -9.434 1.00 1.61 H new HETATM 0 HZ BMT B 205 2.036 12.152 -10.773 1.00 1.71 H new HETATM 0 HN3 BMT B 205 0.856 11.348 -3.296 1.00 1.09 H new HETATM 0 HN2 BMT B 205 0.350 12.440 -4.607 1.00 1.09 H new HETATM 0 HN1 BMT B 205 -0.868 11.505 -3.707 1.00 1.09 H new HETATM 0 HH3 BMT B 205 3.213 14.791 -10.435 1.00 1.52 H new HETATM 0 HH2 BMT B 205 4.185 13.637 -9.491 1.00 1.52 H new HETATM 0 HH1 BMT B 205 3.953 13.386 -11.238 1.00 1.52 H new HETATM 0 HG2 BMT B 205 -0.395 10.963 -7.310 1.00 1.19 H new HETATM 0 HG1 BMT B 205 0.707 12.634 -6.496 1.00 1.15 H new HETATM 0 HE BMT B 205 1.591 13.816 -8.386 1.00 1.04 H new HETATM 0 HB BMT B 205 2.598 10.818 -7.651 1.00 1.10 H new HETATM 0 HA BMT B 205 1.769 9.014 -6.325 1.00 1.05 H new HETATM 2593 N ABA B 206 3.928 10.409 -5.350 1.00 1.12 N HETATM 2594 CA ABA B 206 5.097 10.402 -4.485 1.00 1.26 C HETATM 2595 C ABA B 206 6.061 11.520 -4.882 1.00 1.29 C HETATM 2596 O ABA B 206 7.142 11.256 -5.406 1.00 1.37 O HETATM 2597 CB ABA B 206 5.723 9.007 -4.549 1.00 1.39 C HETATM 2598 CG ABA B 206 4.678 7.904 -4.734 1.00 1.20 C HETATM 0 HG3 ABA B 206 4.134 8.070 -5.664 1.00 1.20 H new HETATM 0 HG2 ABA B 206 3.980 7.920 -3.897 1.00 1.20 H new HETATM 0 HG1 ABA B 206 5.175 6.935 -4.773 1.00 1.20 H new HETATM 0 HB3 ABA B 206 6.284 8.822 -3.633 1.00 1.39 H new HETATM 0 HB2 ABA B 206 6.436 8.970 -5.373 1.00 1.39 H new HETATM 0 HA ABA B 206 4.825 10.605 -3.449 1.00 1.26 H new HETATM 0 H ABA B 206 3.848 11.102 -6.094 1.00 1.12 H new HETATM 2606 N SAR B 207 5.635 12.747 -4.618 1.00 1.32 N HETATM 2607 CA SAR B 207 6.453 13.939 -4.981 1.00 1.47 C HETATM 2608 C SAR B 207 5.879 15.353 -4.789 1.00 1.47 C HETATM 2609 O SAR B 207 6.424 16.294 -4.232 1.00 1.63 O HETATM 2610 CN SAR B 207 3.996 12.887 -3.788 1.00 1.29 C HETATM 0 HN3 SAR B 207 4.115 13.394 -2.831 1.00 1.29 H new HETATM 0 HN2 SAR B 207 3.316 13.459 -4.419 1.00 1.29 H new HETATM 0 HN1 SAR B 207 3.586 11.891 -3.622 1.00 1.29 H new HETATM 0 HA3 SAR B 207 7.378 13.884 -4.407 1.00 1.47 H new HETATM 0 HA2 SAR B 207 6.723 13.839 -6.032 1.00 1.47 H new HETATM 2613 N MLE B 208 4.668 15.539 -5.292 1.00 1.30 N HETATM 2614 CN MLE B 208 3.491 14.474 -6.161 1.00 1.03 C HETATM 2615 CA MLE B 208 4.220 16.905 -5.079 1.00 1.43 C HETATM 2616 CB MLE B 208 4.904 17.852 -6.066 1.00 1.58 C HETATM 2617 CG MLE B 208 5.026 17.347 -7.506 1.00 2.48 C HETATM 2618 CD1 MLE B 208 5.970 16.145 -7.587 1.00 4.16 C HETATM 2619 CD2 MLE B 208 3.649 17.035 -8.096 1.00 2.89 C HETATM 2620 C MLE B 208 2.692 16.950 -5.140 1.00 1.30 C HETATM 2621 O MLE B 208 2.121 17.529 -6.064 1.00 1.38 O HETATM 0 HD23 MLE B 208 3.162 16.266 -7.496 1.00 2.89 H new HETATM 0 HD22 MLE B 208 3.039 17.938 -8.093 1.00 2.89 H new HETATM 0 HD21 MLE B 208 3.764 16.678 -9.119 1.00 2.89 H new HETATM 0 HD13 MLE B 208 6.959 16.435 -7.233 1.00 4.16 H new HETATM 0 HD12 MLE B 208 5.585 15.337 -6.965 1.00 4.16 H new HETATM 0 HD11 MLE B 208 6.039 15.806 -8.621 1.00 4.16 H new HETATM 0 HN3 MLE B 208 2.565 14.413 -5.589 1.00 1.03 H new HETATM 0 HN2 MLE B 208 3.282 14.891 -7.146 1.00 1.03 H new HETATM 0 HN1 MLE B 208 3.916 13.476 -6.272 1.00 1.03 H new HETATM 0 HG MLE B 208 5.463 18.141 -8.111 1.00 2.48 H new HETATM 0 HB3 MLE B 208 4.353 18.793 -6.077 1.00 1.58 H new HETATM 0 HB2 MLE B 208 5.904 18.073 -5.693 1.00 1.58 H new HETATM 0 HA MLE B 208 4.510 17.252 -4.087 1.00 1.43 H new ATOM 2632 N VAL B 209 2.073 16.335 -4.143 1.00 1.27 N ATOM 2633 CA VAL B 209 0.625 16.215 -4.122 1.00 1.15 C ATOM 2634 C VAL B 209 0.001 17.600 -4.307 1.00 1.20 C ATOM 2635 O VAL B 209 0.421 18.564 -3.669 1.00 1.34 O ATOM 2636 CB VAL B 209 0.176 15.524 -2.833 1.00 1.21 C ATOM 2637 CG1 VAL B 209 -1.334 15.276 -2.840 1.00 1.12 C ATOM 2638 CG2 VAL B 209 0.946 14.220 -2.614 1.00 1.26 C ATOM 0 H VAL B 209 2.548 15.915 -3.344 1.00 1.27 H new ATOM 0 HA VAL B 209 0.281 15.590 -4.946 1.00 1.15 H new ATOM 0 HB VAL B 209 0.401 16.190 -2.000 1.00 1.21 H new ATOM 0 HG11 VAL B 209 -1.626 14.784 -1.912 1.00 1.12 H new ATOM 0 HG12 VAL B 209 -1.859 16.228 -2.927 1.00 1.12 H new ATOM 0 HG13 VAL B 209 -1.594 14.640 -3.686 1.00 1.12 H new ATOM 0 HG21 VAL B 209 0.608 13.748 -1.691 1.00 1.26 H new ATOM 0 HG22 VAL B 209 0.767 13.547 -3.452 1.00 1.26 H new ATOM 0 HG23 VAL B 209 2.012 14.435 -2.542 1.00 1.26 H new HETATM 2648 N MLE B 210 -0.993 17.653 -5.182 1.00 1.12 N HETATM 2649 CN MLE B 210 -1.569 16.235 -6.147 1.00 1.01 C HETATM 2650 CA MLE B 210 -1.707 18.895 -5.428 1.00 1.21 C HETATM 2651 CB MLE B 210 -1.609 19.284 -6.904 1.00 1.29 C HETATM 2652 CG MLE B 210 -0.247 19.071 -7.565 1.00 1.33 C HETATM 2653 CD1 MLE B 210 -0.355 19.172 -9.088 1.00 1.46 C HETATM 2654 CD2 MLE B 210 0.795 20.038 -7.000 1.00 1.43 C HETATM 2655 C MLE B 210 -3.144 18.762 -4.921 1.00 1.19 C HETATM 2656 O MLE B 210 -3.495 17.762 -4.296 1.00 1.12 O HETATM 0 HD23 MLE B 210 0.476 21.064 -7.182 1.00 1.43 H new HETATM 0 HD22 MLE B 210 0.899 19.875 -5.927 1.00 1.43 H new HETATM 0 HD21 MLE B 210 1.754 19.865 -7.488 1.00 1.43 H new HETATM 0 HD13 MLE B 210 -1.044 18.412 -9.455 1.00 1.46 H new HETATM 0 HD12 MLE B 210 -0.725 20.160 -9.362 1.00 1.46 H new HETATM 0 HD11 MLE B 210 0.628 19.017 -9.534 1.00 1.46 H new HETATM 0 HN3 MLE B 210 -2.617 16.042 -5.920 1.00 1.01 H new HETATM 0 HN2 MLE B 210 -1.462 16.451 -7.210 1.00 1.01 H new HETATM 0 HN1 MLE B 210 -0.975 15.357 -5.893 1.00 1.01 H new HETATM 0 HG MLE B 210 0.091 18.061 -7.332 1.00 1.33 H new HETATM 0 HB3 MLE B 210 -2.353 18.714 -7.460 1.00 1.29 H new HETATM 0 HB2 MLE B 210 -1.877 20.336 -7.000 1.00 1.29 H new HETATM 0 HA MLE B 210 -1.249 19.714 -4.874 1.00 1.21 H new ATOM 2667 N ALA B 211 -3.937 19.784 -5.207 1.00 1.29 N ATOM 2668 CA ALA B 211 -5.330 19.788 -4.798 1.00 1.29 C ATOM 2669 C ALA B 211 -6.070 18.653 -5.509 1.00 1.18 C ATOM 2670 O ALA B 211 -5.877 18.436 -6.705 1.00 1.29 O ATOM 2671 CB ALA B 211 -5.944 21.159 -5.092 1.00 1.46 C ATOM 0 H ALA B 211 -3.640 20.616 -5.718 1.00 1.29 H new ATOM 0 HA ALA B 211 -5.415 19.615 -3.725 1.00 1.29 H new ATOM 0 HB1 ALA B 211 -6.990 21.163 -4.785 1.00 1.46 H new ATOM 0 HB2 ALA B 211 -5.401 21.927 -4.540 1.00 1.46 H new ATOM 0 HB3 ALA B 211 -5.879 21.365 -6.160 1.00 1.46 H new TER 2677 ALA B 211