USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=49 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 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 153 SER OG : rot -79:sc= 1.73 USER MOD Set 1.2: A 154 LYS NZ :NH3+ 156:sc= 1.23 (180deg=-0.274) USER MOD Set 2.1: A 147 SER OG : rot -110:sc= 2 USER MOD Set 2.2: A 149 ASN : amide:sc= -0.541 K(o=1.5,f=-5.1!) USER MOD Set 3.1: A 102 ASN : amide:sc= -0.467 K(o=-6.8,f=-13) USER MOD Set 3.2: A 126 HIS : no HE2:sc= -6.3! C(o=-6.8!,f=-21!) USER MOD Set 4.1: A 92 HIS : no HE2:sc= 0.311 K(o=1.6,f=-3.5) USER MOD Set 4.2: A 99 SER OG : rot 173:sc= 0.901 USER MOD Set 4.3: A 115 CYS SG : rot -12:sc= -0.355 USER MOD Set 4.4: A 119 THR OG1 : rot 51:sc= 0.722 USER MOD Set 5.1: A 62 CYS SG : rot -79:sc= -0.388 USER MOD Set 5.2: A 116 THR OG1 : rot 143:sc= 0.136 USER MOD Set 6.1: A 49 LYS NZ :NH3+ -125:sc= -2.13! (180deg=-8.31!) USER MOD Set 6.2: A 161 CYS SG : rot 85:sc= 1.43 USER MOD Set 7.1: A 41 THR OG1 : rot 84:sc= 0.736 USER MOD Set 7.2: A 163 GLN : amide:sc= -0.448 K(o=0.29,f=-2.5!) USER MOD Set 8.1: A 35 ASN : amide:sc= 0.846 K(o=0.53,f=-2.6!) USER MOD Set 8.2: A 77 SER OG : rot 105:sc= -0.314! USER MOD Set 9.1: A 1 MET N :NH3+ -154:sc= 0.871 (180deg=-0.14) USER MOD Set 9.2: A 3 ASN : amide:sc= 0.567 K(o=1.4,f=0.71) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000528) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.424 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= -0.0124 (180deg=-0.0841) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -83:sc= 1.43 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.356 (180deg=0.0886) USER MOD Single : A 48 TYR OH : rot -34:sc= 0.0313 USER MOD Single : A 51 SER OG : rot -19:sc= 0.562 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-2.5) USER MOD Single : A 61 MET CE :methyl 168:sc= -0.905 (180deg=-1.31) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.697 F(o=-1.4,f=0.7) USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.0858 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 71 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.2) USER MOD Single : A 73 THR OG1 : rot -130:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 1.04 (180deg=0.243) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0422) USER MOD Single : A 87 ASN : amide:sc= 0.493 K(o=0.49,f=-6.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.00249 USER MOD Single : A 100 MET CE :methyl 156:sc= -0.229 (180deg=-1.6) USER MOD Single : A 106 ASN : amide:sc= 0.459 K(o=0.46,f=-3.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -3.82 K(o=-3.8,f=-4.6!) USER MOD Single : A 110 SER OG : rot -149:sc= 1.23 USER MOD Single : A 111 GLN : amide:sc= 1.64 K(o=1.6,f=-7.2!) USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.08) USER MOD Single : A 125 LYS NZ :NH3+ 168:sc= 0.624 (180deg=0.561) USER MOD Single : A 131 LYS NZ :NH3+ -160:sc= 2.43 (180deg=1.99) USER MOD Single : A 133 LYS NZ :NH3+ -176:sc= 1.15 (180deg=1.08) USER MOD Single : A 136 MET CE :methyl -120:sc=-0.00305 (180deg=-0.00889) USER MOD Single : A 137 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.0057) USER MOD Single : A 142 MET CE :methyl 156:sc=-0.00543 (180deg=-0.927) USER MOD Single : A 151 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.15) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0462) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : B 205 BMT OG1 : rot 172:sc= -4.6! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.652 -18.818 -10.773 1.00 6.03 N ATOM 2 CA MET A 1 -1.641 -19.778 -10.363 1.00 4.75 C ATOM 3 C MET A 1 -0.763 -19.206 -9.248 1.00 3.40 C ATOM 4 O MET A 1 -0.459 -18.015 -9.240 1.00 4.04 O ATOM 5 CB MET A 1 -0.766 -20.143 -11.563 1.00 5.61 C ATOM 6 CG MET A 1 -1.590 -20.837 -12.651 1.00 6.69 C ATOM 7 SD MET A 1 -0.536 -21.293 -14.017 1.00 8.02 S ATOM 8 CE MET A 1 0.101 -22.847 -13.412 1.00 8.34 C ATOM 0 H1 MET A 1 -3.470 -19.323 -11.169 1.00 6.03 H new ATOM 0 H2 MET A 1 -2.955 -18.260 -9.949 1.00 6.03 H new ATOM 0 H3 MET A 1 -2.255 -18.183 -11.494 1.00 6.03 H new ATOM 0 HA MET A 1 -2.144 -20.668 -9.985 1.00 4.75 H new ATOM 0 HB2 MET A 1 -0.305 -19.242 -11.969 1.00 5.61 H new ATOM 0 HB3 MET A 1 0.044 -20.798 -11.242 1.00 5.61 H new ATOM 0 HG2 MET A 1 -2.074 -21.724 -12.242 1.00 6.69 H new ATOM 0 HG3 MET A 1 -2.382 -20.173 -12.998 1.00 6.69 H new ATOM 0 HE1 MET A 1 0.769 -23.281 -14.156 1.00 8.34 H new ATOM 0 HE2 MET A 1 0.650 -22.679 -12.486 1.00 8.34 H new ATOM 0 HE3 MET A 1 -0.727 -23.531 -13.224 1.00 8.34 H new ATOM 18 N VAL A 2 -0.381 -20.083 -8.330 1.00 2.56 N ATOM 19 CA VAL A 2 0.449 -19.680 -7.208 1.00 2.47 C ATOM 20 C VAL A 2 -0.306 -18.648 -6.367 1.00 2.04 C ATOM 21 O VAL A 2 -0.897 -18.989 -5.343 1.00 3.48 O ATOM 22 CB VAL A 2 1.798 -19.166 -7.713 1.00 3.75 C ATOM 23 CG1 VAL A 2 2.671 -18.686 -6.553 1.00 4.85 C ATOM 24 CG2 VAL A 2 2.520 -20.237 -8.535 1.00 4.77 C ATOM 0 H VAL A 2 -0.632 -21.072 -8.341 1.00 2.56 H new ATOM 0 HA VAL A 2 0.662 -20.533 -6.564 1.00 2.47 H new ATOM 0 HB VAL A 2 1.608 -18.313 -8.365 1.00 3.75 H new ATOM 0 HG11 VAL A 2 3.624 -18.326 -6.940 1.00 4.85 H new ATOM 0 HG12 VAL A 2 2.164 -17.877 -6.027 1.00 4.85 H new ATOM 0 HG13 VAL A 2 2.848 -19.512 -5.865 1.00 4.85 H new ATOM 0 HG21 VAL A 2 3.476 -19.846 -8.882 1.00 4.77 H new ATOM 0 HG22 VAL A 2 2.691 -21.117 -7.915 1.00 4.77 H new ATOM 0 HG23 VAL A 2 1.907 -20.511 -9.394 1.00 4.77 H new ATOM 34 N ASN A 3 -0.263 -17.408 -6.830 1.00 1.31 N ATOM 35 CA ASN A 3 -0.878 -16.314 -6.099 1.00 0.87 C ATOM 36 C ASN A 3 -0.425 -16.363 -4.638 1.00 0.80 C ATOM 37 O ASN A 3 -1.085 -16.974 -3.799 1.00 0.95 O ATOM 38 CB ASN A 3 -2.404 -16.425 -6.123 1.00 1.16 C ATOM 39 CG ASN A 3 -2.984 -15.736 -7.361 1.00 1.31 C ATOM 40 OD1 ASN A 3 -3.762 -14.801 -7.275 1.00 2.76 O ATOM 41 ND2 ASN A 3 -2.562 -16.250 -8.513 1.00 1.40 N ATOM 0 H ASN A 3 0.189 -17.136 -7.703 1.00 1.31 H new ATOM 0 HA ASN A 3 -0.576 -15.380 -6.573 1.00 0.87 H new ATOM 0 HB2 ASN A 3 -2.696 -17.475 -6.116 1.00 1.16 H new ATOM 0 HB3 ASN A 3 -2.819 -15.973 -5.222 1.00 1.16 H new ATOM 0 HD21 ASN A 3 -2.891 -15.860 -9.396 1.00 1.40 H new ATOM 0 HD22 ASN A 3 -1.909 -17.034 -8.513 1.00 1.40 H new ATOM 48 N PRO A 4 0.729 -15.693 -4.371 1.00 0.86 N ATOM 49 CA PRO A 4 1.296 -15.682 -3.034 1.00 0.97 C ATOM 50 C PRO A 4 0.504 -14.753 -2.112 1.00 0.73 C ATOM 51 O PRO A 4 -0.029 -13.738 -2.556 1.00 0.83 O ATOM 52 CB PRO A 4 2.739 -15.243 -3.222 1.00 1.35 C ATOM 53 CG PRO A 4 2.799 -14.582 -4.588 1.00 1.43 C ATOM 54 CD PRO A 4 1.522 -14.934 -5.334 1.00 1.12 C ATOM 0 HA PRO A 4 1.251 -16.657 -2.549 1.00 0.97 H new ATOM 0 HB2 PRO A 4 3.041 -14.548 -2.438 1.00 1.35 H new ATOM 0 HB3 PRO A 4 3.416 -16.095 -3.171 1.00 1.35 H new ATOM 0 HG2 PRO A 4 2.895 -13.501 -4.485 1.00 1.43 H new ATOM 0 HG3 PRO A 4 3.672 -14.928 -5.141 1.00 1.43 H new ATOM 0 HD2 PRO A 4 0.995 -14.038 -5.662 1.00 1.12 H new ATOM 0 HD3 PRO A 4 1.734 -15.524 -6.226 1.00 1.12 H new ATOM 62 N THR A 5 0.452 -15.134 -0.843 1.00 0.75 N ATOM 63 CA THR A 5 -0.344 -14.401 0.126 1.00 0.62 C ATOM 64 C THR A 5 0.557 -13.781 1.196 1.00 0.55 C ATOM 65 O THR A 5 1.553 -14.380 1.598 1.00 0.66 O ATOM 66 CB THR A 5 -1.393 -15.358 0.696 1.00 0.84 C ATOM 67 OG1 THR A 5 -2.091 -15.832 -0.454 1.00 1.30 O ATOM 68 CG2 THR A 5 -2.466 -14.633 1.510 1.00 0.92 C ATOM 0 H THR A 5 0.948 -15.941 -0.464 1.00 0.75 H new ATOM 0 HA THR A 5 -0.865 -13.565 -0.341 1.00 0.62 H new ATOM 0 HB THR A 5 -0.903 -16.102 1.323 1.00 0.84 H new ATOM 0 HG1 THR A 5 -2.790 -16.461 -0.177 1.00 1.30 H new ATOM 0 HG21 THR A 5 -3.185 -15.358 1.891 1.00 0.92 H new ATOM 0 HG22 THR A 5 -1.999 -14.112 2.345 1.00 0.92 H new ATOM 0 HG23 THR A 5 -2.980 -13.912 0.874 1.00 0.92 H new ATOM 76 N VAL A 6 0.173 -12.588 1.627 1.00 0.52 N ATOM 77 CA VAL A 6 0.923 -11.888 2.656 1.00 0.53 C ATOM 78 C VAL A 6 -0.050 -11.290 3.673 1.00 0.54 C ATOM 79 O VAL A 6 -1.262 -11.315 3.467 1.00 0.69 O ATOM 80 CB VAL A 6 1.837 -10.840 2.015 1.00 0.62 C ATOM 81 CG1 VAL A 6 2.756 -11.478 0.973 1.00 1.12 C ATOM 82 CG2 VAL A 6 1.019 -9.702 1.402 1.00 1.17 C ATOM 0 H VAL A 6 -0.647 -12.089 1.283 1.00 0.52 H new ATOM 0 HA VAL A 6 1.571 -12.580 3.194 1.00 0.53 H new ATOM 0 HB VAL A 6 2.464 -10.417 2.800 1.00 0.62 H new ATOM 0 HG11 VAL A 6 3.394 -10.712 0.533 1.00 1.12 H new ATOM 0 HG12 VAL A 6 3.376 -12.237 1.451 1.00 1.12 H new ATOM 0 HG13 VAL A 6 2.154 -11.941 0.191 1.00 1.12 H new ATOM 0 HG21 VAL A 6 1.692 -8.971 0.953 1.00 1.17 H new ATOM 0 HG22 VAL A 6 0.355 -10.103 0.636 1.00 1.17 H new ATOM 0 HG23 VAL A 6 0.426 -9.220 2.180 1.00 1.17 H new ATOM 92 N PHE A 7 0.516 -10.765 4.750 1.00 0.64 N ATOM 93 CA PHE A 7 -0.275 -10.068 5.749 1.00 0.78 C ATOM 94 C PHE A 7 0.561 -9.013 6.474 1.00 0.60 C ATOM 95 O PHE A 7 1.773 -9.169 6.620 1.00 0.60 O ATOM 96 CB PHE A 7 -0.741 -11.116 6.762 1.00 1.11 C ATOM 97 CG PHE A 7 0.367 -11.624 7.687 1.00 0.87 C ATOM 98 CD1 PHE A 7 0.688 -10.925 8.809 1.00 1.87 C ATOM 99 CD2 PHE A 7 1.031 -12.772 7.388 1.00 1.82 C ATOM 100 CE1 PHE A 7 1.716 -11.394 9.668 1.00 2.08 C ATOM 101 CE2 PHE A 7 2.059 -13.241 8.247 1.00 2.05 C ATOM 102 CZ PHE A 7 2.380 -12.543 9.368 1.00 1.57 C ATOM 0 H PHE A 7 1.515 -10.809 4.952 1.00 0.64 H new ATOM 0 HA PHE A 7 -1.114 -9.562 5.271 1.00 0.78 H new ATOM 0 HB2 PHE A 7 -1.540 -10.690 7.369 1.00 1.11 H new ATOM 0 HB3 PHE A 7 -1.167 -11.963 6.224 1.00 1.11 H new ATOM 0 HD1 PHE A 7 0.160 -10.013 9.046 1.00 1.87 H new ATOM 0 HD2 PHE A 7 0.776 -13.327 6.497 1.00 1.82 H new ATOM 0 HE1 PHE A 7 1.971 -10.839 10.559 1.00 2.08 H new ATOM 0 HE2 PHE A 7 2.586 -14.153 8.010 1.00 2.05 H new ATOM 0 HZ PHE A 7 3.162 -12.900 10.021 1.00 1.57 H new ATOM 112 N PHE A 8 -0.117 -7.962 6.908 1.00 0.76 N ATOM 113 CA PHE A 8 0.526 -6.935 7.710 1.00 0.75 C ATOM 114 C PHE A 8 -0.329 -6.573 8.927 1.00 0.65 C ATOM 115 O PHE A 8 -1.486 -6.182 8.782 1.00 0.90 O ATOM 116 CB PHE A 8 0.673 -5.699 6.821 1.00 1.13 C ATOM 117 CG PHE A 8 1.787 -5.813 5.777 1.00 1.30 C ATOM 118 CD1 PHE A 8 1.576 -6.517 4.633 1.00 2.33 C ATOM 119 CD2 PHE A 8 2.986 -5.211 5.994 1.00 2.54 C ATOM 120 CE1 PHE A 8 2.609 -6.623 3.664 1.00 3.31 C ATOM 121 CE2 PHE A 8 4.020 -5.316 5.026 1.00 3.33 C ATOM 122 CZ PHE A 8 3.808 -6.021 3.881 1.00 3.42 C ATOM 0 H PHE A 8 -1.106 -7.799 6.720 1.00 0.76 H new ATOM 0 HA PHE A 8 1.490 -7.295 8.070 1.00 0.75 H new ATOM 0 HB2 PHE A 8 -0.273 -5.517 6.310 1.00 1.13 H new ATOM 0 HB3 PHE A 8 0.867 -4.831 7.452 1.00 1.13 H new ATOM 0 HD1 PHE A 8 0.623 -6.995 4.461 1.00 2.33 H new ATOM 0 HD2 PHE A 8 3.153 -4.652 6.903 1.00 2.54 H new ATOM 0 HE1 PHE A 8 2.442 -7.182 2.755 1.00 3.31 H new ATOM 0 HE2 PHE A 8 4.973 -4.837 5.198 1.00 3.33 H new ATOM 0 HZ PHE A 8 4.593 -6.102 3.144 1.00 3.42 H new ATOM 132 N ASP A 9 0.273 -6.718 10.098 1.00 0.52 N ATOM 133 CA ASP A 9 -0.417 -6.406 11.338 1.00 0.51 C ATOM 134 C ASP A 9 -0.394 -4.892 11.561 1.00 0.51 C ATOM 135 O ASP A 9 0.672 -4.280 11.583 1.00 0.59 O ATOM 136 CB ASP A 9 0.271 -7.070 12.533 1.00 0.62 C ATOM 137 CG ASP A 9 -0.462 -6.916 13.868 1.00 1.09 C ATOM 138 OD1 ASP A 9 -0.530 -5.765 14.349 1.00 2.22 O ATOM 139 OD2 ASP A 9 -0.937 -7.954 14.377 1.00 1.86 O ATOM 0 H ASP A 9 1.231 -7.047 10.214 1.00 0.52 H new ATOM 0 HA ASP A 9 -1.439 -6.777 11.258 1.00 0.51 H new ATOM 0 HB2 ASP A 9 0.389 -8.133 12.321 1.00 0.62 H new ATOM 0 HB3 ASP A 9 1.272 -6.652 12.635 1.00 0.62 H new ATOM 144 N ILE A 10 -1.584 -4.332 11.721 1.00 0.57 N ATOM 145 CA ILE A 10 -1.722 -2.892 11.849 1.00 0.67 C ATOM 146 C ILE A 10 -1.921 -2.532 13.322 1.00 0.75 C ATOM 147 O ILE A 10 -2.721 -3.156 14.015 1.00 0.82 O ATOM 148 CB ILE A 10 -2.837 -2.378 10.935 1.00 0.80 C ATOM 149 CG1 ILE A 10 -2.744 -3.012 9.546 1.00 1.08 C ATOM 150 CG2 ILE A 10 -2.829 -0.849 10.868 1.00 1.22 C ATOM 151 CD1 ILE A 10 -1.422 -2.649 8.864 1.00 1.23 C ATOM 0 H ILE A 10 -2.462 -4.850 11.765 1.00 0.57 H new ATOM 0 HA ILE A 10 -0.812 -2.391 11.518 1.00 0.67 H new ATOM 0 HB ILE A 10 -3.794 -2.678 11.362 1.00 0.80 H new ATOM 0 HG12 ILE A 10 -2.828 -4.095 9.631 1.00 1.08 H new ATOM 0 HG13 ILE A 10 -3.579 -2.675 8.932 1.00 1.08 H new ATOM 0 HG21 ILE A 10 -3.631 -0.509 10.212 1.00 1.22 H new ATOM 0 HG22 ILE A 10 -2.980 -0.440 11.867 1.00 1.22 H new ATOM 0 HG23 ILE A 10 -1.871 -0.507 10.477 1.00 1.22 H new ATOM 0 HD11 ILE A 10 -1.382 -3.113 7.878 1.00 1.23 H new ATOM 0 HD12 ILE A 10 -1.352 -1.566 8.759 1.00 1.23 H new ATOM 0 HD13 ILE A 10 -0.590 -3.009 9.469 1.00 1.23 H new ATOM 163 N ALA A 11 -1.175 -1.525 13.757 1.00 0.81 N ATOM 164 CA ALA A 11 -1.254 -1.079 15.138 1.00 0.90 C ATOM 165 C ALA A 11 -1.561 0.419 15.169 1.00 0.96 C ATOM 166 O ALA A 11 -0.825 1.219 14.595 1.00 1.06 O ATOM 167 CB ALA A 11 0.052 -1.422 15.859 1.00 0.95 C ATOM 0 H ALA A 11 -0.514 -1.007 13.178 1.00 0.81 H new ATOM 0 HA ALA A 11 -2.061 -1.591 15.662 1.00 0.90 H new ATOM 0 HB1 ALA A 11 -0.006 -1.088 16.895 1.00 0.95 H new ATOM 0 HB2 ALA A 11 0.209 -2.500 15.834 1.00 0.95 H new ATOM 0 HB3 ALA A 11 0.884 -0.922 15.363 1.00 0.95 H new ATOM 173 N VAL A 12 -2.650 0.752 15.847 1.00 0.96 N ATOM 174 CA VAL A 12 -3.041 2.144 15.996 1.00 1.04 C ATOM 175 C VAL A 12 -2.707 2.614 17.413 1.00 1.14 C ATOM 176 O VAL A 12 -3.454 2.344 18.352 1.00 1.21 O ATOM 177 CB VAL A 12 -4.521 2.313 15.643 1.00 1.10 C ATOM 178 CG1 VAL A 12 -4.968 3.763 15.835 1.00 1.21 C ATOM 179 CG2 VAL A 12 -4.801 1.836 14.216 1.00 1.05 C ATOM 0 H VAL A 12 -3.273 0.083 16.299 1.00 0.96 H new ATOM 0 HA VAL A 12 -2.482 2.774 15.304 1.00 1.04 H new ATOM 0 HB VAL A 12 -5.102 1.691 16.324 1.00 1.10 H new ATOM 0 HG11 VAL A 12 -6.023 3.856 15.577 1.00 1.21 H new ATOM 0 HG12 VAL A 12 -4.821 4.054 16.875 1.00 1.21 H new ATOM 0 HG13 VAL A 12 -4.378 4.414 15.189 1.00 1.21 H new ATOM 0 HG21 VAL A 12 -5.859 1.967 13.990 1.00 1.05 H new ATOM 0 HG22 VAL A 12 -4.205 2.419 13.514 1.00 1.05 H new ATOM 0 HG23 VAL A 12 -4.538 0.782 14.127 1.00 1.05 H new ATOM 189 N ASP A 13 -1.585 3.310 17.522 1.00 1.16 N ATOM 190 CA ASP A 13 -1.129 3.796 18.813 1.00 1.25 C ATOM 191 C ASP A 13 -1.159 2.649 19.825 1.00 1.29 C ATOM 192 O ASP A 13 -2.110 2.519 20.594 1.00 1.35 O ATOM 193 CB ASP A 13 -2.037 4.911 19.335 1.00 1.34 C ATOM 194 CG ASP A 13 -2.015 6.201 18.513 1.00 1.66 C ATOM 195 OD1 ASP A 13 -2.656 6.201 17.441 1.00 2.48 O ATOM 196 OD2 ASP A 13 -1.358 7.157 18.976 1.00 2.48 O ATOM 0 H ASP A 13 -0.978 3.549 16.738 1.00 1.16 H new ATOM 0 HA ASP A 13 -0.118 4.184 18.689 1.00 1.25 H new ATOM 0 HB2 ASP A 13 -3.061 4.538 19.371 1.00 1.34 H new ATOM 0 HB3 ASP A 13 -1.747 5.146 20.359 1.00 1.34 H new ATOM 201 N GLY A 14 -0.106 1.845 19.793 1.00 1.29 N ATOM 202 CA GLY A 14 0.045 0.771 20.759 1.00 1.37 C ATOM 203 C GLY A 14 -1.259 -0.011 20.920 1.00 1.38 C ATOM 204 O GLY A 14 -1.673 -0.311 22.039 1.00 1.51 O ATOM 0 H GLY A 14 0.651 1.916 19.113 1.00 1.29 H new ATOM 0 HA2 GLY A 14 0.839 0.097 20.438 1.00 1.37 H new ATOM 0 HA3 GLY A 14 0.347 1.183 21.722 1.00 1.37 H new ATOM 208 N GLU A 15 -1.873 -0.316 19.788 1.00 1.25 N ATOM 209 CA GLU A 15 -3.091 -1.107 19.785 1.00 1.26 C ATOM 210 C GLU A 15 -3.249 -1.836 18.449 1.00 1.13 C ATOM 211 O GLU A 15 -3.602 -1.224 17.442 1.00 1.17 O ATOM 212 CB GLU A 15 -4.313 -0.236 20.081 1.00 1.35 C ATOM 213 CG GLU A 15 -5.519 -1.094 20.468 1.00 1.47 C ATOM 214 CD GLU A 15 -6.756 -0.225 20.707 1.00 2.61 C ATOM 215 OE1 GLU A 15 -7.362 0.190 19.696 1.00 4.12 O ATOM 216 OE2 GLU A 15 -7.066 0.005 21.897 1.00 2.93 O ATOM 0 H GLU A 15 -1.549 -0.029 18.864 1.00 1.25 H new ATOM 0 HA GLU A 15 -3.017 -1.852 20.577 1.00 1.26 H new ATOM 0 HB2 GLU A 15 -4.082 0.458 20.889 1.00 1.35 H new ATOM 0 HB3 GLU A 15 -4.556 0.365 19.205 1.00 1.35 H new ATOM 0 HG2 GLU A 15 -5.725 -1.816 19.678 1.00 1.47 H new ATOM 0 HG3 GLU A 15 -5.291 -1.664 21.369 1.00 1.47 H new ATOM 223 N PRO A 16 -2.972 -3.168 18.484 1.00 1.04 N ATOM 224 CA PRO A 16 -3.061 -3.982 17.284 1.00 0.94 C ATOM 225 C PRO A 16 -4.521 -4.260 16.916 1.00 0.85 C ATOM 226 O PRO A 16 -5.228 -4.949 17.649 1.00 0.87 O ATOM 227 CB PRO A 16 -2.280 -5.245 17.607 1.00 1.01 C ATOM 228 CG PRO A 16 -2.177 -5.296 19.122 1.00 1.10 C ATOM 229 CD PRO A 16 -2.569 -3.929 19.662 1.00 1.09 C ATOM 0 HA PRO A 16 -2.645 -3.485 16.407 1.00 0.94 H new ATOM 0 HB2 PRO A 16 -2.789 -6.128 17.220 1.00 1.01 H new ATOM 0 HB3 PRO A 16 -1.291 -5.220 17.149 1.00 1.01 H new ATOM 0 HG2 PRO A 16 -2.834 -6.068 19.524 1.00 1.10 H new ATOM 0 HG3 PRO A 16 -1.162 -5.550 19.427 1.00 1.10 H new ATOM 0 HD2 PRO A 16 -3.384 -4.006 20.382 1.00 1.09 H new ATOM 0 HD3 PRO A 16 -1.734 -3.452 20.176 1.00 1.09 H new ATOM 237 N LEU A 17 -4.927 -3.708 15.783 1.00 0.87 N ATOM 238 CA LEU A 17 -6.284 -3.903 15.300 1.00 0.95 C ATOM 239 C LEU A 17 -6.455 -5.353 14.845 1.00 0.89 C ATOM 240 O LEU A 17 -7.464 -5.988 15.148 1.00 1.03 O ATOM 241 CB LEU A 17 -6.620 -2.875 14.218 1.00 1.16 C ATOM 242 CG LEU A 17 -7.337 -1.609 14.694 1.00 0.66 C ATOM 243 CD1 LEU A 17 -8.756 -1.928 15.166 1.00 1.03 C ATOM 244 CD2 LEU A 17 -6.522 -0.892 15.772 1.00 1.90 C ATOM 0 H LEU A 17 -4.341 -3.126 15.185 1.00 0.87 H new ATOM 0 HA LEU A 17 -7.002 -3.734 16.102 1.00 0.95 H new ATOM 0 HB2 LEU A 17 -5.694 -2.580 13.725 1.00 1.16 H new ATOM 0 HB3 LEU A 17 -7.242 -3.359 13.465 1.00 1.16 H new ATOM 0 HG LEU A 17 -7.425 -0.927 13.849 1.00 0.66 H new ATOM 0 HD11 LEU A 17 -9.243 -1.012 15.499 1.00 1.03 H new ATOM 0 HD12 LEU A 17 -9.324 -2.363 14.344 1.00 1.03 H new ATOM 0 HD13 LEU A 17 -8.714 -2.637 15.993 1.00 1.03 H new ATOM 0 HD21 LEU A 17 -7.053 0.004 16.094 1.00 1.90 H new ATOM 0 HD22 LEU A 17 -6.382 -1.557 16.625 1.00 1.90 H new ATOM 0 HD23 LEU A 17 -5.550 -0.612 15.367 1.00 1.90 H new ATOM 256 N GLY A 18 -5.454 -5.837 14.123 1.00 0.79 N ATOM 257 CA GLY A 18 -5.477 -7.203 13.631 1.00 0.89 C ATOM 258 C GLY A 18 -4.744 -7.317 12.293 1.00 0.76 C ATOM 259 O GLY A 18 -4.181 -6.338 11.805 1.00 0.83 O ATOM 0 H GLY A 18 -4.621 -5.306 13.867 1.00 0.79 H new ATOM 0 HA2 GLY A 18 -5.012 -7.864 14.362 1.00 0.89 H new ATOM 0 HA3 GLY A 18 -6.509 -7.534 13.514 1.00 0.89 H new ATOM 263 N ARG A 19 -4.776 -8.519 11.738 1.00 0.92 N ATOM 264 CA ARG A 19 -4.124 -8.772 10.464 1.00 0.84 C ATOM 265 C ARG A 19 -5.122 -8.606 9.316 1.00 0.69 C ATOM 266 O ARG A 19 -6.199 -9.200 9.333 1.00 0.88 O ATOM 267 CB ARG A 19 -3.535 -10.184 10.418 1.00 1.08 C ATOM 268 CG ARG A 19 -2.134 -10.212 11.032 1.00 1.24 C ATOM 269 CD ARG A 19 -2.206 -10.334 12.556 1.00 2.14 C ATOM 270 NE ARG A 19 -0.841 -10.353 13.127 1.00 2.98 N ATOM 271 CZ ARG A 19 0.055 -11.323 12.903 1.00 3.64 C ATOM 272 NH1 ARG A 19 -0.349 -12.511 12.432 1.00 3.92 N ATOM 273 NH2 ARG A 19 1.354 -11.107 13.149 1.00 4.96 N ATOM 0 H ARG A 19 -5.243 -9.329 12.147 1.00 0.92 H new ATOM 0 HA ARG A 19 -3.315 -8.049 10.355 1.00 0.84 H new ATOM 0 HB2 ARG A 19 -4.186 -10.872 10.957 1.00 1.08 H new ATOM 0 HB3 ARG A 19 -3.491 -10.530 9.385 1.00 1.08 H new ATOM 0 HG2 ARG A 19 -1.570 -11.050 10.623 1.00 1.24 H new ATOM 0 HG3 ARG A 19 -1.596 -9.303 10.761 1.00 1.24 H new ATOM 0 HD2 ARG A 19 -2.771 -9.498 12.970 1.00 2.14 H new ATOM 0 HD3 ARG A 19 -2.737 -11.245 12.831 1.00 2.14 H new ATOM 0 HE ARG A 19 -0.565 -9.578 13.730 1.00 2.98 H new ATOM 0 HH11 ARG A 19 -1.338 -12.676 12.244 1.00 3.92 H new ATOM 0 HH12 ARG A 19 0.333 -13.250 12.261 1.00 3.92 H new ATOM 0 HH21 ARG A 19 1.662 -10.203 13.507 1.00 4.96 H new ATOM 0 HH22 ARG A 19 2.035 -11.847 12.978 1.00 4.96 H new ATOM 287 N VAL A 20 -4.729 -7.796 8.344 1.00 0.72 N ATOM 288 CA VAL A 20 -5.586 -7.523 7.203 1.00 0.88 C ATOM 289 C VAL A 20 -5.507 -8.693 6.220 1.00 1.41 C ATOM 290 O VAL A 20 -6.529 -9.274 5.859 1.00 3.36 O ATOM 291 CB VAL A 20 -5.204 -6.184 6.569 1.00 0.76 C ATOM 292 CG1 VAL A 20 -5.830 -6.035 5.181 1.00 0.81 C ATOM 293 CG2 VAL A 20 -5.596 -5.016 7.476 1.00 0.86 C ATOM 0 H VAL A 20 -3.827 -7.319 8.323 1.00 0.72 H new ATOM 0 HA VAL A 20 -6.625 -7.433 7.520 1.00 0.88 H new ATOM 0 HB VAL A 20 -4.121 -6.167 6.451 1.00 0.76 H new ATOM 0 HG11 VAL A 20 -5.542 -5.075 4.753 1.00 0.81 H new ATOM 0 HG12 VAL A 20 -5.479 -6.840 4.535 1.00 0.81 H new ATOM 0 HG13 VAL A 20 -6.916 -6.084 5.264 1.00 0.81 H new ATOM 0 HG21 VAL A 20 -5.313 -4.076 7.002 1.00 0.86 H new ATOM 0 HG22 VAL A 20 -6.673 -5.029 7.641 1.00 0.86 H new ATOM 0 HG23 VAL A 20 -5.081 -5.109 8.432 1.00 0.86 H new ATOM 303 N SER A 21 -4.284 -9.005 5.818 1.00 0.79 N ATOM 304 CA SER A 21 -4.053 -10.130 4.927 1.00 0.73 C ATOM 305 C SER A 21 -4.426 -9.747 3.493 1.00 0.69 C ATOM 306 O SER A 21 -5.557 -9.345 3.228 1.00 0.79 O ATOM 307 CB SER A 21 -4.850 -11.358 5.373 1.00 0.98 C ATOM 308 OG SER A 21 -5.009 -11.406 6.787 1.00 1.86 O ATOM 0 H SER A 21 -3.442 -8.499 6.093 1.00 0.79 H new ATOM 0 HA SER A 21 -2.994 -10.384 4.964 1.00 0.73 H new ATOM 0 HB2 SER A 21 -5.831 -11.346 4.898 1.00 0.98 H new ATOM 0 HB3 SER A 21 -4.343 -12.262 5.034 1.00 0.98 H new ATOM 0 HG SER A 21 -5.524 -12.203 7.031 1.00 1.86 H new ATOM 314 N PHE A 22 -3.451 -9.885 2.606 1.00 0.64 N ATOM 315 CA PHE A 22 -3.669 -9.583 1.202 1.00 0.64 C ATOM 316 C PHE A 22 -3.213 -10.743 0.315 1.00 0.66 C ATOM 317 O PHE A 22 -2.469 -11.614 0.760 1.00 0.98 O ATOM 318 CB PHE A 22 -2.831 -8.346 0.875 1.00 0.64 C ATOM 319 CG PHE A 22 -2.967 -7.215 1.895 1.00 0.69 C ATOM 320 CD1 PHE A 22 -2.210 -7.222 3.025 1.00 1.80 C ATOM 321 CD2 PHE A 22 -3.846 -6.200 1.673 1.00 1.48 C ATOM 322 CE1 PHE A 22 -2.336 -6.172 3.972 1.00 1.89 C ATOM 323 CE2 PHE A 22 -3.972 -5.150 2.620 1.00 1.50 C ATOM 324 CZ PHE A 22 -3.215 -5.158 3.749 1.00 0.94 C ATOM 0 H PHE A 22 -2.508 -10.202 2.833 1.00 0.64 H new ATOM 0 HA PHE A 22 -4.730 -9.415 1.018 1.00 0.64 H new ATOM 0 HB2 PHE A 22 -1.783 -8.637 0.808 1.00 0.64 H new ATOM 0 HB3 PHE A 22 -3.121 -7.973 -0.107 1.00 0.64 H new ATOM 0 HD1 PHE A 22 -1.512 -8.027 3.202 1.00 1.80 H new ATOM 0 HD2 PHE A 22 -4.448 -6.193 0.776 1.00 1.48 H new ATOM 0 HE1 PHE A 22 -1.734 -6.178 4.869 1.00 1.89 H new ATOM 0 HE2 PHE A 22 -4.670 -4.345 2.443 1.00 1.50 H new ATOM 0 HZ PHE A 22 -3.311 -4.359 4.469 1.00 0.94 H new ATOM 334 N GLU A 23 -3.679 -10.716 -0.926 1.00 0.50 N ATOM 335 CA GLU A 23 -3.257 -11.703 -1.906 1.00 0.57 C ATOM 336 C GLU A 23 -2.712 -11.008 -3.156 1.00 0.65 C ATOM 337 O GLU A 23 -3.329 -10.079 -3.673 1.00 1.50 O ATOM 338 CB GLU A 23 -4.404 -12.650 -2.261 1.00 0.81 C ATOM 339 CG GLU A 23 -5.726 -11.889 -2.376 1.00 1.17 C ATOM 340 CD GLU A 23 -6.861 -12.823 -2.803 1.00 1.36 C ATOM 341 OE1 GLU A 23 -6.573 -13.738 -3.604 1.00 1.94 O ATOM 342 OE2 GLU A 23 -7.991 -12.601 -2.318 1.00 2.05 O ATOM 0 H GLU A 23 -4.344 -10.026 -1.275 1.00 0.50 H new ATOM 0 HA GLU A 23 -2.459 -12.303 -1.469 1.00 0.57 H new ATOM 0 HB2 GLU A 23 -4.187 -13.153 -3.203 1.00 0.81 H new ATOM 0 HB3 GLU A 23 -4.491 -13.424 -1.499 1.00 0.81 H new ATOM 0 HG2 GLU A 23 -5.970 -11.429 -1.418 1.00 1.17 H new ATOM 0 HG3 GLU A 23 -5.623 -11.081 -3.100 1.00 1.17 H new ATOM 349 N LEU A 24 -1.561 -11.487 -3.605 1.00 0.71 N ATOM 350 CA LEU A 24 -0.868 -10.853 -4.713 1.00 0.68 C ATOM 351 C LEU A 24 -1.142 -11.637 -5.998 1.00 0.69 C ATOM 352 O LEU A 24 -1.204 -12.866 -5.977 1.00 0.94 O ATOM 353 CB LEU A 24 0.621 -10.696 -4.395 1.00 0.79 C ATOM 354 CG LEU A 24 0.955 -9.978 -3.086 1.00 0.96 C ATOM 355 CD1 LEU A 24 2.453 -10.057 -2.785 1.00 2.12 C ATOM 356 CD2 LEU A 24 0.449 -8.534 -3.108 1.00 1.78 C ATOM 0 H LEU A 24 -1.091 -12.307 -3.221 1.00 0.71 H new ATOM 0 HA LEU A 24 -1.246 -9.843 -4.869 1.00 0.68 H new ATOM 0 HB2 LEU A 24 1.073 -11.688 -4.368 1.00 0.79 H new ATOM 0 HB3 LEU A 24 1.092 -10.153 -5.215 1.00 0.79 H new ATOM 0 HG LEU A 24 0.436 -10.488 -2.274 1.00 0.96 H new ATOM 0 HD11 LEU A 24 2.664 -9.539 -1.849 1.00 2.12 H new ATOM 0 HD12 LEU A 24 2.752 -11.102 -2.697 1.00 2.12 H new ATOM 0 HD13 LEU A 24 3.012 -9.587 -3.594 1.00 2.12 H new ATOM 0 HD21 LEU A 24 0.699 -8.046 -2.166 1.00 1.78 H new ATOM 0 HD22 LEU A 24 0.919 -7.996 -3.931 1.00 1.78 H new ATOM 0 HD23 LEU A 24 -0.633 -8.530 -3.243 1.00 1.78 H new ATOM 368 N PHE A 25 -1.301 -10.895 -7.083 1.00 0.63 N ATOM 369 CA PHE A 25 -1.502 -11.508 -8.386 1.00 0.63 C ATOM 370 C PHE A 25 -0.184 -11.602 -9.157 1.00 0.64 C ATOM 371 O PHE A 25 0.045 -10.842 -10.097 1.00 0.80 O ATOM 372 CB PHE A 25 -2.469 -10.609 -9.160 1.00 0.67 C ATOM 373 CG PHE A 25 -3.873 -10.542 -8.556 1.00 0.66 C ATOM 374 CD1 PHE A 25 -4.594 -11.681 -8.382 1.00 1.60 C ATOM 375 CD2 PHE A 25 -4.401 -9.341 -8.194 1.00 1.81 C ATOM 376 CE1 PHE A 25 -5.897 -11.619 -7.822 1.00 1.64 C ATOM 377 CE2 PHE A 25 -5.704 -9.278 -7.634 1.00 1.89 C ATOM 378 CZ PHE A 25 -6.425 -10.418 -7.461 1.00 0.92 C ATOM 0 H PHE A 25 -1.295 -9.875 -7.088 1.00 0.63 H new ATOM 0 HA PHE A 25 -1.894 -12.518 -8.265 1.00 0.63 H new ATOM 0 HB2 PHE A 25 -2.055 -9.602 -9.205 1.00 0.67 H new ATOM 0 HB3 PHE A 25 -2.543 -10.970 -10.186 1.00 0.67 H new ATOM 0 HD1 PHE A 25 -4.175 -12.634 -8.670 1.00 1.60 H new ATOM 0 HD2 PHE A 25 -3.829 -8.436 -8.333 1.00 1.81 H new ATOM 0 HE1 PHE A 25 -6.469 -12.525 -7.683 1.00 1.64 H new ATOM 0 HE2 PHE A 25 -6.123 -8.325 -7.345 1.00 1.89 H new ATOM 0 HZ PHE A 25 -7.417 -10.370 -7.037 1.00 0.92 H new ATOM 388 N ALA A 26 0.648 -12.541 -8.731 1.00 0.55 N ATOM 389 CA ALA A 26 1.987 -12.660 -9.283 1.00 0.61 C ATOM 390 C ALA A 26 1.930 -13.476 -10.576 1.00 0.72 C ATOM 391 O ALA A 26 2.960 -13.728 -11.201 1.00 1.03 O ATOM 392 CB ALA A 26 2.916 -13.284 -8.239 1.00 0.75 C ATOM 0 H ALA A 26 0.421 -13.226 -8.010 1.00 0.55 H new ATOM 0 HA ALA A 26 2.389 -11.678 -9.531 1.00 0.61 H new ATOM 0 HB1 ALA A 26 3.920 -13.373 -8.653 1.00 0.75 H new ATOM 0 HB2 ALA A 26 2.944 -12.651 -7.352 1.00 0.75 H new ATOM 0 HB3 ALA A 26 2.546 -14.273 -7.967 1.00 0.75 H new ATOM 398 N ASP A 27 0.718 -13.869 -10.938 1.00 0.72 N ATOM 399 CA ASP A 27 0.518 -14.679 -12.126 1.00 0.82 C ATOM 400 C ASP A 27 0.280 -13.764 -13.330 1.00 0.86 C ATOM 401 O ASP A 27 -0.571 -14.048 -14.171 1.00 1.62 O ATOM 402 CB ASP A 27 -0.704 -15.588 -11.974 1.00 1.02 C ATOM 403 CG ASP A 27 -0.819 -16.698 -13.019 1.00 1.54 C ATOM 404 OD1 ASP A 27 0.191 -16.924 -13.721 1.00 2.31 O ATOM 405 OD2 ASP A 27 -1.914 -17.297 -13.094 1.00 2.27 O ATOM 0 H ASP A 27 -0.136 -13.641 -10.429 1.00 0.72 H new ATOM 0 HA ASP A 27 1.408 -15.292 -12.269 1.00 0.82 H new ATOM 0 HB2 ASP A 27 -0.678 -16.043 -10.984 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -1.603 -14.973 -12.019 1.00 1.02 H new ATOM 410 N LYS A 28 1.048 -12.685 -13.372 1.00 1.52 N ATOM 411 CA LYS A 28 0.913 -11.714 -14.444 1.00 1.65 C ATOM 412 C LYS A 28 1.884 -10.556 -14.202 1.00 1.44 C ATOM 413 O LYS A 28 2.452 -10.009 -15.146 1.00 1.63 O ATOM 414 CB LYS A 28 -0.545 -11.273 -14.588 1.00 1.78 C ATOM 415 CG LYS A 28 -1.173 -11.001 -13.220 1.00 2.14 C ATOM 416 CD LYS A 28 -2.502 -11.744 -13.069 1.00 2.28 C ATOM 417 CE LYS A 28 -3.682 -10.831 -13.407 1.00 2.56 C ATOM 418 NZ LYS A 28 -3.646 -10.444 -14.836 1.00 3.71 N ATOM 0 H LYS A 28 1.765 -12.462 -12.682 1.00 1.52 H new ATOM 0 HA LYS A 28 1.182 -12.163 -15.400 1.00 1.65 H new ATOM 0 HB2 LYS A 28 -0.598 -10.374 -15.202 1.00 1.78 H new ATOM 0 HB3 LYS A 28 -1.113 -12.046 -15.106 1.00 1.78 H new ATOM 0 HG2 LYS A 28 -0.487 -11.312 -12.432 1.00 2.14 H new ATOM 0 HG3 LYS A 28 -1.335 -9.930 -13.097 1.00 2.14 H new ATOM 0 HD2 LYS A 28 -2.512 -12.615 -13.724 1.00 2.28 H new ATOM 0 HD3 LYS A 28 -2.603 -12.112 -12.048 1.00 2.28 H new ATOM 0 HE2 LYS A 28 -4.619 -11.342 -13.186 1.00 2.56 H new ATOM 0 HE3 LYS A 28 -3.650 -9.939 -12.782 1.00 2.56 H new ATOM 0 HZ1 LYS A 28 -4.506 -9.909 -15.073 1.00 3.71 H new ATOM 0 HZ2 LYS A 28 -2.810 -9.852 -15.014 1.00 3.71 H new ATOM 0 HZ3 LYS A 28 -3.597 -11.299 -15.426 1.00 3.71 H new ATOM 432 N VAL A 29 2.045 -10.216 -12.931 1.00 1.12 N ATOM 433 CA VAL A 29 2.976 -9.168 -12.549 1.00 1.03 C ATOM 434 C VAL A 29 3.934 -9.708 -11.485 1.00 0.99 C ATOM 435 O VAL A 29 3.841 -9.339 -10.316 1.00 0.93 O ATOM 436 CB VAL A 29 2.207 -7.928 -12.087 1.00 0.91 C ATOM 437 CG1 VAL A 29 1.233 -7.454 -13.166 1.00 0.89 C ATOM 438 CG2 VAL A 29 1.478 -8.195 -10.768 1.00 1.35 C ATOM 0 H VAL A 29 1.546 -10.648 -12.153 1.00 1.12 H new ATOM 0 HA VAL A 29 3.578 -8.861 -13.404 1.00 1.03 H new ATOM 0 HB VAL A 29 2.929 -7.130 -11.915 1.00 0.91 H new ATOM 0 HG11 VAL A 29 0.699 -6.572 -12.812 1.00 0.89 H new ATOM 0 HG12 VAL A 29 1.786 -7.205 -14.071 1.00 0.89 H new ATOM 0 HG13 VAL A 29 0.518 -8.247 -13.385 1.00 0.89 H new ATOM 0 HG21 VAL A 29 0.940 -7.298 -10.462 1.00 1.35 H new ATOM 0 HG22 VAL A 29 0.772 -9.014 -10.902 1.00 1.35 H new ATOM 0 HG23 VAL A 29 2.203 -8.463 -9.999 1.00 1.35 H new ATOM 448 N PRO A 30 4.858 -10.596 -11.941 1.00 1.10 N ATOM 449 CA PRO A 30 5.800 -11.229 -11.034 1.00 1.14 C ATOM 450 C PRO A 30 6.897 -10.251 -10.612 1.00 1.32 C ATOM 451 O PRO A 30 7.648 -10.522 -9.676 1.00 2.50 O ATOM 452 CB PRO A 30 6.334 -12.430 -11.798 1.00 1.28 C ATOM 453 CG PRO A 30 6.027 -12.163 -13.262 1.00 1.37 C ATOM 454 CD PRO A 30 5.030 -11.018 -13.328 1.00 1.27 C ATOM 0 HA PRO A 30 5.338 -11.543 -10.098 1.00 1.14 H new ATOM 0 HB2 PRO A 30 7.406 -12.549 -11.639 1.00 1.28 H new ATOM 0 HB3 PRO A 30 5.858 -13.351 -11.461 1.00 1.28 H new ATOM 0 HG2 PRO A 30 6.938 -11.907 -13.803 1.00 1.37 H new ATOM 0 HG3 PRO A 30 5.616 -13.055 -13.735 1.00 1.37 H new ATOM 0 HD2 PRO A 30 5.404 -10.202 -13.947 1.00 1.27 H new ATOM 0 HD3 PRO A 30 4.085 -11.341 -13.764 1.00 1.27 H new ATOM 462 N LYS A 31 6.957 -9.135 -11.324 1.00 0.91 N ATOM 463 CA LYS A 31 7.971 -8.131 -11.057 1.00 0.94 C ATOM 464 C LYS A 31 7.558 -7.304 -9.839 1.00 0.86 C ATOM 465 O LYS A 31 8.282 -7.247 -8.847 1.00 0.95 O ATOM 466 CB LYS A 31 8.237 -7.291 -12.309 1.00 1.08 C ATOM 467 CG LYS A 31 8.668 -8.176 -13.481 1.00 1.97 C ATOM 468 CD LYS A 31 8.658 -7.389 -14.793 1.00 2.52 C ATOM 469 CE LYS A 31 8.640 -8.333 -15.998 1.00 3.81 C ATOM 470 NZ LYS A 31 8.215 -7.609 -17.217 1.00 4.94 N ATOM 0 H LYS A 31 6.319 -8.905 -12.086 1.00 0.91 H new ATOM 0 HA LYS A 31 8.921 -8.606 -10.812 1.00 0.94 H new ATOM 0 HB2 LYS A 31 7.337 -6.738 -12.578 1.00 1.08 H new ATOM 0 HB3 LYS A 31 9.013 -6.555 -12.100 1.00 1.08 H new ATOM 0 HG2 LYS A 31 9.668 -8.570 -13.296 1.00 1.97 H new ATOM 0 HG3 LYS A 31 7.998 -9.032 -13.561 1.00 1.97 H new ATOM 0 HD2 LYS A 31 7.785 -6.737 -14.824 1.00 2.52 H new ATOM 0 HD3 LYS A 31 9.537 -6.747 -14.843 1.00 2.52 H new ATOM 0 HE2 LYS A 31 9.632 -8.759 -16.148 1.00 3.81 H new ATOM 0 HE3 LYS A 31 7.961 -9.164 -15.806 1.00 3.81 H new ATOM 0 HZ1 LYS A 31 8.305 -8.236 -18.042 1.00 4.94 H new ATOM 0 HZ2 LYS A 31 7.224 -7.311 -17.116 1.00 4.94 H new ATOM 0 HZ3 LYS A 31 8.817 -6.771 -17.351 1.00 4.94 H new ATOM 484 N THR A 32 6.393 -6.682 -9.953 1.00 0.83 N ATOM 485 CA THR A 32 5.933 -5.761 -8.928 1.00 0.87 C ATOM 486 C THR A 32 5.505 -6.527 -7.675 1.00 0.71 C ATOM 487 O THR A 32 5.639 -6.026 -6.560 1.00 0.74 O ATOM 488 CB THR A 32 4.815 -4.907 -9.529 1.00 1.04 C ATOM 489 OG1 THR A 32 5.418 -4.293 -10.664 1.00 1.50 O ATOM 490 CG2 THR A 32 4.429 -3.730 -8.629 1.00 1.11 C ATOM 0 H THR A 32 5.754 -6.798 -10.740 1.00 0.83 H new ATOM 0 HA THR A 32 6.734 -5.096 -8.606 1.00 0.87 H new ATOM 0 HB THR A 32 3.939 -5.530 -9.708 1.00 1.04 H new ATOM 0 HG1 THR A 32 4.761 -3.722 -11.114 1.00 1.50 H new ATOM 0 HG21 THR A 32 3.632 -3.156 -9.102 1.00 1.11 H new ATOM 0 HG22 THR A 32 4.083 -4.106 -7.666 1.00 1.11 H new ATOM 0 HG23 THR A 32 5.297 -3.088 -8.477 1.00 1.11 H new ATOM 498 N ALA A 33 4.998 -7.731 -7.900 1.00 0.66 N ATOM 499 CA ALA A 33 4.589 -8.589 -6.801 1.00 0.61 C ATOM 500 C ALA A 33 5.806 -8.916 -5.934 1.00 0.60 C ATOM 501 O ALA A 33 5.695 -9.009 -4.712 1.00 0.63 O ATOM 502 CB ALA A 33 3.914 -9.845 -7.357 1.00 0.70 C ATOM 0 H ALA A 33 4.861 -8.132 -8.828 1.00 0.66 H new ATOM 0 HA ALA A 33 3.861 -8.081 -6.168 1.00 0.61 H new ATOM 0 HB1 ALA A 33 3.607 -10.489 -6.532 1.00 0.70 H new ATOM 0 HB2 ALA A 33 3.038 -9.560 -7.940 1.00 0.70 H new ATOM 0 HB3 ALA A 33 4.615 -10.383 -7.995 1.00 0.70 H new ATOM 508 N GLU A 34 6.939 -9.081 -6.600 1.00 0.68 N ATOM 509 CA GLU A 34 8.184 -9.356 -5.901 1.00 0.79 C ATOM 510 C GLU A 34 8.629 -8.127 -5.106 1.00 0.79 C ATOM 511 O GLU A 34 9.238 -8.258 -4.046 1.00 0.93 O ATOM 512 CB GLU A 34 9.274 -9.801 -6.879 1.00 0.95 C ATOM 513 CG GLU A 34 10.496 -10.337 -6.130 1.00 1.15 C ATOM 514 CD GLU A 34 10.112 -11.500 -5.215 1.00 2.32 C ATOM 515 OE1 GLU A 34 9.919 -12.610 -5.758 1.00 2.73 O ATOM 516 OE2 GLU A 34 10.019 -11.254 -3.993 1.00 3.76 O ATOM 0 H GLU A 34 7.022 -9.030 -7.615 1.00 0.68 H new ATOM 0 HA GLU A 34 8.013 -10.174 -5.201 1.00 0.79 H new ATOM 0 HB2 GLU A 34 8.881 -10.573 -7.541 1.00 0.95 H new ATOM 0 HB3 GLU A 34 9.568 -8.961 -7.508 1.00 0.95 H new ATOM 0 HG2 GLU A 34 11.250 -10.666 -6.845 1.00 1.15 H new ATOM 0 HG3 GLU A 34 10.944 -9.538 -5.540 1.00 1.15 H new ATOM 523 N ASN A 35 8.309 -6.962 -5.649 1.00 0.79 N ATOM 524 CA ASN A 35 8.538 -5.716 -4.937 1.00 0.97 C ATOM 525 C ASN A 35 7.448 -5.529 -3.881 1.00 1.23 C ATOM 526 O ASN A 35 6.805 -4.482 -3.825 1.00 2.81 O ATOM 527 CB ASN A 35 8.484 -4.519 -5.889 1.00 1.07 C ATOM 528 CG ASN A 35 9.757 -4.433 -6.734 1.00 1.97 C ATOM 529 OD1 ASN A 35 10.716 -3.761 -6.389 1.00 2.65 O ATOM 530 ND2 ASN A 35 9.713 -5.146 -7.855 1.00 3.18 N ATOM 0 H ASN A 35 7.893 -6.854 -6.574 1.00 0.79 H new ATOM 0 HA ASN A 35 9.525 -5.767 -4.478 1.00 0.97 H new ATOM 0 HB2 ASN A 35 7.615 -4.608 -6.541 1.00 1.07 H new ATOM 0 HB3 ASN A 35 8.360 -3.600 -5.317 1.00 1.07 H new ATOM 0 HD21 ASN A 35 10.514 -5.153 -8.487 1.00 3.18 H new ATOM 0 HD22 ASN A 35 8.879 -5.686 -8.083 1.00 3.18 H new ATOM 537 N PHE A 36 7.274 -6.561 -3.068 1.00 0.99 N ATOM 538 CA PHE A 36 6.218 -6.556 -2.069 1.00 0.93 C ATOM 539 C PHE A 36 6.323 -7.779 -1.154 1.00 0.87 C ATOM 540 O PHE A 36 6.342 -7.643 0.068 1.00 0.94 O ATOM 541 CB PHE A 36 4.888 -6.611 -2.823 1.00 1.01 C ATOM 542 CG PHE A 36 3.746 -5.866 -2.128 1.00 1.37 C ATOM 543 CD1 PHE A 36 3.237 -6.340 -0.959 1.00 2.45 C ATOM 544 CD2 PHE A 36 3.241 -4.731 -2.679 1.00 2.27 C ATOM 545 CE1 PHE A 36 2.179 -5.649 -0.314 1.00 3.00 C ATOM 546 CE2 PHE A 36 2.182 -4.039 -2.034 1.00 2.95 C ATOM 547 CZ PHE A 36 1.673 -4.513 -0.865 1.00 2.87 C ATOM 0 H PHE A 36 7.846 -7.406 -3.080 1.00 0.99 H new ATOM 0 HA PHE A 36 6.297 -5.663 -1.449 1.00 0.93 H new ATOM 0 HB2 PHE A 36 5.029 -6.191 -3.819 1.00 1.01 H new ATOM 0 HB3 PHE A 36 4.600 -7.654 -2.955 1.00 1.01 H new ATOM 0 HD1 PHE A 36 3.638 -7.242 -0.522 1.00 2.45 H new ATOM 0 HD2 PHE A 36 3.645 -4.355 -3.607 1.00 2.27 H new ATOM 0 HE1 PHE A 36 1.775 -6.025 0.615 1.00 3.00 H new ATOM 0 HE2 PHE A 36 1.781 -3.137 -2.471 1.00 2.95 H new ATOM 0 HZ PHE A 36 0.867 -3.987 -0.374 1.00 2.87 H new ATOM 557 N ARG A 37 6.388 -8.943 -1.782 1.00 0.84 N ATOM 558 CA ARG A 37 6.578 -10.181 -1.044 1.00 0.91 C ATOM 559 C ARG A 37 7.914 -10.154 -0.298 1.00 0.92 C ATOM 560 O ARG A 37 8.004 -10.618 0.837 1.00 0.98 O ATOM 561 CB ARG A 37 6.550 -11.390 -1.982 1.00 1.00 C ATOM 562 CG ARG A 37 6.396 -12.692 -1.192 1.00 1.50 C ATOM 563 CD ARG A 37 7.757 -13.347 -0.945 1.00 2.04 C ATOM 564 NE ARG A 37 8.405 -13.670 -2.235 1.00 2.73 N ATOM 565 CZ ARG A 37 9.680 -14.066 -2.357 1.00 4.28 C ATOM 566 NH1 ARG A 37 10.392 -14.373 -1.265 1.00 5.34 N ATOM 567 NH2 ARG A 37 10.240 -14.153 -3.570 1.00 5.41 N ATOM 0 H ARG A 37 6.313 -9.056 -2.793 1.00 0.84 H new ATOM 0 HA ARG A 37 5.760 -10.271 -0.329 1.00 0.91 H new ATOM 0 HB2 ARG A 37 5.725 -11.289 -2.688 1.00 1.00 H new ATOM 0 HB3 ARG A 37 7.469 -11.422 -2.568 1.00 1.00 H new ATOM 0 HG2 ARG A 37 5.908 -12.488 -0.239 1.00 1.50 H new ATOM 0 HG3 ARG A 37 5.751 -13.380 -1.739 1.00 1.50 H new ATOM 0 HD2 ARG A 37 8.393 -12.676 -0.367 1.00 2.04 H new ATOM 0 HD3 ARG A 37 7.631 -14.255 -0.355 1.00 2.04 H new ATOM 0 HE ARG A 37 7.847 -13.586 -3.085 1.00 2.73 H new ATOM 0 HH11 ARG A 37 9.964 -14.305 -0.342 1.00 5.34 H new ATOM 0 HH12 ARG A 37 11.362 -14.674 -1.357 1.00 5.34 H new ATOM 0 HH21 ARG A 37 9.697 -13.918 -4.401 1.00 5.41 H new ATOM 0 HH22 ARG A 37 11.210 -14.454 -3.663 1.00 5.41 H new ATOM 581 N ALA A 38 8.918 -9.605 -0.967 1.00 0.91 N ATOM 582 CA ALA A 38 10.253 -9.547 -0.396 1.00 0.97 C ATOM 583 C ALA A 38 10.233 -8.657 0.848 1.00 1.01 C ATOM 584 O ALA A 38 10.930 -8.932 1.824 1.00 1.10 O ATOM 585 CB ALA A 38 11.239 -9.048 -1.454 1.00 0.96 C ATOM 0 H ALA A 38 8.834 -9.197 -1.898 1.00 0.91 H new ATOM 0 HA ALA A 38 10.581 -10.539 -0.086 1.00 0.97 H new ATOM 0 HB1 ALA A 38 12.241 -9.004 -1.026 1.00 0.96 H new ATOM 0 HB2 ALA A 38 11.237 -9.730 -2.304 1.00 0.96 H new ATOM 0 HB3 ALA A 38 10.943 -8.053 -1.787 1.00 0.96 H new ATOM 591 N LEU A 39 9.428 -7.608 0.772 1.00 1.01 N ATOM 592 CA LEU A 39 9.309 -6.674 1.880 1.00 1.14 C ATOM 593 C LEU A 39 8.464 -7.309 2.988 1.00 1.25 C ATOM 594 O LEU A 39 8.693 -7.058 4.169 1.00 1.57 O ATOM 595 CB LEU A 39 8.771 -5.328 1.392 1.00 1.12 C ATOM 596 CG LEU A 39 9.686 -4.541 0.453 1.00 1.14 C ATOM 597 CD1 LEU A 39 8.980 -3.294 -0.085 1.00 1.18 C ATOM 598 CD2 LEU A 39 11.012 -4.199 1.137 1.00 1.34 C ATOM 0 H LEU A 39 8.852 -7.383 -0.039 1.00 1.01 H new ATOM 0 HA LEU A 39 10.290 -6.463 2.307 1.00 1.14 H new ATOM 0 HB2 LEU A 39 7.823 -5.501 0.883 1.00 1.12 H new ATOM 0 HB3 LEU A 39 8.557 -4.708 2.262 1.00 1.12 H new ATOM 0 HG LEU A 39 9.919 -5.173 -0.404 1.00 1.14 H new ATOM 0 HD11 LEU A 39 9.653 -2.753 -0.750 1.00 1.18 H new ATOM 0 HD12 LEU A 39 8.087 -3.590 -0.635 1.00 1.18 H new ATOM 0 HD13 LEU A 39 8.696 -2.649 0.747 1.00 1.18 H new ATOM 0 HD21 LEU A 39 11.644 -3.639 0.447 1.00 1.34 H new ATOM 0 HD22 LEU A 39 10.819 -3.595 2.023 1.00 1.34 H new ATOM 0 HD23 LEU A 39 11.519 -5.119 1.428 1.00 1.34 H new ATOM 610 N SER A 40 7.505 -8.120 2.565 1.00 1.10 N ATOM 611 CA SER A 40 6.616 -8.781 3.505 1.00 1.28 C ATOM 612 C SER A 40 7.348 -9.932 4.196 1.00 1.62 C ATOM 613 O SER A 40 6.984 -10.329 5.303 1.00 2.16 O ATOM 614 CB SER A 40 5.358 -9.297 2.803 1.00 1.28 C ATOM 615 OG SER A 40 4.733 -8.287 2.016 1.00 2.30 O ATOM 0 H SER A 40 7.324 -8.334 1.584 1.00 1.10 H new ATOM 0 HA SER A 40 6.308 -8.053 4.255 1.00 1.28 H new ATOM 0 HB2 SER A 40 5.619 -10.143 2.167 1.00 1.28 H new ATOM 0 HB3 SER A 40 4.652 -9.665 3.548 1.00 1.28 H new ATOM 0 HG SER A 40 4.168 -7.728 2.590 1.00 2.30 H new ATOM 621 N THR A 41 8.368 -10.437 3.517 1.00 1.43 N ATOM 622 CA THR A 41 9.126 -11.564 4.032 1.00 1.83 C ATOM 623 C THR A 41 10.418 -11.081 4.695 1.00 2.07 C ATOM 624 O THR A 41 10.576 -11.193 5.909 1.00 2.95 O ATOM 625 CB THR A 41 9.363 -12.540 2.878 1.00 1.81 C ATOM 626 OG1 THR A 41 8.051 -12.893 2.447 1.00 3.60 O ATOM 627 CG2 THR A 41 9.969 -13.864 3.347 1.00 2.48 C ATOM 0 H THR A 41 8.687 -10.086 2.614 1.00 1.43 H new ATOM 0 HA THR A 41 8.575 -12.088 4.813 1.00 1.83 H new ATOM 0 HB THR A 41 10.022 -12.079 2.142 1.00 1.81 H new ATOM 0 HG1 THR A 41 7.717 -12.214 1.825 1.00 3.60 H new ATOM 0 HG21 THR A 41 10.117 -14.520 2.489 1.00 2.48 H new ATOM 0 HG22 THR A 41 10.928 -13.675 3.829 1.00 2.48 H new ATOM 0 HG23 THR A 41 9.294 -14.342 4.057 1.00 2.48 H new ATOM 635 N GLY A 42 11.307 -10.552 3.866 1.00 2.08 N ATOM 636 CA GLY A 42 12.598 -10.095 4.349 1.00 2.54 C ATOM 637 C GLY A 42 13.731 -10.958 3.790 1.00 2.85 C ATOM 638 O GLY A 42 14.903 -10.602 3.905 1.00 3.30 O ATOM 0 H GLY A 42 11.158 -10.430 2.864 1.00 2.08 H new ATOM 0 HA2 GLY A 42 12.751 -9.055 4.059 1.00 2.54 H new ATOM 0 HA3 GLY A 42 12.615 -10.128 5.438 1.00 2.54 H new ATOM 642 N GLU A 43 13.341 -12.076 3.197 1.00 3.30 N ATOM 643 CA GLU A 43 14.306 -12.972 2.579 1.00 4.13 C ATOM 644 C GLU A 43 14.865 -12.348 1.299 1.00 4.33 C ATOM 645 O GLU A 43 14.526 -12.774 0.196 1.00 5.60 O ATOM 646 CB GLU A 43 13.680 -14.338 2.295 1.00 4.95 C ATOM 647 CG GLU A 43 14.755 -15.372 1.949 1.00 5.66 C ATOM 648 CD GLU A 43 15.610 -15.704 3.175 1.00 6.04 C ATOM 649 OE1 GLU A 43 15.103 -16.460 4.031 1.00 6.76 O ATOM 650 OE2 GLU A 43 16.750 -15.194 3.226 1.00 6.28 O ATOM 0 H GLU A 43 12.371 -12.383 3.131 1.00 3.30 H new ATOM 0 HA GLU A 43 15.130 -13.124 3.276 1.00 4.13 H new ATOM 0 HB2 GLU A 43 13.116 -14.672 3.166 1.00 4.95 H new ATOM 0 HB3 GLU A 43 12.972 -14.254 1.470 1.00 4.95 H new ATOM 0 HG2 GLU A 43 14.284 -16.280 1.573 1.00 5.66 H new ATOM 0 HG3 GLU A 43 15.390 -14.988 1.151 1.00 5.66 H new ATOM 657 N LYS A 44 15.713 -11.347 1.488 1.00 3.48 N ATOM 658 CA LYS A 44 16.200 -10.557 0.371 1.00 3.56 C ATOM 659 C LYS A 44 17.227 -9.543 0.877 1.00 3.52 C ATOM 660 O LYS A 44 18.241 -9.301 0.224 1.00 4.05 O ATOM 661 CB LYS A 44 15.032 -9.924 -0.387 1.00 3.59 C ATOM 662 CG LYS A 44 15.449 -9.527 -1.805 1.00 3.53 C ATOM 663 CD LYS A 44 15.270 -8.024 -2.029 1.00 3.08 C ATOM 664 CE LYS A 44 16.339 -7.227 -1.280 1.00 2.44 C ATOM 665 NZ LYS A 44 16.323 -5.810 -1.707 1.00 3.71 N ATOM 0 H LYS A 44 16.075 -11.065 2.399 1.00 3.48 H new ATOM 0 HA LYS A 44 16.711 -11.194 -0.351 1.00 3.56 H new ATOM 0 HB2 LYS A 44 14.200 -10.626 -0.432 1.00 3.59 H new ATOM 0 HB3 LYS A 44 14.678 -9.045 0.151 1.00 3.59 H new ATOM 0 HG2 LYS A 44 16.491 -9.802 -1.972 1.00 3.53 H new ATOM 0 HG3 LYS A 44 14.853 -10.080 -2.531 1.00 3.53 H new ATOM 0 HD2 LYS A 44 15.326 -7.802 -3.095 1.00 3.08 H new ATOM 0 HD3 LYS A 44 14.280 -7.718 -1.691 1.00 3.08 H new ATOM 0 HE2 LYS A 44 16.163 -7.291 -0.206 1.00 2.44 H new ATOM 0 HE3 LYS A 44 17.322 -7.659 -1.469 1.00 2.44 H new ATOM 0 HZ1 LYS A 44 17.156 -5.322 -1.321 1.00 3.71 H new ATOM 0 HZ2 LYS A 44 16.343 -5.760 -2.746 1.00 3.71 H new ATOM 0 HZ3 LYS A 44 15.459 -5.351 -1.355 1.00 3.71 H new ATOM 679 N GLY A 45 16.931 -8.978 2.038 1.00 3.25 N ATOM 680 CA GLY A 45 17.802 -7.976 2.627 1.00 3.77 C ATOM 681 C GLY A 45 17.146 -7.328 3.848 1.00 3.76 C ATOM 682 O GLY A 45 17.800 -7.110 4.866 1.00 4.83 O ATOM 0 H GLY A 45 16.099 -9.195 2.587 1.00 3.25 H new ATOM 0 HA2 GLY A 45 18.746 -8.436 2.918 1.00 3.77 H new ATOM 0 HA3 GLY A 45 18.035 -7.211 1.886 1.00 3.77 H new ATOM 686 N PHE A 46 15.861 -7.038 3.705 1.00 2.89 N ATOM 687 CA PHE A 46 15.140 -6.306 4.733 1.00 2.89 C ATOM 688 C PHE A 46 13.633 -6.336 4.472 1.00 2.51 C ATOM 689 O PHE A 46 13.189 -6.815 3.429 1.00 2.21 O ATOM 690 CB PHE A 46 15.627 -4.857 4.677 1.00 2.90 C ATOM 691 CG PHE A 46 15.807 -4.317 3.256 1.00 2.68 C ATOM 692 CD1 PHE A 46 14.727 -3.890 2.549 1.00 2.48 C ATOM 693 CD2 PHE A 46 17.047 -4.262 2.701 1.00 3.91 C ATOM 694 CE1 PHE A 46 14.893 -3.388 1.232 1.00 2.48 C ATOM 695 CE2 PHE A 46 17.215 -3.760 1.384 1.00 4.01 C ATOM 696 CZ PHE A 46 16.134 -3.333 0.676 1.00 2.82 C ATOM 0 H PHE A 46 15.301 -7.297 2.893 1.00 2.89 H new ATOM 0 HA PHE A 46 15.322 -6.758 5.708 1.00 2.89 H new ATOM 0 HB2 PHE A 46 14.916 -4.224 5.208 1.00 2.90 H new ATOM 0 HB3 PHE A 46 16.577 -4.783 5.206 1.00 2.90 H new ATOM 0 HD1 PHE A 46 13.742 -3.933 2.990 1.00 2.48 H new ATOM 0 HD2 PHE A 46 17.905 -4.601 3.263 1.00 3.91 H new ATOM 0 HE1 PHE A 46 14.034 -3.050 0.671 1.00 2.48 H new ATOM 0 HE2 PHE A 46 18.200 -3.717 0.944 1.00 4.01 H new ATOM 0 HZ PHE A 46 16.261 -2.951 -0.326 1.00 2.82 H new ATOM 706 N GLY A 47 12.887 -5.818 5.436 1.00 2.72 N ATOM 707 CA GLY A 47 11.436 -5.829 5.348 1.00 2.57 C ATOM 708 C GLY A 47 10.867 -4.417 5.506 1.00 2.05 C ATOM 709 O GLY A 47 11.563 -3.433 5.262 1.00 2.78 O ATOM 0 H GLY A 47 13.260 -5.388 6.282 1.00 2.72 H new ATOM 0 HA2 GLY A 47 11.129 -6.243 4.388 1.00 2.57 H new ATOM 0 HA3 GLY A 47 11.026 -6.479 6.121 1.00 2.57 H new ATOM 713 N TYR A 48 9.608 -4.363 5.914 1.00 1.79 N ATOM 714 CA TYR A 48 8.927 -3.090 6.076 1.00 1.76 C ATOM 715 C TYR A 48 8.923 -2.654 7.543 1.00 1.44 C ATOM 716 O TYR A 48 8.241 -1.698 7.907 1.00 2.23 O ATOM 717 CB TYR A 48 7.485 -3.322 5.621 1.00 1.85 C ATOM 718 CG TYR A 48 6.908 -2.182 4.778 1.00 2.82 C ATOM 719 CD1 TYR A 48 6.434 -1.041 5.394 1.00 3.99 C ATOM 720 CD2 TYR A 48 6.862 -2.296 3.404 1.00 3.68 C ATOM 721 CE1 TYR A 48 5.890 0.031 4.600 1.00 5.41 C ATOM 722 CE2 TYR A 48 6.319 -1.223 2.611 1.00 4.91 C ATOM 723 CZ TYR A 48 5.860 -0.112 3.248 1.00 5.56 C ATOM 724 OH TYR A 48 5.347 0.900 2.500 1.00 7.00 O ATOM 0 H TYR A 48 9.041 -5.181 6.137 1.00 1.79 H new ATOM 0 HA TYR A 48 9.426 -2.311 5.500 1.00 1.76 H new ATOM 0 HB2 TYR A 48 7.441 -4.246 5.044 1.00 1.85 H new ATOM 0 HB3 TYR A 48 6.856 -3.465 6.500 1.00 1.85 H new ATOM 0 HD1 TYR A 48 6.471 -0.952 6.470 1.00 3.99 H new ATOM 0 HD2 TYR A 48 7.233 -3.189 2.923 1.00 3.68 H new ATOM 0 HE1 TYR A 48 5.514 0.929 5.068 1.00 5.41 H new ATOM 0 HE2 TYR A 48 6.277 -1.299 1.534 1.00 4.91 H new ATOM 0 HH TYR A 48 4.616 1.331 2.990 1.00 7.00 H new ATOM 734 N LYS A 49 9.692 -3.375 8.344 1.00 1.49 N ATOM 735 CA LYS A 49 9.783 -3.077 9.763 1.00 1.36 C ATOM 736 C LYS A 49 10.647 -1.831 9.964 1.00 1.82 C ATOM 737 O LYS A 49 11.826 -1.937 10.299 1.00 2.10 O ATOM 738 CB LYS A 49 10.278 -4.301 10.538 1.00 1.41 C ATOM 739 CG LYS A 49 9.106 -5.080 11.139 1.00 1.85 C ATOM 740 CD LYS A 49 8.179 -5.609 10.043 1.00 2.89 C ATOM 741 CE LYS A 49 6.946 -4.715 9.890 1.00 3.65 C ATOM 742 NZ LYS A 49 5.872 -5.433 9.169 1.00 5.23 N ATOM 0 H LYS A 49 10.259 -4.166 8.037 1.00 1.49 H new ATOM 0 HA LYS A 49 8.797 -2.850 10.168 1.00 1.36 H new ATOM 0 HB2 LYS A 49 10.848 -4.950 9.874 1.00 1.41 H new ATOM 0 HB3 LYS A 49 10.954 -3.984 11.332 1.00 1.41 H new ATOM 0 HG2 LYS A 49 9.484 -5.912 11.733 1.00 1.85 H new ATOM 0 HG3 LYS A 49 8.545 -4.435 11.815 1.00 1.85 H new ATOM 0 HD2 LYS A 49 8.718 -5.656 9.097 1.00 2.89 H new ATOM 0 HD3 LYS A 49 7.868 -6.626 10.284 1.00 2.89 H new ATOM 0 HE2 LYS A 49 6.589 -4.406 10.873 1.00 3.65 H new ATOM 0 HE3 LYS A 49 7.212 -3.808 9.348 1.00 3.65 H new ATOM 0 HZ1 LYS A 49 5.575 -4.875 8.344 1.00 5.23 H new ATOM 0 HZ2 LYS A 49 6.225 -6.358 8.852 1.00 5.23 H new ATOM 0 HZ3 LYS A 49 5.060 -5.571 9.804 1.00 5.23 H new ATOM 756 N GLY A 50 10.028 -0.680 9.751 1.00 2.18 N ATOM 757 CA GLY A 50 10.702 0.587 9.983 1.00 2.74 C ATOM 758 C GLY A 50 10.108 1.693 9.108 1.00 2.92 C ATOM 759 O GLY A 50 10.839 2.412 8.430 1.00 4.18 O ATOM 0 H GLY A 50 9.067 -0.597 9.420 1.00 2.18 H new ATOM 0 HA2 GLY A 50 10.614 0.863 11.034 1.00 2.74 H new ATOM 0 HA3 GLY A 50 11.766 0.481 9.770 1.00 2.74 H new ATOM 763 N SER A 51 8.788 1.793 9.152 1.00 2.16 N ATOM 764 CA SER A 51 8.083 2.771 8.341 1.00 2.84 C ATOM 765 C SER A 51 6.670 2.984 8.885 1.00 2.10 C ATOM 766 O SER A 51 6.186 2.191 9.692 1.00 2.30 O ATOM 767 CB SER A 51 8.027 2.332 6.875 1.00 4.17 C ATOM 768 OG SER A 51 9.326 2.107 6.336 1.00 5.40 O ATOM 0 H SER A 51 8.187 1.212 9.737 1.00 2.16 H new ATOM 0 HA SER A 51 8.629 3.713 8.391 1.00 2.84 H new ATOM 0 HB2 SER A 51 7.437 1.419 6.792 1.00 4.17 H new ATOM 0 HB3 SER A 51 7.518 3.095 6.287 1.00 4.17 H new ATOM 0 HG SER A 51 9.995 2.552 6.897 1.00 5.40 H new ATOM 774 N CYS A 52 6.048 4.059 8.423 1.00 2.25 N ATOM 775 CA CYS A 52 4.687 4.368 8.830 1.00 1.96 C ATOM 776 C CYS A 52 3.981 5.056 7.660 1.00 1.96 C ATOM 777 O CYS A 52 4.625 5.695 6.831 1.00 2.99 O ATOM 778 CB CYS A 52 4.657 5.224 10.098 1.00 2.43 C ATOM 779 SG CYS A 52 5.642 6.746 9.848 1.00 3.87 S ATOM 0 H CYS A 52 6.461 4.726 7.771 1.00 2.25 H new ATOM 0 HA CYS A 52 4.161 3.447 9.080 1.00 1.96 H new ATOM 0 HB2 CYS A 52 3.628 5.484 10.347 1.00 2.43 H new ATOM 0 HB3 CYS A 52 5.056 4.657 10.939 1.00 2.43 H new ATOM 0 HG CYS A 52 5.608 7.467 10.929 1.00 3.87 H new ATOM 785 N PHE A 53 2.665 4.902 7.631 1.00 1.72 N ATOM 786 CA PHE A 53 1.869 5.466 6.554 1.00 1.90 C ATOM 787 C PHE A 53 1.813 6.991 6.655 1.00 1.21 C ATOM 788 O PHE A 53 2.258 7.569 7.646 1.00 1.58 O ATOM 789 CB PHE A 53 0.454 4.904 6.704 1.00 2.96 C ATOM 790 CG PHE A 53 0.407 3.401 6.984 1.00 4.21 C ATOM 791 CD1 PHE A 53 1.233 2.558 6.309 1.00 5.49 C ATOM 792 CD2 PHE A 53 -0.461 2.908 7.907 1.00 4.84 C ATOM 793 CE1 PHE A 53 1.189 1.162 6.569 1.00 6.96 C ATOM 794 CE2 PHE A 53 -0.505 1.513 8.167 1.00 6.48 C ATOM 795 CZ PHE A 53 0.321 0.669 7.492 1.00 7.34 C ATOM 0 H PHE A 53 2.130 4.395 8.336 1.00 1.72 H new ATOM 0 HA PHE A 53 2.309 5.209 5.591 1.00 1.90 H new ATOM 0 HB2 PHE A 53 -0.051 5.430 7.515 1.00 2.96 H new ATOM 0 HB3 PHE A 53 -0.106 5.111 5.792 1.00 2.96 H new ATOM 0 HD1 PHE A 53 1.922 2.949 5.575 1.00 5.49 H new ATOM 0 HD2 PHE A 53 -1.117 3.578 8.443 1.00 4.84 H new ATOM 0 HE1 PHE A 53 1.845 0.492 6.033 1.00 6.96 H new ATOM 0 HE2 PHE A 53 -1.194 1.122 8.901 1.00 6.48 H new ATOM 0 HZ PHE A 53 0.287 -0.392 7.689 1.00 7.34 H new ATOM 805 N HIS A 54 1.262 7.602 5.616 1.00 1.28 N ATOM 806 CA HIS A 54 1.180 9.051 5.556 1.00 1.46 C ATOM 807 C HIS A 54 0.060 9.462 4.598 1.00 1.47 C ATOM 808 O HIS A 54 0.199 10.433 3.856 1.00 2.54 O ATOM 809 CB HIS A 54 2.534 9.658 5.181 1.00 2.62 C ATOM 810 CG HIS A 54 3.141 9.074 3.927 1.00 2.21 C ATOM 811 ND1 HIS A 54 2.485 9.068 2.709 1.00 2.54 N ATOM 812 CD2 HIS A 54 4.350 8.479 3.716 1.00 2.66 C ATOM 813 CE1 HIS A 54 3.272 8.492 1.812 1.00 2.41 C ATOM 814 NE2 HIS A 54 4.428 8.128 2.439 1.00 2.70 N ATOM 0 H HIS A 54 0.868 7.119 4.809 1.00 1.28 H new ATOM 0 HA HIS A 54 0.932 9.446 6.541 1.00 1.46 H new ATOM 0 HB2 HIS A 54 2.415 10.733 5.048 1.00 2.62 H new ATOM 0 HB3 HIS A 54 3.228 9.514 6.010 1.00 2.62 H new ATOM 0 HD1 HIS A 54 1.553 9.443 2.532 1.00 2.54 H new ATOM 0 HD2 HIS A 54 5.114 8.320 4.462 1.00 2.66 H new ATOM 0 HE1 HIS A 54 3.040 8.338 0.769 1.00 2.41 H new ATOM 822 N ARG A 55 -1.025 8.702 4.645 1.00 1.05 N ATOM 823 CA ARG A 55 -2.170 8.979 3.795 1.00 1.68 C ATOM 824 C ARG A 55 -3.342 8.071 4.172 1.00 1.36 C ATOM 825 O ARG A 55 -3.444 6.947 3.681 1.00 1.48 O ATOM 826 CB ARG A 55 -1.824 8.769 2.320 1.00 2.55 C ATOM 827 CG ARG A 55 -2.744 9.596 1.419 1.00 2.70 C ATOM 828 CD ARG A 55 -1.945 10.627 0.618 1.00 2.39 C ATOM 829 NE ARG A 55 -2.855 11.414 -0.244 1.00 2.81 N ATOM 830 CZ ARG A 55 -3.599 12.440 0.190 1.00 3.45 C ATOM 831 NH1 ARG A 55 -3.549 12.807 1.478 1.00 3.57 N ATOM 832 NH2 ARG A 55 -4.394 13.100 -0.664 1.00 4.80 N ATOM 0 H ARG A 55 -1.135 7.895 5.259 1.00 1.05 H new ATOM 0 HA ARG A 55 -2.451 10.021 3.945 1.00 1.68 H new ATOM 0 HB2 ARG A 55 -0.786 9.050 2.142 1.00 2.55 H new ATOM 0 HB3 ARG A 55 -1.916 7.713 2.068 1.00 2.55 H new ATOM 0 HG2 ARG A 55 -3.280 8.936 0.737 1.00 2.70 H new ATOM 0 HG3 ARG A 55 -3.494 10.103 2.026 1.00 2.70 H new ATOM 0 HD2 ARG A 55 -1.409 11.291 1.296 1.00 2.39 H new ATOM 0 HD3 ARG A 55 -1.196 10.124 0.006 1.00 2.39 H new ATOM 0 HE ARG A 55 -2.920 11.159 -1.230 1.00 2.81 H new ATOM 0 HH11 ARG A 55 -2.944 12.305 2.128 1.00 3.57 H new ATOM 0 HH12 ARG A 55 -4.116 13.588 1.808 1.00 3.57 H new ATOM 0 HH21 ARG A 55 -4.432 12.821 -1.644 1.00 4.80 H new ATOM 0 HH22 ARG A 55 -4.960 13.881 -0.333 1.00 4.80 H new ATOM 846 N ILE A 56 -4.197 8.591 5.040 1.00 1.15 N ATOM 847 CA ILE A 56 -5.377 7.855 5.460 1.00 0.89 C ATOM 848 C ILE A 56 -6.597 8.776 5.393 1.00 0.85 C ATOM 849 O ILE A 56 -6.638 9.807 6.064 1.00 0.90 O ATOM 850 CB ILE A 56 -5.156 7.226 6.837 1.00 0.74 C ATOM 851 CG1 ILE A 56 -3.910 6.338 6.839 1.00 0.82 C ATOM 852 CG2 ILE A 56 -6.401 6.468 7.301 1.00 0.76 C ATOM 853 CD1 ILE A 56 -3.859 5.469 8.099 1.00 0.90 C ATOM 0 H ILE A 56 -4.096 9.513 5.464 1.00 1.15 H new ATOM 0 HA ILE A 56 -5.567 7.022 4.783 1.00 0.89 H new ATOM 0 HB ILE A 56 -4.982 8.028 7.555 1.00 0.74 H new ATOM 0 HG12 ILE A 56 -3.911 5.702 5.954 1.00 0.82 H new ATOM 0 HG13 ILE A 56 -3.016 6.959 6.785 1.00 0.82 H new ATOM 0 HG21 ILE A 56 -6.216 6.031 8.282 1.00 0.76 H new ATOM 0 HG22 ILE A 56 -7.244 7.156 7.363 1.00 0.76 H new ATOM 0 HG23 ILE A 56 -6.631 5.676 6.589 1.00 0.76 H new ATOM 0 HD11 ILE A 56 -2.964 4.847 8.076 1.00 0.90 H new ATOM 0 HD12 ILE A 56 -3.834 6.109 8.981 1.00 0.90 H new ATOM 0 HD13 ILE A 56 -4.743 4.832 8.138 1.00 0.90 H new ATOM 865 N ILE A 57 -7.561 8.371 4.579 1.00 0.91 N ATOM 866 CA ILE A 57 -8.786 9.139 4.429 1.00 0.91 C ATOM 867 C ILE A 57 -9.983 8.187 4.436 1.00 0.93 C ATOM 868 O ILE A 57 -9.983 7.176 3.735 1.00 0.90 O ATOM 869 CB ILE A 57 -8.713 10.025 3.184 1.00 0.89 C ATOM 870 CG1 ILE A 57 -7.493 10.946 3.238 1.00 0.98 C ATOM 871 CG2 ILE A 57 -10.014 10.807 2.991 1.00 0.84 C ATOM 872 CD1 ILE A 57 -7.455 11.877 2.025 1.00 1.02 C ATOM 0 H ILE A 57 -7.519 7.521 4.016 1.00 0.91 H new ATOM 0 HA ILE A 57 -8.914 9.820 5.270 1.00 0.91 H new ATOM 0 HB ILE A 57 -8.592 9.381 2.313 1.00 0.89 H new ATOM 0 HG12 ILE A 57 -7.519 11.537 4.154 1.00 0.98 H new ATOM 0 HG13 ILE A 57 -6.582 10.348 3.270 1.00 0.98 H new ATOM 0 HG21 ILE A 57 -9.936 11.429 2.099 1.00 0.84 H new ATOM 0 HG22 ILE A 57 -10.844 10.110 2.876 1.00 0.84 H new ATOM 0 HG23 ILE A 57 -10.190 11.440 3.861 1.00 0.84 H new ATOM 0 HD11 ILE A 57 -6.578 12.521 2.088 1.00 1.02 H new ATOM 0 HD12 ILE A 57 -7.404 11.283 1.112 1.00 1.02 H new ATOM 0 HD13 ILE A 57 -8.356 12.491 2.009 1.00 1.02 H new ATOM 884 N PRO A 58 -11.003 8.553 5.259 1.00 1.00 N ATOM 885 CA PRO A 58 -12.199 7.735 5.378 1.00 1.05 C ATOM 886 C PRO A 58 -13.093 7.890 4.145 1.00 0.98 C ATOM 887 O PRO A 58 -13.342 9.004 3.691 1.00 0.96 O ATOM 888 CB PRO A 58 -12.869 8.204 6.659 1.00 1.18 C ATOM 889 CG PRO A 58 -12.278 9.570 6.964 1.00 1.20 C ATOM 890 CD PRO A 58 -11.044 9.749 6.096 1.00 1.09 C ATOM 0 HA PRO A 58 -11.977 6.669 5.427 1.00 1.05 H new ATOM 0 HB2 PRO A 58 -13.950 8.266 6.534 1.00 1.18 H new ATOM 0 HB3 PRO A 58 -12.682 7.507 7.475 1.00 1.18 H new ATOM 0 HG2 PRO A 58 -13.006 10.355 6.759 1.00 1.20 H new ATOM 0 HG3 PRO A 58 -12.016 9.646 8.019 1.00 1.20 H new ATOM 0 HD2 PRO A 58 -11.113 10.653 5.491 1.00 1.09 H new ATOM 0 HD3 PRO A 58 -10.143 9.839 6.703 1.00 1.09 H new ATOM 898 N GLY A 59 -13.548 6.753 3.639 1.00 1.06 N ATOM 899 CA GLY A 59 -14.432 6.749 2.485 1.00 1.03 C ATOM 900 C GLY A 59 -13.668 7.106 1.209 1.00 0.95 C ATOM 901 O GLY A 59 -14.193 7.801 0.341 1.00 0.99 O ATOM 0 H GLY A 59 -13.321 5.829 4.006 1.00 1.06 H new ATOM 0 HA2 GLY A 59 -14.890 5.766 2.376 1.00 1.03 H new ATOM 0 HA3 GLY A 59 -15.242 7.462 2.640 1.00 1.03 H new ATOM 905 N PHE A 60 -12.439 6.616 1.136 1.00 0.90 N ATOM 906 CA PHE A 60 -11.631 6.797 -0.058 1.00 0.84 C ATOM 907 C PHE A 60 -10.549 5.718 -0.157 1.00 0.78 C ATOM 908 O PHE A 60 -10.605 4.858 -1.034 1.00 0.80 O ATOM 909 CB PHE A 60 -10.959 8.166 0.060 1.00 0.87 C ATOM 910 CG PHE A 60 -9.961 8.468 -1.060 1.00 0.81 C ATOM 911 CD1 PHE A 60 -10.086 7.854 -2.266 1.00 2.03 C ATOM 912 CD2 PHE A 60 -8.948 9.350 -0.847 1.00 1.57 C ATOM 913 CE1 PHE A 60 -9.158 8.134 -3.305 1.00 1.98 C ATOM 914 CE2 PHE A 60 -8.021 9.630 -1.885 1.00 1.62 C ATOM 915 CZ PHE A 60 -8.146 9.016 -3.093 1.00 0.80 C ATOM 0 H PHE A 60 -11.983 6.094 1.884 1.00 0.90 H new ATOM 0 HA PHE A 60 -12.259 6.727 -0.946 1.00 0.84 H new ATOM 0 HB2 PHE A 60 -11.729 8.938 0.065 1.00 0.87 H new ATOM 0 HB3 PHE A 60 -10.443 8.225 1.018 1.00 0.87 H new ATOM 0 HD1 PHE A 60 -10.890 7.153 -2.435 1.00 2.03 H new ATOM 0 HD2 PHE A 60 -8.849 9.837 0.112 1.00 1.57 H new ATOM 0 HE1 PHE A 60 -9.257 7.646 -4.263 1.00 1.98 H new ATOM 0 HE2 PHE A 60 -7.216 10.330 -1.716 1.00 1.62 H new ATOM 0 HZ PHE A 60 -7.441 9.230 -3.883 1.00 0.80 H new ATOM 925 N MET A 61 -9.593 5.801 0.755 1.00 0.74 N ATOM 926 CA MET A 61 -8.447 4.906 0.721 1.00 0.72 C ATOM 927 C MET A 61 -7.611 5.037 1.995 1.00 0.67 C ATOM 928 O MET A 61 -7.871 5.906 2.826 1.00 0.77 O ATOM 929 CB MET A 61 -7.579 5.234 -0.496 1.00 0.78 C ATOM 930 CG MET A 61 -7.099 6.686 -0.451 1.00 1.27 C ATOM 931 SD MET A 61 -5.542 6.787 0.416 1.00 1.32 S ATOM 932 CE MET A 61 -5.847 8.220 1.435 1.00 1.31 C ATOM 0 H MET A 61 -9.587 6.473 1.522 1.00 0.74 H new ATOM 0 HA MET A 61 -8.812 3.881 0.653 1.00 0.72 H new ATOM 0 HB2 MET A 61 -6.720 4.564 -0.526 1.00 0.78 H new ATOM 0 HB3 MET A 61 -8.148 5.063 -1.410 1.00 0.78 H new ATOM 0 HG2 MET A 61 -6.986 7.072 -1.464 1.00 1.27 H new ATOM 0 HG3 MET A 61 -7.843 7.308 0.046 1.00 1.27 H new ATOM 0 HE1 MET A 61 -5.066 8.302 2.191 1.00 1.31 H new ATOM 0 HE2 MET A 61 -5.845 9.115 0.814 1.00 1.31 H new ATOM 0 HE3 MET A 61 -6.816 8.119 1.923 1.00 1.31 H new ATOM 942 N CYS A 62 -6.624 4.161 2.110 1.00 0.66 N ATOM 943 CA CYS A 62 -5.814 4.100 3.314 1.00 0.81 C ATOM 944 C CYS A 62 -4.501 3.391 2.975 1.00 1.07 C ATOM 945 O CYS A 62 -4.509 2.287 2.433 1.00 1.36 O ATOM 946 CB CYS A 62 -6.555 3.409 4.461 1.00 1.12 C ATOM 947 SG CYS A 62 -7.885 2.343 3.793 1.00 3.06 S ATOM 0 H CYS A 62 -6.367 3.487 1.389 1.00 0.66 H new ATOM 0 HA CYS A 62 -5.601 5.111 3.663 1.00 0.81 H new ATOM 0 HB2 CYS A 62 -5.858 2.811 5.047 1.00 1.12 H new ATOM 0 HB3 CYS A 62 -6.979 4.155 5.133 1.00 1.12 H new ATOM 0 HG CYS A 62 -8.911 3.076 3.478 1.00 3.06 H new ATOM 953 N GLN A 63 -3.403 4.055 3.308 1.00 1.28 N ATOM 954 CA GLN A 63 -2.150 3.359 3.544 1.00 1.96 C ATOM 955 C GLN A 63 -1.080 3.847 2.564 1.00 1.77 C ATOM 956 O GLN A 63 -1.399 4.448 1.539 1.00 3.49 O ATOM 957 CB GLN A 63 -2.337 1.845 3.443 1.00 4.16 C ATOM 958 CG GLN A 63 -1.145 1.103 4.053 1.00 5.46 C ATOM 959 CD GLN A 63 -1.538 -0.315 4.474 1.00 7.33 C ATOM 960 OE1 GLN A 63 -1.789 -1.131 3.455 1.00 8.67 O flip ATOM 961 NE2 GLN A 63 -1.609 -0.644 5.647 1.00 7.82 N flip ATOM 0 H GLN A 63 -3.356 5.068 3.420 1.00 1.28 H new ATOM 0 HA GLN A 63 -1.817 3.583 4.557 1.00 1.96 H new ATOM 0 HB2 GLN A 63 -3.253 1.553 3.957 1.00 4.16 H new ATOM 0 HB3 GLN A 63 -2.452 1.558 2.398 1.00 4.16 H new ATOM 0 HG2 GLN A 63 -0.331 1.059 3.330 1.00 5.46 H new ATOM 0 HG3 GLN A 63 -0.774 1.653 4.918 1.00 5.46 H new ATOM 0 HE21 GLN A 63 -1.403 0.034 6.380 1.00 7.82 H new ATOM 0 HE22 GLN A 63 -1.875 -1.597 5.894 1.00 7.82 H new ATOM 970 N GLY A 64 0.168 3.569 2.914 1.00 1.27 N ATOM 971 CA GLY A 64 1.292 4.119 2.176 1.00 2.37 C ATOM 972 C GLY A 64 2.603 3.898 2.931 1.00 1.76 C ATOM 973 O GLY A 64 2.878 2.792 3.396 1.00 2.25 O ATOM 0 H GLY A 64 0.425 2.970 3.699 1.00 1.27 H new ATOM 0 HA2 GLY A 64 1.351 3.651 1.193 1.00 2.37 H new ATOM 0 HA3 GLY A 64 1.138 5.186 2.012 1.00 2.37 H new ATOM 977 N GLY A 65 3.380 4.968 3.032 1.00 2.35 N ATOM 978 CA GLY A 65 4.515 4.987 3.938 1.00 2.71 C ATOM 979 C GLY A 65 5.805 4.606 3.210 1.00 1.84 C ATOM 980 O GLY A 65 6.271 5.340 2.341 1.00 2.46 O ATOM 0 H GLY A 65 3.245 5.828 2.500 1.00 2.35 H new ATOM 0 HA2 GLY A 65 4.620 5.980 4.375 1.00 2.71 H new ATOM 0 HA3 GLY A 65 4.339 4.294 4.761 1.00 2.71 H new ATOM 984 N ASP A 66 6.345 3.458 3.593 1.00 1.94 N ATOM 985 CA ASP A 66 7.625 3.019 3.062 1.00 2.50 C ATOM 986 C ASP A 66 8.740 3.885 3.650 1.00 1.76 C ATOM 987 O ASP A 66 8.474 4.927 4.246 1.00 2.30 O ATOM 988 CB ASP A 66 7.667 3.164 1.539 1.00 4.13 C ATOM 989 CG ASP A 66 8.685 2.267 0.832 1.00 5.78 C ATOM 990 OD1 ASP A 66 8.342 1.086 0.610 1.00 6.87 O ATOM 991 OD2 ASP A 66 9.783 2.783 0.530 1.00 6.42 O ATOM 0 H ASP A 66 5.920 2.819 4.264 1.00 1.94 H new ATOM 0 HA ASP A 66 7.760 1.971 3.329 1.00 2.50 H new ATOM 0 HB2 ASP A 66 6.676 2.947 1.141 1.00 4.13 H new ATOM 0 HB3 ASP A 66 7.888 4.203 1.294 1.00 4.13 H new ATOM 996 N PHE A 67 9.967 3.420 3.462 1.00 1.86 N ATOM 997 CA PHE A 67 11.131 4.202 3.846 1.00 1.87 C ATOM 998 C PHE A 67 11.289 5.429 2.945 1.00 2.55 C ATOM 999 O PHE A 67 12.187 5.476 2.106 1.00 3.60 O ATOM 1000 CB PHE A 67 12.353 3.298 3.676 1.00 2.68 C ATOM 1001 CG PHE A 67 12.280 1.997 4.476 1.00 2.68 C ATOM 1002 CD1 PHE A 67 12.580 1.996 5.803 1.00 3.64 C ATOM 1003 CD2 PHE A 67 11.916 0.839 3.860 1.00 3.29 C ATOM 1004 CE1 PHE A 67 12.513 0.787 6.545 1.00 4.73 C ATOM 1005 CE2 PHE A 67 11.849 -0.369 4.603 1.00 4.24 C ATOM 1006 CZ PHE A 67 12.149 -0.370 5.929 1.00 4.81 C ATOM 0 H PHE A 67 10.180 2.512 3.049 1.00 1.86 H new ATOM 0 HA PHE A 67 11.023 4.551 4.873 1.00 1.87 H new ATOM 0 HB2 PHE A 67 12.470 3.057 2.619 1.00 2.68 H new ATOM 0 HB3 PHE A 67 13.244 3.848 3.978 1.00 2.68 H new ATOM 0 HD1 PHE A 67 12.869 2.915 6.292 1.00 3.64 H new ATOM 0 HD2 PHE A 67 11.678 0.839 2.806 1.00 3.29 H new ATOM 0 HE1 PHE A 67 12.751 0.786 7.598 1.00 4.73 H new ATOM 0 HE2 PHE A 67 11.560 -1.288 4.114 1.00 4.24 H new ATOM 0 HZ PHE A 67 12.098 -1.289 6.493 1.00 4.81 H new ATOM 1016 N THR A 68 10.401 6.391 3.150 1.00 2.91 N ATOM 1017 CA THR A 68 10.166 7.417 2.148 1.00 4.60 C ATOM 1018 C THR A 68 10.912 8.702 2.515 1.00 3.99 C ATOM 1019 O THR A 68 10.291 9.735 2.763 1.00 5.23 O ATOM 1020 CB THR A 68 8.654 7.609 2.014 1.00 6.18 C ATOM 1021 OG1 THR A 68 8.522 8.778 1.208 1.00 7.77 O ATOM 1022 CG2 THR A 68 7.993 7.995 3.339 1.00 6.82 C ATOM 0 H THR A 68 9.836 6.482 3.994 1.00 2.91 H new ATOM 0 HA THR A 68 10.558 7.118 1.176 1.00 4.60 H new ATOM 0 HB THR A 68 8.204 6.690 1.637 1.00 6.18 H new ATOM 0 HG1 THR A 68 8.027 8.558 0.391 1.00 7.77 H new ATOM 0 HG21 THR A 68 6.921 8.119 3.188 1.00 6.82 H new ATOM 0 HG22 THR A 68 8.168 7.210 4.075 1.00 6.82 H new ATOM 0 HG23 THR A 68 8.419 8.931 3.699 1.00 6.82 H new ATOM 1030 N ARG A 69 12.232 8.596 2.536 1.00 2.73 N ATOM 1031 CA ARG A 69 13.071 9.752 2.801 1.00 2.95 C ATOM 1032 C ARG A 69 12.368 10.707 3.768 1.00 3.15 C ATOM 1033 O ARG A 69 11.780 11.701 3.346 1.00 3.96 O ATOM 1034 CB ARG A 69 13.405 10.500 1.509 1.00 3.38 C ATOM 1035 CG ARG A 69 14.540 9.807 0.753 1.00 3.96 C ATOM 1036 CD ARG A 69 14.058 9.289 -0.605 1.00 5.64 C ATOM 1037 NE ARG A 69 15.204 9.159 -1.532 1.00 6.64 N ATOM 1038 CZ ARG A 69 15.694 10.166 -2.266 1.00 7.74 C ATOM 1039 NH1 ARG A 69 15.299 11.424 -2.026 1.00 8.10 N ATOM 1040 NH2 ARG A 69 16.581 9.918 -3.239 1.00 8.92 N ATOM 0 H ARG A 69 12.741 7.727 2.374 1.00 2.73 H new ATOM 0 HA ARG A 69 13.998 9.393 3.248 1.00 2.95 H new ATOM 0 HB2 ARG A 69 12.520 10.552 0.875 1.00 3.38 H new ATOM 0 HB3 ARG A 69 13.691 11.526 1.742 1.00 3.38 H new ATOM 0 HG2 ARG A 69 15.365 10.505 0.608 1.00 3.96 H new ATOM 0 HG3 ARG A 69 14.924 8.978 1.347 1.00 3.96 H new ATOM 0 HD2 ARG A 69 13.568 8.323 -0.482 1.00 5.64 H new ATOM 0 HD3 ARG A 69 13.318 9.972 -1.022 1.00 5.64 H new ATOM 0 HE ARG A 69 15.649 8.245 -1.617 1.00 6.64 H new ATOM 0 HH11 ARG A 69 14.625 11.614 -1.284 1.00 8.10 H new ATOM 0 HH12 ARG A 69 15.672 12.191 -2.585 1.00 8.10 H new ATOM 0 HH21 ARG A 69 16.884 8.961 -3.421 1.00 8.92 H new ATOM 0 HH22 ARG A 69 16.953 10.686 -3.797 1.00 8.92 H new ATOM 1054 N HIS A 70 12.452 10.372 5.047 1.00 3.10 N ATOM 1055 CA HIS A 70 11.764 11.142 6.069 1.00 3.73 C ATOM 1056 C HIS A 70 12.377 12.540 6.158 1.00 4.53 C ATOM 1057 O HIS A 70 13.061 12.862 7.129 1.00 5.36 O ATOM 1058 CB HIS A 70 11.778 10.402 7.408 1.00 3.87 C ATOM 1059 CG HIS A 70 11.194 9.011 7.349 1.00 3.26 C ATOM 1060 ND1 HIS A 70 11.908 7.881 7.706 1.00 3.67 N ATOM 1061 CD2 HIS A 70 9.956 8.580 6.970 1.00 3.44 C ATOM 1062 CE1 HIS A 70 11.126 6.823 7.545 1.00 3.40 C ATOM 1063 NE2 HIS A 70 9.916 7.258 7.088 1.00 3.63 N ATOM 0 H HIS A 70 12.986 9.578 5.399 1.00 3.10 H new ATOM 0 HA HIS A 70 10.715 11.260 5.796 1.00 3.73 H new ATOM 0 HB2 HIS A 70 12.806 10.338 7.765 1.00 3.87 H new ATOM 0 HB3 HIS A 70 11.222 10.987 8.140 1.00 3.87 H new ATOM 0 HD2 HIS A 70 9.145 9.208 6.631 1.00 3.44 H new ATOM 0 HE1 HIS A 70 11.399 5.797 7.741 1.00 3.40 H new ATOM 0 HE2 HIS A 70 9.114 6.666 6.873 1.00 3.63 H new ATOM 1071 N ASN A 71 12.110 13.335 5.132 1.00 4.60 N ATOM 1072 CA ASN A 71 12.614 14.697 5.090 1.00 5.52 C ATOM 1073 C ASN A 71 12.273 15.320 3.734 1.00 5.97 C ATOM 1074 O ASN A 71 13.088 16.033 3.153 1.00 7.19 O ATOM 1075 CB ASN A 71 14.134 14.727 5.255 1.00 5.78 C ATOM 1076 CG ASN A 71 14.523 15.102 6.687 1.00 6.84 C ATOM 1077 OD1 ASN A 71 13.922 15.957 7.317 1.00 7.28 O ATOM 1078 ND2 ASN A 71 15.558 14.417 7.163 1.00 7.91 N ATOM 0 H ASN A 71 11.551 13.062 4.324 1.00 4.60 H new ATOM 0 HA ASN A 71 12.152 15.253 5.906 1.00 5.52 H new ATOM 0 HB2 ASN A 71 14.550 13.751 5.005 1.00 5.78 H new ATOM 0 HB3 ASN A 71 14.565 15.445 4.557 1.00 5.78 H new ATOM 0 HD21 ASN A 71 15.895 14.594 8.110 1.00 7.91 H new ATOM 0 HD22 ASN A 71 16.016 13.715 6.582 1.00 7.91 H new ATOM 1085 N GLY A 72 11.067 15.027 3.270 1.00 5.33 N ATOM 1086 CA GLY A 72 10.648 15.462 1.949 1.00 5.86 C ATOM 1087 C GLY A 72 9.653 14.473 1.337 1.00 4.99 C ATOM 1088 O GLY A 72 8.447 14.591 1.546 1.00 5.57 O ATOM 0 H GLY A 72 10.367 14.494 3.786 1.00 5.33 H new ATOM 0 HA2 GLY A 72 10.191 16.449 2.015 1.00 5.86 H new ATOM 0 HA3 GLY A 72 11.519 15.556 1.300 1.00 5.86 H new ATOM 1092 N THR A 73 10.197 13.521 0.593 1.00 4.08 N ATOM 1093 CA THR A 73 9.369 12.594 -0.158 1.00 3.57 C ATOM 1094 C THR A 73 10.230 11.495 -0.783 1.00 3.28 C ATOM 1095 O THR A 73 11.052 11.766 -1.657 1.00 4.43 O ATOM 1096 CB THR A 73 8.571 13.399 -1.187 1.00 3.88 C ATOM 1097 OG1 THR A 73 7.983 12.407 -2.024 1.00 3.77 O ATOM 1098 CG2 THR A 73 9.472 14.197 -2.132 1.00 4.20 C ATOM 0 H THR A 73 11.201 13.372 0.495 1.00 4.08 H new ATOM 0 HA THR A 73 8.662 12.079 0.493 1.00 3.57 H new ATOM 0 HB THR A 73 7.894 14.079 -0.670 1.00 3.88 H new ATOM 0 HG1 THR A 73 8.156 12.627 -2.963 1.00 3.77 H new ATOM 0 HG21 THR A 73 8.856 14.750 -2.842 1.00 4.20 H new ATOM 0 HG22 THR A 73 10.076 14.896 -1.554 1.00 4.20 H new ATOM 0 HG23 THR A 73 10.126 13.514 -2.674 1.00 4.20 H new ATOM 1106 N GLY A 74 10.012 10.277 -0.310 1.00 2.50 N ATOM 1107 CA GLY A 74 10.779 9.139 -0.790 1.00 2.65 C ATOM 1108 C GLY A 74 9.866 7.950 -1.094 1.00 2.87 C ATOM 1109 O GLY A 74 8.685 8.130 -1.391 1.00 4.05 O ATOM 0 H GLY A 74 9.315 10.053 0.401 1.00 2.50 H new ATOM 0 HA2 GLY A 74 11.328 9.419 -1.689 1.00 2.65 H new ATOM 0 HA3 GLY A 74 11.518 8.852 -0.042 1.00 2.65 H new ATOM 1113 N GLY A 75 10.447 6.762 -1.010 1.00 2.38 N ATOM 1114 CA GLY A 75 9.686 5.541 -1.218 1.00 2.70 C ATOM 1115 C GLY A 75 10.515 4.502 -1.977 1.00 2.07 C ATOM 1116 O GLY A 75 10.413 4.393 -3.197 1.00 2.66 O ATOM 0 H GLY A 75 11.435 6.619 -0.801 1.00 2.38 H new ATOM 0 HA2 GLY A 75 9.376 5.133 -0.256 1.00 2.70 H new ATOM 0 HA3 GLY A 75 8.777 5.765 -1.776 1.00 2.70 H new ATOM 1120 N LYS A 76 11.316 3.766 -1.221 1.00 1.84 N ATOM 1121 CA LYS A 76 12.384 2.976 -1.811 1.00 1.63 C ATOM 1122 C LYS A 76 11.819 1.635 -2.285 1.00 1.47 C ATOM 1123 O LYS A 76 10.640 1.350 -2.085 1.00 1.87 O ATOM 1124 CB LYS A 76 13.553 2.841 -0.833 1.00 2.35 C ATOM 1125 CG LYS A 76 14.160 4.207 -0.510 1.00 3.06 C ATOM 1126 CD LYS A 76 15.227 4.091 0.579 1.00 3.90 C ATOM 1127 CE LYS A 76 16.098 5.347 0.631 1.00 4.48 C ATOM 1128 NZ LYS A 76 17.103 5.326 -0.454 1.00 4.64 N ATOM 0 H LYS A 76 11.247 3.700 -0.205 1.00 1.84 H new ATOM 0 HA LYS A 76 12.790 3.479 -2.689 1.00 1.63 H new ATOM 0 HB2 LYS A 76 13.210 2.366 0.086 1.00 2.35 H new ATOM 0 HB3 LYS A 76 14.317 2.192 -1.262 1.00 2.35 H new ATOM 0 HG2 LYS A 76 14.600 4.635 -1.411 1.00 3.06 H new ATOM 0 HG3 LYS A 76 13.375 4.889 -0.183 1.00 3.06 H new ATOM 0 HD2 LYS A 76 14.749 3.936 1.546 1.00 3.90 H new ATOM 0 HD3 LYS A 76 15.852 3.219 0.389 1.00 3.90 H new ATOM 0 HE2 LYS A 76 15.472 6.235 0.538 1.00 4.48 H new ATOM 0 HE3 LYS A 76 16.599 5.410 1.597 1.00 4.48 H new ATOM 0 HZ1 LYS A 76 17.880 5.976 -0.220 1.00 4.64 H new ATOM 0 HZ2 LYS A 76 17.478 4.362 -0.561 1.00 4.64 H new ATOM 0 HZ3 LYS A 76 16.658 5.625 -1.345 1.00 4.64 H new ATOM 1142 N SER A 77 12.688 0.849 -2.902 1.00 1.40 N ATOM 1143 CA SER A 77 12.303 -0.472 -3.366 1.00 1.35 C ATOM 1144 C SER A 77 13.395 -1.488 -3.024 1.00 1.52 C ATOM 1145 O SER A 77 14.310 -1.186 -2.258 1.00 2.11 O ATOM 1146 CB SER A 77 12.033 -0.471 -4.872 1.00 1.41 C ATOM 1147 OG SER A 77 11.892 -1.790 -5.392 1.00 2.24 O ATOM 0 H SER A 77 13.658 1.102 -3.091 1.00 1.40 H new ATOM 0 HA SER A 77 11.381 -0.755 -2.859 1.00 1.35 H new ATOM 0 HB2 SER A 77 11.126 0.098 -5.077 1.00 1.41 H new ATOM 0 HB3 SER A 77 12.850 0.035 -5.386 1.00 1.41 H new ATOM 0 HG SER A 77 10.945 -1.973 -5.568 1.00 2.24 H new ATOM 1153 N ILE A 78 13.264 -2.670 -3.608 1.00 1.18 N ATOM 1154 CA ILE A 78 14.176 -3.760 -3.304 1.00 1.43 C ATOM 1155 C ILE A 78 15.294 -3.790 -4.348 1.00 1.60 C ATOM 1156 O ILE A 78 16.344 -4.387 -4.122 1.00 1.93 O ATOM 1157 CB ILE A 78 13.412 -5.079 -3.183 1.00 1.47 C ATOM 1158 CG1 ILE A 78 12.712 -5.432 -4.497 1.00 1.61 C ATOM 1159 CG2 ILE A 78 12.435 -5.041 -2.006 1.00 1.98 C ATOM 1160 CD1 ILE A 78 12.723 -6.943 -4.737 1.00 1.67 C ATOM 0 H ILE A 78 12.540 -2.897 -4.290 1.00 1.18 H new ATOM 0 HA ILE A 78 14.649 -3.602 -2.335 1.00 1.43 H new ATOM 0 HB ILE A 78 14.132 -5.872 -2.979 1.00 1.47 H new ATOM 0 HG12 ILE A 78 11.684 -5.072 -4.473 1.00 1.61 H new ATOM 0 HG13 ILE A 78 13.208 -4.925 -5.325 1.00 1.61 H new ATOM 0 HG21 ILE A 78 11.905 -5.991 -1.943 1.00 1.98 H new ATOM 0 HG22 ILE A 78 12.986 -4.870 -1.081 1.00 1.98 H new ATOM 0 HG23 ILE A 78 11.717 -4.234 -2.155 1.00 1.98 H new ATOM 0 HD11 ILE A 78 12.219 -7.166 -5.678 1.00 1.67 H new ATOM 0 HD12 ILE A 78 13.753 -7.296 -4.785 1.00 1.67 H new ATOM 0 HD13 ILE A 78 12.205 -7.445 -3.920 1.00 1.67 H new ATOM 1172 N TYR A 79 15.029 -3.138 -5.472 1.00 1.50 N ATOM 1173 CA TYR A 79 15.993 -3.096 -6.557 1.00 1.78 C ATOM 1174 C TYR A 79 16.592 -1.696 -6.704 1.00 1.74 C ATOM 1175 O TYR A 79 17.437 -1.466 -7.568 1.00 2.00 O ATOM 1176 CB TYR A 79 15.212 -3.439 -7.828 1.00 1.85 C ATOM 1177 CG TYR A 79 14.772 -4.902 -7.912 1.00 2.11 C ATOM 1178 CD1 TYR A 79 15.712 -5.910 -7.832 1.00 3.18 C ATOM 1179 CD2 TYR A 79 13.437 -5.213 -8.067 1.00 2.19 C ATOM 1180 CE1 TYR A 79 15.298 -7.287 -7.912 1.00 3.51 C ATOM 1181 CE2 TYR A 79 13.024 -6.590 -8.146 1.00 2.50 C ATOM 1182 CZ TYR A 79 13.975 -7.559 -8.065 1.00 2.83 C ATOM 1183 OH TYR A 79 13.584 -8.860 -8.139 1.00 3.25 O ATOM 0 H TYR A 79 14.160 -2.635 -5.653 1.00 1.50 H new ATOM 0 HA TYR A 79 16.813 -3.790 -6.369 1.00 1.78 H new ATOM 0 HB2 TYR A 79 14.330 -2.801 -7.883 1.00 1.85 H new ATOM 0 HB3 TYR A 79 15.829 -3.205 -8.696 1.00 1.85 H new ATOM 0 HD1 TYR A 79 16.757 -5.666 -7.710 1.00 3.18 H new ATOM 0 HD2 TYR A 79 12.702 -4.424 -8.129 1.00 2.19 H new ATOM 0 HE1 TYR A 79 16.022 -8.086 -7.852 1.00 3.51 H new ATOM 0 HE2 TYR A 79 11.982 -6.848 -8.267 1.00 2.50 H new ATOM 0 HH TYR A 79 12.611 -8.904 -8.247 1.00 3.25 H new ATOM 1193 N GLY A 80 16.131 -0.797 -5.847 1.00 1.55 N ATOM 1194 CA GLY A 80 16.605 0.577 -5.876 1.00 1.61 C ATOM 1195 C GLY A 80 15.658 1.500 -5.106 1.00 1.90 C ATOM 1196 O GLY A 80 15.149 1.131 -4.049 1.00 3.07 O ATOM 0 H GLY A 80 15.434 -0.993 -5.128 1.00 1.55 H new ATOM 0 HA2 GLY A 80 17.603 0.630 -5.442 1.00 1.61 H new ATOM 0 HA3 GLY A 80 16.688 0.915 -6.909 1.00 1.61 H new ATOM 1200 N GLU A 81 15.452 2.683 -5.666 1.00 1.52 N ATOM 1201 CA GLU A 81 14.458 3.599 -5.134 1.00 1.55 C ATOM 1202 C GLU A 81 13.173 3.529 -5.961 1.00 1.39 C ATOM 1203 O GLU A 81 12.081 3.747 -5.438 1.00 1.44 O ATOM 1204 CB GLU A 81 15.001 5.029 -5.085 1.00 1.87 C ATOM 1205 CG GLU A 81 16.205 5.127 -4.146 1.00 2.91 C ATOM 1206 CD GLU A 81 16.379 6.556 -3.624 1.00 3.24 C ATOM 1207 OE1 GLU A 81 16.609 7.444 -4.472 1.00 2.91 O ATOM 1208 OE2 GLU A 81 16.277 6.726 -2.391 1.00 4.45 O ATOM 0 H GLU A 81 15.957 3.028 -6.483 1.00 1.52 H new ATOM 0 HA GLU A 81 14.226 3.298 -4.113 1.00 1.55 H new ATOM 0 HB2 GLU A 81 15.290 5.346 -6.087 1.00 1.87 H new ATOM 0 HB3 GLU A 81 14.217 5.708 -4.749 1.00 1.87 H new ATOM 0 HG2 GLU A 81 16.073 4.443 -3.307 1.00 2.91 H new ATOM 0 HG3 GLU A 81 17.107 4.816 -4.672 1.00 2.91 H new ATOM 1215 N LYS A 82 13.345 3.223 -7.237 1.00 1.32 N ATOM 1216 CA LYS A 82 12.216 3.154 -8.150 1.00 1.22 C ATOM 1217 C LYS A 82 12.434 2.006 -9.138 1.00 1.21 C ATOM 1218 O LYS A 82 13.520 1.432 -9.199 1.00 1.32 O ATOM 1219 CB LYS A 82 11.987 4.509 -8.822 1.00 1.25 C ATOM 1220 CG LYS A 82 12.057 5.646 -7.802 1.00 2.14 C ATOM 1221 CD LYS A 82 11.891 7.006 -8.483 1.00 2.58 C ATOM 1222 CE LYS A 82 11.672 8.114 -7.451 1.00 3.95 C ATOM 1223 NZ LYS A 82 11.650 9.439 -8.110 1.00 4.71 N ATOM 0 H LYS A 82 14.250 3.020 -7.662 1.00 1.32 H new ATOM 0 HA LYS A 82 11.298 2.936 -7.605 1.00 1.22 H new ATOM 0 HB2 LYS A 82 12.736 4.665 -9.598 1.00 1.25 H new ATOM 0 HB3 LYS A 82 11.014 4.516 -9.313 1.00 1.25 H new ATOM 0 HG2 LYS A 82 11.278 5.514 -7.051 1.00 2.14 H new ATOM 0 HG3 LYS A 82 13.013 5.612 -7.279 1.00 2.14 H new ATOM 0 HD2 LYS A 82 12.776 7.229 -9.078 1.00 2.58 H new ATOM 0 HD3 LYS A 82 11.045 6.972 -9.170 1.00 2.58 H new ATOM 0 HE2 LYS A 82 10.732 7.948 -6.924 1.00 3.95 H new ATOM 0 HE3 LYS A 82 12.466 8.086 -6.704 1.00 3.95 H new ATOM 0 HZ1 LYS A 82 12.005 10.161 -7.450 1.00 4.71 H new ATOM 0 HZ2 LYS A 82 12.255 9.416 -8.956 1.00 4.71 H new ATOM 0 HZ3 LYS A 82 10.675 9.673 -8.387 1.00 4.71 H new ATOM 1237 N PHE A 83 11.382 1.705 -9.886 1.00 1.18 N ATOM 1238 CA PHE A 83 11.486 0.739 -10.968 1.00 1.30 C ATOM 1239 C PHE A 83 10.283 0.839 -11.908 1.00 1.18 C ATOM 1240 O PHE A 83 9.296 1.501 -11.591 1.00 1.08 O ATOM 1241 CB PHE A 83 11.505 -0.649 -10.328 1.00 1.54 C ATOM 1242 CG PHE A 83 10.257 -0.973 -9.504 1.00 1.59 C ATOM 1243 CD1 PHE A 83 10.137 -0.499 -8.235 1.00 3.37 C ATOM 1244 CD2 PHE A 83 9.266 -1.734 -10.042 1.00 1.42 C ATOM 1245 CE1 PHE A 83 8.978 -0.800 -7.471 1.00 3.92 C ATOM 1246 CE2 PHE A 83 8.107 -2.033 -9.278 1.00 1.69 C ATOM 1247 CZ PHE A 83 7.988 -1.560 -8.009 1.00 2.69 C ATOM 0 H PHE A 83 10.455 2.112 -9.765 1.00 1.18 H new ATOM 0 HA PHE A 83 12.386 0.929 -11.552 1.00 1.30 H new ATOM 0 HB2 PHE A 83 11.614 -1.398 -11.113 1.00 1.54 H new ATOM 0 HB3 PHE A 83 12.382 -0.730 -9.686 1.00 1.54 H new ATOM 0 HD1 PHE A 83 10.923 0.106 -7.808 1.00 3.37 H new ATOM 0 HD2 PHE A 83 9.361 -2.111 -11.050 1.00 1.42 H new ATOM 0 HE1 PHE A 83 8.883 -0.425 -6.463 1.00 3.92 H new ATOM 0 HE2 PHE A 83 7.320 -2.636 -9.705 1.00 1.69 H new ATOM 0 HZ PHE A 83 7.107 -1.788 -7.428 1.00 2.69 H new ATOM 1257 N GLU A 84 10.405 0.170 -13.045 1.00 1.27 N ATOM 1258 CA GLU A 84 9.422 0.314 -14.106 1.00 1.21 C ATOM 1259 C GLU A 84 8.088 -0.306 -13.683 1.00 1.11 C ATOM 1260 O GLU A 84 8.029 -1.053 -12.707 1.00 1.13 O ATOM 1261 CB GLU A 84 9.928 -0.309 -15.409 1.00 1.38 C ATOM 1262 CG GLU A 84 11.075 0.513 -16.000 1.00 2.48 C ATOM 1263 CD GLU A 84 11.486 -0.026 -17.371 1.00 2.85 C ATOM 1264 OE1 GLU A 84 12.108 -1.110 -17.391 1.00 2.96 O ATOM 1265 OE2 GLU A 84 11.170 0.657 -18.369 1.00 3.92 O ATOM 0 H GLU A 84 11.169 -0.473 -13.255 1.00 1.27 H new ATOM 0 HA GLU A 84 9.264 1.377 -14.287 1.00 1.21 H new ATOM 0 HB2 GLU A 84 10.265 -1.329 -15.222 1.00 1.38 H new ATOM 0 HB3 GLU A 84 9.111 -0.370 -16.128 1.00 1.38 H new ATOM 0 HG2 GLU A 84 10.770 1.556 -16.092 1.00 2.48 H new ATOM 0 HG3 GLU A 84 11.930 0.489 -15.325 1.00 2.48 H new ATOM 1272 N ASP A 85 7.052 0.025 -14.439 1.00 1.12 N ATOM 1273 CA ASP A 85 5.732 -0.526 -14.181 1.00 1.10 C ATOM 1274 C ASP A 85 5.547 -1.801 -15.007 1.00 1.16 C ATOM 1275 O ASP A 85 6.349 -2.094 -15.892 1.00 1.84 O ATOM 1276 CB ASP A 85 4.635 0.462 -14.585 1.00 1.14 C ATOM 1277 CG ASP A 85 4.698 1.820 -13.884 1.00 1.99 C ATOM 1278 OD1 ASP A 85 4.515 1.830 -12.648 1.00 3.13 O ATOM 1279 OD2 ASP A 85 4.930 2.819 -14.600 1.00 2.81 O ATOM 0 H ASP A 85 7.099 0.667 -15.230 1.00 1.12 H new ATOM 0 HA ASP A 85 5.655 -0.734 -13.114 1.00 1.10 H new ATOM 0 HB2 ASP A 85 4.690 0.623 -15.662 1.00 1.14 H new ATOM 0 HB3 ASP A 85 3.665 0.009 -14.380 1.00 1.14 H new ATOM 1284 N GLU A 86 4.484 -2.526 -14.686 1.00 0.99 N ATOM 1285 CA GLU A 86 4.171 -3.752 -15.400 1.00 0.99 C ATOM 1286 C GLU A 86 3.118 -3.484 -16.477 1.00 0.96 C ATOM 1287 O GLU A 86 3.357 -3.730 -17.659 1.00 1.13 O ATOM 1288 CB GLU A 86 3.705 -4.844 -14.436 1.00 1.01 C ATOM 1289 CG GLU A 86 4.653 -6.044 -14.468 1.00 1.98 C ATOM 1290 CD GLU A 86 4.651 -6.708 -15.846 1.00 2.82 C ATOM 1291 OE1 GLU A 86 3.559 -6.758 -16.451 1.00 3.74 O ATOM 1292 OE2 GLU A 86 5.743 -7.151 -16.264 1.00 3.81 O ATOM 0 H GLU A 86 3.829 -2.287 -13.941 1.00 0.99 H new ATOM 0 HA GLU A 86 5.079 -4.108 -15.888 1.00 0.99 H new ATOM 0 HB2 GLU A 86 3.654 -4.443 -13.424 1.00 1.01 H new ATOM 0 HB3 GLU A 86 2.698 -5.164 -14.703 1.00 1.01 H new ATOM 0 HG2 GLU A 86 5.663 -5.720 -14.218 1.00 1.98 H new ATOM 0 HG3 GLU A 86 4.354 -6.769 -13.711 1.00 1.98 H new ATOM 1299 N ASN A 87 1.975 -2.985 -16.031 1.00 0.90 N ATOM 1300 CA ASN A 87 0.855 -2.761 -16.929 1.00 0.88 C ATOM 1301 C ASN A 87 -0.334 -2.224 -16.129 1.00 0.89 C ATOM 1302 O ASN A 87 -0.233 -2.018 -14.921 1.00 1.13 O ATOM 1303 CB ASN A 87 0.420 -4.064 -17.603 1.00 0.95 C ATOM 1304 CG ASN A 87 0.050 -5.123 -16.564 1.00 1.25 C ATOM 1305 OD1 ASN A 87 -0.973 -5.051 -15.903 1.00 2.58 O ATOM 1306 ND2 ASN A 87 0.938 -6.108 -16.455 1.00 1.05 N ATOM 0 H ASN A 87 1.800 -2.729 -15.059 1.00 0.90 H new ATOM 0 HA ASN A 87 1.171 -2.048 -17.691 1.00 0.88 H new ATOM 0 HB2 ASN A 87 -0.434 -3.874 -18.253 1.00 0.95 H new ATOM 0 HB3 ASN A 87 1.226 -4.436 -18.236 1.00 0.95 H new ATOM 0 HD21 ASN A 87 0.782 -6.863 -15.787 1.00 1.05 H new ATOM 0 HD22 ASN A 87 1.774 -6.108 -17.039 1.00 1.05 H new ATOM 1313 N PHE A 88 -1.435 -2.011 -16.836 1.00 0.78 N ATOM 1314 CA PHE A 88 -2.683 -1.648 -16.188 1.00 0.76 C ATOM 1315 C PHE A 88 -3.813 -2.592 -16.606 1.00 0.76 C ATOM 1316 O PHE A 88 -4.905 -2.142 -16.950 1.00 0.79 O ATOM 1317 CB PHE A 88 -3.026 -0.228 -16.643 1.00 0.82 C ATOM 1318 CG PHE A 88 -1.996 0.825 -16.225 1.00 0.91 C ATOM 1319 CD1 PHE A 88 -1.955 1.262 -14.938 1.00 2.02 C ATOM 1320 CD2 PHE A 88 -1.124 1.322 -17.141 1.00 1.62 C ATOM 1321 CE1 PHE A 88 -0.999 2.239 -14.551 1.00 2.18 C ATOM 1322 CE2 PHE A 88 -0.168 2.299 -16.755 1.00 1.61 C ATOM 1323 CZ PHE A 88 -0.127 2.737 -15.468 1.00 1.19 C ATOM 0 H PHE A 88 -1.488 -2.083 -17.852 1.00 0.78 H new ATOM 0 HA PHE A 88 -2.573 -1.713 -15.106 1.00 0.76 H new ATOM 0 HB2 PHE A 88 -3.121 -0.218 -17.729 1.00 0.82 H new ATOM 0 HB3 PHE A 88 -3.999 0.048 -16.236 1.00 0.82 H new ATOM 0 HD1 PHE A 88 -2.649 0.867 -14.211 1.00 2.02 H new ATOM 0 HD2 PHE A 88 -1.158 0.974 -18.163 1.00 1.62 H new ATOM 0 HE1 PHE A 88 -0.965 2.586 -13.529 1.00 2.18 H new ATOM 0 HE2 PHE A 88 0.526 2.694 -17.483 1.00 1.61 H new ATOM 0 HZ PHE A 88 0.599 3.481 -15.174 1.00 1.19 H new ATOM 1333 N ILE A 89 -3.511 -3.881 -16.561 1.00 0.78 N ATOM 1334 CA ILE A 89 -4.482 -4.890 -16.947 1.00 0.78 C ATOM 1335 C ILE A 89 -5.616 -4.919 -15.921 1.00 0.72 C ATOM 1336 O ILE A 89 -6.722 -5.364 -16.225 1.00 0.77 O ATOM 1337 CB ILE A 89 -3.798 -6.244 -17.145 1.00 0.82 C ATOM 1338 CG1 ILE A 89 -2.962 -6.253 -18.427 1.00 0.89 C ATOM 1339 CG2 ILE A 89 -4.819 -7.384 -17.118 1.00 0.86 C ATOM 1340 CD1 ILE A 89 -1.970 -7.419 -18.426 1.00 0.89 C ATOM 0 H ILE A 89 -2.608 -4.250 -16.263 1.00 0.78 H new ATOM 0 HA ILE A 89 -4.928 -4.640 -17.910 1.00 0.78 H new ATOM 0 HB ILE A 89 -3.113 -6.406 -16.312 1.00 0.82 H new ATOM 0 HG12 ILE A 89 -3.619 -6.330 -19.293 1.00 0.89 H new ATOM 0 HG13 ILE A 89 -2.422 -5.311 -18.520 1.00 0.89 H new ATOM 0 HG21 ILE A 89 -4.306 -8.335 -17.261 1.00 0.86 H new ATOM 0 HG22 ILE A 89 -5.333 -7.390 -16.157 1.00 0.86 H new ATOM 0 HG23 ILE A 89 -5.546 -7.240 -17.917 1.00 0.86 H new ATOM 0 HD11 ILE A 89 -1.388 -7.403 -19.348 1.00 0.89 H new ATOM 0 HD12 ILE A 89 -1.299 -7.325 -17.572 1.00 0.89 H new ATOM 0 HD13 ILE A 89 -2.515 -8.360 -18.358 1.00 0.89 H new ATOM 1352 N LEU A 90 -5.304 -4.438 -14.727 1.00 0.76 N ATOM 1353 CA LEU A 90 -6.265 -4.455 -13.638 1.00 0.70 C ATOM 1354 C LEU A 90 -7.040 -3.136 -13.626 1.00 0.67 C ATOM 1355 O LEU A 90 -6.742 -2.230 -14.404 1.00 0.80 O ATOM 1356 CB LEU A 90 -5.569 -4.771 -12.313 1.00 0.76 C ATOM 1357 CG LEU A 90 -4.757 -6.067 -12.275 1.00 1.06 C ATOM 1358 CD1 LEU A 90 -5.584 -7.247 -12.790 1.00 1.27 C ATOM 1359 CD2 LEU A 90 -3.441 -5.913 -13.038 1.00 2.64 C ATOM 0 H LEU A 90 -4.398 -4.034 -14.490 1.00 0.76 H new ATOM 0 HA LEU A 90 -6.994 -5.252 -13.786 1.00 0.70 H new ATOM 0 HB2 LEU A 90 -4.905 -3.942 -12.067 1.00 0.76 H new ATOM 0 HB3 LEU A 90 -6.326 -4.816 -11.530 1.00 0.76 H new ATOM 0 HG LEU A 90 -4.503 -6.280 -11.237 1.00 1.06 H new ATOM 0 HD11 LEU A 90 -4.984 -8.156 -12.753 1.00 1.27 H new ATOM 0 HD12 LEU A 90 -6.469 -7.371 -12.166 1.00 1.27 H new ATOM 0 HD13 LEU A 90 -5.889 -7.056 -13.819 1.00 1.27 H new ATOM 0 HD21 LEU A 90 -2.884 -6.849 -12.995 1.00 2.64 H new ATOM 0 HD22 LEU A 90 -3.651 -5.663 -14.078 1.00 2.64 H new ATOM 0 HD23 LEU A 90 -2.849 -5.117 -12.586 1.00 2.64 H new ATOM 1371 N LYS A 91 -8.018 -3.067 -12.735 1.00 0.71 N ATOM 1372 CA LYS A 91 -8.850 -1.883 -12.627 1.00 0.72 C ATOM 1373 C LYS A 91 -9.205 -1.645 -11.157 1.00 0.66 C ATOM 1374 O LYS A 91 -8.791 -2.409 -10.285 1.00 0.62 O ATOM 1375 CB LYS A 91 -10.072 -1.999 -13.541 1.00 0.78 C ATOM 1376 CG LYS A 91 -9.692 -1.729 -14.999 1.00 1.22 C ATOM 1377 CD LYS A 91 -10.915 -1.298 -15.813 1.00 1.45 C ATOM 1378 CE LYS A 91 -12.012 -2.363 -15.759 1.00 1.78 C ATOM 1379 NZ LYS A 91 -13.078 -2.058 -16.740 1.00 2.86 N ATOM 0 H LYS A 91 -8.252 -3.814 -12.081 1.00 0.71 H new ATOM 0 HA LYS A 91 -8.305 -1.004 -12.971 1.00 0.72 H new ATOM 0 HB2 LYS A 91 -10.504 -2.996 -13.452 1.00 0.78 H new ATOM 0 HB3 LYS A 91 -10.837 -1.291 -13.223 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -8.929 -0.951 -15.042 1.00 1.22 H new ATOM 0 HG3 LYS A 91 -9.257 -2.627 -15.438 1.00 1.22 H new ATOM 0 HD2 LYS A 91 -11.300 -0.354 -15.426 1.00 1.45 H new ATOM 0 HD3 LYS A 91 -10.624 -1.123 -16.849 1.00 1.45 H new ATOM 0 HE2 LYS A 91 -11.586 -3.344 -15.969 1.00 1.78 H new ATOM 0 HE3 LYS A 91 -12.435 -2.408 -14.755 1.00 1.78 H new ATOM 0 HZ1 LYS A 91 -13.815 -2.790 -16.691 1.00 2.86 H new ATOM 0 HZ2 LYS A 91 -13.496 -1.131 -16.522 1.00 2.86 H new ATOM 0 HZ3 LYS A 91 -12.673 -2.038 -17.698 1.00 2.86 H new ATOM 1393 N HIS A 92 -9.966 -0.586 -10.927 1.00 0.69 N ATOM 1394 CA HIS A 92 -10.485 -0.310 -9.599 1.00 0.64 C ATOM 1395 C HIS A 92 -11.943 -0.769 -9.512 1.00 0.57 C ATOM 1396 O HIS A 92 -12.858 0.006 -9.788 1.00 0.65 O ATOM 1397 CB HIS A 92 -10.305 1.166 -9.240 1.00 0.73 C ATOM 1398 CG HIS A 92 -8.902 1.527 -8.813 1.00 1.07 C ATOM 1399 ND1 HIS A 92 -7.814 1.442 -9.664 1.00 0.84 N ATOM 1400 CD2 HIS A 92 -8.423 1.976 -7.617 1.00 2.69 C ATOM 1401 CE1 HIS A 92 -6.733 1.825 -9.000 1.00 0.88 C ATOM 1402 NE2 HIS A 92 -7.112 2.154 -7.731 1.00 2.39 N ATOM 0 H HIS A 92 -10.236 0.092 -11.639 1.00 0.69 H new ATOM 0 HA HIS A 92 -9.918 -0.874 -8.859 1.00 0.64 H new ATOM 0 HB2 HIS A 92 -10.580 1.775 -10.101 1.00 0.73 H new ATOM 0 HB3 HIS A 92 -10.996 1.421 -8.436 1.00 0.73 H new ATOM 0 HD1 HIS A 92 -7.840 1.137 -10.637 1.00 0.84 H new ATOM 0 HD2 HIS A 92 -9.010 2.156 -6.729 1.00 2.69 H new ATOM 0 HE1 HIS A 92 -5.728 1.869 -9.394 1.00 0.88 H new ATOM 1410 N THR A 93 -12.113 -2.025 -9.128 1.00 0.51 N ATOM 1411 CA THR A 93 -13.429 -2.642 -9.147 1.00 0.55 C ATOM 1412 C THR A 93 -14.278 -2.122 -7.986 1.00 0.63 C ATOM 1413 O THR A 93 -15.502 -2.240 -8.007 1.00 0.97 O ATOM 1414 CB THR A 93 -13.239 -4.160 -9.131 1.00 0.66 C ATOM 1415 OG1 THR A 93 -12.814 -4.442 -7.800 1.00 0.66 O ATOM 1416 CG2 THR A 93 -12.065 -4.613 -10.001 1.00 1.14 C ATOM 0 H THR A 93 -11.362 -2.633 -8.802 1.00 0.51 H new ATOM 0 HA THR A 93 -13.977 -2.379 -10.052 1.00 0.55 H new ATOM 0 HB THR A 93 -14.153 -4.644 -9.475 1.00 0.66 H new ATOM 0 HG1 THR A 93 -12.669 -5.406 -7.700 1.00 0.66 H new ATOM 0 HG21 THR A 93 -11.975 -5.698 -9.954 1.00 1.14 H new ATOM 0 HG22 THR A 93 -12.238 -4.308 -11.033 1.00 1.14 H new ATOM 0 HG23 THR A 93 -11.145 -4.156 -9.637 1.00 1.14 H new ATOM 1424 N GLY A 94 -13.595 -1.559 -7.000 1.00 0.49 N ATOM 1425 CA GLY A 94 -14.272 -1.016 -5.835 1.00 0.60 C ATOM 1426 C GLY A 94 -13.388 -1.120 -4.590 1.00 0.57 C ATOM 1427 O GLY A 94 -12.164 -1.053 -4.686 1.00 0.56 O ATOM 0 H GLY A 94 -12.579 -1.467 -6.984 1.00 0.49 H new ATOM 0 HA2 GLY A 94 -14.533 0.027 -6.014 1.00 0.60 H new ATOM 0 HA3 GLY A 94 -15.205 -1.554 -5.669 1.00 0.60 H new ATOM 1431 N PRO A 95 -14.062 -1.287 -3.420 1.00 0.58 N ATOM 1432 CA PRO A 95 -13.354 -1.358 -2.153 1.00 0.56 C ATOM 1433 C PRO A 95 -12.660 -2.711 -1.987 1.00 0.57 C ATOM 1434 O PRO A 95 -13.128 -3.720 -2.512 1.00 0.60 O ATOM 1435 CB PRO A 95 -14.414 -1.100 -1.095 1.00 0.60 C ATOM 1436 CG PRO A 95 -15.751 -1.355 -1.773 1.00 0.63 C ATOM 1437 CD PRO A 95 -15.509 -1.412 -3.273 1.00 0.62 C ATOM 0 HA PRO A 95 -12.550 -0.626 -2.079 1.00 0.56 H new ATOM 0 HB2 PRO A 95 -14.279 -1.760 -0.238 1.00 0.60 H new ATOM 0 HB3 PRO A 95 -14.354 -0.077 -0.723 1.00 0.60 H new ATOM 0 HG2 PRO A 95 -16.186 -2.290 -1.421 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -16.459 -0.563 -1.530 1.00 0.63 H new ATOM 0 HD2 PRO A 95 -15.871 -2.349 -3.697 1.00 0.62 H new ATOM 0 HD3 PRO A 95 -16.031 -0.606 -3.789 1.00 0.62 H new ATOM 1445 N GLY A 96 -11.556 -2.690 -1.256 1.00 0.60 N ATOM 1446 CA GLY A 96 -10.808 -3.906 -0.994 1.00 0.62 C ATOM 1447 C GLY A 96 -9.695 -4.099 -2.026 1.00 0.63 C ATOM 1448 O GLY A 96 -9.090 -5.167 -2.100 1.00 0.98 O ATOM 0 H GLY A 96 -11.161 -1.848 -0.836 1.00 0.60 H new ATOM 0 HA2 GLY A 96 -10.378 -3.864 0.007 1.00 0.62 H new ATOM 0 HA3 GLY A 96 -11.481 -4.763 -1.016 1.00 0.62 H new ATOM 1452 N ILE A 97 -9.459 -3.047 -2.798 1.00 0.57 N ATOM 1453 CA ILE A 97 -8.474 -3.108 -3.865 1.00 0.55 C ATOM 1454 C ILE A 97 -7.146 -2.540 -3.359 1.00 0.65 C ATOM 1455 O ILE A 97 -7.121 -1.504 -2.696 1.00 0.86 O ATOM 1456 CB ILE A 97 -9.002 -2.412 -5.120 1.00 0.57 C ATOM 1457 CG1 ILE A 97 -10.135 -3.219 -5.758 1.00 0.90 C ATOM 1458 CG2 ILE A 97 -7.868 -2.134 -6.110 1.00 0.61 C ATOM 1459 CD1 ILE A 97 -9.581 -4.355 -6.621 1.00 0.69 C ATOM 0 H ILE A 97 -9.933 -2.148 -2.706 1.00 0.57 H new ATOM 0 HA ILE A 97 -8.289 -4.142 -4.156 1.00 0.55 H new ATOM 0 HB ILE A 97 -9.418 -1.448 -4.828 1.00 0.57 H new ATOM 0 HG12 ILE A 97 -10.777 -3.629 -4.979 1.00 0.90 H new ATOM 0 HG13 ILE A 97 -10.755 -2.562 -6.369 1.00 0.90 H new ATOM 0 HG21 ILE A 97 -8.270 -1.639 -6.994 1.00 0.61 H new ATOM 0 HG22 ILE A 97 -7.124 -1.491 -5.640 1.00 0.61 H new ATOM 0 HG23 ILE A 97 -7.401 -3.075 -6.402 1.00 0.61 H new ATOM 0 HD11 ILE A 97 -10.407 -4.913 -7.062 1.00 0.69 H new ATOM 0 HD12 ILE A 97 -8.959 -3.940 -7.414 1.00 0.69 H new ATOM 0 HD13 ILE A 97 -8.982 -5.023 -6.002 1.00 0.69 H new ATOM 1471 N LEU A 98 -6.073 -3.244 -3.690 1.00 0.59 N ATOM 1472 CA LEU A 98 -4.743 -2.814 -3.294 1.00 0.68 C ATOM 1473 C LEU A 98 -4.057 -2.136 -4.481 1.00 0.69 C ATOM 1474 O LEU A 98 -3.740 -2.789 -5.474 1.00 0.69 O ATOM 1475 CB LEU A 98 -3.952 -3.986 -2.712 1.00 0.75 C ATOM 1476 CG LEU A 98 -2.667 -3.623 -1.964 1.00 0.88 C ATOM 1477 CD1 LEU A 98 -2.515 -4.464 -0.695 1.00 1.23 C ATOM 1478 CD2 LEU A 98 -1.447 -3.740 -2.880 1.00 1.71 C ATOM 0 H LEU A 98 -6.098 -4.110 -4.228 1.00 0.59 H new ATOM 0 HA LEU A 98 -4.803 -2.074 -2.496 1.00 0.68 H new ATOM 0 HB2 LEU A 98 -4.602 -4.535 -2.031 1.00 0.75 H new ATOM 0 HB3 LEU A 98 -3.696 -4.665 -3.525 1.00 0.75 H new ATOM 0 HG LEU A 98 -2.736 -2.581 -1.653 1.00 0.88 H new ATOM 0 HD11 LEU A 98 -1.594 -4.186 -0.183 1.00 1.23 H new ATOM 0 HD12 LEU A 98 -3.365 -4.285 -0.036 1.00 1.23 H new ATOM 0 HD13 LEU A 98 -2.478 -5.520 -0.961 1.00 1.23 H new ATOM 0 HD21 LEU A 98 -0.548 -3.477 -2.323 1.00 1.71 H new ATOM 0 HD22 LEU A 98 -1.362 -4.764 -3.244 1.00 1.71 H new ATOM 0 HD23 LEU A 98 -1.561 -3.063 -3.726 1.00 1.71 H new ATOM 1490 N SER A 99 -3.846 -0.836 -4.340 1.00 0.85 N ATOM 1491 CA SER A 99 -3.260 -0.052 -5.414 1.00 0.91 C ATOM 1492 C SER A 99 -1.974 0.622 -4.930 1.00 1.00 C ATOM 1493 O SER A 99 -1.809 0.867 -3.736 1.00 1.12 O ATOM 1494 CB SER A 99 -4.248 0.998 -5.929 1.00 0.91 C ATOM 1495 OG SER A 99 -5.425 0.404 -6.469 1.00 2.07 O ATOM 0 H SER A 99 -4.070 -0.306 -3.498 1.00 0.85 H new ATOM 0 HA SER A 99 -3.021 -0.724 -6.238 1.00 0.91 H new ATOM 0 HB2 SER A 99 -4.521 1.669 -5.114 1.00 0.91 H new ATOM 0 HB3 SER A 99 -3.765 1.606 -6.694 1.00 0.91 H new ATOM 0 HG SER A 99 -6.074 1.105 -6.689 1.00 2.07 H new ATOM 1501 N MET A 100 -1.097 0.900 -5.882 1.00 1.06 N ATOM 1502 CA MET A 100 0.191 1.494 -5.562 1.00 1.18 C ATOM 1503 C MET A 100 0.273 2.934 -6.072 1.00 1.02 C ATOM 1504 O MET A 100 -0.089 3.213 -7.214 1.00 1.16 O ATOM 1505 CB MET A 100 1.308 0.663 -6.196 1.00 1.51 C ATOM 1506 CG MET A 100 1.546 -0.628 -5.409 1.00 2.07 C ATOM 1507 SD MET A 100 2.869 -1.564 -6.157 1.00 2.20 S ATOM 1508 CE MET A 100 4.228 -0.436 -5.902 1.00 1.50 C ATOM 0 H MET A 100 -1.252 0.725 -6.875 1.00 1.06 H new ATOM 0 HA MET A 100 0.305 1.506 -4.478 1.00 1.18 H new ATOM 0 HB2 MET A 100 1.047 0.422 -7.226 1.00 1.51 H new ATOM 0 HB3 MET A 100 2.227 1.248 -6.229 1.00 1.51 H new ATOM 0 HG2 MET A 100 1.796 -0.392 -4.375 1.00 2.07 H new ATOM 0 HG3 MET A 100 0.634 -1.224 -5.388 1.00 2.07 H new ATOM 0 HE1 MET A 100 5.166 -0.990 -5.905 1.00 1.50 H new ATOM 0 HE2 MET A 100 4.242 0.304 -6.702 1.00 1.50 H new ATOM 0 HE3 MET A 100 4.107 0.068 -4.943 1.00 1.50 H new ATOM 1518 N ALA A 101 0.751 3.810 -5.201 1.00 1.15 N ATOM 1519 CA ALA A 101 0.932 5.205 -5.565 1.00 1.02 C ATOM 1520 C ALA A 101 2.213 5.351 -6.386 1.00 1.13 C ATOM 1521 O ALA A 101 3.087 4.487 -6.340 1.00 1.80 O ATOM 1522 CB ALA A 101 0.948 6.065 -4.300 1.00 1.02 C ATOM 0 H ALA A 101 1.019 3.581 -4.244 1.00 1.15 H new ATOM 0 HA ALA A 101 0.104 5.551 -6.183 1.00 1.02 H new ATOM 0 HB1 ALA A 101 1.084 7.111 -4.573 1.00 1.02 H new ATOM 0 HB2 ALA A 101 0.003 5.948 -3.769 1.00 1.02 H new ATOM 0 HB3 ALA A 101 1.768 5.749 -3.655 1.00 1.02 H new ATOM 1528 N ASN A 102 2.288 6.453 -7.119 1.00 1.04 N ATOM 1529 CA ASN A 102 3.396 6.672 -8.032 1.00 1.08 C ATOM 1530 C ASN A 102 3.399 8.135 -8.482 1.00 1.02 C ATOM 1531 O ASN A 102 2.360 8.675 -8.858 1.00 0.97 O ATOM 1532 CB ASN A 102 3.263 5.795 -9.279 1.00 1.20 C ATOM 1533 CG ASN A 102 1.813 5.349 -9.485 1.00 1.97 C ATOM 1534 OD1 ASN A 102 0.970 6.092 -9.959 1.00 2.78 O ATOM 1535 ND2 ASN A 102 1.573 4.099 -9.100 1.00 2.92 N ATOM 0 H ASN A 102 1.598 7.204 -7.098 1.00 1.04 H new ATOM 0 HA ASN A 102 4.319 6.420 -7.509 1.00 1.08 H new ATOM 0 HB2 ASN A 102 3.605 6.347 -10.154 1.00 1.20 H new ATOM 0 HB3 ASN A 102 3.906 4.920 -9.183 1.00 1.20 H new ATOM 0 HD21 ASN A 102 0.636 3.707 -9.194 1.00 2.92 H new ATOM 0 HD22 ASN A 102 2.326 3.532 -8.711 1.00 2.92 H new ATOM 1542 N ALA A 103 4.580 8.733 -8.430 1.00 1.17 N ATOM 1543 CA ALA A 103 4.742 10.107 -8.875 1.00 1.13 C ATOM 1544 C ALA A 103 5.185 10.115 -10.340 1.00 1.14 C ATOM 1545 O ALA A 103 6.227 10.678 -10.674 1.00 1.48 O ATOM 1546 CB ALA A 103 5.737 10.826 -7.961 1.00 1.21 C ATOM 0 H ALA A 103 5.433 8.292 -8.087 1.00 1.17 H new ATOM 0 HA ALA A 103 3.796 10.645 -8.814 1.00 1.13 H new ATOM 0 HB1 ALA A 103 5.859 11.857 -8.295 1.00 1.21 H new ATOM 0 HB2 ALA A 103 5.362 10.818 -6.937 1.00 1.21 H new ATOM 0 HB3 ALA A 103 6.700 10.316 -7.999 1.00 1.21 H new ATOM 1552 N GLY A 104 4.374 9.482 -11.173 1.00 1.07 N ATOM 1553 CA GLY A 104 4.670 9.406 -12.594 1.00 1.13 C ATOM 1554 C GLY A 104 4.964 7.965 -13.016 1.00 1.16 C ATOM 1555 O GLY A 104 4.941 7.055 -12.190 1.00 1.19 O ATOM 0 H GLY A 104 3.511 9.016 -10.892 1.00 1.07 H new ATOM 0 HA2 GLY A 104 3.826 9.791 -13.166 1.00 1.13 H new ATOM 0 HA3 GLY A 104 5.527 10.039 -12.825 1.00 1.13 H new ATOM 1559 N PRO A 105 5.243 7.798 -14.337 1.00 1.25 N ATOM 1560 CA PRO A 105 5.494 6.478 -14.889 1.00 1.35 C ATOM 1561 C PRO A 105 6.885 5.975 -14.497 1.00 1.21 C ATOM 1562 O PRO A 105 7.840 6.749 -14.457 1.00 1.20 O ATOM 1563 CB PRO A 105 5.321 6.640 -16.391 1.00 1.60 C ATOM 1564 CG PRO A 105 5.439 8.130 -16.665 1.00 1.60 C ATOM 1565 CD PRO A 105 5.325 8.860 -15.337 1.00 1.37 C ATOM 0 HA PRO A 105 4.809 5.723 -14.502 1.00 1.35 H new ATOM 0 HB2 PRO A 105 6.083 6.081 -16.935 1.00 1.60 H new ATOM 0 HB3 PRO A 105 4.353 6.258 -16.716 1.00 1.60 H new ATOM 0 HG2 PRO A 105 6.392 8.356 -17.144 1.00 1.60 H new ATOM 0 HG3 PRO A 105 4.654 8.456 -17.348 1.00 1.60 H new ATOM 0 HD2 PRO A 105 6.188 9.502 -15.163 1.00 1.37 H new ATOM 0 HD3 PRO A 105 4.442 9.498 -15.310 1.00 1.37 H new ATOM 1573 N ASN A 106 6.955 4.682 -14.218 1.00 1.19 N ATOM 1574 CA ASN A 106 8.228 4.048 -13.921 1.00 1.15 C ATOM 1575 C ASN A 106 8.929 4.823 -12.803 1.00 1.06 C ATOM 1576 O ASN A 106 10.155 4.922 -12.787 1.00 1.10 O ATOM 1577 CB ASN A 106 9.145 4.052 -15.145 1.00 1.25 C ATOM 1578 CG ASN A 106 8.512 3.279 -16.305 1.00 2.29 C ATOM 1579 OD1 ASN A 106 7.747 2.348 -16.120 1.00 3.25 O ATOM 1580 ND2 ASN A 106 8.876 3.715 -17.508 1.00 2.92 N ATOM 0 H ASN A 106 6.150 4.056 -14.191 1.00 1.19 H new ATOM 0 HA ASN A 106 8.030 3.018 -13.622 1.00 1.15 H new ATOM 0 HB2 ASN A 106 9.343 5.079 -15.452 1.00 1.25 H new ATOM 0 HB3 ASN A 106 10.105 3.606 -14.886 1.00 1.25 H new ATOM 0 HD21 ASN A 106 8.510 3.264 -18.346 1.00 2.92 H new ATOM 0 HD22 ASN A 106 9.521 4.501 -17.592 1.00 2.92 H new ATOM 1587 N THR A 107 8.122 5.353 -11.897 1.00 1.05 N ATOM 1588 CA THR A 107 8.651 6.076 -10.753 1.00 1.09 C ATOM 1589 C THR A 107 8.142 5.459 -9.450 1.00 1.22 C ATOM 1590 O THR A 107 8.425 5.966 -8.365 1.00 1.80 O ATOM 1591 CB THR A 107 8.282 7.552 -10.913 1.00 1.10 C ATOM 1592 OG1 THR A 107 9.405 8.122 -11.578 1.00 2.52 O ATOM 1593 CG2 THR A 107 8.226 8.290 -9.574 1.00 1.89 C ATOM 0 H THR A 107 7.104 5.296 -11.932 1.00 1.05 H new ATOM 0 HA THR A 107 9.738 6.002 -10.707 1.00 1.09 H new ATOM 0 HB THR A 107 7.316 7.632 -11.412 1.00 1.10 H new ATOM 0 HG1 THR A 107 9.248 9.078 -11.723 1.00 2.52 H new ATOM 0 HG21 THR A 107 7.960 9.333 -9.744 1.00 1.89 H new ATOM 0 HG22 THR A 107 7.477 7.825 -8.933 1.00 1.89 H new ATOM 0 HG23 THR A 107 9.201 8.239 -9.089 1.00 1.89 H new ATOM 1601 N ASN A 108 7.397 4.373 -9.598 1.00 1.13 N ATOM 1602 CA ASN A 108 6.742 3.754 -8.458 1.00 1.31 C ATOM 1603 C ASN A 108 7.793 3.381 -7.411 1.00 1.44 C ATOM 1604 O ASN A 108 8.856 2.864 -7.749 1.00 1.72 O ATOM 1605 CB ASN A 108 6.012 2.474 -8.872 1.00 1.58 C ATOM 1606 CG ASN A 108 6.906 1.591 -9.745 1.00 2.67 C ATOM 1607 OD1 ASN A 108 7.797 0.904 -9.272 1.00 3.98 O ATOM 1608 ND2 ASN A 108 6.619 1.647 -11.042 1.00 3.48 N ATOM 0 H ASN A 108 7.233 3.906 -10.490 1.00 1.13 H new ATOM 0 HA ASN A 108 6.022 4.466 -8.055 1.00 1.31 H new ATOM 0 HB2 ASN A 108 5.706 1.922 -7.983 1.00 1.58 H new ATOM 0 HB3 ASN A 108 5.103 2.729 -9.417 1.00 1.58 H new ATOM 0 HD21 ASN A 108 7.158 1.094 -11.708 1.00 3.48 H new ATOM 0 HD22 ASN A 108 5.860 2.243 -11.371 1.00 3.48 H new ATOM 1615 N GLY A 109 7.459 3.660 -6.159 1.00 1.61 N ATOM 1616 CA GLY A 109 8.362 3.366 -5.060 1.00 1.98 C ATOM 1617 C GLY A 109 7.998 2.038 -4.392 1.00 1.43 C ATOM 1618 O GLY A 109 8.777 1.088 -4.427 1.00 2.10 O ATOM 0 H GLY A 109 6.575 4.087 -5.882 1.00 1.61 H new ATOM 0 HA2 GLY A 109 9.387 3.323 -5.428 1.00 1.98 H new ATOM 0 HA3 GLY A 109 8.321 4.170 -4.325 1.00 1.98 H new ATOM 1622 N SER A 110 6.814 2.017 -3.799 1.00 1.39 N ATOM 1623 CA SER A 110 6.364 0.844 -3.067 1.00 1.33 C ATOM 1624 C SER A 110 5.072 1.162 -2.312 1.00 1.43 C ATOM 1625 O SER A 110 4.198 0.306 -2.182 1.00 2.33 O ATOM 1626 CB SER A 110 7.441 0.356 -2.095 1.00 1.65 C ATOM 1627 OG SER A 110 6.882 -0.339 -0.984 1.00 3.24 O ATOM 0 H SER A 110 6.152 2.793 -3.810 1.00 1.39 H new ATOM 0 HA SER A 110 6.171 0.046 -3.784 1.00 1.33 H new ATOM 0 HB2 SER A 110 8.134 -0.300 -2.622 1.00 1.65 H new ATOM 0 HB3 SER A 110 8.019 1.208 -1.736 1.00 1.65 H new ATOM 0 HG SER A 110 7.446 -0.201 -0.195 1.00 3.24 H new ATOM 1633 N GLN A 111 4.993 2.395 -1.833 1.00 1.28 N ATOM 1634 CA GLN A 111 3.814 2.843 -1.110 1.00 1.45 C ATOM 1635 C GLN A 111 2.554 2.211 -1.707 1.00 1.41 C ATOM 1636 O GLN A 111 2.295 2.345 -2.903 1.00 1.78 O ATOM 1637 CB GLN A 111 3.716 4.370 -1.112 1.00 1.71 C ATOM 1638 CG GLN A 111 4.766 4.987 -0.189 1.00 2.74 C ATOM 1639 CD GLN A 111 5.968 5.496 -0.987 1.00 2.97 C ATOM 1640 OE1 GLN A 111 6.520 4.809 -1.832 1.00 3.43 O ATOM 1641 NE2 GLN A 111 6.342 6.733 -0.674 1.00 3.94 N ATOM 0 H GLN A 111 5.726 3.098 -1.931 1.00 1.28 H new ATOM 0 HA GLN A 111 3.903 2.520 -0.073 1.00 1.45 H new ATOM 0 HB2 GLN A 111 3.852 4.745 -2.126 1.00 1.71 H new ATOM 0 HB3 GLN A 111 2.720 4.675 -0.791 1.00 1.71 H new ATOM 0 HG2 GLN A 111 4.323 5.810 0.372 1.00 2.74 H new ATOM 0 HG3 GLN A 111 5.096 4.246 0.539 1.00 2.74 H new ATOM 0 HE21 GLN A 111 5.836 7.253 0.043 1.00 3.94 H new ATOM 0 HE22 GLN A 111 7.135 7.162 -1.151 1.00 3.94 H new ATOM 1650 N PHE A 112 1.804 1.537 -0.848 1.00 1.34 N ATOM 1651 CA PHE A 112 0.497 1.032 -1.232 1.00 1.35 C ATOM 1652 C PHE A 112 -0.602 1.630 -0.351 1.00 1.48 C ATOM 1653 O PHE A 112 -0.407 1.820 0.848 1.00 1.96 O ATOM 1654 CB PHE A 112 0.527 -0.485 -1.030 1.00 1.35 C ATOM 1655 CG PHE A 112 1.404 -0.940 0.138 1.00 1.50 C ATOM 1656 CD1 PHE A 112 0.954 -0.815 1.415 1.00 2.52 C ATOM 1657 CD2 PHE A 112 2.634 -1.470 -0.101 1.00 2.02 C ATOM 1658 CE1 PHE A 112 1.768 -1.238 2.499 1.00 2.82 C ATOM 1659 CE2 PHE A 112 3.447 -1.893 0.983 1.00 2.50 C ATOM 1660 CZ PHE A 112 2.998 -1.768 2.260 1.00 2.43 C ATOM 0 H PHE A 112 2.076 1.329 0.113 1.00 1.34 H new ATOM 0 HA PHE A 112 0.283 1.301 -2.266 1.00 1.35 H new ATOM 0 HB2 PHE A 112 -0.491 -0.840 -0.867 1.00 1.35 H new ATOM 0 HB3 PHE A 112 0.886 -0.956 -1.945 1.00 1.35 H new ATOM 0 HD1 PHE A 112 -0.022 -0.394 1.605 1.00 2.52 H new ATOM 0 HD2 PHE A 112 2.992 -1.569 -1.115 1.00 2.02 H new ATOM 0 HE1 PHE A 112 1.411 -1.139 3.513 1.00 2.82 H new ATOM 0 HE2 PHE A 112 4.423 -2.314 0.793 1.00 2.50 H new ATOM 0 HZ PHE A 112 3.617 -2.089 3.084 1.00 2.43 H new ATOM 1670 N PHE A 113 -1.734 1.909 -0.980 1.00 1.27 N ATOM 1671 CA PHE A 113 -2.812 2.610 -0.305 1.00 1.41 C ATOM 1672 C PHE A 113 -4.162 1.954 -0.601 1.00 1.32 C ATOM 1673 O PHE A 113 -4.750 2.185 -1.657 1.00 1.88 O ATOM 1674 CB PHE A 113 -2.825 4.042 -0.845 1.00 1.74 C ATOM 1675 CG PHE A 113 -3.235 4.148 -2.315 1.00 1.68 C ATOM 1676 CD1 PHE A 113 -2.362 3.784 -3.293 1.00 2.92 C ATOM 1677 CD2 PHE A 113 -4.472 4.608 -2.644 1.00 3.08 C ATOM 1678 CE1 PHE A 113 -2.743 3.883 -4.657 1.00 4.41 C ATOM 1679 CE2 PHE A 113 -4.853 4.706 -4.008 1.00 4.42 C ATOM 1680 CZ PHE A 113 -3.980 4.343 -4.986 1.00 4.84 C ATOM 0 H PHE A 113 -1.928 1.662 -1.950 1.00 1.27 H new ATOM 0 HA PHE A 113 -2.653 2.584 0.773 1.00 1.41 H new ATOM 0 HB2 PHE A 113 -3.509 4.640 -0.243 1.00 1.74 H new ATOM 0 HB3 PHE A 113 -1.832 4.475 -0.723 1.00 1.74 H new ATOM 0 HD1 PHE A 113 -1.379 3.420 -3.032 1.00 2.92 H new ATOM 0 HD2 PHE A 113 -5.164 4.899 -1.868 1.00 3.08 H new ATOM 0 HE1 PHE A 113 -2.051 3.593 -5.433 1.00 4.41 H new ATOM 0 HE2 PHE A 113 -5.836 5.069 -4.269 1.00 4.42 H new ATOM 0 HZ PHE A 113 -4.269 4.420 -6.024 1.00 4.84 H new ATOM 1690 N ILE A 114 -4.615 1.149 0.349 1.00 1.24 N ATOM 1691 CA ILE A 114 -5.846 0.398 0.170 1.00 1.06 C ATOM 1692 C ILE A 114 -6.937 1.332 -0.357 1.00 0.84 C ATOM 1693 O ILE A 114 -7.166 2.402 0.205 1.00 1.07 O ATOM 1694 CB ILE A 114 -6.226 -0.323 1.465 1.00 1.22 C ATOM 1695 CG1 ILE A 114 -5.093 -1.236 1.938 1.00 1.49 C ATOM 1696 CG2 ILE A 114 -7.544 -1.084 1.302 1.00 1.20 C ATOM 1697 CD1 ILE A 114 -4.892 -1.123 3.450 1.00 1.62 C ATOM 0 H ILE A 114 -4.151 1.000 1.245 1.00 1.24 H new ATOM 0 HA ILE A 114 -5.710 -0.385 -0.576 1.00 1.06 H new ATOM 0 HB ILE A 114 -6.380 0.427 2.241 1.00 1.22 H new ATOM 0 HG12 ILE A 114 -5.320 -2.269 1.674 1.00 1.49 H new ATOM 0 HG13 ILE A 114 -4.169 -0.971 1.424 1.00 1.49 H new ATOM 0 HG21 ILE A 114 -7.791 -1.588 2.237 1.00 1.20 H new ATOM 0 HG22 ILE A 114 -8.339 -0.384 1.046 1.00 1.20 H new ATOM 0 HG23 ILE A 114 -7.441 -1.823 0.508 1.00 1.20 H new ATOM 0 HD11 ILE A 114 -4.081 -1.782 3.759 1.00 1.62 H new ATOM 0 HD12 ILE A 114 -4.642 -0.094 3.708 1.00 1.62 H new ATOM 0 HD13 ILE A 114 -5.810 -1.412 3.962 1.00 1.62 H new ATOM 1709 N CYS A 115 -7.580 0.894 -1.429 1.00 0.72 N ATOM 1710 CA CYS A 115 -8.731 1.607 -1.953 1.00 0.61 C ATOM 1711 C CYS A 115 -9.993 1.014 -1.322 1.00 0.60 C ATOM 1712 O CYS A 115 -10.271 -0.173 -1.478 1.00 0.77 O ATOM 1713 CB CYS A 115 -8.780 1.554 -3.482 1.00 0.65 C ATOM 1714 SG CYS A 115 -7.394 2.520 -4.186 1.00 1.61 S ATOM 0 H CYS A 115 -7.325 0.054 -1.949 1.00 0.72 H new ATOM 0 HA CYS A 115 -8.657 2.663 -1.692 1.00 0.61 H new ATOM 0 HB2 CYS A 115 -8.722 0.519 -3.820 1.00 0.65 H new ATOM 0 HB3 CYS A 115 -9.730 1.953 -3.838 1.00 0.65 H new ATOM 0 HG CYS A 115 -6.837 3.227 -3.248 1.00 1.61 H new ATOM 1720 N THR A 116 -10.723 1.870 -0.621 1.00 0.58 N ATOM 1721 CA THR A 116 -11.939 1.443 0.049 1.00 0.67 C ATOM 1722 C THR A 116 -13.164 2.073 -0.615 1.00 0.62 C ATOM 1723 O THR A 116 -14.127 2.431 0.062 1.00 0.70 O ATOM 1724 CB THR A 116 -11.807 1.789 1.534 1.00 0.86 C ATOM 1725 OG1 THR A 116 -10.563 1.209 1.917 1.00 1.52 O ATOM 1726 CG2 THR A 116 -12.839 1.063 2.399 1.00 1.61 C ATOM 0 H THR A 116 -10.495 2.857 -0.503 1.00 0.58 H new ATOM 0 HA THR A 116 -12.080 0.366 -0.037 1.00 0.67 H new ATOM 0 HB THR A 116 -11.916 2.865 1.666 1.00 0.86 H new ATOM 0 HG1 THR A 116 -10.113 1.796 2.560 1.00 1.52 H new ATOM 0 HG21 THR A 116 -12.701 1.344 3.443 1.00 1.61 H new ATOM 0 HG22 THR A 116 -13.843 1.341 2.078 1.00 1.61 H new ATOM 0 HG23 THR A 116 -12.709 -0.014 2.293 1.00 1.61 H new ATOM 1734 N ALA A 117 -13.088 2.190 -1.933 1.00 0.59 N ATOM 1735 CA ALA A 117 -14.200 2.723 -2.702 1.00 0.62 C ATOM 1736 C ALA A 117 -13.905 2.561 -4.195 1.00 0.67 C ATOM 1737 O ALA A 117 -12.799 2.181 -4.575 1.00 0.67 O ATOM 1738 CB ALA A 117 -14.441 4.182 -2.310 1.00 0.70 C ATOM 0 H ALA A 117 -12.274 1.925 -2.488 1.00 0.59 H new ATOM 0 HA ALA A 117 -15.115 2.173 -2.485 1.00 0.62 H new ATOM 0 HB1 ALA A 117 -15.275 4.581 -2.887 1.00 0.70 H new ATOM 0 HB2 ALA A 117 -14.675 4.239 -1.247 1.00 0.70 H new ATOM 0 HB3 ALA A 117 -13.545 4.767 -2.516 1.00 0.70 H new ATOM 1744 N LYS A 118 -14.915 2.858 -4.999 1.00 0.79 N ATOM 1745 CA LYS A 118 -14.787 2.726 -6.441 1.00 0.92 C ATOM 1746 C LYS A 118 -14.212 4.021 -7.019 1.00 0.92 C ATOM 1747 O LYS A 118 -14.959 4.912 -7.418 1.00 1.56 O ATOM 1748 CB LYS A 118 -16.123 2.315 -7.063 1.00 1.35 C ATOM 1749 CG LYS A 118 -15.907 1.540 -8.364 1.00 1.95 C ATOM 1750 CD LYS A 118 -17.180 1.532 -9.214 1.00 1.96 C ATOM 1751 CE LYS A 118 -17.248 2.767 -10.114 1.00 1.98 C ATOM 1752 NZ LYS A 118 -18.575 2.865 -10.761 1.00 3.33 N ATOM 0 H LYS A 118 -15.825 3.189 -4.680 1.00 0.79 H new ATOM 0 HA LYS A 118 -14.088 1.928 -6.689 1.00 0.92 H new ATOM 0 HB2 LYS A 118 -16.683 1.700 -6.358 1.00 1.35 H new ATOM 0 HB3 LYS A 118 -16.725 3.202 -7.260 1.00 1.35 H new ATOM 0 HG2 LYS A 118 -15.091 1.990 -8.929 1.00 1.95 H new ATOM 0 HG3 LYS A 118 -15.610 0.516 -8.137 1.00 1.95 H new ATOM 0 HD2 LYS A 118 -17.207 0.630 -9.826 1.00 1.96 H new ATOM 0 HD3 LYS A 118 -18.055 1.503 -8.564 1.00 1.96 H new ATOM 0 HE2 LYS A 118 -17.057 3.664 -9.525 1.00 1.98 H new ATOM 0 HE3 LYS A 118 -16.469 2.713 -10.875 1.00 1.98 H new ATOM 0 HZ1 LYS A 118 -18.592 3.690 -11.394 1.00 3.33 H new ATOM 0 HZ2 LYS A 118 -18.757 2.002 -11.312 1.00 3.33 H new ATOM 0 HZ3 LYS A 118 -19.309 2.973 -10.032 1.00 3.33 H new ATOM 1766 N THR A 119 -12.889 4.083 -7.045 1.00 0.56 N ATOM 1767 CA THR A 119 -12.205 5.272 -7.526 1.00 0.66 C ATOM 1768 C THR A 119 -11.952 5.169 -9.031 1.00 0.70 C ATOM 1769 O THR A 119 -10.981 4.549 -9.461 1.00 0.78 O ATOM 1770 CB THR A 119 -10.926 5.447 -6.705 1.00 0.78 C ATOM 1771 OG1 THR A 119 -10.217 4.227 -6.904 1.00 0.88 O ATOM 1772 CG2 THR A 119 -11.197 5.480 -5.200 1.00 0.78 C ATOM 0 H THR A 119 -12.272 3.330 -6.741 1.00 0.56 H new ATOM 0 HA THR A 119 -12.818 6.163 -7.392 1.00 0.66 H new ATOM 0 HB THR A 119 -10.425 6.368 -7.004 1.00 0.78 H new ATOM 0 HG1 THR A 119 -10.159 4.035 -7.863 1.00 0.88 H new ATOM 0 HG21 THR A 119 -10.256 5.606 -4.664 1.00 0.78 H new ATOM 0 HG22 THR A 119 -11.861 6.313 -4.968 1.00 0.78 H new ATOM 0 HG23 THR A 119 -11.667 4.545 -4.894 1.00 0.78 H new ATOM 1780 N GLU A 120 -12.844 5.788 -9.793 1.00 0.77 N ATOM 1781 CA GLU A 120 -12.788 5.687 -11.241 1.00 0.91 C ATOM 1782 C GLU A 120 -11.642 6.540 -11.789 1.00 0.74 C ATOM 1783 O GLU A 120 -11.108 6.254 -12.859 1.00 0.77 O ATOM 1784 CB GLU A 120 -14.123 6.094 -11.870 1.00 1.34 C ATOM 1785 CG GLU A 120 -15.212 5.067 -11.556 1.00 1.91 C ATOM 1786 CD GLU A 120 -16.520 5.420 -12.270 1.00 2.12 C ATOM 1787 OE1 GLU A 120 -16.425 5.987 -13.379 1.00 2.72 O ATOM 1788 OE2 GLU A 120 -17.583 5.112 -11.689 1.00 2.96 O ATOM 0 H GLU A 120 -13.608 6.360 -9.434 1.00 0.77 H new ATOM 0 HA GLU A 120 -12.600 4.647 -11.506 1.00 0.91 H new ATOM 0 HB2 GLU A 120 -14.422 7.073 -11.495 1.00 1.34 H new ATOM 0 HB3 GLU A 120 -14.007 6.188 -12.950 1.00 1.34 H new ATOM 0 HG2 GLU A 120 -14.881 4.075 -11.864 1.00 1.91 H new ATOM 0 HG3 GLU A 120 -15.380 5.027 -10.480 1.00 1.91 H new ATOM 1795 N TRP A 121 -11.296 7.569 -11.030 1.00 0.76 N ATOM 1796 CA TRP A 121 -10.346 8.562 -11.501 1.00 0.81 C ATOM 1797 C TRP A 121 -8.938 8.055 -11.188 1.00 0.79 C ATOM 1798 O TRP A 121 -7.950 8.704 -11.527 1.00 0.91 O ATOM 1799 CB TRP A 121 -10.637 9.933 -10.890 1.00 0.88 C ATOM 1800 CG TRP A 121 -10.193 10.072 -9.432 1.00 0.82 C ATOM 1801 CD1 TRP A 121 -9.006 10.483 -8.968 1.00 0.84 C ATOM 1802 CD2 TRP A 121 -10.985 9.781 -8.261 1.00 0.79 C ATOM 1803 NE1 TRP A 121 -8.973 10.478 -7.588 1.00 0.82 N ATOM 1804 CE2 TRP A 121 -10.215 10.038 -7.145 1.00 0.78 C ATOM 1805 CE3 TRP A 121 -12.307 9.317 -8.149 1.00 0.81 C ATOM 1806 CZ2 TRP A 121 -10.680 9.859 -5.836 1.00 0.80 C ATOM 1807 CZ3 TRP A 121 -12.757 9.143 -6.834 1.00 0.82 C ATOM 1808 CH2 TRP A 121 -11.995 9.397 -5.699 1.00 0.81 C ATOM 0 H TRP A 121 -11.657 7.737 -10.091 1.00 0.76 H new ATOM 0 HA TRP A 121 -10.435 8.699 -12.579 1.00 0.81 H new ATOM 0 HB2 TRP A 121 -10.138 10.698 -11.485 1.00 0.88 H new ATOM 0 HB3 TRP A 121 -11.708 10.128 -10.953 1.00 0.88 H new ATOM 0 HD1 TRP A 121 -8.178 10.781 -9.595 1.00 0.84 H new ATOM 0 HE1 TRP A 121 -8.183 10.747 -7.002 1.00 0.82 H new ATOM 0 HE3 TRP A 121 -12.927 9.111 -9.009 1.00 0.81 H new ATOM 0 HZ2 TRP A 121 -10.058 10.066 -4.978 1.00 0.80 H new ATOM 0 HZ3 TRP A 121 -13.767 8.787 -6.692 1.00 0.82 H new ATOM 0 HH2 TRP A 121 -12.415 9.239 -4.717 1.00 0.81 H new ATOM 1819 N LEU A 122 -8.889 6.897 -10.544 1.00 0.73 N ATOM 1820 CA LEU A 122 -7.620 6.252 -10.259 1.00 0.81 C ATOM 1821 C LEU A 122 -7.535 4.937 -11.035 1.00 0.90 C ATOM 1822 O LEU A 122 -6.595 4.164 -10.854 1.00 1.20 O ATOM 1823 CB LEU A 122 -7.429 6.088 -8.750 1.00 0.86 C ATOM 1824 CG LEU A 122 -7.530 7.369 -7.918 1.00 0.84 C ATOM 1825 CD1 LEU A 122 -7.444 7.060 -6.422 1.00 0.91 C ATOM 1826 CD2 LEU A 122 -6.475 8.388 -8.353 1.00 0.86 C ATOM 0 H LEU A 122 -9.709 6.390 -10.212 1.00 0.73 H new ATOM 0 HA LEU A 122 -6.792 6.876 -10.596 1.00 0.81 H new ATOM 0 HB2 LEU A 122 -8.174 5.381 -8.384 1.00 0.86 H new ATOM 0 HB3 LEU A 122 -6.451 5.640 -8.574 1.00 0.86 H new ATOM 0 HG LEU A 122 -8.507 7.818 -8.098 1.00 0.84 H new ATOM 0 HD11 LEU A 122 -7.518 7.987 -5.854 1.00 0.91 H new ATOM 0 HD12 LEU A 122 -8.261 6.395 -6.140 1.00 0.91 H new ATOM 0 HD13 LEU A 122 -6.492 6.577 -6.204 1.00 0.91 H new ATOM 0 HD21 LEU A 122 -6.568 9.289 -7.747 1.00 0.86 H new ATOM 0 HD22 LEU A 122 -5.481 7.962 -8.220 1.00 0.86 H new ATOM 0 HD23 LEU A 122 -6.624 8.640 -9.403 1.00 0.86 H new ATOM 1838 N ASP A 123 -8.530 4.722 -11.884 1.00 0.77 N ATOM 1839 CA ASP A 123 -8.652 3.457 -12.589 1.00 0.89 C ATOM 1840 C ASP A 123 -7.529 3.345 -13.623 1.00 1.02 C ATOM 1841 O ASP A 123 -6.936 2.279 -13.785 1.00 2.10 O ATOM 1842 CB ASP A 123 -9.988 3.367 -13.331 1.00 0.89 C ATOM 1843 CG ASP A 123 -10.291 2.003 -13.953 1.00 1.08 C ATOM 1844 OD1 ASP A 123 -10.399 1.034 -13.170 1.00 1.91 O ATOM 1845 OD2 ASP A 123 -10.410 1.960 -15.196 1.00 1.87 O ATOM 0 H ASP A 123 -9.259 5.402 -12.099 1.00 0.77 H new ATOM 0 HA ASP A 123 -8.592 2.654 -11.855 1.00 0.89 H new ATOM 0 HB2 ASP A 123 -10.790 3.619 -12.637 1.00 0.89 H new ATOM 0 HB3 ASP A 123 -10.000 4.120 -14.119 1.00 0.89 H new ATOM 1850 N GLY A 124 -7.273 4.457 -14.296 1.00 1.53 N ATOM 1851 CA GLY A 124 -6.277 4.480 -15.353 1.00 1.60 C ATOM 1852 C GLY A 124 -5.118 5.412 -14.995 1.00 1.72 C ATOM 1853 O GLY A 124 -4.819 6.348 -15.734 1.00 2.41 O ATOM 0 H GLY A 124 -7.739 5.349 -14.130 1.00 1.53 H new ATOM 0 HA2 GLY A 124 -5.898 3.472 -15.523 1.00 1.60 H new ATOM 0 HA3 GLY A 124 -6.738 4.808 -16.285 1.00 1.60 H new ATOM 1857 N LYS A 125 -4.497 5.123 -13.861 1.00 1.30 N ATOM 1858 CA LYS A 125 -3.454 5.989 -13.337 1.00 1.42 C ATOM 1859 C LYS A 125 -2.517 5.170 -12.447 1.00 1.28 C ATOM 1860 O LYS A 125 -1.306 5.156 -12.663 1.00 1.37 O ATOM 1861 CB LYS A 125 -4.067 7.202 -12.634 1.00 1.56 C ATOM 1862 CG LYS A 125 -2.988 8.222 -12.262 1.00 2.67 C ATOM 1863 CD LYS A 125 -3.583 9.375 -11.450 1.00 3.94 C ATOM 1864 CE LYS A 125 -4.460 10.269 -12.329 1.00 4.22 C ATOM 1865 NZ LYS A 125 -5.855 10.275 -11.832 1.00 5.68 N ATOM 0 H LYS A 125 -4.696 4.301 -13.290 1.00 1.30 H new ATOM 0 HA LYS A 125 -2.850 6.393 -14.150 1.00 1.42 H new ATOM 0 HB2 LYS A 125 -4.806 7.669 -13.285 1.00 1.56 H new ATOM 0 HB3 LYS A 125 -4.593 6.879 -11.735 1.00 1.56 H new ATOM 0 HG2 LYS A 125 -2.203 7.733 -11.685 1.00 2.67 H new ATOM 0 HG3 LYS A 125 -2.523 8.612 -13.167 1.00 2.67 H new ATOM 0 HD2 LYS A 125 -4.175 8.977 -10.626 1.00 3.94 H new ATOM 0 HD3 LYS A 125 -2.780 9.967 -11.010 1.00 3.94 H new ATOM 0 HE2 LYS A 125 -4.065 11.285 -12.334 1.00 4.22 H new ATOM 0 HE3 LYS A 125 -4.436 9.913 -13.359 1.00 4.22 H new ATOM 0 HZ1 LYS A 125 -6.389 11.033 -12.304 1.00 5.68 H new ATOM 0 HZ2 LYS A 125 -6.301 9.358 -12.037 1.00 5.68 H new ATOM 0 HZ3 LYS A 125 -5.857 10.439 -10.805 1.00 5.68 H new ATOM 1879 N HIS A 126 -3.112 4.508 -11.466 1.00 1.18 N ATOM 1880 CA HIS A 126 -2.336 3.811 -10.455 1.00 1.11 C ATOM 1881 C HIS A 126 -2.260 2.323 -10.805 1.00 1.08 C ATOM 1882 O HIS A 126 -2.999 1.844 -11.661 1.00 1.62 O ATOM 1883 CB HIS A 126 -2.909 4.064 -9.060 1.00 1.12 C ATOM 1884 CG HIS A 126 -2.790 5.496 -8.597 1.00 1.20 C ATOM 1885 ND1 HIS A 126 -1.697 6.293 -8.896 1.00 1.06 N ATOM 1886 CD2 HIS A 126 -3.637 6.267 -7.857 1.00 2.22 C ATOM 1887 CE1 HIS A 126 -1.889 7.485 -8.353 1.00 0.99 C ATOM 1888 NE2 HIS A 126 -3.091 7.469 -7.710 1.00 1.92 N ATOM 0 H HIS A 126 -4.123 4.440 -11.350 1.00 1.18 H new ATOM 0 HA HIS A 126 -1.317 4.199 -10.440 1.00 1.11 H new ATOM 0 HB2 HIS A 126 -3.961 3.777 -9.053 1.00 1.12 H new ATOM 0 HB3 HIS A 126 -2.398 3.418 -8.346 1.00 1.12 H new ATOM 0 HD1 HIS A 126 -0.883 6.010 -9.442 1.00 1.06 H new ATOM 0 HD2 HIS A 126 -4.590 5.953 -7.458 1.00 2.22 H new ATOM 0 HE1 HIS A 126 -1.211 8.324 -8.410 1.00 0.99 H new ATOM 1896 N VAL A 127 -1.357 1.634 -10.121 1.00 1.24 N ATOM 1897 CA VAL A 127 -1.113 0.230 -10.408 1.00 1.16 C ATOM 1898 C VAL A 127 -1.863 -0.632 -9.390 1.00 1.03 C ATOM 1899 O VAL A 127 -1.976 -0.261 -8.222 1.00 1.18 O ATOM 1900 CB VAL A 127 0.392 -0.045 -10.432 1.00 1.31 C ATOM 1901 CG1 VAL A 127 0.673 -1.543 -10.557 1.00 1.23 C ATOM 1902 CG2 VAL A 127 1.075 0.737 -11.555 1.00 1.52 C ATOM 0 H VAL A 127 -0.786 2.022 -9.370 1.00 1.24 H new ATOM 0 HA VAL A 127 -1.493 -0.030 -11.396 1.00 1.16 H new ATOM 0 HB VAL A 127 0.810 0.296 -9.485 1.00 1.31 H new ATOM 0 HG11 VAL A 127 1.750 -1.711 -10.572 1.00 1.23 H new ATOM 0 HG12 VAL A 127 0.235 -2.067 -9.707 1.00 1.23 H new ATOM 0 HG13 VAL A 127 0.234 -1.920 -11.481 1.00 1.23 H new ATOM 0 HG21 VAL A 127 2.144 0.523 -11.549 1.00 1.52 H new ATOM 0 HG22 VAL A 127 0.651 0.441 -12.515 1.00 1.52 H new ATOM 0 HG23 VAL A 127 0.918 1.805 -11.403 1.00 1.52 H new ATOM 1912 N VAL A 128 -2.354 -1.765 -9.870 1.00 0.89 N ATOM 1913 CA VAL A 128 -3.138 -2.655 -9.030 1.00 0.71 C ATOM 1914 C VAL A 128 -2.715 -4.101 -9.293 1.00 0.58 C ATOM 1915 O VAL A 128 -2.997 -4.650 -10.357 1.00 0.70 O ATOM 1916 CB VAL A 128 -4.631 -2.416 -9.267 1.00 0.82 C ATOM 1917 CG1 VAL A 128 -5.468 -3.015 -8.134 1.00 0.96 C ATOM 1918 CG2 VAL A 128 -4.928 -0.925 -9.438 1.00 0.97 C ATOM 0 H VAL A 128 -2.224 -2.087 -10.829 1.00 0.89 H new ATOM 0 HA VAL A 128 -2.952 -2.449 -7.976 1.00 0.71 H new ATOM 0 HB VAL A 128 -4.908 -2.921 -10.193 1.00 0.82 H new ATOM 0 HG11 VAL A 128 -6.525 -2.832 -8.326 1.00 0.96 H new ATOM 0 HG12 VAL A 128 -5.290 -4.089 -8.079 1.00 0.96 H new ATOM 0 HG13 VAL A 128 -5.185 -2.552 -7.189 1.00 0.96 H new ATOM 0 HG21 VAL A 128 -5.996 -0.784 -9.605 1.00 0.97 H new ATOM 0 HG22 VAL A 128 -4.627 -0.389 -8.538 1.00 0.97 H new ATOM 0 HG23 VAL A 128 -4.373 -0.539 -10.293 1.00 0.97 H new ATOM 1928 N PHE A 129 -2.044 -4.677 -8.307 1.00 0.62 N ATOM 1929 CA PHE A 129 -1.621 -6.064 -8.399 1.00 0.62 C ATOM 1930 C PHE A 129 -1.841 -6.794 -7.072 1.00 0.65 C ATOM 1931 O PHE A 129 -0.988 -7.565 -6.635 1.00 0.83 O ATOM 1932 CB PHE A 129 -0.125 -6.054 -8.720 1.00 0.85 C ATOM 1933 CG PHE A 129 0.219 -5.405 -10.062 1.00 2.87 C ATOM 1934 CD1 PHE A 129 -0.601 -5.581 -11.132 1.00 4.82 C ATOM 1935 CD2 PHE A 129 1.346 -4.653 -10.184 1.00 3.79 C ATOM 1936 CE1 PHE A 129 -0.282 -4.978 -12.378 1.00 7.03 C ATOM 1937 CE2 PHE A 129 1.665 -4.050 -11.430 1.00 5.99 C ATOM 1938 CZ PHE A 129 0.845 -4.226 -12.501 1.00 7.40 C ATOM 0 H PHE A 129 -1.783 -4.208 -7.440 1.00 0.62 H new ATOM 0 HA PHE A 129 -2.199 -6.579 -9.166 1.00 0.62 H new ATOM 0 HB2 PHE A 129 0.403 -5.525 -7.926 1.00 0.85 H new ATOM 0 HB3 PHE A 129 0.243 -7.080 -8.719 1.00 0.85 H new ATOM 0 HD1 PHE A 129 -1.495 -6.179 -11.035 1.00 4.82 H new ATOM 0 HD2 PHE A 129 1.998 -4.515 -9.334 1.00 3.79 H new ATOM 0 HE1 PHE A 129 -0.934 -5.117 -13.228 1.00 7.03 H new ATOM 0 HE2 PHE A 129 2.559 -3.452 -11.527 1.00 5.99 H new ATOM 0 HZ PHE A 129 1.089 -3.769 -13.449 1.00 7.40 H new ATOM 1948 N GLY A 130 -2.989 -6.524 -6.468 1.00 0.58 N ATOM 1949 CA GLY A 130 -3.382 -7.227 -5.258 1.00 0.63 C ATOM 1950 C GLY A 130 -4.715 -6.698 -4.727 1.00 0.64 C ATOM 1951 O GLY A 130 -5.231 -5.697 -5.219 1.00 0.71 O ATOM 0 H GLY A 130 -3.660 -5.828 -6.794 1.00 0.58 H new ATOM 0 HA2 GLY A 130 -3.466 -8.294 -5.464 1.00 0.63 H new ATOM 0 HA3 GLY A 130 -2.610 -7.109 -4.497 1.00 0.63 H new ATOM 1955 N LYS A 131 -5.235 -7.398 -3.728 1.00 0.67 N ATOM 1956 CA LYS A 131 -6.444 -6.953 -3.054 1.00 0.86 C ATOM 1957 C LYS A 131 -6.515 -7.599 -1.668 1.00 0.71 C ATOM 1958 O LYS A 131 -5.766 -8.529 -1.373 1.00 0.77 O ATOM 1959 CB LYS A 131 -7.673 -7.223 -3.922 1.00 1.15 C ATOM 1960 CG LYS A 131 -7.566 -8.583 -4.617 1.00 1.52 C ATOM 1961 CD LYS A 131 -7.998 -9.712 -3.680 1.00 2.25 C ATOM 1962 CE LYS A 131 -9.523 -9.802 -3.596 1.00 2.18 C ATOM 1963 NZ LYS A 131 -9.929 -10.744 -2.529 1.00 3.04 N ATOM 0 H LYS A 131 -4.842 -8.268 -3.370 1.00 0.67 H new ATOM 0 HA LYS A 131 -6.422 -5.874 -2.904 1.00 0.86 H new ATOM 0 HB2 LYS A 131 -8.571 -7.195 -3.305 1.00 1.15 H new ATOM 0 HB3 LYS A 131 -7.775 -6.436 -4.669 1.00 1.15 H new ATOM 0 HG2 LYS A 131 -8.190 -8.589 -5.511 1.00 1.52 H new ATOM 0 HG3 LYS A 131 -6.539 -8.749 -4.943 1.00 1.52 H new ATOM 0 HD2 LYS A 131 -7.593 -10.659 -4.036 1.00 2.25 H new ATOM 0 HD3 LYS A 131 -7.585 -9.542 -2.686 1.00 2.25 H new ATOM 0 HE2 LYS A 131 -9.941 -8.815 -3.396 1.00 2.18 H new ATOM 0 HE3 LYS A 131 -9.927 -10.132 -4.553 1.00 2.18 H new ATOM 0 HZ1 LYS A 131 -10.907 -11.055 -2.695 1.00 3.04 H new ATOM 0 HZ2 LYS A 131 -9.297 -11.570 -2.536 1.00 3.04 H new ATOM 0 HZ3 LYS A 131 -9.868 -10.270 -1.606 1.00 3.04 H new ATOM 1977 N VAL A 132 -7.423 -7.080 -0.854 1.00 0.69 N ATOM 1978 CA VAL A 132 -7.590 -7.581 0.498 1.00 0.66 C ATOM 1979 C VAL A 132 -8.294 -8.939 0.452 1.00 0.72 C ATOM 1980 O VAL A 132 -9.169 -9.159 -0.382 1.00 1.00 O ATOM 1981 CB VAL A 132 -8.333 -6.551 1.351 1.00 0.83 C ATOM 1982 CG1 VAL A 132 -8.653 -7.114 2.737 1.00 1.00 C ATOM 1983 CG2 VAL A 132 -7.536 -5.249 1.458 1.00 1.14 C ATOM 0 H VAL A 132 -8.051 -6.317 -1.106 1.00 0.69 H new ATOM 0 HA VAL A 132 -6.619 -7.734 0.970 1.00 0.66 H new ATOM 0 HB VAL A 132 -9.277 -6.325 0.856 1.00 0.83 H new ATOM 0 HG11 VAL A 132 -9.181 -6.361 3.322 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -9.280 -8.000 2.634 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -7.726 -7.383 3.243 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -8.087 -4.534 2.070 1.00 1.14 H new ATOM 0 HG22 VAL A 132 -6.569 -5.451 1.919 1.00 1.14 H new ATOM 0 HG23 VAL A 132 -7.384 -4.833 0.462 1.00 1.14 H new ATOM 1993 N LYS A 133 -7.884 -9.813 1.360 1.00 0.86 N ATOM 1994 CA LYS A 133 -8.464 -11.143 1.433 1.00 0.97 C ATOM 1995 C LYS A 133 -9.642 -11.128 2.409 1.00 0.82 C ATOM 1996 O LYS A 133 -10.799 -11.123 1.992 1.00 1.76 O ATOM 1997 CB LYS A 133 -7.392 -12.177 1.779 1.00 1.42 C ATOM 1998 CG LYS A 133 -7.629 -13.487 1.026 1.00 1.52 C ATOM 1999 CD LYS A 133 -7.455 -14.693 1.953 1.00 1.97 C ATOM 2000 CE LYS A 133 -8.698 -14.899 2.821 1.00 2.70 C ATOM 2001 NZ LYS A 133 -8.568 -16.136 3.624 1.00 4.17 N ATOM 0 H LYS A 133 -7.157 -9.626 2.051 1.00 0.86 H new ATOM 0 HA LYS A 133 -8.858 -11.440 0.461 1.00 0.97 H new ATOM 0 HB2 LYS A 133 -6.407 -11.783 1.528 1.00 1.42 H new ATOM 0 HB3 LYS A 133 -7.396 -12.365 2.853 1.00 1.42 H new ATOM 0 HG2 LYS A 133 -8.634 -13.491 0.603 1.00 1.52 H new ATOM 0 HG3 LYS A 133 -6.932 -13.562 0.191 1.00 1.52 H new ATOM 0 HD2 LYS A 133 -7.268 -15.588 1.360 1.00 1.97 H new ATOM 0 HD3 LYS A 133 -6.583 -14.545 2.590 1.00 1.97 H new ATOM 0 HE2 LYS A 133 -8.835 -14.042 3.481 1.00 2.70 H new ATOM 0 HE3 LYS A 133 -9.584 -14.959 2.189 1.00 2.70 H new ATOM 0 HZ1 LYS A 133 -9.447 -16.298 4.156 1.00 4.17 H new ATOM 0 HZ2 LYS A 133 -8.392 -16.943 2.992 1.00 4.17 H new ATOM 0 HZ3 LYS A 133 -7.774 -16.037 4.288 1.00 4.17 H new ATOM 2015 N GLU A 134 -9.307 -11.121 3.691 1.00 1.11 N ATOM 2016 CA GLU A 134 -10.322 -11.136 4.730 1.00 1.11 C ATOM 2017 C GLU A 134 -9.846 -10.346 5.950 1.00 1.43 C ATOM 2018 O GLU A 134 -9.453 -10.930 6.959 1.00 2.77 O ATOM 2019 CB GLU A 134 -10.690 -12.571 5.115 1.00 1.36 C ATOM 2020 CG GLU A 134 -11.536 -13.232 4.026 1.00 2.21 C ATOM 2021 CD GLU A 134 -11.914 -14.663 4.417 1.00 2.56 C ATOM 2022 OE1 GLU A 134 -10.988 -15.501 4.464 1.00 3.10 O ATOM 2023 OE2 GLU A 134 -13.119 -14.885 4.658 1.00 3.35 O ATOM 0 H GLU A 134 -8.346 -11.105 4.034 1.00 1.11 H new ATOM 0 HA GLU A 134 -11.220 -10.657 4.340 1.00 1.11 H new ATOM 0 HB2 GLU A 134 -9.782 -13.152 5.277 1.00 1.36 H new ATOM 0 HB3 GLU A 134 -11.240 -12.569 6.056 1.00 1.36 H new ATOM 0 HG2 GLU A 134 -12.440 -12.647 3.857 1.00 2.21 H new ATOM 0 HG3 GLU A 134 -10.983 -13.242 3.087 1.00 2.21 H new ATOM 2030 N GLY A 135 -9.896 -9.029 5.818 1.00 0.78 N ATOM 2031 CA GLY A 135 -9.521 -8.151 6.914 1.00 0.84 C ATOM 2032 C GLY A 135 -9.920 -6.705 6.621 1.00 0.78 C ATOM 2033 O GLY A 135 -9.199 -5.774 6.974 1.00 0.82 O ATOM 0 H GLY A 135 -10.191 -8.548 4.968 1.00 0.78 H new ATOM 0 HA2 GLY A 135 -10.002 -8.485 7.833 1.00 0.84 H new ATOM 0 HA3 GLY A 135 -8.445 -8.209 7.079 1.00 0.84 H new ATOM 2037 N MET A 136 -11.069 -6.561 5.976 1.00 0.91 N ATOM 2038 CA MET A 136 -11.564 -5.244 5.614 1.00 0.98 C ATOM 2039 C MET A 136 -11.996 -4.461 6.857 1.00 0.92 C ATOM 2040 O MET A 136 -12.048 -3.232 6.833 1.00 0.95 O ATOM 2041 CB MET A 136 -12.753 -5.388 4.662 1.00 1.19 C ATOM 2042 CG MET A 136 -12.281 -5.672 3.235 1.00 1.04 C ATOM 2043 SD MET A 136 -13.139 -4.608 2.086 1.00 1.53 S ATOM 2044 CE MET A 136 -12.280 -3.073 2.384 1.00 0.98 C ATOM 0 H MET A 136 -11.671 -7.335 5.695 1.00 0.91 H new ATOM 0 HA MET A 136 -10.760 -4.696 5.123 1.00 0.98 H new ATOM 0 HB2 MET A 136 -13.400 -6.196 5.002 1.00 1.19 H new ATOM 0 HB3 MET A 136 -13.348 -4.475 4.677 1.00 1.19 H new ATOM 0 HG2 MET A 136 -11.206 -5.510 3.160 1.00 1.04 H new ATOM 0 HG3 MET A 136 -12.465 -6.716 2.983 1.00 1.04 H new ATOM 0 HE1 MET A 136 -12.989 -2.320 2.727 1.00 0.98 H new ATOM 0 HE2 MET A 136 -11.516 -3.226 3.146 1.00 0.98 H new ATOM 0 HE3 MET A 136 -11.809 -2.734 1.461 1.00 0.98 H new ATOM 2054 N ASN A 137 -12.296 -5.205 7.910 1.00 0.90 N ATOM 2055 CA ASN A 137 -12.785 -4.601 9.139 1.00 0.95 C ATOM 2056 C ASN A 137 -11.659 -3.792 9.787 1.00 0.76 C ATOM 2057 O ASN A 137 -11.891 -2.700 10.300 1.00 0.69 O ATOM 2058 CB ASN A 137 -13.236 -5.668 10.136 1.00 1.09 C ATOM 2059 CG ASN A 137 -13.900 -5.032 11.359 1.00 2.06 C ATOM 2060 OD1 ASN A 137 -15.104 -4.847 11.417 1.00 3.27 O ATOM 2061 ND2 ASN A 137 -13.050 -4.708 12.329 1.00 3.00 N ATOM 0 H ASN A 137 -12.210 -6.221 7.939 1.00 0.90 H new ATOM 0 HA ASN A 137 -13.632 -3.963 8.888 1.00 0.95 H new ATOM 0 HB2 ASN A 137 -13.935 -6.350 9.652 1.00 1.09 H new ATOM 0 HB3 ASN A 137 -12.378 -6.262 10.451 1.00 1.09 H new ATOM 0 HD21 ASN A 137 -13.395 -4.277 13.187 1.00 3.00 H new ATOM 0 HD22 ASN A 137 -12.053 -4.891 12.215 1.00 3.00 H new ATOM 2068 N ILE A 138 -10.464 -4.362 9.742 1.00 0.74 N ATOM 2069 CA ILE A 138 -9.299 -3.704 10.310 1.00 0.64 C ATOM 2070 C ILE A 138 -8.948 -2.479 9.462 1.00 0.63 C ATOM 2071 O ILE A 138 -8.427 -1.492 9.978 1.00 0.67 O ATOM 2072 CB ILE A 138 -8.145 -4.696 10.464 1.00 0.62 C ATOM 2073 CG1 ILE A 138 -8.364 -5.607 11.675 1.00 0.97 C ATOM 2074 CG2 ILE A 138 -6.801 -3.968 10.532 1.00 0.66 C ATOM 2075 CD1 ILE A 138 -9.435 -6.660 11.381 1.00 1.36 C ATOM 0 H ILE A 138 -10.277 -5.272 9.321 1.00 0.74 H new ATOM 0 HA ILE A 138 -9.516 -3.345 11.316 1.00 0.64 H new ATOM 0 HB ILE A 138 -8.122 -5.333 9.580 1.00 0.62 H new ATOM 0 HG12 ILE A 138 -7.428 -6.099 11.939 1.00 0.97 H new ATOM 0 HG13 ILE A 138 -8.663 -5.009 12.536 1.00 0.97 H new ATOM 0 HG21 ILE A 138 -5.998 -4.697 10.641 1.00 0.66 H new ATOM 0 HG22 ILE A 138 -6.650 -3.396 9.616 1.00 0.66 H new ATOM 0 HG23 ILE A 138 -6.796 -3.292 11.387 1.00 0.66 H new ATOM 0 HD11 ILE A 138 -9.572 -7.294 12.257 1.00 1.36 H new ATOM 0 HD12 ILE A 138 -10.376 -6.165 11.141 1.00 1.36 H new ATOM 0 HD13 ILE A 138 -9.121 -7.272 10.535 1.00 1.36 H new ATOM 2087 N VAL A 139 -9.246 -2.585 8.175 1.00 0.69 N ATOM 2088 CA VAL A 139 -9.026 -1.475 7.263 1.00 0.78 C ATOM 2089 C VAL A 139 -10.042 -0.370 7.557 1.00 0.83 C ATOM 2090 O VAL A 139 -9.700 0.811 7.544 1.00 0.87 O ATOM 2091 CB VAL A 139 -9.082 -1.969 5.816 1.00 0.92 C ATOM 2092 CG1 VAL A 139 -9.076 -0.795 4.835 1.00 1.09 C ATOM 2093 CG2 VAL A 139 -7.934 -2.936 5.521 1.00 0.92 C ATOM 0 H VAL A 139 -9.638 -3.422 7.743 1.00 0.69 H new ATOM 0 HA VAL A 139 -8.033 -1.051 7.410 1.00 0.78 H new ATOM 0 HB VAL A 139 -10.018 -2.511 5.684 1.00 0.92 H new ATOM 0 HG11 VAL A 139 -9.116 -1.174 3.814 1.00 1.09 H new ATOM 0 HG12 VAL A 139 -9.943 -0.161 5.021 1.00 1.09 H new ATOM 0 HG13 VAL A 139 -8.165 -0.213 4.970 1.00 1.09 H new ATOM 0 HG21 VAL A 139 -7.998 -3.272 4.486 1.00 0.92 H new ATOM 0 HG22 VAL A 139 -6.982 -2.430 5.680 1.00 0.92 H new ATOM 0 HG23 VAL A 139 -8.003 -3.797 6.186 1.00 0.92 H new ATOM 2103 N GLU A 140 -11.270 -0.793 7.817 1.00 0.88 N ATOM 2104 CA GLU A 140 -12.341 0.147 8.106 1.00 0.96 C ATOM 2105 C GLU A 140 -12.072 0.864 9.430 1.00 0.88 C ATOM 2106 O GLU A 140 -12.484 2.009 9.614 1.00 1.01 O ATOM 2107 CB GLU A 140 -13.698 -0.558 8.129 1.00 1.09 C ATOM 2108 CG GLU A 140 -14.693 0.138 7.197 1.00 1.18 C ATOM 2109 CD GLU A 140 -14.542 -0.365 5.760 1.00 2.52 C ATOM 2110 OE1 GLU A 140 -13.399 -0.723 5.402 1.00 3.86 O ATOM 2111 OE2 GLU A 140 -15.572 -0.380 5.052 1.00 3.50 O ATOM 0 H GLU A 140 -11.548 -1.774 7.834 1.00 0.88 H new ATOM 0 HA GLU A 140 -12.370 0.892 7.311 1.00 0.96 H new ATOM 0 HB2 GLU A 140 -13.577 -1.598 7.826 1.00 1.09 H new ATOM 0 HB3 GLU A 140 -14.091 -0.566 9.146 1.00 1.09 H new ATOM 0 HG2 GLU A 140 -15.710 -0.043 7.545 1.00 1.18 H new ATOM 0 HG3 GLU A 140 -14.533 1.216 7.228 1.00 1.18 H new ATOM 2118 N ALA A 141 -11.384 0.163 10.319 1.00 0.78 N ATOM 2119 CA ALA A 141 -10.955 0.757 11.572 1.00 0.82 C ATOM 2120 C ALA A 141 -9.874 1.804 11.291 1.00 0.81 C ATOM 2121 O ALA A 141 -9.926 2.913 11.821 1.00 0.93 O ATOM 2122 CB ALA A 141 -10.471 -0.342 12.520 1.00 0.93 C ATOM 0 H ALA A 141 -11.113 -0.813 10.195 1.00 0.78 H new ATOM 0 HA ALA A 141 -11.787 1.265 12.061 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -10.149 0.105 13.461 1.00 0.93 H new ATOM 0 HB2 ALA A 141 -11.284 -1.042 12.710 1.00 0.93 H new ATOM 0 HB3 ALA A 141 -9.634 -0.872 12.065 1.00 0.93 H new ATOM 2128 N MET A 142 -8.920 1.413 10.459 1.00 0.82 N ATOM 2129 CA MET A 142 -7.817 2.295 10.118 1.00 0.99 C ATOM 2130 C MET A 142 -8.330 3.659 9.652 1.00 0.81 C ATOM 2131 O MET A 142 -7.968 4.689 10.217 1.00 0.81 O ATOM 2132 CB MET A 142 -6.978 1.658 9.008 1.00 1.33 C ATOM 2133 CG MET A 142 -5.753 0.947 9.587 1.00 1.63 C ATOM 2134 SD MET A 142 -4.312 1.989 9.430 1.00 1.47 S ATOM 2135 CE MET A 142 -3.901 1.695 7.718 1.00 1.48 C ATOM 0 H MET A 142 -8.888 0.497 10.011 1.00 0.82 H new ATOM 0 HA MET A 142 -7.206 2.443 11.008 1.00 0.99 H new ATOM 0 HB2 MET A 142 -7.586 0.946 8.450 1.00 1.33 H new ATOM 0 HB3 MET A 142 -6.658 2.425 8.303 1.00 1.33 H new ATOM 0 HG2 MET A 142 -5.925 0.705 10.636 1.00 1.63 H new ATOM 0 HG3 MET A 142 -5.589 0.004 9.065 1.00 1.63 H new ATOM 0 HE1 MET A 142 -3.330 2.539 7.331 1.00 1.48 H new ATOM 0 HE2 MET A 142 -3.305 0.786 7.638 1.00 1.48 H new ATOM 0 HE3 MET A 142 -4.817 1.581 7.138 1.00 1.48 H new ATOM 2145 N GLU A 143 -9.166 3.621 8.624 1.00 0.82 N ATOM 2146 CA GLU A 143 -9.592 4.841 7.960 1.00 0.80 C ATOM 2147 C GLU A 143 -10.401 5.713 8.922 1.00 0.80 C ATOM 2148 O GLU A 143 -10.490 6.928 8.740 1.00 0.87 O ATOM 2149 CB GLU A 143 -10.395 4.526 6.697 1.00 0.89 C ATOM 2150 CG GLU A 143 -11.844 4.176 7.041 1.00 2.05 C ATOM 2151 CD GLU A 143 -12.644 3.849 5.778 1.00 2.20 C ATOM 2152 OE1 GLU A 143 -12.359 2.786 5.186 1.00 2.72 O ATOM 2153 OE2 GLU A 143 -13.522 4.670 5.435 1.00 3.07 O ATOM 0 H GLU A 143 -9.559 2.764 8.235 1.00 0.82 H new ATOM 0 HA GLU A 143 -8.704 5.396 7.657 1.00 0.80 H new ATOM 0 HB2 GLU A 143 -10.374 5.384 6.025 1.00 0.89 H new ATOM 0 HB3 GLU A 143 -9.933 3.694 6.166 1.00 0.89 H new ATOM 0 HG2 GLU A 143 -11.865 3.323 7.720 1.00 2.05 H new ATOM 0 HG3 GLU A 143 -12.309 5.011 7.564 1.00 2.05 H new ATOM 2160 N ARG A 144 -10.972 5.062 9.924 1.00 0.88 N ATOM 2161 CA ARG A 144 -11.753 5.766 10.926 1.00 1.03 C ATOM 2162 C ARG A 144 -10.866 6.740 11.704 1.00 1.02 C ATOM 2163 O ARG A 144 -11.335 7.777 12.170 1.00 1.14 O ATOM 2164 CB ARG A 144 -12.404 4.788 11.905 1.00 1.41 C ATOM 2165 CG ARG A 144 -13.801 5.263 12.309 1.00 1.59 C ATOM 2166 CD ARG A 144 -13.720 6.460 13.258 1.00 3.18 C ATOM 2167 NE ARG A 144 -14.890 6.467 14.165 1.00 3.89 N ATOM 2168 CZ ARG A 144 -14.972 5.742 15.289 1.00 4.94 C ATOM 2169 NH1 ARG A 144 -14.019 4.845 15.580 1.00 5.47 N ATOM 2170 NH2 ARG A 144 -16.007 5.915 16.123 1.00 6.10 N ATOM 0 H ARG A 144 -10.909 4.054 10.064 1.00 0.88 H new ATOM 0 HA ARG A 144 -12.536 6.318 10.407 1.00 1.03 H new ATOM 0 HB2 ARG A 144 -12.470 3.801 11.448 1.00 1.41 H new ATOM 0 HB3 ARG A 144 -11.780 4.687 12.793 1.00 1.41 H new ATOM 0 HG2 ARG A 144 -14.367 5.538 11.419 1.00 1.59 H new ATOM 0 HG3 ARG A 144 -14.341 4.448 12.791 1.00 1.59 H new ATOM 0 HD2 ARG A 144 -12.799 6.412 13.839 1.00 3.18 H new ATOM 0 HD3 ARG A 144 -13.688 7.387 12.685 1.00 3.18 H new ATOM 0 HE ARG A 144 -15.683 7.060 13.919 1.00 3.89 H new ATOM 0 HH11 ARG A 144 -13.231 4.714 14.946 1.00 5.47 H new ATOM 0 HH12 ARG A 144 -14.082 4.293 16.436 1.00 5.47 H new ATOM 0 HH21 ARG A 144 -16.731 6.598 15.902 1.00 6.10 H new ATOM 0 HH22 ARG A 144 -16.070 5.364 16.979 1.00 6.10 H new ATOM 2184 N PHE A 145 -9.599 6.372 11.821 1.00 1.02 N ATOM 2185 CA PHE A 145 -8.662 7.151 12.614 1.00 1.13 C ATOM 2186 C PHE A 145 -7.772 8.016 11.718 1.00 1.26 C ATOM 2187 O PHE A 145 -6.723 8.489 12.152 1.00 1.72 O ATOM 2188 CB PHE A 145 -7.786 6.157 13.377 1.00 1.14 C ATOM 2189 CG PHE A 145 -8.573 5.135 14.200 1.00 1.43 C ATOM 2190 CD1 PHE A 145 -9.510 5.559 15.091 1.00 2.09 C ATOM 2191 CD2 PHE A 145 -8.337 3.806 14.040 1.00 2.71 C ATOM 2192 CE1 PHE A 145 -10.241 4.611 15.855 1.00 2.48 C ATOM 2193 CE2 PHE A 145 -9.069 2.859 14.804 1.00 3.14 C ATOM 2194 CZ PHE A 145 -10.006 3.281 15.696 1.00 2.50 C ATOM 0 H PHE A 145 -9.198 5.544 11.380 1.00 1.02 H new ATOM 0 HA PHE A 145 -9.206 7.813 13.288 1.00 1.13 H new ATOM 0 HB2 PHE A 145 -7.154 5.625 12.666 1.00 1.14 H new ATOM 0 HB3 PHE A 145 -7.122 6.710 14.042 1.00 1.14 H new ATOM 0 HD1 PHE A 145 -9.698 6.615 15.217 1.00 2.09 H new ATOM 0 HD2 PHE A 145 -7.593 3.471 13.332 1.00 2.71 H new ATOM 0 HE1 PHE A 145 -10.984 4.947 16.563 1.00 2.48 H new ATOM 0 HE2 PHE A 145 -8.882 1.803 14.677 1.00 3.14 H new ATOM 0 HZ PHE A 145 -10.562 2.560 16.277 1.00 2.50 H new ATOM 2204 N GLY A 146 -8.224 8.194 10.485 1.00 1.04 N ATOM 2205 CA GLY A 146 -7.508 9.034 9.540 1.00 1.19 C ATOM 2206 C GLY A 146 -7.974 10.489 9.637 1.00 1.28 C ATOM 2207 O GLY A 146 -8.333 10.959 10.714 1.00 1.84 O ATOM 0 H GLY A 146 -9.077 7.771 10.119 1.00 1.04 H new ATOM 0 HA2 GLY A 146 -6.437 8.977 9.736 1.00 1.19 H new ATOM 0 HA3 GLY A 146 -7.666 8.664 8.527 1.00 1.19 H new ATOM 2211 N SER A 147 -7.954 11.159 8.495 1.00 1.33 N ATOM 2212 CA SER A 147 -8.379 12.547 8.434 1.00 1.55 C ATOM 2213 C SER A 147 -8.854 12.889 7.020 1.00 1.76 C ATOM 2214 O SER A 147 -8.787 12.052 6.121 1.00 2.75 O ATOM 2215 CB SER A 147 -7.249 13.489 8.855 1.00 2.70 C ATOM 2216 OG SER A 147 -6.246 13.601 7.850 1.00 4.70 O ATOM 0 H SER A 147 -7.650 10.767 7.604 1.00 1.33 H new ATOM 0 HA SER A 147 -9.206 12.680 9.131 1.00 1.55 H new ATOM 0 HB2 SER A 147 -7.660 14.476 9.069 1.00 2.70 H new ATOM 0 HB3 SER A 147 -6.798 13.125 9.778 1.00 2.70 H new ATOM 0 HG SER A 147 -5.426 13.159 8.155 1.00 4.70 H new ATOM 2222 N ARG A 148 -9.324 14.118 6.869 1.00 1.76 N ATOM 2223 CA ARG A 148 -9.829 14.573 5.584 1.00 2.49 C ATOM 2224 C ARG A 148 -8.670 14.982 4.673 1.00 2.84 C ATOM 2225 O ARG A 148 -8.808 14.988 3.451 1.00 3.30 O ATOM 2226 CB ARG A 148 -10.778 15.761 5.755 1.00 2.97 C ATOM 2227 CG ARG A 148 -10.008 17.029 6.129 1.00 3.10 C ATOM 2228 CD ARG A 148 -10.966 18.183 6.432 1.00 3.79 C ATOM 2229 NE ARG A 148 -11.648 18.613 5.191 1.00 5.05 N ATOM 2230 CZ ARG A 148 -12.974 18.560 5.005 1.00 5.99 C ATOM 2231 NH1 ARG A 148 -13.712 17.679 5.695 1.00 6.10 N ATOM 2232 NH2 ARG A 148 -13.562 19.386 4.129 1.00 7.51 N ATOM 0 H ARG A 148 -9.366 14.813 7.614 1.00 1.76 H new ATOM 0 HA ARG A 148 -10.377 13.747 5.131 1.00 2.49 H new ATOM 0 HB2 ARG A 148 -11.330 15.926 4.830 1.00 2.97 H new ATOM 0 HB3 ARG A 148 -11.512 15.536 6.528 1.00 2.97 H new ATOM 0 HG2 ARG A 148 -9.381 16.835 6.999 1.00 3.10 H new ATOM 0 HG3 ARG A 148 -9.343 17.309 5.312 1.00 3.10 H new ATOM 0 HD2 ARG A 148 -11.703 17.870 7.172 1.00 3.79 H new ATOM 0 HD3 ARG A 148 -10.416 19.020 6.863 1.00 3.79 H new ATOM 0 HE ARG A 148 -11.073 18.972 4.429 1.00 5.05 H new ATOM 0 HH11 ARG A 148 -13.264 17.050 6.361 1.00 6.10 H new ATOM 0 HH12 ARG A 148 -14.721 17.638 5.554 1.00 6.10 H new ATOM 0 HH21 ARG A 148 -13.000 20.056 3.603 1.00 7.51 H new ATOM 0 HH22 ARG A 148 -14.571 19.345 3.988 1.00 7.51 H new ATOM 2246 N ASN A 149 -7.552 15.316 5.303 1.00 2.87 N ATOM 2247 CA ASN A 149 -6.388 15.780 4.569 1.00 3.47 C ATOM 2248 C ASN A 149 -5.480 14.588 4.257 1.00 3.42 C ATOM 2249 O ASN A 149 -4.897 14.513 3.176 1.00 4.32 O ATOM 2250 CB ASN A 149 -5.582 16.786 5.391 1.00 3.83 C ATOM 2251 CG ASN A 149 -5.395 16.295 6.828 1.00 3.39 C ATOM 2252 OD1 ASN A 149 -4.464 15.574 7.149 1.00 3.79 O ATOM 2253 ND2 ASN A 149 -6.329 16.723 7.673 1.00 3.51 N ATOM 0 H ASN A 149 -7.429 15.274 6.315 1.00 2.87 H new ATOM 0 HA ASN A 149 -6.736 16.260 3.654 1.00 3.47 H new ATOM 0 HB2 ASN A 149 -4.608 16.943 4.927 1.00 3.83 H new ATOM 0 HB3 ASN A 149 -6.092 17.749 5.395 1.00 3.83 H new ATOM 0 HD21 ASN A 149 -6.292 16.449 8.655 1.00 3.51 H new ATOM 0 HD22 ASN A 149 -7.082 17.325 7.339 1.00 3.51 H new ATOM 2260 N GLY A 150 -5.389 13.686 5.223 1.00 2.53 N ATOM 2261 CA GLY A 150 -4.594 12.482 5.048 1.00 2.66 C ATOM 2262 C GLY A 150 -3.811 12.154 6.321 1.00 2.08 C ATOM 2263 O GLY A 150 -3.712 10.991 6.712 1.00 2.90 O ATOM 0 H GLY A 150 -5.852 13.764 6.129 1.00 2.53 H new ATOM 0 HA2 GLY A 150 -5.245 11.646 4.791 1.00 2.66 H new ATOM 0 HA3 GLY A 150 -3.903 12.616 4.216 1.00 2.66 H new ATOM 2267 N LYS A 151 -3.274 13.199 6.934 1.00 2.00 N ATOM 2268 CA LYS A 151 -2.461 13.032 8.127 1.00 2.20 C ATOM 2269 C LYS A 151 -3.293 12.346 9.213 1.00 1.91 C ATOM 2270 O LYS A 151 -4.381 12.808 9.551 1.00 2.06 O ATOM 2271 CB LYS A 151 -1.866 14.373 8.562 1.00 2.84 C ATOM 2272 CG LYS A 151 -0.818 14.176 9.658 1.00 2.66 C ATOM 2273 CD LYS A 151 -1.397 14.503 11.036 1.00 3.38 C ATOM 2274 CE LYS A 151 -0.547 13.887 12.149 1.00 3.86 C ATOM 2275 NZ LYS A 151 -1.302 13.854 13.421 1.00 5.52 N ATOM 0 H LYS A 151 -3.386 14.165 6.627 1.00 2.00 H new ATOM 0 HA LYS A 151 -1.609 12.384 7.921 1.00 2.20 H new ATOM 0 HB2 LYS A 151 -1.412 14.869 7.704 1.00 2.84 H new ATOM 0 HB3 LYS A 151 -2.659 15.027 8.925 1.00 2.84 H new ATOM 0 HG2 LYS A 151 -0.462 13.146 9.644 1.00 2.66 H new ATOM 0 HG3 LYS A 151 0.044 14.814 9.461 1.00 2.66 H new ATOM 0 HD2 LYS A 151 -1.445 15.584 11.167 1.00 3.38 H new ATOM 0 HD3 LYS A 151 -2.418 14.128 11.104 1.00 3.38 H new ATOM 0 HE2 LYS A 151 -0.249 12.876 11.870 1.00 3.86 H new ATOM 0 HE3 LYS A 151 0.368 14.465 12.278 1.00 3.86 H new ATOM 0 HZ1 LYS A 151 -0.729 13.387 14.153 1.00 5.52 H new ATOM 0 HZ2 LYS A 151 -1.521 14.826 13.720 1.00 5.52 H new ATOM 0 HZ3 LYS A 151 -2.188 13.326 13.285 1.00 5.52 H new ATOM 2289 N THR A 152 -2.747 11.255 9.730 1.00 2.13 N ATOM 2290 CA THR A 152 -3.474 10.435 10.684 1.00 2.07 C ATOM 2291 C THR A 152 -3.825 11.250 11.930 1.00 1.96 C ATOM 2292 O THR A 152 -3.134 12.210 12.263 1.00 2.19 O ATOM 2293 CB THR A 152 -2.627 9.198 10.986 1.00 2.34 C ATOM 2294 OG1 THR A 152 -1.428 9.727 11.546 1.00 3.28 O ATOM 2295 CG2 THR A 152 -2.162 8.482 9.717 1.00 2.50 C ATOM 0 H THR A 152 -1.810 10.920 9.506 1.00 2.13 H new ATOM 0 HA THR A 152 -4.427 10.102 10.273 1.00 2.07 H new ATOM 0 HB THR A 152 -3.202 8.506 11.602 1.00 2.34 H new ATOM 0 HG1 THR A 152 -0.821 8.992 11.773 1.00 3.28 H new ATOM 0 HG21 THR A 152 -1.565 7.611 9.988 1.00 2.50 H new ATOM 0 HG22 THR A 152 -3.030 8.161 9.141 1.00 2.50 H new ATOM 0 HG23 THR A 152 -1.559 9.162 9.116 1.00 2.50 H new ATOM 2303 N SER A 153 -4.901 10.837 12.584 1.00 2.20 N ATOM 2304 CA SER A 153 -5.441 11.601 13.696 1.00 2.67 C ATOM 2305 C SER A 153 -4.581 11.389 14.943 1.00 2.36 C ATOM 2306 O SER A 153 -4.746 12.087 15.941 1.00 2.89 O ATOM 2307 CB SER A 153 -6.892 11.211 13.980 1.00 3.38 C ATOM 2308 OG SER A 153 -6.995 9.904 14.537 1.00 3.66 O ATOM 0 H SER A 153 -5.414 9.983 12.365 1.00 2.20 H new ATOM 0 HA SER A 153 -5.424 12.657 13.425 1.00 2.67 H new ATOM 0 HB2 SER A 153 -7.334 11.933 14.667 1.00 3.38 H new ATOM 0 HB3 SER A 153 -7.467 11.257 13.055 1.00 3.38 H new ATOM 0 HG SER A 153 -6.921 9.237 13.823 1.00 3.66 H new ATOM 2314 N LYS A 154 -3.680 10.422 14.844 1.00 1.80 N ATOM 2315 CA LYS A 154 -2.793 10.108 15.952 1.00 1.66 C ATOM 2316 C LYS A 154 -1.498 9.504 15.406 1.00 1.56 C ATOM 2317 O LYS A 154 -0.675 10.210 14.825 1.00 1.76 O ATOM 2318 CB LYS A 154 -3.506 9.219 16.972 1.00 1.58 C ATOM 2319 CG LYS A 154 -4.523 8.304 16.288 1.00 2.69 C ATOM 2320 CD LYS A 154 -5.368 7.554 17.320 1.00 2.63 C ATOM 2321 CE LYS A 154 -6.560 8.399 17.772 1.00 3.38 C ATOM 2322 NZ LYS A 154 -7.573 8.483 16.696 1.00 5.30 N ATOM 0 H LYS A 154 -3.545 9.846 14.013 1.00 1.80 H new ATOM 0 HA LYS A 154 -2.519 11.015 16.491 1.00 1.66 H new ATOM 0 HB2 LYS A 154 -2.773 8.617 17.509 1.00 1.58 H new ATOM 0 HB3 LYS A 154 -4.011 9.841 17.711 1.00 1.58 H new ATOM 0 HG2 LYS A 154 -5.172 8.895 15.642 1.00 2.69 H new ATOM 0 HG3 LYS A 154 -4.003 7.589 15.650 1.00 2.69 H new ATOM 0 HD2 LYS A 154 -5.724 6.617 16.892 1.00 2.63 H new ATOM 0 HD3 LYS A 154 -4.752 7.297 18.182 1.00 2.63 H new ATOM 0 HE2 LYS A 154 -7.005 7.962 18.666 1.00 3.38 H new ATOM 0 HE3 LYS A 154 -6.223 9.400 18.041 1.00 3.38 H new ATOM 0 HZ1 LYS A 154 -8.505 8.685 17.111 1.00 5.30 H new ATOM 0 HZ2 LYS A 154 -7.316 9.245 16.036 1.00 5.30 H new ATOM 0 HZ3 LYS A 154 -7.611 7.579 16.183 1.00 5.30 H new ATOM 2336 N LYS A 155 -1.357 8.203 15.615 1.00 1.36 N ATOM 2337 CA LYS A 155 -0.117 7.522 15.281 1.00 1.27 C ATOM 2338 C LYS A 155 -0.435 6.122 14.751 1.00 1.21 C ATOM 2339 O LYS A 155 -1.054 5.318 15.447 1.00 1.49 O ATOM 2340 CB LYS A 155 0.836 7.525 16.478 1.00 1.36 C ATOM 2341 CG LYS A 155 2.280 7.294 16.030 1.00 2.07 C ATOM 2342 CD LYS A 155 2.943 8.609 15.616 1.00 3.13 C ATOM 2343 CE LYS A 155 4.225 8.350 14.821 1.00 4.34 C ATOM 2344 NZ LYS A 155 5.216 7.634 15.654 1.00 4.68 N ATOM 0 H LYS A 155 -2.080 7.603 16.011 1.00 1.36 H new ATOM 0 HA LYS A 155 0.406 8.053 14.486 1.00 1.27 H new ATOM 0 HB2 LYS A 155 0.762 8.477 17.003 1.00 1.36 H new ATOM 0 HB3 LYS A 155 0.542 6.748 17.184 1.00 1.36 H new ATOM 0 HG2 LYS A 155 2.847 6.836 16.841 1.00 2.07 H new ATOM 0 HG3 LYS A 155 2.298 6.595 15.194 1.00 2.07 H new ATOM 0 HD2 LYS A 155 2.250 9.196 15.014 1.00 3.13 H new ATOM 0 HD3 LYS A 155 3.174 9.199 16.503 1.00 3.13 H new ATOM 0 HE2 LYS A 155 3.996 7.762 13.932 1.00 4.34 H new ATOM 0 HE3 LYS A 155 4.645 9.296 14.478 1.00 4.34 H new ATOM 0 HZ1 LYS A 155 6.129 7.601 15.156 1.00 4.68 H new ATOM 0 HZ2 LYS A 155 5.333 8.132 16.559 1.00 4.68 H new ATOM 0 HZ3 LYS A 155 4.884 6.665 15.833 1.00 4.68 H new ATOM 2358 N ILE A 156 0.003 5.873 13.527 1.00 1.07 N ATOM 2359 CA ILE A 156 -0.134 4.553 12.936 1.00 1.02 C ATOM 2360 C ILE A 156 1.255 3.977 12.655 1.00 1.00 C ATOM 2361 O ILE A 156 2.131 4.678 12.153 1.00 1.23 O ATOM 2362 CB ILE A 156 -1.038 4.608 11.703 1.00 1.14 C ATOM 2363 CG1 ILE A 156 -2.222 5.550 11.932 1.00 1.67 C ATOM 2364 CG2 ILE A 156 -1.492 3.206 11.292 1.00 1.19 C ATOM 2365 CD1 ILE A 156 -3.210 4.953 12.936 1.00 1.29 C ATOM 0 H ILE A 156 0.454 6.564 12.927 1.00 1.07 H new ATOM 0 HA ILE A 156 -0.626 3.874 13.633 1.00 1.02 H new ATOM 0 HB ILE A 156 -0.459 5.015 10.874 1.00 1.14 H new ATOM 0 HG12 ILE A 156 -1.861 6.511 12.299 1.00 1.67 H new ATOM 0 HG13 ILE A 156 -2.729 5.740 10.986 1.00 1.67 H new ATOM 0 HG21 ILE A 156 -2.133 3.274 10.413 1.00 1.19 H new ATOM 0 HG22 ILE A 156 -0.620 2.595 11.058 1.00 1.19 H new ATOM 0 HG23 ILE A 156 -2.047 2.748 12.111 1.00 1.19 H new ATOM 0 HD11 ILE A 156 -4.042 5.642 13.081 1.00 1.29 H new ATOM 0 HD12 ILE A 156 -3.587 4.004 12.555 1.00 1.29 H new ATOM 0 HD13 ILE A 156 -2.706 4.787 13.888 1.00 1.29 H new ATOM 2377 N THR A 157 1.414 2.705 12.993 1.00 0.94 N ATOM 2378 CA THR A 157 2.688 2.034 12.801 1.00 0.97 C ATOM 2379 C THR A 157 2.466 0.591 12.341 1.00 0.89 C ATOM 2380 O THR A 157 1.375 0.046 12.501 1.00 1.01 O ATOM 2381 CB THR A 157 3.480 2.140 14.106 1.00 1.11 C ATOM 2382 OG1 THR A 157 2.571 1.679 15.103 1.00 1.24 O ATOM 2383 CG2 THR A 157 3.762 3.591 14.503 1.00 1.37 C ATOM 0 H THR A 157 0.682 2.122 13.398 1.00 0.94 H new ATOM 0 HA THR A 157 3.270 2.509 12.011 1.00 0.97 H new ATOM 0 HB THR A 157 4.422 1.601 14.003 1.00 1.11 H new ATOM 0 HG1 THR A 157 3.004 1.713 15.981 1.00 1.24 H new ATOM 0 HG21 THR A 157 4.326 3.610 15.435 1.00 1.37 H new ATOM 0 HG22 THR A 157 4.342 4.077 13.718 1.00 1.37 H new ATOM 0 HG23 THR A 157 2.819 4.121 14.639 1.00 1.37 H new ATOM 2391 N ILE A 158 3.518 0.014 11.781 1.00 0.89 N ATOM 2392 CA ILE A 158 3.455 -1.358 11.306 1.00 0.83 C ATOM 2393 C ILE A 158 4.146 -2.274 12.317 1.00 0.82 C ATOM 2394 O ILE A 158 5.362 -2.205 12.494 1.00 0.98 O ATOM 2395 CB ILE A 158 4.026 -1.462 9.891 1.00 0.93 C ATOM 2396 CG1 ILE A 158 3.472 -0.354 8.993 1.00 1.40 C ATOM 2397 CG2 ILE A 158 3.781 -2.852 9.302 1.00 1.04 C ATOM 2398 CD1 ILE A 158 4.330 -0.185 7.737 1.00 2.05 C ATOM 0 H ILE A 158 4.420 0.471 11.645 1.00 0.89 H new ATOM 0 HA ILE A 158 2.419 -1.689 11.231 1.00 0.83 H new ATOM 0 HB ILE A 158 5.105 -1.321 9.947 1.00 0.93 H new ATOM 0 HG12 ILE A 158 2.447 -0.590 8.708 1.00 1.40 H new ATOM 0 HG13 ILE A 158 3.441 0.585 9.545 1.00 1.40 H new ATOM 0 HG21 ILE A 158 4.197 -2.899 8.296 1.00 1.04 H new ATOM 0 HG22 ILE A 158 4.262 -3.603 9.929 1.00 1.04 H new ATOM 0 HG23 ILE A 158 2.709 -3.046 9.261 1.00 1.04 H new ATOM 0 HD11 ILE A 158 3.914 0.609 7.116 1.00 2.05 H new ATOM 0 HD12 ILE A 158 5.349 0.075 8.025 1.00 2.05 H new ATOM 0 HD13 ILE A 158 4.339 -1.118 7.174 1.00 2.05 H new ATOM 2410 N ALA A 159 3.342 -3.112 12.956 1.00 0.79 N ATOM 2411 CA ALA A 159 3.847 -3.980 14.005 1.00 0.82 C ATOM 2412 C ALA A 159 4.787 -5.021 13.392 1.00 0.79 C ATOM 2413 O ALA A 159 5.962 -5.090 13.750 1.00 0.91 O ATOM 2414 CB ALA A 159 2.672 -4.621 14.747 1.00 0.86 C ATOM 0 H ALA A 159 2.344 -3.208 12.767 1.00 0.79 H new ATOM 0 HA ALA A 159 4.420 -3.407 14.734 1.00 0.82 H new ATOM 0 HB1 ALA A 159 3.051 -5.273 15.534 1.00 0.86 H new ATOM 0 HB2 ALA A 159 2.051 -3.841 15.189 1.00 0.86 H new ATOM 0 HB3 ALA A 159 2.076 -5.206 14.047 1.00 0.86 H new ATOM 2420 N ASP A 160 4.234 -5.805 12.479 1.00 0.68 N ATOM 2421 CA ASP A 160 4.988 -6.884 11.862 1.00 0.68 C ATOM 2422 C ASP A 160 4.234 -7.390 10.631 1.00 0.65 C ATOM 2423 O ASP A 160 3.079 -7.027 10.414 1.00 0.63 O ATOM 2424 CB ASP A 160 5.158 -8.058 12.829 1.00 0.73 C ATOM 2425 CG ASP A 160 3.864 -8.554 13.476 1.00 2.02 C ATOM 2426 OD1 ASP A 160 3.092 -9.228 12.759 1.00 3.36 O ATOM 2427 OD2 ASP A 160 3.676 -8.251 14.674 1.00 2.71 O ATOM 0 H ASP A 160 3.272 -5.715 12.151 1.00 0.68 H new ATOM 0 HA ASP A 160 5.969 -6.496 11.588 1.00 0.68 H new ATOM 0 HB2 ASP A 160 5.620 -8.887 12.293 1.00 0.73 H new ATOM 0 HB3 ASP A 160 5.851 -7.763 13.617 1.00 0.73 H new ATOM 2432 N CYS A 161 4.919 -8.220 9.857 1.00 0.79 N ATOM 2433 CA CYS A 161 4.337 -8.755 8.638 1.00 0.86 C ATOM 2434 C CYS A 161 4.881 -10.170 8.429 1.00 0.97 C ATOM 2435 O CYS A 161 5.705 -10.644 9.210 1.00 1.22 O ATOM 2436 CB CYS A 161 4.617 -7.853 7.435 1.00 1.05 C ATOM 2437 SG CYS A 161 6.422 -7.710 7.165 1.00 2.40 S ATOM 0 H CYS A 161 5.870 -8.534 10.050 1.00 0.79 H new ATOM 0 HA CYS A 161 3.252 -8.794 8.735 1.00 0.86 H new ATOM 0 HB2 CYS A 161 4.139 -8.262 6.545 1.00 1.05 H new ATOM 0 HB3 CYS A 161 4.187 -6.866 7.603 1.00 1.05 H new ATOM 0 HG CYS A 161 6.833 -8.710 6.443 1.00 2.40 H new ATOM 2443 N GLY A 162 4.398 -10.805 7.371 1.00 0.93 N ATOM 2444 CA GLY A 162 4.890 -12.121 6.998 1.00 1.18 C ATOM 2445 C GLY A 162 4.165 -12.646 5.757 1.00 1.05 C ATOM 2446 O GLY A 162 3.187 -12.052 5.308 1.00 1.54 O ATOM 0 H GLY A 162 3.671 -10.433 6.760 1.00 0.93 H new ATOM 0 HA2 GLY A 162 5.961 -12.071 6.804 1.00 1.18 H new ATOM 0 HA3 GLY A 162 4.748 -12.815 7.827 1.00 1.18 H new ATOM 2450 N GLN A 163 4.673 -13.754 5.239 1.00 1.04 N ATOM 2451 CA GLN A 163 4.073 -14.378 4.072 1.00 0.99 C ATOM 2452 C GLN A 163 3.402 -15.697 4.461 1.00 1.04 C ATOM 2453 O GLN A 163 3.858 -16.384 5.374 1.00 1.19 O ATOM 2454 CB GLN A 163 5.114 -14.595 2.971 1.00 1.21 C ATOM 2455 CG GLN A 163 5.939 -15.855 3.239 1.00 2.06 C ATOM 2456 CD GLN A 163 6.924 -16.117 2.098 1.00 2.18 C ATOM 2457 OE1 GLN A 163 8.121 -15.913 2.217 1.00 2.99 O ATOM 2458 NE2 GLN A 163 6.356 -16.579 0.987 1.00 2.58 N ATOM 0 H GLN A 163 5.494 -14.236 5.606 1.00 1.04 H new ATOM 0 HA GLN A 163 3.309 -13.708 3.677 1.00 0.99 H new ATOM 0 HB2 GLN A 163 4.615 -14.681 2.006 1.00 1.21 H new ATOM 0 HB3 GLN A 163 5.774 -13.729 2.913 1.00 1.21 H new ATOM 0 HG2 GLN A 163 6.484 -15.745 4.177 1.00 2.06 H new ATOM 0 HG3 GLN A 163 5.275 -16.711 3.355 1.00 2.06 H new ATOM 0 HE21 GLN A 163 5.347 -16.728 0.954 1.00 2.58 H new ATOM 0 HE22 GLN A 163 6.929 -16.784 0.169 1.00 2.58 H new ATOM 2467 N LEU A 164 2.330 -16.012 3.749 1.00 1.05 N ATOM 2468 CA LEU A 164 1.605 -17.246 3.994 1.00 1.18 C ATOM 2469 C LEU A 164 1.797 -18.190 2.804 1.00 1.42 C ATOM 2470 O LEU A 164 0.893 -18.355 1.986 1.00 1.83 O ATOM 2471 CB LEU A 164 0.139 -16.952 4.315 1.00 1.07 C ATOM 2472 CG LEU A 164 -0.113 -15.909 5.405 1.00 0.90 C ATOM 2473 CD1 LEU A 164 -1.590 -15.510 5.452 1.00 1.02 C ATOM 2474 CD2 LEU A 164 0.391 -16.403 6.763 1.00 0.96 C ATOM 0 H LEU A 164 1.946 -15.433 3.002 1.00 1.05 H new ATOM 0 HA LEU A 164 2.003 -17.754 4.872 1.00 1.18 H new ATOM 0 HB2 LEU A 164 -0.353 -16.619 3.401 1.00 1.07 H new ATOM 0 HB3 LEU A 164 -0.341 -17.884 4.614 1.00 1.07 H new ATOM 0 HG LEU A 164 0.455 -15.012 5.157 1.00 0.90 H new ATOM 0 HD11 LEU A 164 -1.742 -14.767 6.235 1.00 1.02 H new ATOM 0 HD12 LEU A 164 -1.884 -15.088 4.491 1.00 1.02 H new ATOM 0 HD13 LEU A 164 -2.198 -16.390 5.663 1.00 1.02 H new ATOM 0 HD21 LEU A 164 0.200 -15.643 7.520 1.00 0.96 H new ATOM 0 HD22 LEU A 164 -0.129 -17.322 7.032 1.00 0.96 H new ATOM 0 HD23 LEU A 164 1.462 -16.596 6.705 1.00 0.96 H new ATOM 2486 N GLU A 165 2.980 -18.784 2.747 1.00 1.62 N ATOM 2487 CA GLU A 165 3.320 -19.667 1.643 1.00 1.94 C ATOM 2488 C GLU A 165 2.739 -21.061 1.881 1.00 2.56 C ATOM 2489 O GLU A 165 2.089 -21.625 1.002 1.00 3.31 O ATOM 2490 CB GLU A 165 4.835 -19.731 1.440 1.00 2.50 C ATOM 2491 CG GLU A 165 5.180 -20.023 -0.021 1.00 3.96 C ATOM 2492 CD GLU A 165 6.680 -19.855 -0.275 1.00 4.82 C ATOM 2493 OE1 GLU A 165 7.088 -18.701 -0.523 1.00 5.52 O ATOM 2494 OE2 GLU A 165 7.384 -20.886 -0.214 1.00 5.51 O ATOM 0 H GLU A 165 3.714 -18.672 3.446 1.00 1.62 H new ATOM 0 HA GLU A 165 2.881 -19.263 0.731 1.00 1.94 H new ATOM 0 HB2 GLU A 165 5.286 -18.786 1.742 1.00 2.50 H new ATOM 0 HB3 GLU A 165 5.259 -20.505 2.079 1.00 2.50 H new ATOM 0 HG2 GLU A 165 4.876 -21.039 -0.274 1.00 3.96 H new ATOM 0 HG3 GLU A 165 4.620 -19.351 -0.672 1.00 3.96 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.685 18.231 -4.354 1.00 1.13 N HETATM 2503 CA DAL B 201 -8.472 17.036 -4.606 1.00 1.06 C HETATM 2504 CB DAL B 201 -9.949 17.332 -4.333 1.00 1.11 C HETATM 2505 C DAL B 201 -7.939 15.888 -3.746 1.00 1.01 C HETATM 2506 O DAL B 201 -7.250 16.119 -2.753 1.00 1.04 O HETATM 0 HB3 DAL B 201 -10.073 17.636 -3.294 1.00 1.11 H new HETATM 0 HB2 DAL B 201 -10.287 18.134 -4.989 1.00 1.11 H new HETATM 0 HB1 DAL B 201 -10.541 16.436 -4.522 1.00 1.11 H new HETATM 0 HA DAL B 201 -8.387 16.733 -5.649 1.00 1.06 H new HETATM 0 H DAL B 201 -8.144 19.088 -4.044 1.00 1.13 H new HETATM 2512 N MLE B 202 -8.278 14.676 -4.159 1.00 1.03 N HETATM 2513 CN MLE B 202 -9.194 14.345 -5.684 1.00 1.15 C HETATM 2514 CA MLE B 202 -7.923 13.497 -3.387 1.00 1.10 C HETATM 2515 CB MLE B 202 -9.179 12.828 -2.823 1.00 1.22 C HETATM 2516 CG MLE B 202 -10.270 13.771 -2.315 1.00 1.16 C HETATM 2517 CD1 MLE B 202 -11.567 13.010 -2.036 1.00 1.95 C HETATM 2518 CD2 MLE B 202 -9.791 14.555 -1.091 1.00 1.43 C HETATM 2519 C MLE B 202 -7.066 12.568 -4.248 1.00 1.11 C HETATM 2520 O MLE B 202 -7.532 11.518 -4.691 1.00 1.17 O HETATM 0 HD23 MLE B 202 -9.531 13.860 -0.293 1.00 1.43 H new HETATM 0 HD22 MLE B 202 -8.915 15.146 -1.358 1.00 1.43 H new HETATM 0 HD21 MLE B 202 -10.586 15.218 -0.750 1.00 1.43 H new HETATM 0 HD13 MLE B 202 -11.915 12.536 -2.954 1.00 1.95 H new HETATM 0 HD12 MLE B 202 -11.385 12.247 -1.279 1.00 1.95 H new HETATM 0 HD11 MLE B 202 -12.326 13.704 -1.676 1.00 1.95 H new HETATM 0 HN3 MLE B 202 -8.594 13.713 -6.339 1.00 1.15 H new HETATM 0 HN2 MLE B 202 -10.128 13.837 -5.444 1.00 1.15 H new HETATM 0 HN1 MLE B 202 -9.412 15.286 -6.189 1.00 1.15 H new HETATM 0 HG MLE B 202 -10.485 14.497 -3.099 1.00 1.16 H new HETATM 0 HB3 MLE B 202 -9.608 12.193 -3.598 1.00 1.22 H new HETATM 0 HB2 MLE B 202 -8.881 12.174 -2.003 1.00 1.22 H new HETATM 0 HA MLE B 202 -7.322 13.775 -2.522 1.00 1.10 H new HETATM 2531 N MLE B 203 -5.828 12.987 -4.462 1.00 1.07 N HETATM 2532 CN MLE B 203 -5.169 14.555 -3.845 1.00 1.05 C HETATM 2533 CA MLE B 203 -4.889 12.187 -5.229 1.00 1.08 C HETATM 2534 CB MLE B 203 -4.185 13.048 -6.281 1.00 1.05 C HETATM 2535 CG MLE B 203 -5.088 13.958 -7.116 1.00 1.01 C HETATM 2536 CD1 MLE B 203 -4.298 14.628 -8.242 1.00 1.01 C HETATM 2537 CD2 MLE B 203 -6.302 13.190 -7.645 1.00 1.01 C HETATM 2538 C MLE B 203 -3.929 11.476 -4.273 1.00 1.13 C HETATM 2539 O MLE B 203 -3.740 11.913 -3.140 1.00 1.18 O HETATM 0 HD23 MLE B 203 -5.965 12.363 -8.270 1.00 1.01 H new HETATM 0 HD22 MLE B 203 -6.879 12.799 -6.807 1.00 1.01 H new HETATM 0 HD21 MLE B 203 -6.927 13.860 -8.235 1.00 1.01 H new HETATM 0 HD13 MLE B 203 -3.495 15.229 -7.815 1.00 1.01 H new HETATM 0 HD12 MLE B 203 -3.873 13.864 -8.893 1.00 1.01 H new HETATM 0 HD11 MLE B 203 -4.962 15.269 -8.821 1.00 1.01 H new HETATM 0 HN3 MLE B 203 -4.318 14.360 -3.192 1.00 1.05 H new HETATM 0 HN2 MLE B 203 -4.848 15.171 -4.685 1.00 1.05 H new HETATM 0 HN1 MLE B 203 -5.943 15.080 -3.286 1.00 1.05 H new HETATM 0 HG MLE B 203 -5.466 14.751 -6.471 1.00 1.01 H new HETATM 0 HB3 MLE B 203 -3.444 13.668 -5.777 1.00 1.05 H new HETATM 0 HB2 MLE B 203 -3.642 12.388 -6.958 1.00 1.05 H new HETATM 0 HA MLE B 203 -5.416 11.412 -5.786 1.00 1.08 H new HETATM 2550 N MVA B 204 -3.346 10.393 -4.767 1.00 1.14 N HETATM 2551 CN MVA B 204 -3.632 9.762 -6.439 1.00 1.15 C HETATM 2552 CA MVA B 204 -2.412 9.618 -3.969 1.00 1.19 C HETATM 2553 CB MVA B 204 -2.998 8.235 -3.672 1.00 1.24 C HETATM 2554 CG1 MVA B 204 -2.329 7.607 -2.448 1.00 1.51 C HETATM 2555 CG2 MVA B 204 -4.515 8.311 -3.491 1.00 1.03 C HETATM 2556 C MVA B 204 -1.064 9.552 -4.690 1.00 1.19 C HETATM 2557 O MVA B 204 -0.752 8.558 -5.344 1.00 1.22 O HETATM 0 HG23 MVA B 204 -4.749 8.976 -2.660 1.00 1.03 H new HETATM 0 HG22 MVA B 204 -4.971 8.696 -4.403 1.00 1.03 H new HETATM 0 HG21 MVA B 204 -4.907 7.316 -3.281 1.00 1.03 H new HETATM 0 HG13 MVA B 204 -1.260 7.501 -2.632 1.00 1.51 H new HETATM 0 HG12 MVA B 204 -2.486 8.246 -1.579 1.00 1.51 H new HETATM 0 HG11 MVA B 204 -2.764 6.625 -2.259 1.00 1.51 H new HETATM 0 HN3 MVA B 204 -2.691 9.747 -6.988 1.00 1.15 H new HETATM 0 HN2 MVA B 204 -4.035 8.751 -6.382 1.00 1.15 H new HETATM 0 HN1 MVA B 204 -4.343 10.407 -6.955 1.00 1.15 H new HETATM 0 HB MVA B 204 -2.795 7.593 -4.529 1.00 1.24 H new HETATM 0 HA MVA B 204 -2.243 10.099 -3.006 1.00 1.19 H new HETATM 2566 N BMT B 205 -0.375 10.741 -4.736 1.00 1.17 N HETATM 2567 CN BMT B 205 -0.591 11.909 -3.371 1.00 1.26 C HETATM 2568 CA BMT B 205 0.919 10.798 -5.393 1.00 1.19 C HETATM 2569 C BMT B 205 2.046 10.706 -4.362 1.00 1.21 C HETATM 2570 O BMT B 205 1.793 10.489 -3.179 1.00 1.30 O HETATM 2571 CB BMT B 205 0.967 12.076 -6.233 1.00 1.32 C HETATM 2572 OG1 BMT B 205 0.217 13.020 -5.472 1.00 1.64 O HETATM 2573 CG2 BMT B 205 0.186 11.947 -7.542 1.00 0.92 C HETATM 2574 CD1 BMT B 205 -1.037 11.047 -7.346 1.00 1.84 C HETATM 2575 CD2 BMT B 205 0.991 11.599 -8.719 1.00 1.81 C HETATM 2576 CE BMT B 205 1.756 12.667 -9.340 1.00 1.31 C HETATM 2577 CZ BMT B 205 2.825 13.256 -8.978 1.00 1.52 C HETATM 2578 CH BMT B 205 3.569 14.410 -9.603 1.00 1.20 C HETATM 0 HD23 BMT B 205 1.685 10.809 -8.432 1.00 1.81 H new HETATM 0 HD22 BMT B 205 0.324 11.179 -9.472 1.00 1.81 H new HETATM 0 HD13 BMT B 205 -0.712 10.057 -7.027 1.00 1.84 H new HETATM 0 HD12 BMT B 205 -1.688 11.478 -6.585 1.00 1.84 H new HETATM 0 HD11 BMT B 205 -1.583 10.965 -8.286 1.00 1.84 H new HETATM 0 HZ BMT B 205 3.277 12.862 -8.068 1.00 1.52 H new HETATM 0 HN3 BMT B 205 0.158 11.714 -2.603 1.00 1.26 H new HETATM 0 HN2 BMT B 205 -0.474 12.927 -3.742 1.00 1.26 H new HETATM 0 HN1 BMT B 205 -1.587 11.790 -2.945 1.00 1.26 H new HETATM 0 HH3 BMT B 205 3.877 14.140 -10.613 1.00 1.20 H new HETATM 0 HH2 BMT B 205 2.918 15.283 -9.643 1.00 1.20 H new HETATM 0 HH1 BMT B 205 4.450 14.641 -9.005 1.00 1.20 H new HETATM 0 HG2 BMT B 205 -0.166 12.949 -7.788 1.00 0.92 H new HETATM 0 HG1 BMT B 205 0.304 13.909 -5.876 1.00 1.64 H new HETATM 0 HE BMT B 205 1.342 13.027 -10.282 1.00 1.31 H new HETATM 0 HB BMT B 205 2.005 12.326 -6.454 1.00 1.32 H new HETATM 0 HA BMT B 205 1.061 9.948 -6.060 1.00 1.19 H new HETATM 2593 N ABA B 206 3.266 10.874 -4.851 1.00 1.17 N HETATM 2594 CA ABA B 206 4.434 10.787 -3.991 1.00 1.29 C HETATM 2595 C ABA B 206 5.411 11.924 -4.302 1.00 1.32 C HETATM 2596 O ABA B 206 6.452 11.701 -4.918 1.00 1.39 O HETATM 2597 CB ABA B 206 5.046 9.396 -4.163 1.00 1.39 C HETATM 2598 CG ABA B 206 4.017 8.278 -3.987 1.00 1.52 C HETATM 0 HG3 ABA B 206 3.227 8.391 -4.729 1.00 1.52 H new HETATM 0 HG2 ABA B 206 3.587 8.334 -2.987 1.00 1.52 H new HETATM 0 HG1 ABA B 206 4.504 7.312 -4.119 1.00 1.52 H new HETATM 0 HB3 ABA B 206 5.849 9.264 -3.438 1.00 1.39 H new HETATM 0 HB2 ABA B 206 5.495 9.320 -5.153 1.00 1.39 H new HETATM 0 HA ABA B 206 4.163 10.911 -2.942 1.00 1.29 H new HETATM 0 H ABA B 206 3.194 11.624 -5.539 1.00 1.17 H new HETATM 2606 N SAR B 207 5.041 13.117 -3.861 1.00 1.31 N HETATM 2607 CA SAR B 207 5.901 14.315 -4.076 1.00 1.39 C HETATM 2608 C SAR B 207 5.305 15.726 -3.929 1.00 1.40 C HETATM 2609 O SAR B 207 5.809 16.677 -3.351 1.00 1.53 O HETATM 2610 CN SAR B 207 3.424 13.202 -2.980 1.00 1.26 C HETATM 0 HN3 SAR B 207 3.581 13.566 -1.965 1.00 1.26 H new HETATM 0 HN2 SAR B 207 2.756 13.881 -3.510 1.00 1.26 H new HETATM 0 HN1 SAR B 207 2.977 12.209 -2.944 1.00 1.26 H new HETATM 0 HA3 SAR B 207 6.738 14.242 -3.381 1.00 1.39 H new HETATM 0 HA2 SAR B 207 6.315 14.241 -5.082 1.00 1.39 H new HETATM 2613 N MLE B 208 4.122 15.896 -4.501 1.00 1.30 N HETATM 2614 CN MLE B 208 3.016 14.819 -5.448 1.00 1.21 C HETATM 2615 CA MLE B 208 3.639 17.251 -4.304 1.00 1.36 C HETATM 2616 CB MLE B 208 4.367 18.220 -5.238 1.00 1.38 C HETATM 2617 CG MLE B 208 4.594 17.730 -6.669 1.00 1.80 C HETATM 2618 CD1 MLE B 208 5.562 16.545 -6.695 1.00 3.43 C HETATM 2619 CD2 MLE B 208 3.266 17.401 -7.352 1.00 2.51 C HETATM 2620 C MLE B 208 2.117 17.273 -4.461 1.00 1.29 C HETATM 2621 O MLE B 208 1.596 17.831 -5.426 1.00 1.45 O HETATM 0 HD23 MLE B 208 2.753 16.619 -6.792 1.00 2.51 H new HETATM 0 HD22 MLE B 208 2.642 18.294 -7.383 1.00 2.51 H new HETATM 0 HD21 MLE B 208 3.455 17.055 -8.368 1.00 2.51 H new HETATM 0 HD13 MLE B 208 6.520 16.849 -6.273 1.00 3.43 H new HETATM 0 HD12 MLE B 208 5.150 15.726 -6.106 1.00 3.43 H new HETATM 0 HD11 MLE B 208 5.706 16.216 -7.724 1.00 3.43 H new HETATM 0 HN3 MLE B 208 2.059 14.737 -4.933 1.00 1.21 H new HETATM 0 HN2 MLE B 208 2.859 15.241 -6.440 1.00 1.21 H new HETATM 0 HN1 MLE B 208 3.464 13.830 -5.541 1.00 1.21 H new HETATM 0 HG MLE B 208 5.057 18.536 -7.238 1.00 1.80 H new HETATM 0 HB3 MLE B 208 3.799 19.149 -5.279 1.00 1.38 H new HETATM 0 HB2 MLE B 208 5.336 18.458 -4.799 1.00 1.38 H new HETATM 0 HA MLE B 208 3.861 17.591 -3.293 1.00 1.36 H new ATOM 2632 N VAL B 209 1.445 16.660 -3.498 1.00 1.18 N ATOM 2633 CA VAL B 209 0.008 16.472 -3.590 1.00 1.10 C ATOM 2634 C VAL B 209 -0.652 17.797 -3.975 1.00 1.17 C ATOM 2635 O VAL B 209 -0.337 18.840 -3.405 1.00 1.35 O ATOM 2636 CB VAL B 209 -0.531 15.896 -2.278 1.00 1.21 C ATOM 2637 CG1 VAL B 209 -2.030 15.611 -2.378 1.00 1.14 C ATOM 2638 CG2 VAL B 209 0.241 14.638 -1.875 1.00 1.26 C ATOM 0 H VAL B 209 1.870 16.287 -2.649 1.00 1.18 H new ATOM 0 HA VAL B 209 -0.232 15.749 -4.370 1.00 1.10 H new ATOM 0 HB VAL B 209 -0.385 16.644 -1.499 1.00 1.21 H new ATOM 0 HG11 VAL B 209 -2.387 15.203 -1.432 1.00 1.14 H new ATOM 0 HG12 VAL B 209 -2.562 16.536 -2.597 1.00 1.14 H new ATOM 0 HG13 VAL B 209 -2.211 14.890 -3.176 1.00 1.14 H new ATOM 0 HG21 VAL B 209 -0.161 14.248 -0.940 1.00 1.26 H new ATOM 0 HG22 VAL B 209 0.141 13.884 -2.656 1.00 1.26 H new ATOM 0 HG23 VAL B 209 1.294 14.885 -1.742 1.00 1.26 H new HETATM 2648 N MLE B 210 -1.556 17.713 -4.941 1.00 1.07 N HETATM 2649 CN MLE B 210 -1.955 16.184 -5.823 1.00 0.88 C HETATM 2650 CA MLE B 210 -2.308 18.881 -5.366 1.00 1.21 C HETATM 2651 CB MLE B 210 -2.258 19.025 -6.889 1.00 1.27 C HETATM 2652 CG MLE B 210 -0.888 18.817 -7.538 1.00 1.30 C HETATM 2653 CD1 MLE B 210 -1.021 18.627 -9.051 1.00 1.40 C HETATM 2654 CD2 MLE B 210 0.065 19.962 -7.186 1.00 1.53 C HETATM 2655 C MLE B 210 -3.727 18.802 -4.802 1.00 1.18 C HETATM 2656 O MLE B 210 -4.042 17.900 -4.025 1.00 1.08 O HETATM 0 HD23 MLE B 210 -0.351 20.904 -7.543 1.00 1.53 H new HETATM 0 HD22 MLE B 210 0.194 20.008 -6.105 1.00 1.53 H new HETATM 0 HD21 MLE B 210 1.031 19.790 -7.660 1.00 1.53 H new HETATM 0 HD13 MLE B 210 -1.640 17.754 -9.255 1.00 1.40 H new HETATM 0 HD12 MLE B 210 -1.485 19.511 -9.489 1.00 1.40 H new HETATM 0 HD11 MLE B 210 -0.033 18.481 -9.488 1.00 1.40 H new HETATM 0 HN3 MLE B 210 -3.009 15.946 -5.679 1.00 0.88 H new HETATM 0 HN2 MLE B 210 -1.754 16.314 -6.886 1.00 0.88 H new HETATM 0 HN1 MLE B 210 -1.343 15.370 -5.435 1.00 0.88 H new HETATM 0 HG MLE B 210 -0.455 17.902 -7.135 1.00 1.30 H new HETATM 0 HB3 MLE B 210 -2.957 18.311 -7.325 1.00 1.27 H new HETATM 0 HB2 MLE B 210 -2.615 20.021 -7.152 1.00 1.27 H new HETATM 0 HA MLE B 210 -1.857 19.790 -4.968 1.00 1.21 H new ATOM 2667 N ALA B 211 -4.549 19.756 -5.215 1.00 1.31 N ATOM 2668 CA ALA B 211 -5.918 19.826 -4.733 1.00 1.30 C ATOM 2669 C ALA B 211 -6.660 18.549 -5.131 1.00 1.12 C ATOM 2670 O ALA B 211 -6.299 17.897 -6.110 1.00 1.10 O ATOM 2671 CB ALA B 211 -6.588 21.086 -5.283 1.00 1.52 C ATOM 0 H ALA B 211 -4.293 20.487 -5.878 1.00 1.31 H new ATOM 0 HA ALA B 211 -5.940 19.894 -3.645 1.00 1.30 H new ATOM 0 HB1 ALA B 211 -7.615 21.139 -4.922 1.00 1.52 H new ATOM 0 HB2 ALA B 211 -6.039 21.966 -4.947 1.00 1.52 H new ATOM 0 HB3 ALA B 211 -6.588 21.052 -6.372 1.00 1.52 H new TER 2677 ALA B 211