USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=44 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 49 LYS NZ :NH3+ 166:sc= -0.216 (180deg=-0.53) USER MOD Set 1.2: A 161 CYS SG : rot 170:sc= -0.256 USER MOD Set 2.1: A 153 SER OG : rot 180:sc= 0.379 USER MOD Set 2.2: A 154 LYS NZ :NH3+ -132:sc= 1.97 (180deg=-1.27) USER MOD Set 3.1: A 147 SER OG : rot 147:sc= 0.652 USER MOD Set 3.2: A 149 ASN : amide:sc= 2.28 K(o=2.9,f=-2.9!) USER MOD Set 4.1: A 99 SER OG : rot -48:sc= 1.2 USER MOD Set 4.2: A 115 CYS SG : rot 170:sc= 0 USER MOD Set 4.3: A 119 THR OG1 : rot 53:sc= 0.786 USER MOD Set 5.1: A 100 MET CE :methyl -142:sc= -1.34 (180deg=-0.0798) USER MOD Set 5.2: A 102 ASN : amide:sc= 0.952 K(o=-1.5,f=-3.7) USER MOD Set 5.3: A 108 ASN : amide:sc= -1.15 K(o=-1.5,f=-5!) USER MOD Set 6.1: A 35 ASN : amide:sc= 2.18 K(o=4.2,f=-4!) USER MOD Set 6.2: A 77 SER OG : rot 51:sc= 0.437 USER MOD Set 6.3: A 110 SER OG : rot 98:sc= 1.59 USER MOD Set 7.1: A 5 THR OG1 : rot -57:sc= 0.713 USER MOD Set 7.2: A 133 LYS NZ :NH3+ 153:sc= 1.07 (180deg=-1.02) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -2.76! (180deg=-3.98!) USER MOD Single : A 3 ASN :FLIP amide:sc= 0.363 F(o=-0.22,f=0.36) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.258 (180deg=-0.374) USER MOD Single : A 32 THR OG1 : rot -164:sc= 1.48 USER MOD Single : A 40 SER OG : rot 79:sc= 1.17 USER MOD Single : A 41 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -49:sc= 0.0373 USER MOD Single : A 51 SER OG : rot -90:sc= -0.945 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -0.609 K(o=-0.61,f=-4.5!) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.499 (180deg=-0.499) USER MOD Single : A 62 CYS SG : rot -125:sc= -2.87! USER MOD Single : A 63 GLN : amide:sc= -2.02 K(o=-2,f=-3.1) USER MOD Single : A 68 THR OG1 : rot -132:sc= -0.848! USER MOD Single : A 70 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.59) USER MOD Single : A 71 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 146:sc= 1.12 USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= 0.937 (180deg=-0.572) USER MOD Single : A 87 ASN : amide:sc= 1.33 K(o=1.3,f=-6.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-6.9!) USER MOD Single : A 93 THR OG1 : rot 140:sc= -0.119 USER MOD Single : A 106 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.4!) USER MOD Single : A 107 THR OG1 : rot -88:sc= 1.45 USER MOD Single : A 111 GLN : amide:sc= -0.0474 K(o=-0.047,f=-0.56) USER MOD Single : A 116 THR OG1 : rot 162:sc= 0.804 USER MOD Single : A 118 LYS NZ :NH3+ -161:sc= 1.14 (180deg=0.7) USER MOD Single : A 125 LYS NZ :NH3+ 137:sc= 1.34 (180deg=0.67) USER MOD Single : A 126 HIS : no HE2:sc= -3.09! C(o=-3.1!,f=-3.5!) USER MOD Single : A 131 LYS NZ :NH3+ 150:sc= 0.394 (180deg=-0.755) USER MOD Single : A 136 MET CE :methyl 176:sc= 0 (180deg=-0.00406) USER MOD Single : A 137 ASN : amide:sc= -0.697 K(o=-0.7,f=-1.4) USER MOD Single : A 142 MET CE :methyl -167:sc= 0 (180deg=-0.195) USER MOD Single : A 151 LYS NZ :NH3+ -169:sc= 1.58 (180deg=0.76) USER MOD Single : A 152 THR OG1 : rot 111:sc= 1.25! USER MOD Single : A 155 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0268) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0.513 K(o=0.51,f=-3.9!) USER MOD Single : B 205 BMT OG1 : rot -134:sc= -7.23! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.924 -16.795 -6.919 1.00 7.13 N ATOM 2 CA MET A 1 5.124 -16.768 -8.358 1.00 7.02 C ATOM 3 C MET A 1 3.814 -17.039 -9.099 1.00 5.70 C ATOM 4 O MET A 1 3.817 -17.279 -10.306 1.00 6.26 O ATOM 5 CB MET A 1 6.160 -17.823 -8.750 1.00 7.71 C ATOM 6 CG MET A 1 5.664 -19.230 -8.409 1.00 7.42 C ATOM 7 SD MET A 1 7.012 -20.397 -8.522 1.00 8.76 S ATOM 8 CE MET A 1 7.715 -20.216 -6.892 1.00 9.95 C ATOM 0 H1 MET A 1 5.837 -16.949 -6.444 1.00 7.13 H new ATOM 0 H2 MET A 1 4.520 -15.889 -6.608 1.00 7.13 H new ATOM 0 H3 MET A 1 4.272 -17.567 -6.674 1.00 7.13 H new ATOM 0 HA MET A 1 5.479 -15.776 -8.637 1.00 7.02 H new ATOM 0 HB2 MET A 1 6.367 -17.755 -9.818 1.00 7.71 H new ATOM 0 HB3 MET A 1 7.098 -17.628 -8.230 1.00 7.71 H new ATOM 0 HG2 MET A 1 5.244 -19.243 -7.403 1.00 7.42 H new ATOM 0 HG3 MET A 1 4.864 -19.518 -9.092 1.00 7.42 H new ATOM 0 HE1 MET A 1 8.574 -20.879 -6.791 1.00 9.95 H new ATOM 0 HE2 MET A 1 8.034 -19.184 -6.746 1.00 9.95 H new ATOM 0 HE3 MET A 1 6.967 -20.474 -6.142 1.00 9.95 H new ATOM 18 N VAL A 2 2.724 -16.991 -8.348 1.00 4.66 N ATOM 19 CA VAL A 2 1.405 -17.167 -8.929 1.00 4.00 C ATOM 20 C VAL A 2 0.440 -16.152 -8.311 1.00 3.21 C ATOM 21 O VAL A 2 0.012 -15.212 -8.977 1.00 4.21 O ATOM 22 CB VAL A 2 0.943 -18.615 -8.752 1.00 3.86 C ATOM 23 CG1 VAL A 2 0.984 -19.370 -10.082 1.00 5.01 C ATOM 24 CG2 VAL A 2 1.780 -19.331 -7.690 1.00 4.18 C ATOM 0 H VAL A 2 2.728 -16.832 -7.340 1.00 4.66 H new ATOM 0 HA VAL A 2 1.433 -16.978 -10.002 1.00 4.00 H new ATOM 0 HB VAL A 2 -0.091 -18.597 -8.408 1.00 3.86 H new ATOM 0 HG11 VAL A 2 0.651 -20.396 -9.928 1.00 5.01 H new ATOM 0 HG12 VAL A 2 0.327 -18.879 -10.800 1.00 5.01 H new ATOM 0 HG13 VAL A 2 2.004 -19.373 -10.467 1.00 5.01 H new ATOM 0 HG21 VAL A 2 1.431 -20.358 -7.584 1.00 4.18 H new ATOM 0 HG22 VAL A 2 2.827 -19.333 -7.992 1.00 4.18 H new ATOM 0 HG23 VAL A 2 1.679 -18.813 -6.736 1.00 4.18 H new ATOM 34 N ASN A 3 0.126 -16.379 -7.043 1.00 2.00 N ATOM 35 CA ASN A 3 -0.729 -15.462 -6.309 1.00 1.34 C ATOM 36 C ASN A 3 -0.691 -15.817 -4.822 1.00 1.10 C ATOM 37 O ASN A 3 -1.648 -16.377 -4.288 1.00 1.25 O ATOM 38 CB ASN A 3 -2.180 -15.566 -6.783 1.00 1.08 C ATOM 39 CG ASN A 3 -2.515 -16.993 -7.218 1.00 1.75 C ATOM 40 OD1 ASN A 3 -2.509 -17.174 -8.535 1.00 3.54 O flip ATOM 41 ND2 ASN A 3 -2.763 -17.875 -6.410 1.00 1.87 N flip ATOM 0 H ASN A 3 0.448 -17.184 -6.506 1.00 2.00 H new ATOM 0 HA ASN A 3 -0.365 -14.449 -6.480 1.00 1.34 H new ATOM 0 HB2 ASN A 3 -2.851 -15.260 -5.980 1.00 1.08 H new ATOM 0 HB3 ASN A 3 -2.344 -14.881 -7.615 1.00 1.08 H new ATOM 0 HD21 ASN A 3 -2.751 -17.670 -5.411 1.00 1.87 H new ATOM 0 HD22 ASN A 3 -2.982 -18.817 -6.734 1.00 1.87 H new ATOM 48 N PRO A 4 0.454 -15.467 -4.176 1.00 0.96 N ATOM 49 CA PRO A 4 0.635 -15.754 -2.763 1.00 0.92 C ATOM 50 C PRO A 4 -0.187 -14.796 -1.899 1.00 0.81 C ATOM 51 O PRO A 4 -0.732 -13.814 -2.401 1.00 0.96 O ATOM 52 CB PRO A 4 2.131 -15.634 -2.526 1.00 1.17 C ATOM 53 CG PRO A 4 2.676 -14.832 -3.697 1.00 1.31 C ATOM 54 CD PRO A 4 1.602 -14.789 -4.772 1.00 1.17 C ATOM 0 HA PRO A 4 0.280 -16.747 -2.486 1.00 0.92 H new ATOM 0 HB2 PRO A 4 2.338 -15.133 -1.580 1.00 1.17 H new ATOM 0 HB3 PRO A 4 2.598 -16.617 -2.475 1.00 1.17 H new ATOM 0 HG2 PRO A 4 2.939 -13.823 -3.379 1.00 1.31 H new ATOM 0 HG3 PRO A 4 3.586 -15.291 -4.084 1.00 1.31 H new ATOM 0 HD2 PRO A 4 1.357 -13.763 -5.047 1.00 1.17 H new ATOM 0 HD3 PRO A 4 1.931 -15.292 -5.681 1.00 1.17 H new ATOM 62 N THR A 5 -0.250 -15.113 -0.615 1.00 0.81 N ATOM 63 CA THR A 5 -0.959 -14.269 0.332 1.00 0.75 C ATOM 64 C THR A 5 -0.036 -13.869 1.485 1.00 0.78 C ATOM 65 O THR A 5 0.832 -14.643 1.888 1.00 0.88 O ATOM 66 CB THR A 5 -2.212 -15.019 0.789 1.00 0.83 C ATOM 67 OG1 THR A 5 -3.224 -14.589 -0.117 1.00 1.33 O ATOM 68 CG2 THR A 5 -2.711 -14.547 2.156 1.00 1.04 C ATOM 0 H THR A 5 0.179 -15.944 -0.207 1.00 0.81 H new ATOM 0 HA THR A 5 -1.274 -13.334 -0.131 1.00 0.75 H new ATOM 0 HB THR A 5 -2.001 -16.088 0.829 1.00 0.83 H new ATOM 0 HG1 THR A 5 -3.300 -13.613 -0.083 1.00 1.33 H new ATOM 0 HG21 THR A 5 -3.602 -15.111 2.433 1.00 1.04 H new ATOM 0 HG22 THR A 5 -1.933 -14.707 2.903 1.00 1.04 H new ATOM 0 HG23 THR A 5 -2.954 -13.486 2.108 1.00 1.04 H new ATOM 76 N VAL A 6 -0.254 -12.661 1.984 1.00 0.79 N ATOM 77 CA VAL A 6 0.588 -12.124 3.040 1.00 0.82 C ATOM 78 C VAL A 6 -0.291 -11.439 4.087 1.00 0.77 C ATOM 79 O VAL A 6 -1.407 -11.017 3.787 1.00 0.76 O ATOM 80 CB VAL A 6 1.643 -11.192 2.442 1.00 0.87 C ATOM 81 CG1 VAL A 6 2.714 -10.843 3.479 1.00 2.53 C ATOM 82 CG2 VAL A 6 2.272 -11.805 1.189 1.00 2.45 C ATOM 0 H VAL A 6 -1.002 -12.039 1.677 1.00 0.79 H new ATOM 0 HA VAL A 6 1.129 -12.925 3.544 1.00 0.82 H new ATOM 0 HB VAL A 6 1.146 -10.268 2.147 1.00 0.87 H new ATOM 0 HG11 VAL A 6 3.453 -10.179 3.030 1.00 2.53 H new ATOM 0 HG12 VAL A 6 2.248 -10.345 4.329 1.00 2.53 H new ATOM 0 HG13 VAL A 6 3.204 -11.756 3.817 1.00 2.53 H new ATOM 0 HG21 VAL A 6 3.018 -11.121 0.785 1.00 2.45 H new ATOM 0 HG22 VAL A 6 2.748 -12.751 1.447 1.00 2.45 H new ATOM 0 HG23 VAL A 6 1.498 -11.980 0.442 1.00 2.45 H new ATOM 92 N PHE A 7 0.245 -11.348 5.296 1.00 0.90 N ATOM 93 CA PHE A 7 -0.455 -10.676 6.376 1.00 0.87 C ATOM 94 C PHE A 7 0.410 -9.569 6.984 1.00 0.70 C ATOM 95 O PHE A 7 1.635 -9.675 7.007 1.00 0.84 O ATOM 96 CB PHE A 7 -0.741 -11.730 7.449 1.00 1.16 C ATOM 97 CG PHE A 7 0.486 -12.129 8.271 1.00 0.95 C ATOM 98 CD1 PHE A 7 0.849 -11.390 9.353 1.00 2.13 C ATOM 99 CD2 PHE A 7 1.213 -13.224 7.920 1.00 2.02 C ATOM 100 CE1 PHE A 7 1.988 -11.761 10.117 1.00 2.24 C ATOM 101 CE2 PHE A 7 2.351 -13.595 8.684 1.00 2.34 C ATOM 102 CZ PHE A 7 2.715 -12.856 9.765 1.00 1.65 C ATOM 0 H PHE A 7 1.156 -11.729 5.550 1.00 0.90 H new ATOM 0 HA PHE A 7 -1.371 -10.220 5.999 1.00 0.87 H new ATOM 0 HB2 PHE A 7 -1.509 -11.349 8.123 1.00 1.16 H new ATOM 0 HB3 PHE A 7 -1.150 -12.620 6.970 1.00 1.16 H new ATOM 0 HD1 PHE A 7 0.272 -10.521 9.632 1.00 2.13 H new ATOM 0 HD2 PHE A 7 0.925 -13.811 7.060 1.00 2.02 H new ATOM 0 HE1 PHE A 7 2.277 -11.174 10.977 1.00 2.24 H new ATOM 0 HE2 PHE A 7 2.928 -14.465 8.406 1.00 2.34 H new ATOM 0 HZ PHE A 7 3.581 -13.138 10.345 1.00 1.65 H new ATOM 112 N PHE A 8 -0.263 -8.533 7.463 1.00 0.63 N ATOM 113 CA PHE A 8 0.425 -7.431 8.114 1.00 0.68 C ATOM 114 C PHE A 8 -0.325 -6.981 9.370 1.00 0.65 C ATOM 115 O PHE A 8 -1.549 -6.856 9.355 1.00 0.77 O ATOM 116 CB PHE A 8 0.460 -6.273 7.113 1.00 0.99 C ATOM 117 CG PHE A 8 1.365 -6.522 5.905 1.00 1.33 C ATOM 118 CD1 PHE A 8 0.919 -7.281 4.868 1.00 2.71 C ATOM 119 CD2 PHE A 8 2.613 -5.985 5.868 1.00 2.28 C ATOM 120 CE1 PHE A 8 1.759 -7.512 3.746 1.00 3.74 C ATOM 121 CE2 PHE A 8 3.453 -6.216 4.747 1.00 3.19 C ATOM 122 CZ PHE A 8 3.008 -6.974 3.709 1.00 3.63 C ATOM 0 H PHE A 8 -1.277 -8.433 7.413 1.00 0.63 H new ATOM 0 HA PHE A 8 1.426 -7.742 8.413 1.00 0.68 H new ATOM 0 HB2 PHE A 8 -0.553 -6.080 6.761 1.00 0.99 H new ATOM 0 HB3 PHE A 8 0.796 -5.372 7.627 1.00 0.99 H new ATOM 0 HD1 PHE A 8 -0.073 -7.708 4.898 1.00 2.71 H new ATOM 0 HD2 PHE A 8 2.966 -5.382 6.692 1.00 2.28 H new ATOM 0 HE1 PHE A 8 1.406 -8.115 2.922 1.00 3.74 H new ATOM 0 HE2 PHE A 8 4.445 -5.790 4.718 1.00 3.19 H new ATOM 0 HZ PHE A 8 3.646 -7.149 2.855 1.00 3.63 H new ATOM 132 N ASP A 9 0.440 -6.752 10.427 1.00 0.64 N ATOM 133 CA ASP A 9 -0.138 -6.334 11.692 1.00 0.72 C ATOM 134 C ASP A 9 -0.041 -4.813 11.814 1.00 0.68 C ATOM 135 O ASP A 9 1.045 -4.246 11.711 1.00 0.76 O ATOM 136 CB ASP A 9 0.614 -6.952 12.872 1.00 0.86 C ATOM 137 CG ASP A 9 0.062 -6.592 14.252 1.00 1.43 C ATOM 138 OD1 ASP A 9 0.006 -5.377 14.542 1.00 2.73 O ATOM 139 OD2 ASP A 9 -0.292 -7.539 14.987 1.00 2.19 O ATOM 0 H ASP A 9 1.455 -6.848 10.433 1.00 0.64 H new ATOM 0 HA ASP A 9 -1.177 -6.664 11.714 1.00 0.72 H new ATOM 0 HB2 ASP A 9 0.600 -8.037 12.764 1.00 0.86 H new ATOM 0 HB3 ASP A 9 1.657 -6.640 12.822 1.00 0.86 H new ATOM 144 N ILE A 10 -1.192 -4.194 12.034 1.00 0.66 N ATOM 145 CA ILE A 10 -1.246 -2.752 12.205 1.00 0.69 C ATOM 146 C ILE A 10 -1.394 -2.424 13.692 1.00 0.73 C ATOM 147 O ILE A 10 -2.283 -2.949 14.362 1.00 0.78 O ATOM 148 CB ILE A 10 -2.348 -2.150 11.330 1.00 0.76 C ATOM 149 CG1 ILE A 10 -1.965 -2.207 9.850 1.00 0.98 C ATOM 150 CG2 ILE A 10 -2.688 -0.728 11.780 1.00 0.83 C ATOM 151 CD1 ILE A 10 -2.074 -3.634 9.310 1.00 1.20 C ATOM 0 H ILE A 10 -2.094 -4.665 12.098 1.00 0.66 H new ATOM 0 HA ILE A 10 -0.316 -2.293 11.868 1.00 0.69 H new ATOM 0 HB ILE A 10 -3.249 -2.751 11.452 1.00 0.76 H new ATOM 0 HG12 ILE A 10 -2.616 -1.547 9.277 1.00 0.98 H new ATOM 0 HG13 ILE A 10 -0.946 -1.842 9.720 1.00 0.98 H new ATOM 0 HG21 ILE A 10 -3.474 -0.323 11.142 1.00 0.83 H new ATOM 0 HG22 ILE A 10 -3.033 -0.746 12.814 1.00 0.83 H new ATOM 0 HG23 ILE A 10 -1.800 -0.100 11.705 1.00 0.83 H new ATOM 0 HD11 ILE A 10 -1.796 -3.646 8.256 1.00 1.20 H new ATOM 0 HD12 ILE A 10 -1.404 -4.287 9.869 1.00 1.20 H new ATOM 0 HD13 ILE A 10 -3.099 -3.987 9.419 1.00 1.20 H new ATOM 163 N ALA A 11 -0.509 -1.558 14.166 1.00 0.82 N ATOM 164 CA ALA A 11 -0.511 -1.178 15.567 1.00 0.90 C ATOM 165 C ALA A 11 -0.928 0.289 15.693 1.00 0.81 C ATOM 166 O ALA A 11 -0.240 1.179 15.195 1.00 0.83 O ATOM 167 CB ALA A 11 0.870 -1.445 16.171 1.00 1.03 C ATOM 0 H ALA A 11 0.214 -1.109 13.603 1.00 0.82 H new ATOM 0 HA ALA A 11 -1.232 -1.775 16.125 1.00 0.90 H new ATOM 0 HB1 ALA A 11 0.868 -1.160 17.223 1.00 1.03 H new ATOM 0 HB2 ALA A 11 1.107 -2.505 16.083 1.00 1.03 H new ATOM 0 HB3 ALA A 11 1.620 -0.860 15.638 1.00 1.03 H new ATOM 173 N VAL A 12 -2.054 0.496 16.360 1.00 0.81 N ATOM 174 CA VAL A 12 -2.526 1.842 16.633 1.00 0.81 C ATOM 175 C VAL A 12 -2.133 2.238 18.059 1.00 0.89 C ATOM 176 O VAL A 12 -2.820 1.885 19.015 1.00 0.97 O ATOM 177 CB VAL A 12 -4.033 1.930 16.382 1.00 0.85 C ATOM 178 CG1 VAL A 12 -4.562 3.329 16.707 1.00 0.95 C ATOM 179 CG2 VAL A 12 -4.373 1.535 14.944 1.00 0.79 C ATOM 0 H VAL A 12 -2.653 -0.247 16.719 1.00 0.81 H new ATOM 0 HA VAL A 12 -2.055 2.555 15.956 1.00 0.81 H new ATOM 0 HB VAL A 12 -4.526 1.222 17.049 1.00 0.85 H new ATOM 0 HG11 VAL A 12 -5.635 3.365 16.520 1.00 0.95 H new ATOM 0 HG12 VAL A 12 -4.368 3.557 17.755 1.00 0.95 H new ATOM 0 HG13 VAL A 12 -4.059 4.063 16.077 1.00 0.95 H new ATOM 0 HG21 VAL A 12 -5.450 1.606 14.792 1.00 0.79 H new ATOM 0 HG22 VAL A 12 -3.864 2.206 14.252 1.00 0.79 H new ATOM 0 HG23 VAL A 12 -4.048 0.511 14.761 1.00 0.79 H new ATOM 189 N ASP A 13 -1.029 2.963 18.153 1.00 0.89 N ATOM 190 CA ASP A 13 -0.562 3.451 19.441 1.00 0.98 C ATOM 191 C ASP A 13 -0.396 2.269 20.399 1.00 1.09 C ATOM 192 O ASP A 13 -1.274 2.002 21.218 1.00 1.17 O ATOM 193 CB ASP A 13 -1.570 4.422 20.060 1.00 1.01 C ATOM 194 CG ASP A 13 -1.982 5.587 19.158 1.00 1.27 C ATOM 195 OD1 ASP A 13 -2.318 5.307 17.987 1.00 2.27 O ATOM 196 OD2 ASP A 13 -1.952 6.732 19.659 1.00 2.09 O ATOM 0 H ASP A 13 -0.444 3.225 17.360 1.00 0.89 H new ATOM 0 HA ASP A 13 0.386 3.966 19.283 1.00 0.98 H new ATOM 0 HB2 ASP A 13 -2.464 3.865 20.340 1.00 1.01 H new ATOM 0 HB3 ASP A 13 -1.146 4.826 20.979 1.00 1.01 H new ATOM 201 N GLY A 14 0.736 1.595 20.264 1.00 1.16 N ATOM 202 CA GLY A 14 1.075 0.513 21.173 1.00 1.33 C ATOM 203 C GLY A 14 -0.125 -0.408 21.401 1.00 1.36 C ATOM 204 O GLY A 14 -0.361 -0.861 22.520 1.00 1.52 O ATOM 0 H GLY A 14 1.430 1.777 19.539 1.00 1.16 H new ATOM 0 HA2 GLY A 14 1.907 -0.062 20.766 1.00 1.33 H new ATOM 0 HA3 GLY A 14 1.408 0.925 22.126 1.00 1.33 H new ATOM 208 N GLU A 15 -0.852 -0.658 20.321 1.00 1.24 N ATOM 209 CA GLU A 15 -2.006 -1.539 20.384 1.00 1.29 C ATOM 210 C GLU A 15 -2.278 -2.155 19.010 1.00 1.15 C ATOM 211 O GLU A 15 -2.514 -1.437 18.040 1.00 1.12 O ATOM 212 CB GLU A 15 -3.236 -0.795 20.904 1.00 1.34 C ATOM 213 CG GLU A 15 -4.295 -1.775 21.416 1.00 1.55 C ATOM 214 CD GLU A 15 -3.973 -2.237 22.838 1.00 2.81 C ATOM 215 OE1 GLU A 15 -4.317 -1.481 23.772 1.00 3.45 O ATOM 216 OE2 GLU A 15 -3.390 -3.336 22.959 1.00 4.08 O ATOM 0 H GLU A 15 -0.664 -0.266 19.398 1.00 1.24 H new ATOM 0 HA GLU A 15 -1.786 -2.344 21.085 1.00 1.29 H new ATOM 0 HB2 GLU A 15 -2.943 -0.118 21.707 1.00 1.34 H new ATOM 0 HB3 GLU A 15 -3.658 -0.182 20.108 1.00 1.34 H new ATOM 0 HG2 GLU A 15 -5.275 -1.299 21.398 1.00 1.55 H new ATOM 0 HG3 GLU A 15 -4.348 -2.638 20.753 1.00 1.55 H new ATOM 223 N PRO A 16 -2.235 -3.514 18.971 1.00 1.09 N ATOM 224 CA PRO A 16 -2.469 -4.235 17.731 1.00 0.98 C ATOM 225 C PRO A 16 -3.956 -4.237 17.370 1.00 0.94 C ATOM 226 O PRO A 16 -4.764 -4.858 18.058 1.00 0.98 O ATOM 227 CB PRO A 16 -1.915 -5.629 17.975 1.00 1.00 C ATOM 228 CG PRO A 16 -1.814 -5.778 19.484 1.00 1.10 C ATOM 229 CD PRO A 16 -1.962 -4.396 20.101 1.00 1.16 C ATOM 0 HA PRO A 16 -1.978 -3.770 16.876 1.00 0.98 H new ATOM 0 HB2 PRO A 16 -2.570 -6.390 17.550 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.939 -5.750 17.504 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -2.591 -6.446 19.854 1.00 1.10 H new ATOM 0 HG3 PRO A 16 -0.856 -6.219 19.761 1.00 1.10 H new ATOM 0 HD2 PRO A 16 -2.774 -4.372 20.828 1.00 1.16 H new ATOM 0 HD3 PRO A 16 -1.055 -4.098 20.626 1.00 1.16 H new ATOM 237 N LEU A 17 -4.271 -3.534 16.292 1.00 0.92 N ATOM 238 CA LEU A 17 -5.652 -3.415 15.854 1.00 0.94 C ATOM 239 C LEU A 17 -6.112 -4.750 15.263 1.00 0.85 C ATOM 240 O LEU A 17 -7.221 -5.204 15.535 1.00 0.92 O ATOM 241 CB LEU A 17 -5.811 -2.232 14.898 1.00 1.02 C ATOM 242 CG LEU A 17 -7.236 -1.941 14.420 1.00 0.78 C ATOM 243 CD1 LEU A 17 -8.136 -1.547 15.592 1.00 1.00 C ATOM 244 CD2 LEU A 17 -7.239 -0.885 13.314 1.00 1.99 C ATOM 0 H LEU A 17 -3.594 -3.041 15.709 1.00 0.92 H new ATOM 0 HA LEU A 17 -6.303 -3.200 16.701 1.00 0.94 H new ATOM 0 HB2 LEU A 17 -5.425 -1.339 15.389 1.00 1.02 H new ATOM 0 HB3 LEU A 17 -5.185 -2.411 14.024 1.00 1.02 H new ATOM 0 HG LEU A 17 -7.646 -2.855 13.991 1.00 0.78 H new ATOM 0 HD11 LEU A 17 -9.143 -1.345 15.226 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -8.169 -2.362 16.315 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -7.738 -0.652 16.071 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -8.264 -0.697 12.993 1.00 1.99 H new ATOM 0 HD22 LEU A 17 -6.802 0.039 13.692 1.00 1.99 H new ATOM 0 HD23 LEU A 17 -6.653 -1.243 12.467 1.00 1.99 H new ATOM 256 N GLY A 18 -5.234 -5.340 14.464 1.00 0.75 N ATOM 257 CA GLY A 18 -5.549 -6.597 13.806 1.00 0.74 C ATOM 258 C GLY A 18 -4.576 -6.873 12.659 1.00 0.70 C ATOM 259 O GLY A 18 -3.649 -6.099 12.426 1.00 0.75 O ATOM 0 H GLY A 18 -4.306 -4.971 14.258 1.00 0.75 H new ATOM 0 HA2 GLY A 18 -5.505 -7.411 14.529 1.00 0.74 H new ATOM 0 HA3 GLY A 18 -6.569 -6.566 13.423 1.00 0.74 H new ATOM 263 N ARG A 19 -4.820 -7.979 11.971 1.00 0.76 N ATOM 264 CA ARG A 19 -3.957 -8.386 10.876 1.00 0.79 C ATOM 265 C ARG A 19 -4.723 -8.345 9.553 1.00 0.72 C ATOM 266 O ARG A 19 -5.743 -9.017 9.401 1.00 0.93 O ATOM 267 CB ARG A 19 -3.412 -9.798 11.099 1.00 0.98 C ATOM 268 CG ARG A 19 -2.052 -9.757 11.798 1.00 1.61 C ATOM 269 CD ARG A 19 -1.618 -11.158 12.236 1.00 2.04 C ATOM 270 NE ARG A 19 -0.284 -11.098 12.874 1.00 3.07 N ATOM 271 CZ ARG A 19 -0.002 -10.358 13.956 1.00 4.00 C ATOM 272 NH1 ARG A 19 -0.985 -9.983 14.786 1.00 4.62 N ATOM 273 NH2 ARG A 19 1.262 -9.993 14.207 1.00 5.22 N ATOM 0 H ARG A 19 -5.604 -8.606 12.151 1.00 0.76 H new ATOM 0 HA ARG A 19 -3.120 -7.689 10.837 1.00 0.79 H new ATOM 0 HB2 ARG A 19 -4.117 -10.373 11.700 1.00 0.98 H new ATOM 0 HB3 ARG A 19 -3.317 -10.311 10.142 1.00 0.98 H new ATOM 0 HG2 ARG A 19 -1.306 -9.335 11.125 1.00 1.61 H new ATOM 0 HG3 ARG A 19 -2.105 -9.101 12.667 1.00 1.61 H new ATOM 0 HD2 ARG A 19 -2.346 -11.572 12.934 1.00 2.04 H new ATOM 0 HD3 ARG A 19 -1.588 -11.825 11.374 1.00 2.04 H new ATOM 0 HE ARG A 19 0.467 -11.654 12.465 1.00 3.07 H new ATOM 0 HH11 ARG A 19 -1.948 -10.261 14.595 1.00 4.62 H new ATOM 0 HH12 ARG A 19 -0.771 -9.420 15.609 1.00 4.62 H new ATOM 0 HH21 ARG A 19 2.010 -10.278 13.575 1.00 5.22 H new ATOM 0 HH22 ARG A 19 1.476 -9.430 15.030 1.00 5.22 H new ATOM 287 N VAL A 20 -4.204 -7.551 8.628 1.00 0.72 N ATOM 288 CA VAL A 20 -4.801 -7.449 7.307 1.00 0.72 C ATOM 289 C VAL A 20 -4.043 -8.358 6.338 1.00 0.91 C ATOM 290 O VAL A 20 -2.813 -8.348 6.306 1.00 2.07 O ATOM 291 CB VAL A 20 -4.830 -5.986 6.858 1.00 0.69 C ATOM 292 CG1 VAL A 20 -5.556 -5.839 5.520 1.00 0.74 C ATOM 293 CG2 VAL A 20 -5.464 -5.096 7.929 1.00 0.75 C ATOM 0 H VAL A 20 -3.376 -6.972 8.767 1.00 0.72 H new ATOM 0 HA VAL A 20 -5.836 -7.789 7.328 1.00 0.72 H new ATOM 0 HB VAL A 20 -3.800 -5.657 6.718 1.00 0.69 H new ATOM 0 HG11 VAL A 20 -5.563 -4.790 5.223 1.00 0.74 H new ATOM 0 HG12 VAL A 20 -5.042 -6.428 4.760 1.00 0.74 H new ATOM 0 HG13 VAL A 20 -6.582 -6.194 5.622 1.00 0.74 H new ATOM 0 HG21 VAL A 20 -5.472 -4.062 7.585 1.00 0.75 H new ATOM 0 HG22 VAL A 20 -6.486 -5.424 8.116 1.00 0.75 H new ATOM 0 HG23 VAL A 20 -4.886 -5.167 8.850 1.00 0.75 H new ATOM 303 N SER A 21 -4.808 -9.121 5.571 1.00 0.71 N ATOM 304 CA SER A 21 -4.224 -10.081 4.650 1.00 0.64 C ATOM 305 C SER A 21 -4.591 -9.717 3.210 1.00 0.62 C ATOM 306 O SER A 21 -5.689 -9.226 2.952 1.00 0.69 O ATOM 307 CB SER A 21 -4.686 -11.503 4.972 1.00 0.74 C ATOM 308 OG SER A 21 -4.379 -11.875 6.314 1.00 1.76 O ATOM 0 H SER A 21 -5.828 -9.094 5.569 1.00 0.71 H new ATOM 0 HA SER A 21 -3.140 -10.045 4.761 1.00 0.64 H new ATOM 0 HB2 SER A 21 -5.761 -11.579 4.812 1.00 0.74 H new ATOM 0 HB3 SER A 21 -4.211 -12.203 4.284 1.00 0.74 H new ATOM 0 HG SER A 21 -4.692 -12.789 6.480 1.00 1.76 H new ATOM 314 N PHE A 22 -3.651 -9.970 2.312 1.00 0.61 N ATOM 315 CA PHE A 22 -3.829 -9.599 0.919 1.00 0.60 C ATOM 316 C PHE A 22 -3.520 -10.778 -0.007 1.00 0.69 C ATOM 317 O PHE A 22 -2.959 -11.783 0.429 1.00 1.20 O ATOM 318 CB PHE A 22 -2.842 -8.466 0.628 1.00 0.63 C ATOM 319 CG PHE A 22 -2.975 -7.269 1.571 1.00 0.61 C ATOM 320 CD1 PHE A 22 -3.882 -6.292 1.307 1.00 1.56 C ATOM 321 CD2 PHE A 22 -2.184 -7.182 2.674 1.00 1.64 C ATOM 322 CE1 PHE A 22 -4.004 -5.180 2.182 1.00 1.58 C ATOM 323 CE2 PHE A 22 -2.306 -6.072 3.550 1.00 1.69 C ATOM 324 CZ PHE A 22 -3.214 -5.094 3.285 1.00 0.77 C ATOM 0 H PHE A 22 -2.764 -10.427 2.522 1.00 0.61 H new ATOM 0 HA PHE A 22 -4.861 -9.295 0.744 1.00 0.60 H new ATOM 0 HB2 PHE A 22 -1.826 -8.856 0.694 1.00 0.63 H new ATOM 0 HB3 PHE A 22 -2.987 -8.126 -0.397 1.00 0.63 H new ATOM 0 HD1 PHE A 22 -4.510 -6.361 0.431 1.00 1.56 H new ATOM 0 HD2 PHE A 22 -1.463 -7.958 2.883 1.00 1.64 H new ATOM 0 HE1 PHE A 22 -4.724 -4.403 1.971 1.00 1.58 H new ATOM 0 HE2 PHE A 22 -1.679 -6.004 4.426 1.00 1.69 H new ATOM 0 HZ PHE A 22 -3.307 -4.249 3.951 1.00 0.77 H new ATOM 334 N GLU A 23 -3.900 -10.617 -1.266 1.00 0.46 N ATOM 335 CA GLU A 23 -3.503 -11.563 -2.295 1.00 0.51 C ATOM 336 C GLU A 23 -2.964 -10.820 -3.519 1.00 0.80 C ATOM 337 O GLU A 23 -3.565 -9.847 -3.972 1.00 1.69 O ATOM 338 CB GLU A 23 -4.667 -12.478 -2.677 1.00 0.59 C ATOM 339 CG GLU A 23 -5.967 -11.684 -2.812 1.00 1.36 C ATOM 340 CD GLU A 23 -7.152 -12.613 -3.085 1.00 1.45 C ATOM 341 OE1 GLU A 23 -7.313 -13.572 -2.299 1.00 2.03 O ATOM 342 OE2 GLU A 23 -7.868 -12.345 -4.073 1.00 2.51 O ATOM 0 H GLU A 23 -4.479 -9.845 -1.597 1.00 0.46 H new ATOM 0 HA GLU A 23 -2.707 -12.191 -1.896 1.00 0.51 H new ATOM 0 HB2 GLU A 23 -4.445 -12.981 -3.618 1.00 0.59 H new ATOM 0 HB3 GLU A 23 -4.787 -13.254 -1.921 1.00 0.59 H new ATOM 0 HG2 GLU A 23 -6.148 -11.117 -1.899 1.00 1.36 H new ATOM 0 HG3 GLU A 23 -5.873 -10.961 -3.622 1.00 1.36 H new ATOM 349 N LEU A 24 -1.839 -11.307 -4.019 1.00 0.73 N ATOM 350 CA LEU A 24 -1.191 -10.678 -5.158 1.00 0.84 C ATOM 351 C LEU A 24 -1.500 -11.481 -6.423 1.00 0.89 C ATOM 352 O LEU A 24 -1.854 -12.657 -6.345 1.00 1.28 O ATOM 353 CB LEU A 24 0.305 -10.500 -4.892 1.00 1.03 C ATOM 354 CG LEU A 24 0.674 -9.628 -3.690 1.00 0.96 C ATOM 355 CD1 LEU A 24 -0.156 -8.343 -3.670 1.00 2.37 C ATOM 356 CD2 LEU A 24 0.546 -10.414 -2.383 1.00 2.15 C ATOM 0 H LEU A 24 -1.359 -12.131 -3.657 1.00 0.73 H new ATOM 0 HA LEU A 24 -1.585 -9.674 -5.314 1.00 0.84 H new ATOM 0 HB2 LEU A 24 0.748 -11.486 -4.750 1.00 1.03 H new ATOM 0 HB3 LEU A 24 0.763 -10.069 -5.782 1.00 1.03 H new ATOM 0 HG LEU A 24 1.719 -9.335 -3.788 1.00 0.96 H new ATOM 0 HD11 LEU A 24 0.126 -7.741 -2.806 1.00 2.37 H new ATOM 0 HD12 LEU A 24 0.029 -7.776 -4.583 1.00 2.37 H new ATOM 0 HD13 LEU A 24 -1.215 -8.595 -3.607 1.00 2.37 H new ATOM 0 HD21 LEU A 24 0.814 -9.771 -1.544 1.00 2.15 H new ATOM 0 HD22 LEU A 24 -0.482 -10.757 -2.264 1.00 2.15 H new ATOM 0 HD23 LEU A 24 1.215 -11.274 -2.409 1.00 2.15 H new ATOM 368 N PHE A 25 -1.354 -10.815 -7.558 1.00 0.80 N ATOM 369 CA PHE A 25 -1.524 -11.477 -8.842 1.00 0.79 C ATOM 370 C PHE A 25 -0.227 -11.440 -9.653 1.00 0.86 C ATOM 371 O PHE A 25 -0.140 -10.738 -10.658 1.00 1.02 O ATOM 372 CB PHE A 25 -2.608 -10.709 -9.600 1.00 0.80 C ATOM 373 CG PHE A 25 -3.970 -10.704 -8.904 1.00 0.70 C ATOM 374 CD1 PHE A 25 -4.706 -11.846 -8.840 1.00 2.09 C ATOM 375 CD2 PHE A 25 -4.446 -9.557 -8.349 1.00 1.85 C ATOM 376 CE1 PHE A 25 -5.971 -11.841 -8.194 1.00 2.11 C ATOM 377 CE2 PHE A 25 -5.711 -9.552 -7.702 1.00 1.90 C ATOM 378 CZ PHE A 25 -6.446 -10.695 -7.639 1.00 0.88 C ATOM 0 H PHE A 25 -1.120 -9.824 -7.617 1.00 0.80 H new ATOM 0 HA PHE A 25 -1.796 -12.521 -8.690 1.00 0.79 H new ATOM 0 HB2 PHE A 25 -2.279 -9.679 -9.739 1.00 0.80 H new ATOM 0 HB3 PHE A 25 -2.721 -11.145 -10.593 1.00 0.80 H new ATOM 0 HD1 PHE A 25 -4.328 -12.757 -9.281 1.00 2.09 H new ATOM 0 HD2 PHE A 25 -3.862 -8.650 -8.400 1.00 1.85 H new ATOM 0 HE1 PHE A 25 -6.555 -12.748 -8.144 1.00 2.11 H new ATOM 0 HE2 PHE A 25 -6.089 -8.642 -7.261 1.00 1.90 H new ATOM 0 HZ PHE A 25 -7.408 -10.692 -7.148 1.00 0.88 H new ATOM 388 N ALA A 26 0.748 -12.205 -9.184 1.00 0.85 N ATOM 389 CA ALA A 26 2.065 -12.198 -9.797 1.00 0.99 C ATOM 390 C ALA A 26 1.928 -12.484 -11.294 1.00 1.34 C ATOM 391 O ALA A 26 2.713 -11.986 -12.100 1.00 1.80 O ATOM 392 CB ALA A 26 2.964 -13.214 -9.089 1.00 1.08 C ATOM 0 H ALA A 26 0.652 -12.834 -8.387 1.00 0.85 H new ATOM 0 HA ALA A 26 2.532 -11.219 -9.690 1.00 0.99 H new ATOM 0 HB1 ALA A 26 3.952 -13.208 -9.549 1.00 1.08 H new ATOM 0 HB2 ALA A 26 3.053 -12.949 -8.035 1.00 1.08 H new ATOM 0 HB3 ALA A 26 2.528 -14.209 -9.177 1.00 1.08 H new ATOM 398 N ASP A 27 0.926 -13.286 -11.620 1.00 1.29 N ATOM 399 CA ASP A 27 0.699 -13.677 -13.002 1.00 1.60 C ATOM 400 C ASP A 27 0.502 -12.422 -13.856 1.00 1.67 C ATOM 401 O ASP A 27 1.050 -12.321 -14.953 1.00 2.29 O ATOM 402 CB ASP A 27 -0.558 -14.539 -13.131 1.00 1.70 C ATOM 403 CG ASP A 27 -0.933 -14.924 -14.564 1.00 2.07 C ATOM 404 OD1 ASP A 27 -0.377 -15.933 -15.046 1.00 2.62 O ATOM 405 OD2 ASP A 27 -1.771 -14.198 -15.145 1.00 3.00 O ATOM 0 H ASP A 27 0.262 -13.676 -10.952 1.00 1.29 H new ATOM 0 HA ASP A 27 1.564 -14.249 -13.338 1.00 1.60 H new ATOM 0 HB2 ASP A 27 -0.416 -15.451 -12.551 1.00 1.70 H new ATOM 0 HB3 ASP A 27 -1.395 -14.003 -12.684 1.00 1.70 H new ATOM 410 N LYS A 28 -0.283 -11.499 -13.321 1.00 1.37 N ATOM 411 CA LYS A 28 -0.720 -10.348 -14.094 1.00 1.58 C ATOM 412 C LYS A 28 0.210 -9.167 -13.812 1.00 1.71 C ATOM 413 O LYS A 28 0.300 -8.238 -14.614 1.00 2.24 O ATOM 414 CB LYS A 28 -2.195 -10.048 -13.821 1.00 1.53 C ATOM 415 CG LYS A 28 -3.087 -11.190 -14.312 1.00 1.25 C ATOM 416 CD LYS A 28 -4.567 -10.831 -14.167 1.00 2.11 C ATOM 417 CE LYS A 28 -5.024 -10.968 -12.712 1.00 2.66 C ATOM 418 NZ LYS A 28 -6.496 -10.852 -12.617 1.00 3.97 N ATOM 0 H LYS A 28 -0.628 -11.524 -12.361 1.00 1.37 H new ATOM 0 HA LYS A 28 -0.654 -10.559 -15.161 1.00 1.58 H new ATOM 0 HB2 LYS A 28 -2.347 -9.897 -12.752 1.00 1.53 H new ATOM 0 HB3 LYS A 28 -2.479 -9.120 -14.318 1.00 1.53 H new ATOM 0 HG2 LYS A 28 -2.863 -11.408 -15.356 1.00 1.25 H new ATOM 0 HG3 LYS A 28 -2.871 -12.095 -13.744 1.00 1.25 H new ATOM 0 HD2 LYS A 28 -4.732 -9.809 -14.509 1.00 2.11 H new ATOM 0 HD3 LYS A 28 -5.167 -11.482 -14.803 1.00 2.11 H new ATOM 0 HE2 LYS A 28 -4.703 -11.930 -12.313 1.00 2.66 H new ATOM 0 HE3 LYS A 28 -4.553 -10.197 -12.103 1.00 2.66 H new ATOM 0 HZ1 LYS A 28 -6.788 -10.947 -11.623 1.00 3.97 H new ATOM 0 HZ2 LYS A 28 -6.795 -9.924 -12.978 1.00 3.97 H new ATOM 0 HZ3 LYS A 28 -6.941 -11.603 -13.182 1.00 3.97 H new ATOM 432 N VAL A 29 0.879 -9.241 -12.671 1.00 1.30 N ATOM 433 CA VAL A 29 1.797 -8.186 -12.273 1.00 1.41 C ATOM 434 C VAL A 29 3.009 -8.808 -11.577 1.00 1.24 C ATOM 435 O VAL A 29 3.088 -8.818 -10.350 1.00 0.93 O ATOM 436 CB VAL A 29 1.069 -7.161 -11.402 1.00 1.42 C ATOM 437 CG1 VAL A 29 0.445 -6.058 -12.259 1.00 1.90 C ATOM 438 CG2 VAL A 29 0.014 -7.838 -10.525 1.00 1.22 C ATOM 0 H VAL A 29 0.804 -10.014 -12.010 1.00 1.30 H new ATOM 0 HA VAL A 29 2.164 -7.648 -13.147 1.00 1.41 H new ATOM 0 HB VAL A 29 1.804 -6.698 -10.744 1.00 1.42 H new ATOM 0 HG11 VAL A 29 -0.066 -5.342 -11.615 1.00 1.90 H new ATOM 0 HG12 VAL A 29 1.227 -5.547 -12.820 1.00 1.90 H new ATOM 0 HG13 VAL A 29 -0.271 -6.498 -12.953 1.00 1.90 H new ATOM 0 HG21 VAL A 29 -0.489 -7.087 -9.916 1.00 1.22 H new ATOM 0 HG22 VAL A 29 -0.717 -8.341 -11.158 1.00 1.22 H new ATOM 0 HG23 VAL A 29 0.495 -8.569 -9.876 1.00 1.22 H new ATOM 448 N PRO A 30 3.950 -9.325 -12.413 1.00 1.62 N ATOM 449 CA PRO A 30 5.231 -9.784 -11.906 1.00 1.81 C ATOM 450 C PRO A 30 6.140 -8.602 -11.560 1.00 2.00 C ATOM 451 O PRO A 30 5.870 -7.470 -11.960 1.00 3.68 O ATOM 452 CB PRO A 30 5.798 -10.665 -13.007 1.00 2.28 C ATOM 453 CG PRO A 30 5.035 -10.297 -14.270 1.00 2.40 C ATOM 454 CD PRO A 30 3.818 -9.486 -13.859 1.00 2.00 C ATOM 0 HA PRO A 30 5.138 -10.343 -10.975 1.00 1.81 H new ATOM 0 HB2 PRO A 30 6.867 -10.494 -13.133 1.00 2.28 H new ATOM 0 HB3 PRO A 30 5.670 -11.721 -12.767 1.00 2.28 H new ATOM 0 HG2 PRO A 30 5.668 -9.720 -14.944 1.00 2.40 H new ATOM 0 HG3 PRO A 30 4.731 -11.195 -14.808 1.00 2.40 H new ATOM 0 HD2 PRO A 30 3.797 -8.521 -14.364 1.00 2.00 H new ATOM 0 HD3 PRO A 30 2.893 -10.002 -14.117 1.00 2.00 H new ATOM 462 N LYS A 31 7.196 -8.905 -10.822 1.00 1.15 N ATOM 463 CA LYS A 31 8.111 -7.872 -10.365 1.00 1.27 C ATOM 464 C LYS A 31 7.480 -7.121 -9.190 1.00 1.15 C ATOM 465 O LYS A 31 8.055 -7.061 -8.105 1.00 1.28 O ATOM 466 CB LYS A 31 8.520 -6.966 -11.527 1.00 1.55 C ATOM 467 CG LYS A 31 9.813 -6.213 -11.207 1.00 2.75 C ATOM 468 CD LYS A 31 10.387 -5.552 -12.462 1.00 2.87 C ATOM 469 CE LYS A 31 11.416 -6.460 -13.138 1.00 3.23 C ATOM 470 NZ LYS A 31 12.090 -5.745 -14.244 1.00 4.17 N ATOM 0 H LYS A 31 7.440 -9.851 -10.528 1.00 1.15 H new ATOM 0 HA LYS A 31 9.036 -8.317 -9.999 1.00 1.27 H new ATOM 0 HB2 LYS A 31 8.657 -7.564 -12.428 1.00 1.55 H new ATOM 0 HB3 LYS A 31 7.722 -6.253 -11.735 1.00 1.55 H new ATOM 0 HG2 LYS A 31 9.618 -5.455 -10.449 1.00 2.75 H new ATOM 0 HG3 LYS A 31 10.545 -6.903 -10.787 1.00 2.75 H new ATOM 0 HD2 LYS A 31 9.581 -5.327 -13.160 1.00 2.87 H new ATOM 0 HD3 LYS A 31 10.853 -4.603 -12.197 1.00 2.87 H new ATOM 0 HE2 LYS A 31 12.154 -6.790 -12.407 1.00 3.23 H new ATOM 0 HE3 LYS A 31 10.925 -7.354 -13.521 1.00 3.23 H new ATOM 0 HZ1 LYS A 31 12.843 -6.345 -14.637 1.00 4.17 H new ATOM 0 HZ2 LYS A 31 11.398 -5.526 -14.989 1.00 4.17 H new ATOM 0 HZ3 LYS A 31 12.504 -4.861 -13.885 1.00 4.17 H new ATOM 484 N THR A 32 6.305 -6.566 -9.449 1.00 1.05 N ATOM 485 CA THR A 32 5.531 -5.928 -8.397 1.00 1.03 C ATOM 486 C THR A 32 5.304 -6.900 -7.238 1.00 0.88 C ATOM 487 O THR A 32 5.614 -6.587 -6.090 1.00 1.08 O ATOM 488 CB THR A 32 4.233 -5.406 -9.015 1.00 1.08 C ATOM 489 OG1 THR A 32 4.487 -5.418 -10.418 1.00 1.19 O ATOM 490 CG2 THR A 32 3.983 -3.931 -8.695 1.00 0.94 C ATOM 0 H THR A 32 5.870 -6.545 -10.371 1.00 1.05 H new ATOM 0 HA THR A 32 6.068 -5.081 -7.969 1.00 1.03 H new ATOM 0 HB THR A 32 3.395 -6.003 -8.655 1.00 1.08 H new ATOM 0 HG1 THR A 32 3.814 -4.874 -10.877 1.00 1.19 H new ATOM 0 HG21 THR A 32 3.049 -3.612 -9.158 1.00 0.94 H new ATOM 0 HG22 THR A 32 3.917 -3.799 -7.615 1.00 0.94 H new ATOM 0 HG23 THR A 32 4.805 -3.330 -9.084 1.00 0.94 H new ATOM 498 N ALA A 33 4.764 -8.061 -7.578 1.00 0.69 N ATOM 499 CA ALA A 33 4.495 -9.083 -6.581 1.00 0.74 C ATOM 500 C ALA A 33 5.806 -9.483 -5.901 1.00 0.81 C ATOM 501 O ALA A 33 5.824 -9.781 -4.707 1.00 1.09 O ATOM 502 CB ALA A 33 3.796 -10.272 -7.243 1.00 0.72 C ATOM 0 H ALA A 33 4.505 -8.317 -8.531 1.00 0.69 H new ATOM 0 HA ALA A 33 3.826 -8.700 -5.810 1.00 0.74 H new ATOM 0 HB1 ALA A 33 3.594 -11.038 -6.495 1.00 0.72 H new ATOM 0 HB2 ALA A 33 2.857 -9.941 -7.686 1.00 0.72 H new ATOM 0 HB3 ALA A 33 4.438 -10.685 -8.021 1.00 0.72 H new ATOM 508 N GLU A 34 6.871 -9.477 -6.689 1.00 0.68 N ATOM 509 CA GLU A 34 8.174 -9.884 -6.191 1.00 0.80 C ATOM 510 C GLU A 34 8.625 -8.955 -5.063 1.00 0.88 C ATOM 511 O GLU A 34 8.928 -9.412 -3.961 1.00 1.04 O ATOM 512 CB GLU A 34 9.205 -9.919 -7.320 1.00 0.90 C ATOM 513 CG GLU A 34 10.470 -10.663 -6.883 1.00 1.13 C ATOM 514 CD GLU A 34 11.532 -10.630 -7.984 1.00 2.40 C ATOM 515 OE1 GLU A 34 12.168 -9.563 -8.126 1.00 3.69 O ATOM 516 OE2 GLU A 34 11.685 -11.671 -8.658 1.00 3.01 O ATOM 0 H GLU A 34 6.858 -9.196 -7.670 1.00 0.68 H new ATOM 0 HA GLU A 34 8.089 -10.894 -5.790 1.00 0.80 H new ATOM 0 HB2 GLU A 34 8.775 -10.407 -8.195 1.00 0.90 H new ATOM 0 HB3 GLU A 34 9.461 -8.902 -7.616 1.00 0.90 H new ATOM 0 HG2 GLU A 34 10.868 -10.210 -5.975 1.00 1.13 H new ATOM 0 HG3 GLU A 34 10.223 -11.697 -6.641 1.00 1.13 H new ATOM 523 N ASN A 35 8.658 -7.668 -5.377 1.00 0.94 N ATOM 524 CA ASN A 35 9.109 -6.675 -4.417 1.00 1.19 C ATOM 525 C ASN A 35 8.300 -6.816 -3.126 1.00 1.36 C ATOM 526 O ASN A 35 8.867 -6.863 -2.035 1.00 2.09 O ATOM 527 CB ASN A 35 8.901 -5.258 -4.953 1.00 1.38 C ATOM 528 CG ASN A 35 9.364 -4.213 -3.935 1.00 2.40 C ATOM 529 OD1 ASN A 35 10.537 -4.085 -3.627 1.00 2.93 O ATOM 530 ND2 ASN A 35 8.378 -3.476 -3.431 1.00 3.61 N ATOM 0 H ASN A 35 8.380 -7.290 -6.283 1.00 0.94 H new ATOM 0 HA ASN A 35 10.171 -6.839 -4.235 1.00 1.19 H new ATOM 0 HB2 ASN A 35 9.453 -5.133 -5.884 1.00 1.38 H new ATOM 0 HB3 ASN A 35 7.847 -5.104 -5.184 1.00 1.38 H new ATOM 0 HD21 ASN A 35 8.583 -2.752 -2.743 1.00 3.61 H new ATOM 0 HD22 ASN A 35 7.417 -3.635 -3.733 1.00 3.61 H new ATOM 537 N PHE A 36 6.986 -6.878 -3.291 1.00 0.99 N ATOM 538 CA PHE A 36 6.091 -6.950 -2.149 1.00 1.13 C ATOM 539 C PHE A 36 6.371 -8.200 -1.312 1.00 1.11 C ATOM 540 O PHE A 36 6.539 -8.111 -0.097 1.00 1.21 O ATOM 541 CB PHE A 36 4.667 -7.030 -2.703 1.00 1.26 C ATOM 542 CG PHE A 36 3.578 -6.959 -1.630 1.00 2.00 C ATOM 543 CD1 PHE A 36 3.348 -8.029 -0.823 1.00 3.64 C ATOM 544 CD2 PHE A 36 2.840 -5.825 -1.484 1.00 2.22 C ATOM 545 CE1 PHE A 36 2.337 -7.962 0.172 1.00 4.46 C ATOM 546 CE2 PHE A 36 1.830 -5.759 -0.490 1.00 3.03 C ATOM 547 CZ PHE A 36 1.599 -6.829 0.318 1.00 3.84 C ATOM 0 H PHE A 36 6.520 -6.880 -4.199 1.00 0.99 H new ATOM 0 HA PHE A 36 6.231 -6.078 -1.510 1.00 1.13 H new ATOM 0 HB2 PHE A 36 4.518 -6.216 -3.412 1.00 1.26 H new ATOM 0 HB3 PHE A 36 4.556 -7.961 -3.258 1.00 1.26 H new ATOM 0 HD1 PHE A 36 3.934 -8.929 -0.939 1.00 3.64 H new ATOM 0 HD2 PHE A 36 3.023 -4.975 -2.125 1.00 2.22 H new ATOM 0 HE1 PHE A 36 2.154 -8.811 0.813 1.00 4.46 H new ATOM 0 HE2 PHE A 36 1.244 -4.859 -0.375 1.00 3.03 H new ATOM 0 HZ PHE A 36 0.830 -6.779 1.075 1.00 3.84 H new ATOM 557 N ARG A 37 6.411 -9.334 -1.995 1.00 1.06 N ATOM 558 CA ARG A 37 6.569 -10.610 -1.318 1.00 1.16 C ATOM 559 C ARG A 37 7.941 -10.687 -0.644 1.00 1.25 C ATOM 560 O ARG A 37 8.074 -11.261 0.436 1.00 1.37 O ATOM 561 CB ARG A 37 6.423 -11.776 -2.298 1.00 1.22 C ATOM 562 CG ARG A 37 6.452 -13.117 -1.563 1.00 1.64 C ATOM 563 CD ARG A 37 7.676 -13.940 -1.973 1.00 2.04 C ATOM 564 NE ARG A 37 7.446 -14.565 -3.294 1.00 2.68 N ATOM 565 CZ ARG A 37 6.768 -15.707 -3.478 1.00 3.21 C ATOM 566 NH1 ARG A 37 6.171 -16.305 -2.438 1.00 3.50 N ATOM 567 NH2 ARG A 37 6.690 -16.250 -4.699 1.00 4.26 N ATOM 0 H ARG A 37 6.337 -9.396 -3.010 1.00 1.06 H new ATOM 0 HA ARG A 37 5.785 -10.684 -0.564 1.00 1.16 H new ATOM 0 HB2 ARG A 37 5.487 -11.679 -2.848 1.00 1.22 H new ATOM 0 HB3 ARG A 37 7.228 -11.742 -3.032 1.00 1.22 H new ATOM 0 HG2 ARG A 37 6.468 -12.946 -0.487 1.00 1.64 H new ATOM 0 HG3 ARG A 37 5.543 -13.676 -1.783 1.00 1.64 H new ATOM 0 HD2 ARG A 37 8.558 -13.301 -2.013 1.00 2.04 H new ATOM 0 HD3 ARG A 37 7.874 -14.710 -1.227 1.00 2.04 H new ATOM 0 HE ARG A 37 7.827 -14.098 -4.117 1.00 2.68 H new ATOM 0 HH11 ARG A 37 6.233 -15.891 -1.508 1.00 3.50 H new ATOM 0 HH12 ARG A 37 5.655 -17.174 -2.577 1.00 3.50 H new ATOM 0 HH21 ARG A 37 7.146 -15.795 -5.490 1.00 4.26 H new ATOM 0 HH22 ARG A 37 6.174 -17.119 -4.839 1.00 4.26 H new ATOM 581 N ALA A 38 8.925 -10.102 -1.310 1.00 1.25 N ATOM 582 CA ALA A 38 10.295 -10.167 -0.829 1.00 1.40 C ATOM 583 C ALA A 38 10.420 -9.348 0.457 1.00 1.51 C ATOM 584 O ALA A 38 10.971 -9.823 1.449 1.00 1.73 O ATOM 585 CB ALA A 38 11.244 -9.678 -1.926 1.00 1.39 C ATOM 0 H ALA A 38 8.802 -9.581 -2.178 1.00 1.25 H new ATOM 0 HA ALA A 38 10.570 -11.195 -0.593 1.00 1.40 H new ATOM 0 HB1 ALA A 38 12.272 -9.726 -1.566 1.00 1.39 H new ATOM 0 HB2 ALA A 38 11.138 -10.310 -2.807 1.00 1.39 H new ATOM 0 HB3 ALA A 38 10.999 -8.648 -2.187 1.00 1.39 H new ATOM 591 N LEU A 39 9.898 -8.131 0.399 1.00 1.41 N ATOM 592 CA LEU A 39 10.037 -7.203 1.509 1.00 1.58 C ATOM 593 C LEU A 39 9.384 -7.804 2.754 1.00 1.69 C ATOM 594 O LEU A 39 9.882 -7.628 3.866 1.00 2.14 O ATOM 595 CB LEU A 39 9.487 -5.827 1.129 1.00 1.56 C ATOM 596 CG LEU A 39 10.379 -4.975 0.223 1.00 1.55 C ATOM 597 CD1 LEU A 39 9.663 -3.689 -0.198 1.00 1.56 C ATOM 598 CD2 LEU A 39 11.725 -4.689 0.891 1.00 1.74 C ATOM 0 H LEU A 39 9.378 -7.766 -0.399 1.00 1.41 H new ATOM 0 HA LEU A 39 11.089 -7.045 1.745 1.00 1.58 H new ATOM 0 HB2 LEU A 39 8.526 -5.966 0.633 1.00 1.56 H new ATOM 0 HB3 LEU A 39 9.295 -5.269 2.045 1.00 1.56 H new ATOM 0 HG LEU A 39 10.585 -5.542 -0.685 1.00 1.55 H new ATOM 0 HD11 LEU A 39 10.318 -3.102 -0.841 1.00 1.56 H new ATOM 0 HD12 LEU A 39 8.752 -3.941 -0.741 1.00 1.56 H new ATOM 0 HD13 LEU A 39 9.408 -3.108 0.688 1.00 1.56 H new ATOM 0 HD21 LEU A 39 12.340 -4.082 0.226 1.00 1.74 H new ATOM 0 HD22 LEU A 39 11.561 -4.151 1.825 1.00 1.74 H new ATOM 0 HD23 LEU A 39 12.235 -5.630 1.099 1.00 1.74 H new ATOM 610 N SER A 40 8.281 -8.501 2.528 1.00 1.35 N ATOM 611 CA SER A 40 7.520 -9.077 3.625 1.00 1.40 C ATOM 612 C SER A 40 8.401 -10.039 4.423 1.00 1.57 C ATOM 613 O SER A 40 8.125 -10.316 5.589 1.00 1.92 O ATOM 614 CB SER A 40 6.274 -9.800 3.110 1.00 1.35 C ATOM 615 OG SER A 40 5.506 -8.981 2.233 1.00 2.07 O ATOM 0 H SER A 40 7.895 -8.681 1.601 1.00 1.35 H new ATOM 0 HA SER A 40 7.193 -8.268 4.278 1.00 1.40 H new ATOM 0 HB2 SER A 40 6.572 -10.709 2.588 1.00 1.35 H new ATOM 0 HB3 SER A 40 5.657 -10.105 3.955 1.00 1.35 H new ATOM 0 HG SER A 40 5.923 -8.970 1.346 1.00 2.07 H new ATOM 621 N THR A 41 9.444 -10.521 3.765 1.00 1.48 N ATOM 622 CA THR A 41 10.427 -11.360 4.430 1.00 1.67 C ATOM 623 C THR A 41 11.844 -10.894 4.087 1.00 1.95 C ATOM 624 O THR A 41 12.748 -11.713 3.926 1.00 2.78 O ATOM 625 CB THR A 41 10.153 -12.813 4.036 1.00 1.78 C ATOM 626 OG1 THR A 41 11.141 -13.556 4.745 1.00 2.46 O ATOM 627 CG2 THR A 41 10.464 -13.089 2.563 1.00 1.86 C ATOM 0 H THR A 41 9.631 -10.347 2.777 1.00 1.48 H new ATOM 0 HA THR A 41 10.346 -11.282 5.514 1.00 1.67 H new ATOM 0 HB THR A 41 9.109 -13.054 4.237 1.00 1.78 H new ATOM 0 HG1 THR A 41 12.034 -13.260 4.469 1.00 2.46 H new ATOM 0 HG21 THR A 41 10.252 -14.134 2.336 1.00 1.86 H new ATOM 0 HG22 THR A 41 9.845 -12.449 1.934 1.00 1.86 H new ATOM 0 HG23 THR A 41 11.516 -12.881 2.368 1.00 1.86 H new ATOM 635 N GLY A 42 11.993 -9.581 3.986 1.00 1.56 N ATOM 636 CA GLY A 42 13.215 -9.007 3.450 1.00 1.96 C ATOM 637 C GLY A 42 14.294 -8.909 4.530 1.00 1.94 C ATOM 638 O GLY A 42 14.767 -7.817 4.843 1.00 2.50 O ATOM 0 H GLY A 42 11.288 -8.899 4.266 1.00 1.56 H new ATOM 0 HA2 GLY A 42 13.577 -9.619 2.624 1.00 1.96 H new ATOM 0 HA3 GLY A 42 13.009 -8.016 3.046 1.00 1.96 H new ATOM 642 N GLU A 43 14.654 -10.065 5.068 1.00 2.47 N ATOM 643 CA GLU A 43 15.786 -10.149 5.976 1.00 3.49 C ATOM 644 C GLU A 43 17.074 -9.743 5.257 1.00 3.64 C ATOM 645 O GLU A 43 18.100 -9.517 5.895 1.00 4.83 O ATOM 646 CB GLU A 43 15.908 -11.552 6.572 1.00 4.65 C ATOM 647 CG GLU A 43 14.756 -11.841 7.536 1.00 5.72 C ATOM 648 CD GLU A 43 14.796 -13.293 8.018 1.00 6.72 C ATOM 649 OE1 GLU A 43 14.292 -14.155 7.266 1.00 6.88 O ATOM 650 OE2 GLU A 43 15.329 -13.508 9.128 1.00 7.79 O ATOM 0 H GLU A 43 14.182 -10.952 4.893 1.00 2.47 H new ATOM 0 HA GLU A 43 15.619 -9.455 6.799 1.00 3.49 H new ATOM 0 HB2 GLU A 43 15.911 -12.292 5.772 1.00 4.65 H new ATOM 0 HB3 GLU A 43 16.859 -11.646 7.097 1.00 4.65 H new ATOM 0 HG2 GLU A 43 14.815 -11.168 8.392 1.00 5.72 H new ATOM 0 HG3 GLU A 43 13.805 -11.644 7.041 1.00 5.72 H new ATOM 657 N LYS A 44 16.978 -9.665 3.937 1.00 2.88 N ATOM 658 CA LYS A 44 18.100 -9.218 3.130 1.00 3.11 C ATOM 659 C LYS A 44 18.578 -7.857 3.639 1.00 3.18 C ATOM 660 O LYS A 44 19.775 -7.572 3.632 1.00 3.82 O ATOM 661 CB LYS A 44 17.729 -9.224 1.646 1.00 3.23 C ATOM 662 CG LYS A 44 18.949 -8.924 0.775 1.00 3.68 C ATOM 663 CD LYS A 44 18.659 -9.225 -0.697 1.00 3.35 C ATOM 664 CE LYS A 44 17.290 -8.681 -1.108 1.00 2.72 C ATOM 665 NZ LYS A 44 17.222 -8.502 -2.577 1.00 3.06 N ATOM 0 H LYS A 44 16.140 -9.904 3.407 1.00 2.88 H new ATOM 0 HA LYS A 44 18.938 -9.908 3.228 1.00 3.11 H new ATOM 0 HB2 LYS A 44 17.314 -10.195 1.375 1.00 3.23 H new ATOM 0 HB3 LYS A 44 16.953 -8.482 1.459 1.00 3.23 H new ATOM 0 HG2 LYS A 44 19.232 -7.877 0.887 1.00 3.68 H new ATOM 0 HG3 LYS A 44 19.797 -9.521 1.112 1.00 3.68 H new ATOM 0 HD2 LYS A 44 19.434 -8.781 -1.322 1.00 3.35 H new ATOM 0 HD3 LYS A 44 18.692 -10.301 -0.865 1.00 3.35 H new ATOM 0 HE2 LYS A 44 16.507 -9.366 -0.783 1.00 2.72 H new ATOM 0 HE3 LYS A 44 17.107 -7.728 -0.611 1.00 2.72 H new ATOM 0 HZ1 LYS A 44 16.286 -8.132 -2.839 1.00 3.06 H new ATOM 0 HZ2 LYS A 44 17.956 -7.831 -2.879 1.00 3.06 H new ATOM 0 HZ3 LYS A 44 17.376 -9.418 -3.046 1.00 3.06 H new ATOM 679 N GLY A 45 17.618 -7.050 4.068 1.00 2.83 N ATOM 680 CA GLY A 45 17.916 -5.699 4.509 1.00 3.30 C ATOM 681 C GLY A 45 16.833 -5.179 5.456 1.00 3.18 C ATOM 682 O GLY A 45 17.130 -4.749 6.569 1.00 4.24 O ATOM 0 H GLY A 45 16.632 -7.307 4.119 1.00 2.83 H new ATOM 0 HA2 GLY A 45 18.883 -5.682 5.012 1.00 3.30 H new ATOM 0 HA3 GLY A 45 17.995 -5.040 3.645 1.00 3.30 H new ATOM 686 N PHE A 46 15.598 -5.235 4.978 1.00 2.15 N ATOM 687 CA PHE A 46 14.483 -4.672 5.721 1.00 2.11 C ATOM 688 C PHE A 46 13.152 -5.236 5.220 1.00 1.91 C ATOM 689 O PHE A 46 13.091 -5.834 4.147 1.00 1.71 O ATOM 690 CB PHE A 46 14.505 -3.161 5.485 1.00 2.16 C ATOM 691 CG PHE A 46 14.959 -2.757 4.080 1.00 1.98 C ATOM 692 CD1 PHE A 46 14.073 -2.774 3.048 1.00 2.23 C ATOM 693 CD2 PHE A 46 16.248 -2.382 3.864 1.00 2.74 C ATOM 694 CE1 PHE A 46 14.496 -2.399 1.745 1.00 2.35 C ATOM 695 CE2 PHE A 46 16.670 -2.006 2.562 1.00 3.02 C ATOM 696 CZ PHE A 46 15.785 -2.023 1.529 1.00 2.46 C ATOM 0 H PHE A 46 15.345 -5.661 4.086 1.00 2.15 H new ATOM 0 HA PHE A 46 14.577 -4.919 6.778 1.00 2.11 H new ATOM 0 HB2 PHE A 46 13.506 -2.761 5.662 1.00 2.16 H new ATOM 0 HB3 PHE A 46 15.168 -2.699 6.217 1.00 2.16 H new ATOM 0 HD1 PHE A 46 13.049 -3.072 3.219 1.00 2.23 H new ATOM 0 HD2 PHE A 46 16.951 -2.370 4.684 1.00 2.74 H new ATOM 0 HE1 PHE A 46 13.793 -2.412 0.925 1.00 2.35 H new ATOM 0 HE2 PHE A 46 17.694 -1.706 2.391 1.00 3.02 H new ATOM 0 HZ PHE A 46 16.106 -1.738 0.538 1.00 2.46 H new ATOM 706 N GLY A 47 12.118 -5.026 6.021 1.00 2.26 N ATOM 707 CA GLY A 47 10.798 -5.534 5.689 1.00 2.39 C ATOM 708 C GLY A 47 9.731 -4.930 6.603 1.00 2.44 C ATOM 709 O GLY A 47 9.370 -5.524 7.618 1.00 3.87 O ATOM 0 H GLY A 47 12.168 -4.511 6.900 1.00 2.26 H new ATOM 0 HA2 GLY A 47 10.566 -5.301 4.650 1.00 2.39 H new ATOM 0 HA3 GLY A 47 10.789 -6.620 5.782 1.00 2.39 H new ATOM 713 N TYR A 48 9.257 -3.757 6.212 1.00 1.40 N ATOM 714 CA TYR A 48 8.201 -3.091 6.955 1.00 1.52 C ATOM 715 C TYR A 48 8.365 -3.313 8.460 1.00 1.49 C ATOM 716 O TYR A 48 7.477 -3.863 9.111 1.00 2.30 O ATOM 717 CB TYR A 48 6.891 -3.734 6.497 1.00 1.77 C ATOM 718 CG TYR A 48 6.684 -3.712 4.981 1.00 2.61 C ATOM 719 CD1 TYR A 48 6.358 -2.531 4.346 1.00 3.42 C ATOM 720 CD2 TYR A 48 6.824 -4.874 4.248 1.00 3.74 C ATOM 721 CE1 TYR A 48 6.164 -2.511 2.919 1.00 4.55 C ATOM 722 CE2 TYR A 48 6.630 -4.854 2.822 1.00 4.84 C ATOM 723 CZ TYR A 48 6.309 -3.673 2.227 1.00 4.96 C ATOM 724 OH TYR A 48 6.126 -3.654 0.880 1.00 6.20 O ATOM 0 H TYR A 48 9.585 -3.250 5.390 1.00 1.40 H new ATOM 0 HA TYR A 48 8.225 -2.016 6.774 1.00 1.52 H new ATOM 0 HB2 TYR A 48 6.865 -4.768 6.842 1.00 1.77 H new ATOM 0 HB3 TYR A 48 6.058 -3.218 6.975 1.00 1.77 H new ATOM 0 HD1 TYR A 48 6.248 -1.622 4.919 1.00 3.42 H new ATOM 0 HD2 TYR A 48 7.079 -5.798 4.745 1.00 3.74 H new ATOM 0 HE1 TYR A 48 5.909 -1.593 2.410 1.00 4.55 H new ATOM 0 HE2 TYR A 48 6.737 -5.756 2.237 1.00 4.84 H new ATOM 0 HH TYR A 48 5.288 -3.192 0.670 1.00 6.20 H new ATOM 734 N LYS A 49 9.507 -2.876 8.969 1.00 1.34 N ATOM 735 CA LYS A 49 9.773 -2.964 10.395 1.00 1.49 C ATOM 736 C LYS A 49 10.427 -1.665 10.869 1.00 1.79 C ATOM 737 O LYS A 49 11.207 -1.669 11.820 1.00 2.17 O ATOM 738 CB LYS A 49 10.595 -4.217 10.710 1.00 1.58 C ATOM 739 CG LYS A 49 10.177 -4.824 12.051 1.00 1.76 C ATOM 740 CD LYS A 49 9.026 -5.816 11.868 1.00 1.99 C ATOM 741 CE LYS A 49 9.546 -7.184 11.425 1.00 2.92 C ATOM 742 NZ LYS A 49 8.444 -8.004 10.872 1.00 3.96 N ATOM 0 H LYS A 49 10.259 -2.460 8.420 1.00 1.34 H new ATOM 0 HA LYS A 49 8.841 -3.073 10.950 1.00 1.49 H new ATOM 0 HB2 LYS A 49 10.462 -4.952 9.917 1.00 1.58 H new ATOM 0 HB3 LYS A 49 11.655 -3.964 10.736 1.00 1.58 H new ATOM 0 HG2 LYS A 49 11.028 -5.329 12.507 1.00 1.76 H new ATOM 0 HG3 LYS A 49 9.873 -4.031 12.735 1.00 1.76 H new ATOM 0 HD2 LYS A 49 8.477 -5.918 12.804 1.00 1.99 H new ATOM 0 HD3 LYS A 49 8.325 -5.432 11.127 1.00 1.99 H new ATOM 0 HE2 LYS A 49 10.325 -7.057 10.673 1.00 2.92 H new ATOM 0 HE3 LYS A 49 10.000 -7.698 12.272 1.00 2.92 H new ATOM 0 HZ1 LYS A 49 8.840 -8.821 10.365 1.00 3.96 H new ATOM 0 HZ2 LYS A 49 7.837 -8.339 11.648 1.00 3.96 H new ATOM 0 HZ3 LYS A 49 7.879 -7.429 10.215 1.00 3.96 H new ATOM 756 N GLY A 50 10.083 -0.583 10.185 1.00 2.17 N ATOM 757 CA GLY A 50 10.603 0.725 10.544 1.00 2.60 C ATOM 758 C GLY A 50 9.940 1.825 9.711 1.00 2.59 C ATOM 759 O GLY A 50 10.606 2.759 9.267 1.00 3.68 O ATOM 0 H GLY A 50 9.451 -0.586 9.385 1.00 2.17 H new ATOM 0 HA2 GLY A 50 10.429 0.911 11.604 1.00 2.60 H new ATOM 0 HA3 GLY A 50 11.682 0.747 10.389 1.00 2.60 H new ATOM 763 N SER A 51 8.637 1.677 9.525 1.00 1.92 N ATOM 764 CA SER A 51 7.902 2.569 8.645 1.00 2.58 C ATOM 765 C SER A 51 6.648 3.088 9.354 1.00 1.89 C ATOM 766 O SER A 51 6.109 2.422 10.237 1.00 2.21 O ATOM 767 CB SER A 51 7.519 1.865 7.341 1.00 3.82 C ATOM 768 OG SER A 51 6.619 2.644 6.558 1.00 4.72 O ATOM 0 H SER A 51 8.071 0.953 9.968 1.00 1.92 H new ATOM 0 HA SER A 51 8.548 3.411 8.396 1.00 2.58 H new ATOM 0 HB2 SER A 51 8.419 1.660 6.762 1.00 3.82 H new ATOM 0 HB3 SER A 51 7.061 0.903 7.570 1.00 3.82 H new ATOM 0 HG SER A 51 5.696 2.423 6.803 1.00 4.72 H new ATOM 774 N CYS A 52 6.222 4.273 8.941 1.00 2.10 N ATOM 775 CA CYS A 52 4.983 4.841 9.447 1.00 1.90 C ATOM 776 C CYS A 52 3.922 4.732 8.350 1.00 1.59 C ATOM 777 O CYS A 52 3.982 3.835 7.510 1.00 2.50 O ATOM 778 CB CYS A 52 5.173 6.284 9.917 1.00 2.89 C ATOM 779 SG CYS A 52 6.750 6.443 10.830 1.00 4.39 S ATOM 0 H CYS A 52 6.712 4.855 8.262 1.00 2.10 H new ATOM 0 HA CYS A 52 4.655 4.283 10.324 1.00 1.90 H new ATOM 0 HB2 CYS A 52 5.170 6.958 9.060 1.00 2.89 H new ATOM 0 HB3 CYS A 52 4.342 6.579 10.557 1.00 2.89 H new ATOM 0 HG CYS A 52 6.902 7.673 11.222 1.00 4.39 H new ATOM 785 N PHE A 53 2.977 5.658 8.392 1.00 1.38 N ATOM 786 CA PHE A 53 1.906 5.680 7.410 1.00 1.44 C ATOM 787 C PHE A 53 1.899 7.000 6.634 1.00 1.21 C ATOM 788 O PHE A 53 2.150 8.060 7.205 1.00 1.75 O ATOM 789 CB PHE A 53 0.591 5.548 8.179 1.00 2.22 C ATOM 790 CG PHE A 53 0.148 4.102 8.412 1.00 3.60 C ATOM 791 CD1 PHE A 53 0.943 3.254 9.120 1.00 4.43 C ATOM 792 CD2 PHE A 53 -1.038 3.664 7.912 1.00 5.01 C ATOM 793 CE1 PHE A 53 0.533 1.912 9.336 1.00 6.09 C ATOM 794 CE2 PHE A 53 -1.449 2.322 8.130 1.00 6.59 C ATOM 795 CZ PHE A 53 -0.654 1.475 8.837 1.00 6.93 C ATOM 0 H PHE A 53 2.930 6.399 9.091 1.00 1.38 H new ATOM 0 HA PHE A 53 2.042 4.869 6.694 1.00 1.44 H new ATOM 0 HB2 PHE A 53 0.695 6.045 9.143 1.00 2.22 H new ATOM 0 HB3 PHE A 53 -0.192 6.073 7.632 1.00 2.22 H new ATOM 0 HD1 PHE A 53 1.885 3.602 9.517 1.00 4.43 H new ATOM 0 HD2 PHE A 53 -1.668 4.337 7.349 1.00 5.01 H new ATOM 0 HE1 PHE A 53 1.164 1.238 9.897 1.00 6.09 H new ATOM 0 HE2 PHE A 53 -2.392 1.975 7.735 1.00 6.59 H new ATOM 0 HZ PHE A 53 -0.966 0.454 9.002 1.00 6.93 H new ATOM 805 N HIS A 54 1.610 6.891 5.346 1.00 1.48 N ATOM 806 CA HIS A 54 1.561 8.062 4.488 1.00 1.63 C ATOM 807 C HIS A 54 0.360 8.929 4.872 1.00 1.31 C ATOM 808 O HIS A 54 0.515 9.954 5.534 1.00 1.70 O ATOM 809 CB HIS A 54 1.551 7.656 3.013 1.00 2.34 C ATOM 810 CG HIS A 54 2.906 7.259 2.477 1.00 2.06 C ATOM 811 ND1 HIS A 54 3.200 5.971 2.066 1.00 2.24 N ATOM 812 CD2 HIS A 54 4.040 7.992 2.289 1.00 2.75 C ATOM 813 CE1 HIS A 54 4.459 5.942 1.651 1.00 2.53 C ATOM 814 NE2 HIS A 54 4.977 7.196 1.790 1.00 2.96 N ATOM 0 H HIS A 54 1.407 6.009 4.876 1.00 1.48 H new ATOM 0 HA HIS A 54 2.460 8.661 4.633 1.00 1.63 H new ATOM 0 HB2 HIS A 54 0.861 6.823 2.881 1.00 2.34 H new ATOM 0 HB3 HIS A 54 1.166 8.486 2.421 1.00 2.34 H new ATOM 0 HD1 HIS A 54 2.558 5.179 2.080 1.00 2.24 H new ATOM 0 HD2 HIS A 54 4.156 9.043 2.509 1.00 2.75 H new ATOM 0 HE1 HIS A 54 4.982 5.077 1.270 1.00 2.53 H new ATOM 822 N ARG A 55 -0.812 8.486 4.439 1.00 1.13 N ATOM 823 CA ARG A 55 -2.023 9.267 4.625 1.00 1.05 C ATOM 824 C ARG A 55 -3.195 8.353 4.986 1.00 0.89 C ATOM 825 O ARG A 55 -3.161 7.156 4.704 1.00 1.28 O ATOM 826 CB ARG A 55 -2.369 10.056 3.361 1.00 1.50 C ATOM 827 CG ARG A 55 -1.380 11.201 3.140 1.00 1.27 C ATOM 828 CD ARG A 55 -1.605 11.866 1.780 1.00 1.34 C ATOM 829 NE ARG A 55 -0.650 12.982 1.598 1.00 1.97 N ATOM 830 CZ ARG A 55 0.678 12.829 1.520 1.00 3.37 C ATOM 831 NH1 ARG A 55 1.201 11.616 1.296 1.00 4.53 N ATOM 832 NH2 ARG A 55 1.484 13.890 1.665 1.00 4.47 N ATOM 0 H ARG A 55 -0.948 7.596 3.960 1.00 1.13 H new ATOM 0 HA ARG A 55 -1.843 9.969 5.439 1.00 1.05 H new ATOM 0 HB2 ARG A 55 -2.358 9.390 2.498 1.00 1.50 H new ATOM 0 HB3 ARG A 55 -3.380 10.455 3.443 1.00 1.50 H new ATOM 0 HG2 ARG A 55 -1.491 11.940 3.933 1.00 1.27 H new ATOM 0 HG3 ARG A 55 -0.360 10.822 3.199 1.00 1.27 H new ATOM 0 HD2 ARG A 55 -1.478 11.134 0.983 1.00 1.34 H new ATOM 0 HD3 ARG A 55 -2.628 12.237 1.712 1.00 1.34 H new ATOM 0 HE ARG A 55 -1.027 13.927 1.528 1.00 1.97 H new ATOM 0 HH11 ARG A 55 0.588 10.809 1.185 1.00 4.53 H new ATOM 0 HH12 ARG A 55 2.213 11.500 1.237 1.00 4.53 H new ATOM 0 HH21 ARG A 55 1.086 14.814 1.835 1.00 4.47 H new ATOM 0 HH22 ARG A 55 2.496 13.774 1.606 1.00 4.47 H new ATOM 846 N ILE A 56 -4.203 8.950 5.602 1.00 0.74 N ATOM 847 CA ILE A 56 -5.413 8.220 5.941 1.00 0.64 C ATOM 848 C ILE A 56 -6.629 9.117 5.699 1.00 0.65 C ATOM 849 O ILE A 56 -6.734 10.196 6.280 1.00 0.74 O ATOM 850 CB ILE A 56 -5.327 7.671 7.366 1.00 0.63 C ATOM 851 CG1 ILE A 56 -4.226 6.614 7.480 1.00 0.73 C ATOM 852 CG2 ILE A 56 -6.683 7.139 7.831 1.00 0.84 C ATOM 853 CD1 ILE A 56 -4.370 5.811 8.775 1.00 0.83 C ATOM 0 H ILE A 56 -4.207 9.933 5.876 1.00 0.74 H new ATOM 0 HA ILE A 56 -5.526 7.349 5.296 1.00 0.64 H new ATOM 0 HB ILE A 56 -5.057 8.490 8.033 1.00 0.63 H new ATOM 0 HG12 ILE A 56 -4.272 5.941 6.624 1.00 0.73 H new ATOM 0 HG13 ILE A 56 -3.249 7.097 7.454 1.00 0.73 H new ATOM 0 HG21 ILE A 56 -6.594 6.755 8.847 1.00 0.84 H new ATOM 0 HG22 ILE A 56 -7.416 7.945 7.811 1.00 0.84 H new ATOM 0 HG23 ILE A 56 -7.007 6.338 7.167 1.00 0.84 H new ATOM 0 HD11 ILE A 56 -3.576 5.067 8.832 1.00 0.83 H new ATOM 0 HD12 ILE A 56 -4.299 6.483 9.630 1.00 0.83 H new ATOM 0 HD13 ILE A 56 -5.338 5.310 8.787 1.00 0.83 H new ATOM 865 N ILE A 57 -7.517 8.636 4.841 1.00 0.72 N ATOM 866 CA ILE A 57 -8.735 9.369 4.536 1.00 0.74 C ATOM 867 C ILE A 57 -9.924 8.406 4.565 1.00 0.74 C ATOM 868 O ILE A 57 -9.956 7.431 3.816 1.00 0.71 O ATOM 869 CB ILE A 57 -8.588 10.125 3.214 1.00 0.75 C ATOM 870 CG1 ILE A 57 -7.422 11.114 3.275 1.00 0.85 C ATOM 871 CG2 ILE A 57 -9.900 10.810 2.826 1.00 0.72 C ATOM 872 CD1 ILE A 57 -7.269 11.865 1.951 1.00 0.90 C ATOM 0 H ILE A 57 -7.418 7.749 4.348 1.00 0.72 H new ATOM 0 HA ILE A 57 -8.922 10.131 5.293 1.00 0.74 H new ATOM 0 HB ILE A 57 -8.357 9.403 2.431 1.00 0.75 H new ATOM 0 HG12 ILE A 57 -7.586 11.826 4.084 1.00 0.85 H new ATOM 0 HG13 ILE A 57 -6.499 10.580 3.503 1.00 0.85 H new ATOM 0 HG21 ILE A 57 -9.769 11.340 1.883 1.00 0.72 H new ATOM 0 HG22 ILE A 57 -10.683 10.060 2.714 1.00 0.72 H new ATOM 0 HG23 ILE A 57 -10.184 11.518 3.604 1.00 0.72 H new ATOM 0 HD11 ILE A 57 -6.433 12.561 2.022 1.00 0.90 H new ATOM 0 HD12 ILE A 57 -7.080 11.152 1.148 1.00 0.90 H new ATOM 0 HD13 ILE A 57 -8.184 12.417 1.738 1.00 0.90 H new ATOM 884 N PRO A 58 -10.897 8.721 5.461 1.00 0.84 N ATOM 885 CA PRO A 58 -12.059 7.867 5.635 1.00 0.89 C ATOM 886 C PRO A 58 -13.035 8.025 4.468 1.00 0.87 C ATOM 887 O PRO A 58 -13.423 9.140 4.124 1.00 0.91 O ATOM 888 CB PRO A 58 -12.657 8.283 6.970 1.00 1.06 C ATOM 889 CG PRO A 58 -12.086 9.660 7.271 1.00 1.11 C ATOM 890 CD PRO A 58 -10.916 9.896 6.329 1.00 0.97 C ATOM 0 HA PRO A 58 -11.805 6.807 5.640 1.00 0.89 H new ATOM 0 HB2 PRO A 58 -13.745 8.314 6.918 1.00 1.06 H new ATOM 0 HB3 PRO A 58 -12.396 7.572 7.754 1.00 1.06 H new ATOM 0 HG2 PRO A 58 -12.848 10.427 7.133 1.00 1.11 H new ATOM 0 HG3 PRO A 58 -11.758 9.719 8.309 1.00 1.11 H new ATOM 0 HD2 PRO A 58 -11.050 10.812 5.753 1.00 0.97 H new ATOM 0 HD3 PRO A 58 -9.980 9.998 6.878 1.00 0.97 H new ATOM 898 N GLY A 59 -13.405 6.890 3.890 1.00 0.90 N ATOM 899 CA GLY A 59 -14.374 6.883 2.809 1.00 0.94 C ATOM 900 C GLY A 59 -13.692 7.120 1.459 1.00 0.96 C ATOM 901 O GLY A 59 -14.328 7.568 0.507 1.00 1.16 O ATOM 0 H GLY A 59 -13.050 5.970 4.151 1.00 0.90 H new ATOM 0 HA2 GLY A 59 -14.899 5.928 2.793 1.00 0.94 H new ATOM 0 HA3 GLY A 59 -15.123 7.655 2.982 1.00 0.94 H new ATOM 905 N PHE A 60 -12.405 6.808 1.421 1.00 0.82 N ATOM 906 CA PHE A 60 -11.650 6.897 0.181 1.00 0.83 C ATOM 907 C PHE A 60 -10.674 5.727 0.050 1.00 0.87 C ATOM 908 O PHE A 60 -10.824 4.884 -0.834 1.00 0.95 O ATOM 909 CB PHE A 60 -10.857 8.204 0.233 1.00 0.79 C ATOM 910 CG PHE A 60 -9.927 8.414 -0.962 1.00 0.81 C ATOM 911 CD1 PHE A 60 -10.237 7.872 -2.170 1.00 2.04 C ATOM 912 CD2 PHE A 60 -8.788 9.144 -0.818 1.00 1.57 C ATOM 913 CE1 PHE A 60 -9.373 8.067 -3.280 1.00 2.09 C ATOM 914 CE2 PHE A 60 -7.924 9.339 -1.928 1.00 1.56 C ATOM 915 CZ PHE A 60 -8.235 8.797 -3.136 1.00 0.91 C ATOM 0 H PHE A 60 -11.866 6.493 2.228 1.00 0.82 H new ATOM 0 HA PHE A 60 -12.329 6.867 -0.671 1.00 0.83 H new ATOM 0 HB2 PHE A 60 -11.555 9.039 0.288 1.00 0.79 H new ATOM 0 HB3 PHE A 60 -10.266 8.222 1.148 1.00 0.79 H new ATOM 0 HD1 PHE A 60 -11.141 7.293 -2.285 1.00 2.04 H new ATOM 0 HD2 PHE A 60 -8.541 9.575 0.141 1.00 1.57 H new ATOM 0 HE1 PHE A 60 -9.620 7.635 -4.239 1.00 2.09 H new ATOM 0 HE2 PHE A 60 -7.020 9.918 -1.813 1.00 1.56 H new ATOM 0 HZ PHE A 60 -7.578 8.946 -3.980 1.00 0.91 H new ATOM 925 N MET A 61 -9.694 5.711 0.942 1.00 0.85 N ATOM 926 CA MET A 61 -8.601 4.759 0.838 1.00 0.87 C ATOM 927 C MET A 61 -7.783 4.720 2.131 1.00 0.91 C ATOM 928 O MET A 61 -7.810 5.667 2.915 1.00 0.82 O ATOM 929 CB MET A 61 -7.693 5.150 -0.330 1.00 0.88 C ATOM 930 CG MET A 61 -6.980 6.474 -0.050 1.00 1.15 C ATOM 931 SD MET A 61 -5.531 6.187 0.954 1.00 1.73 S ATOM 932 CE MET A 61 -5.402 7.768 1.771 1.00 1.38 C ATOM 0 H MET A 61 -9.634 6.343 1.741 1.00 0.85 H new ATOM 0 HA MET A 61 -9.022 3.768 0.667 1.00 0.87 H new ATOM 0 HB2 MET A 61 -6.956 4.365 -0.501 1.00 0.88 H new ATOM 0 HB3 MET A 61 -8.284 5.237 -1.242 1.00 0.88 H new ATOM 0 HG2 MET A 61 -6.694 6.948 -0.989 1.00 1.15 H new ATOM 0 HG3 MET A 61 -7.656 7.160 0.460 1.00 1.15 H new ATOM 0 HE1 MET A 61 -4.542 7.762 2.441 1.00 1.38 H new ATOM 0 HE2 MET A 61 -5.276 8.553 1.026 1.00 1.38 H new ATOM 0 HE3 MET A 61 -6.309 7.956 2.346 1.00 1.38 H new ATOM 942 N CYS A 62 -7.075 3.615 2.311 1.00 1.10 N ATOM 943 CA CYS A 62 -6.056 3.540 3.344 1.00 1.13 C ATOM 944 C CYS A 62 -4.788 2.949 2.726 1.00 1.37 C ATOM 945 O CYS A 62 -4.808 2.474 1.591 1.00 1.50 O ATOM 946 CB CYS A 62 -6.532 2.731 4.552 1.00 1.23 C ATOM 947 SG CYS A 62 -6.418 3.746 6.070 1.00 2.00 S ATOM 0 H CYS A 62 -7.187 2.764 1.759 1.00 1.10 H new ATOM 0 HA CYS A 62 -5.844 4.540 3.721 1.00 1.13 H new ATOM 0 HB2 CYS A 62 -7.561 2.405 4.399 1.00 1.23 H new ATOM 0 HB3 CYS A 62 -5.925 1.832 4.660 1.00 1.23 H new ATOM 0 HG CYS A 62 -5.710 3.117 6.961 1.00 2.00 H new ATOM 953 N GLN A 63 -3.712 2.998 3.499 1.00 1.99 N ATOM 954 CA GLN A 63 -2.481 2.331 3.110 1.00 2.49 C ATOM 955 C GLN A 63 -1.447 2.430 4.234 1.00 2.50 C ATOM 956 O GLN A 63 -1.659 1.903 5.326 1.00 3.59 O ATOM 957 CB GLN A 63 -1.931 2.912 1.807 1.00 2.84 C ATOM 958 CG GLN A 63 -0.760 2.076 1.285 1.00 4.03 C ATOM 959 CD GLN A 63 -0.949 0.596 1.625 1.00 5.83 C ATOM 960 OE1 GLN A 63 -0.591 0.128 2.694 1.00 6.93 O ATOM 961 NE2 GLN A 63 -1.527 -0.112 0.659 1.00 6.71 N ATOM 0 H GLN A 63 -3.668 3.489 4.392 1.00 1.99 H new ATOM 0 HA GLN A 63 -2.700 1.278 2.935 1.00 2.49 H new ATOM 0 HB2 GLN A 63 -2.721 2.945 1.057 1.00 2.84 H new ATOM 0 HB3 GLN A 63 -1.605 3.939 1.972 1.00 2.84 H new ATOM 0 HG2 GLN A 63 -0.675 2.197 0.205 1.00 4.03 H new ATOM 0 HG3 GLN A 63 0.172 2.437 1.720 1.00 4.03 H new ATOM 0 HE21 GLN A 63 -1.802 0.343 -0.212 1.00 6.71 H new ATOM 0 HE22 GLN A 63 -1.695 -1.110 0.789 1.00 6.71 H new ATOM 970 N GLY A 64 -0.350 3.108 3.928 1.00 1.65 N ATOM 971 CA GLY A 64 0.767 3.181 4.854 1.00 1.86 C ATOM 972 C GLY A 64 2.098 3.003 4.121 1.00 1.75 C ATOM 973 O GLY A 64 2.243 3.431 2.977 1.00 2.22 O ATOM 0 H GLY A 64 -0.211 3.611 3.052 1.00 1.65 H new ATOM 0 HA2 GLY A 64 0.756 4.142 5.368 1.00 1.86 H new ATOM 0 HA3 GLY A 64 0.662 2.410 5.618 1.00 1.86 H new ATOM 977 N GLY A 65 3.037 2.371 4.812 1.00 2.40 N ATOM 978 CA GLY A 65 4.310 2.028 4.201 1.00 2.61 C ATOM 979 C GLY A 65 5.159 3.278 3.962 1.00 2.00 C ATOM 980 O GLY A 65 5.828 3.392 2.937 1.00 2.23 O ATOM 0 H GLY A 65 2.941 2.088 5.787 1.00 2.40 H new ATOM 0 HA2 GLY A 65 4.851 1.334 4.845 1.00 2.61 H new ATOM 0 HA3 GLY A 65 4.137 1.516 3.255 1.00 2.61 H new ATOM 984 N ASP A 66 5.104 4.185 4.926 1.00 2.71 N ATOM 985 CA ASP A 66 5.837 5.435 4.821 1.00 3.16 C ATOM 986 C ASP A 66 7.267 5.227 5.323 1.00 2.61 C ATOM 987 O ASP A 66 7.544 5.402 6.508 1.00 3.08 O ATOM 988 CB ASP A 66 5.190 6.527 5.675 1.00 4.34 C ATOM 989 CG ASP A 66 5.760 7.932 5.470 1.00 5.10 C ATOM 990 OD1 ASP A 66 6.990 8.076 5.645 1.00 5.34 O ATOM 991 OD2 ASP A 66 4.955 8.830 5.143 1.00 6.11 O ATOM 0 H ASP A 66 4.563 4.079 5.784 1.00 2.71 H new ATOM 0 HA ASP A 66 5.829 5.743 3.775 1.00 3.16 H new ATOM 0 HB2 ASP A 66 4.122 6.550 5.460 1.00 4.34 H new ATOM 0 HB3 ASP A 66 5.298 6.257 6.726 1.00 4.34 H new ATOM 996 N PHE A 67 8.137 4.855 4.396 1.00 2.32 N ATOM 997 CA PHE A 67 9.568 4.937 4.638 1.00 2.21 C ATOM 998 C PHE A 67 10.129 6.277 4.159 1.00 2.89 C ATOM 999 O PHE A 67 10.839 6.956 4.900 1.00 3.83 O ATOM 1000 CB PHE A 67 10.221 3.810 3.835 1.00 2.30 C ATOM 1001 CG PHE A 67 10.278 2.471 4.575 1.00 2.61 C ATOM 1002 CD1 PHE A 67 11.049 2.341 5.687 1.00 3.48 C ATOM 1003 CD2 PHE A 67 9.555 1.412 4.119 1.00 3.47 C ATOM 1004 CE1 PHE A 67 11.101 1.098 6.372 1.00 4.65 C ATOM 1005 CE2 PHE A 67 9.607 0.170 4.805 1.00 4.56 C ATOM 1006 CZ PHE A 67 10.378 0.039 5.917 1.00 4.97 C ATOM 0 H PHE A 67 7.879 4.496 3.477 1.00 2.32 H new ATOM 0 HA PHE A 67 9.771 4.849 5.705 1.00 2.21 H new ATOM 0 HB2 PHE A 67 9.671 3.676 2.903 1.00 2.30 H new ATOM 0 HB3 PHE A 67 11.234 4.109 3.567 1.00 2.30 H new ATOM 0 HD1 PHE A 67 11.621 3.182 6.049 1.00 3.48 H new ATOM 0 HD2 PHE A 67 8.942 1.516 3.236 1.00 3.47 H new ATOM 0 HE1 PHE A 67 11.715 0.993 7.254 1.00 4.65 H new ATOM 0 HE2 PHE A 67 9.034 -0.671 4.443 1.00 4.56 H new ATOM 0 HZ PHE A 67 10.417 -0.906 6.439 1.00 4.97 H new ATOM 1016 N THR A 68 9.788 6.620 2.926 1.00 3.44 N ATOM 1017 CA THR A 68 10.108 7.936 2.399 1.00 4.64 C ATOM 1018 C THR A 68 11.573 8.280 2.675 1.00 3.42 C ATOM 1019 O THR A 68 11.930 9.453 2.777 1.00 4.27 O ATOM 1020 CB THR A 68 9.123 8.939 3.005 1.00 6.12 C ATOM 1021 OG1 THR A 68 9.261 8.754 4.412 1.00 6.60 O ATOM 1022 CG2 THR A 68 7.666 8.572 2.722 1.00 7.27 C ATOM 0 H THR A 68 9.293 6.009 2.276 1.00 3.44 H new ATOM 0 HA THR A 68 10.000 7.965 1.315 1.00 4.64 H new ATOM 0 HB THR A 68 9.330 9.934 2.611 1.00 6.12 H new ATOM 0 HG1 THR A 68 8.374 8.667 4.819 1.00 6.60 H new ATOM 0 HG21 THR A 68 7.009 9.315 3.174 1.00 7.27 H new ATOM 0 HG22 THR A 68 7.500 8.547 1.645 1.00 7.27 H new ATOM 0 HG23 THR A 68 7.449 7.591 3.145 1.00 7.27 H new ATOM 1030 N ARG A 69 12.381 7.236 2.788 1.00 2.47 N ATOM 1031 CA ARG A 69 13.805 7.414 3.017 1.00 3.35 C ATOM 1032 C ARG A 69 14.043 8.527 4.040 1.00 3.79 C ATOM 1033 O ARG A 69 15.080 9.188 4.014 1.00 5.11 O ATOM 1034 CB ARG A 69 14.534 7.760 1.718 1.00 3.90 C ATOM 1035 CG ARG A 69 15.745 6.849 1.509 1.00 5.22 C ATOM 1036 CD ARG A 69 16.843 7.154 2.529 1.00 5.93 C ATOM 1037 NE ARG A 69 17.314 8.548 2.366 1.00 5.85 N ATOM 1038 CZ ARG A 69 17.809 9.294 3.362 1.00 6.32 C ATOM 1039 NH1 ARG A 69 18.224 8.711 4.495 1.00 6.98 N ATOM 1040 NH2 ARG A 69 17.890 10.625 3.225 1.00 6.66 N ATOM 0 H ARG A 69 12.077 6.264 2.725 1.00 2.47 H new ATOM 0 HA ARG A 69 14.199 6.473 3.400 1.00 3.35 H new ATOM 0 HB2 ARG A 69 13.850 7.660 0.875 1.00 3.90 H new ATOM 0 HB3 ARG A 69 14.858 8.801 1.745 1.00 3.90 H new ATOM 0 HG2 ARG A 69 15.440 5.806 1.599 1.00 5.22 H new ATOM 0 HG3 ARG A 69 16.134 6.982 0.500 1.00 5.22 H new ATOM 0 HD2 ARG A 69 16.463 7.006 3.540 1.00 5.93 H new ATOM 0 HD3 ARG A 69 17.675 6.463 2.397 1.00 5.93 H new ATOM 0 HE ARG A 69 17.258 8.966 1.437 1.00 5.85 H new ATOM 0 HH11 ARG A 69 18.163 7.698 4.599 1.00 6.98 H new ATOM 0 HH12 ARG A 69 18.601 9.280 5.253 1.00 6.98 H new ATOM 0 HH21 ARG A 69 17.575 11.069 2.363 1.00 6.66 H new ATOM 0 HH22 ARG A 69 18.267 11.194 3.983 1.00 6.66 H new ATOM 1054 N HIS A 70 13.065 8.700 4.917 1.00 3.28 N ATOM 1055 CA HIS A 70 13.112 9.781 5.887 1.00 4.30 C ATOM 1056 C HIS A 70 13.668 11.042 5.224 1.00 5.14 C ATOM 1057 O HIS A 70 14.682 11.583 5.662 1.00 6.34 O ATOM 1058 CB HIS A 70 13.907 9.363 7.126 1.00 5.15 C ATOM 1059 CG HIS A 70 13.277 8.235 7.908 1.00 4.44 C ATOM 1060 ND1 HIS A 70 13.036 6.986 7.361 1.00 4.30 N ATOM 1061 CD2 HIS A 70 12.845 8.179 9.200 1.00 4.50 C ATOM 1062 CE1 HIS A 70 12.481 6.223 8.290 1.00 4.06 C ATOM 1063 NE2 HIS A 70 12.363 6.964 9.429 1.00 4.36 N ATOM 0 H HIS A 70 12.235 8.110 4.976 1.00 3.28 H new ATOM 0 HA HIS A 70 12.104 10.009 6.232 1.00 4.30 H new ATOM 0 HB2 HIS A 70 14.909 9.063 6.818 1.00 5.15 H new ATOM 0 HB3 HIS A 70 14.020 10.227 7.781 1.00 5.15 H new ATOM 0 HD2 HIS A 70 12.888 8.987 9.916 1.00 4.50 H new ATOM 0 HE1 HIS A 70 12.175 5.194 8.167 1.00 4.06 H new ATOM 0 HE2 HIS A 70 11.969 6.638 10.312 1.00 4.36 H new ATOM 1071 N ASN A 71 12.978 11.475 4.178 1.00 4.73 N ATOM 1072 CA ASN A 71 13.331 12.716 3.511 1.00 5.60 C ATOM 1073 C ASN A 71 12.058 13.406 3.020 1.00 5.14 C ATOM 1074 O ASN A 71 11.911 14.619 3.161 1.00 5.89 O ATOM 1075 CB ASN A 71 14.225 12.454 2.296 1.00 6.04 C ATOM 1076 CG ASN A 71 13.387 12.139 1.057 1.00 6.55 C ATOM 1077 OD1 ASN A 71 13.065 13.004 0.258 1.00 7.06 O ATOM 1078 ND2 ASN A 71 13.052 10.858 0.940 1.00 7.24 N ATOM 0 H ASN A 71 12.177 10.988 3.777 1.00 4.73 H new ATOM 0 HA ASN A 71 13.867 13.342 4.225 1.00 5.60 H new ATOM 0 HB2 ASN A 71 14.850 13.327 2.105 1.00 6.04 H new ATOM 0 HB3 ASN A 71 14.896 11.621 2.507 1.00 6.04 H new ATOM 0 HD21 ASN A 71 12.493 10.548 0.146 1.00 7.24 H new ATOM 0 HD22 ASN A 71 13.354 10.185 1.645 1.00 7.24 H new ATOM 1085 N GLY A 72 11.168 12.604 2.454 1.00 4.29 N ATOM 1086 CA GLY A 72 9.873 13.105 2.026 1.00 4.31 C ATOM 1087 C GLY A 72 9.231 12.164 1.004 1.00 3.51 C ATOM 1088 O GLY A 72 8.064 11.801 1.137 1.00 3.92 O ATOM 0 H GLY A 72 11.318 11.610 2.282 1.00 4.29 H new ATOM 0 HA2 GLY A 72 9.217 13.212 2.890 1.00 4.31 H new ATOM 0 HA3 GLY A 72 9.989 14.097 1.590 1.00 4.31 H new ATOM 1092 N THR A 73 10.023 11.797 0.007 1.00 3.04 N ATOM 1093 CA THR A 73 9.508 11.025 -1.111 1.00 2.71 C ATOM 1094 C THR A 73 9.864 9.546 -0.948 1.00 2.23 C ATOM 1095 O THR A 73 9.026 8.742 -0.544 1.00 2.83 O ATOM 1096 CB THR A 73 10.051 11.642 -2.402 1.00 3.10 C ATOM 1097 OG1 THR A 73 9.384 12.898 -2.493 1.00 3.86 O ATOM 1098 CG2 THR A 73 9.593 10.885 -3.650 1.00 3.05 C ATOM 0 H THR A 73 11.017 12.020 -0.050 1.00 3.04 H new ATOM 0 HA THR A 73 8.419 11.062 -1.148 1.00 2.71 H new ATOM 0 HB THR A 73 11.140 11.658 -2.367 1.00 3.10 H new ATOM 0 HG1 THR A 73 9.678 13.367 -3.302 1.00 3.86 H new ATOM 0 HG21 THR A 73 10.006 11.364 -4.538 1.00 3.05 H new ATOM 0 HG22 THR A 73 9.942 9.854 -3.598 1.00 3.05 H new ATOM 0 HG23 THR A 73 8.504 10.898 -3.704 1.00 3.05 H new ATOM 1106 N GLY A 74 11.110 9.231 -1.271 1.00 2.49 N ATOM 1107 CA GLY A 74 11.635 7.899 -1.023 1.00 2.42 C ATOM 1108 C GLY A 74 10.657 6.827 -1.507 1.00 2.48 C ATOM 1109 O GLY A 74 10.294 6.799 -2.682 1.00 3.56 O ATOM 0 H GLY A 74 11.772 9.876 -1.703 1.00 2.49 H new ATOM 0 HA2 GLY A 74 12.592 7.780 -1.532 1.00 2.42 H new ATOM 0 HA3 GLY A 74 11.823 7.771 0.043 1.00 2.42 H new ATOM 1113 N GLY A 75 10.259 5.971 -0.578 1.00 2.02 N ATOM 1114 CA GLY A 75 9.479 4.795 -0.927 1.00 2.54 C ATOM 1115 C GLY A 75 10.387 3.644 -1.360 1.00 1.99 C ATOM 1116 O GLY A 75 10.359 3.227 -2.517 1.00 2.58 O ATOM 0 H GLY A 75 10.462 6.068 0.417 1.00 2.02 H new ATOM 0 HA2 GLY A 75 8.877 4.486 -0.072 1.00 2.54 H new ATOM 0 HA3 GLY A 75 8.787 5.039 -1.732 1.00 2.54 H new ATOM 1120 N LYS A 76 11.170 3.160 -0.408 1.00 2.14 N ATOM 1121 CA LYS A 76 12.306 2.313 -0.731 1.00 2.31 C ATOM 1122 C LYS A 76 11.809 1.041 -1.421 1.00 1.93 C ATOM 1123 O LYS A 76 10.621 0.725 -1.366 1.00 1.94 O ATOM 1124 CB LYS A 76 13.149 2.046 0.519 1.00 3.47 C ATOM 1125 CG LYS A 76 12.337 1.296 1.576 1.00 5.26 C ATOM 1126 CD LYS A 76 13.249 0.710 2.655 1.00 6.44 C ATOM 1127 CE LYS A 76 13.900 1.819 3.484 1.00 7.06 C ATOM 1128 NZ LYS A 76 14.566 1.252 4.678 1.00 8.74 N ATOM 0 H LYS A 76 11.041 3.338 0.588 1.00 2.14 H new ATOM 0 HA LYS A 76 12.970 2.818 -1.433 1.00 2.31 H new ATOM 0 HB2 LYS A 76 14.030 1.463 0.250 1.00 3.47 H new ATOM 0 HB3 LYS A 76 13.505 2.990 0.931 1.00 3.47 H new ATOM 0 HG2 LYS A 76 11.615 1.973 2.033 1.00 5.26 H new ATOM 0 HG3 LYS A 76 11.768 0.496 1.102 1.00 5.26 H new ATOM 0 HD2 LYS A 76 12.672 0.054 3.307 1.00 6.44 H new ATOM 0 HD3 LYS A 76 14.021 0.097 2.190 1.00 6.44 H new ATOM 0 HE2 LYS A 76 14.627 2.356 2.876 1.00 7.06 H new ATOM 0 HE3 LYS A 76 13.145 2.542 3.791 1.00 7.06 H new ATOM 0 HZ1 LYS A 76 15.002 2.019 5.229 1.00 8.74 H new ATOM 0 HZ2 LYS A 76 13.864 0.759 5.266 1.00 8.74 H new ATOM 0 HZ3 LYS A 76 15.300 0.579 4.379 1.00 8.74 H new ATOM 1142 N SER A 77 12.742 0.347 -2.055 1.00 2.07 N ATOM 1143 CA SER A 77 12.416 -0.890 -2.744 1.00 1.83 C ATOM 1144 C SER A 77 13.690 -1.693 -3.010 1.00 1.54 C ATOM 1145 O SER A 77 14.796 -1.179 -2.852 1.00 1.68 O ATOM 1146 CB SER A 77 11.680 -0.611 -4.056 1.00 1.94 C ATOM 1147 OG SER A 77 11.528 -1.789 -4.844 1.00 2.53 O ATOM 0 H SER A 77 13.724 0.618 -2.106 1.00 2.07 H new ATOM 0 HA SER A 77 11.754 -1.474 -2.104 1.00 1.83 H new ATOM 0 HB2 SER A 77 10.698 -0.191 -3.839 1.00 1.94 H new ATOM 0 HB3 SER A 77 12.228 0.139 -4.627 1.00 1.94 H new ATOM 0 HG SER A 77 11.144 -2.503 -4.294 1.00 2.53 H new ATOM 1153 N ILE A 78 13.493 -2.942 -3.410 1.00 1.35 N ATOM 1154 CA ILE A 78 14.610 -3.849 -3.607 1.00 1.24 C ATOM 1155 C ILE A 78 15.266 -3.556 -4.958 1.00 1.17 C ATOM 1156 O ILE A 78 16.365 -4.035 -5.235 1.00 1.28 O ATOM 1157 CB ILE A 78 14.155 -5.301 -3.447 1.00 1.37 C ATOM 1158 CG1 ILE A 78 13.397 -5.778 -4.687 1.00 1.50 C ATOM 1159 CG2 ILE A 78 13.334 -5.480 -2.169 1.00 1.83 C ATOM 1160 CD1 ILE A 78 13.135 -7.284 -4.624 1.00 1.73 C ATOM 0 H ILE A 78 12.576 -3.346 -3.603 1.00 1.35 H new ATOM 0 HA ILE A 78 15.370 -3.691 -2.842 1.00 1.24 H new ATOM 0 HB ILE A 78 15.041 -5.928 -3.351 1.00 1.37 H new ATOM 0 HG12 ILE A 78 12.450 -5.244 -4.767 1.00 1.50 H new ATOM 0 HG13 ILE A 78 13.972 -5.543 -5.582 1.00 1.50 H new ATOM 0 HG21 ILE A 78 13.023 -6.521 -2.079 1.00 1.83 H new ATOM 0 HG22 ILE A 78 13.941 -5.207 -1.306 1.00 1.83 H new ATOM 0 HG23 ILE A 78 12.453 -4.840 -2.210 1.00 1.83 H new ATOM 0 HD11 ILE A 78 12.595 -7.597 -5.517 1.00 1.73 H new ATOM 0 HD12 ILE A 78 14.084 -7.816 -4.569 1.00 1.73 H new ATOM 0 HD13 ILE A 78 12.539 -7.513 -3.741 1.00 1.73 H new ATOM 1172 N TYR A 79 14.565 -2.770 -5.762 1.00 1.28 N ATOM 1173 CA TYR A 79 15.028 -2.473 -7.108 1.00 1.41 C ATOM 1174 C TYR A 79 15.606 -1.059 -7.188 1.00 1.57 C ATOM 1175 O TYR A 79 15.783 -0.518 -8.280 1.00 2.03 O ATOM 1176 CB TYR A 79 13.793 -2.559 -8.007 1.00 1.61 C ATOM 1177 CG TYR A 79 13.534 -3.956 -8.576 1.00 1.44 C ATOM 1178 CD1 TYR A 79 14.256 -4.401 -9.665 1.00 1.92 C ATOM 1179 CD2 TYR A 79 12.578 -4.769 -8.001 1.00 2.30 C ATOM 1180 CE1 TYR A 79 14.012 -5.716 -10.201 1.00 2.24 C ATOM 1181 CE2 TYR A 79 12.335 -6.082 -8.537 1.00 2.28 C ATOM 1182 CZ TYR A 79 13.063 -6.491 -9.611 1.00 1.81 C ATOM 1183 OH TYR A 79 12.833 -7.733 -10.117 1.00 2.21 O ATOM 0 H TYR A 79 13.681 -2.330 -5.508 1.00 1.28 H new ATOM 0 HA TYR A 79 15.812 -3.169 -7.408 1.00 1.41 H new ATOM 0 HB2 TYR A 79 12.919 -2.242 -7.438 1.00 1.61 H new ATOM 0 HB3 TYR A 79 13.908 -1.857 -8.833 1.00 1.61 H new ATOM 0 HD1 TYR A 79 15.003 -3.764 -10.115 1.00 1.92 H new ATOM 0 HD2 TYR A 79 12.013 -4.420 -7.149 1.00 2.30 H new ATOM 0 HE1 TYR A 79 14.570 -6.078 -11.052 1.00 2.24 H new ATOM 0 HE2 TYR A 79 11.591 -6.729 -8.096 1.00 2.28 H new ATOM 0 HH TYR A 79 12.598 -8.345 -9.388 1.00 2.21 H new ATOM 1193 N GLY A 80 15.884 -0.500 -6.020 1.00 1.45 N ATOM 1194 CA GLY A 80 16.519 0.805 -5.947 1.00 1.60 C ATOM 1195 C GLY A 80 15.477 1.914 -5.788 1.00 1.54 C ATOM 1196 O GLY A 80 15.473 2.880 -6.549 1.00 2.45 O ATOM 0 H GLY A 80 15.681 -0.927 -5.116 1.00 1.45 H new ATOM 0 HA2 GLY A 80 17.212 0.829 -5.106 1.00 1.60 H new ATOM 0 HA3 GLY A 80 17.106 0.979 -6.849 1.00 1.60 H new ATOM 1200 N GLU A 81 14.619 1.737 -4.794 1.00 2.31 N ATOM 1201 CA GLU A 81 13.668 2.775 -4.433 1.00 2.33 C ATOM 1202 C GLU A 81 12.451 2.726 -5.359 1.00 2.10 C ATOM 1203 O GLU A 81 11.312 2.739 -4.895 1.00 2.27 O ATOM 1204 CB GLU A 81 14.325 4.155 -4.465 1.00 2.54 C ATOM 1205 CG GLU A 81 13.596 5.132 -3.539 1.00 3.54 C ATOM 1206 CD GLU A 81 14.192 6.537 -3.646 1.00 3.50 C ATOM 1207 OE1 GLU A 81 15.400 6.666 -3.354 1.00 3.76 O ATOM 1208 OE2 GLU A 81 13.425 7.451 -4.018 1.00 4.06 O ATOM 0 H GLU A 81 14.562 0.891 -4.227 1.00 2.31 H new ATOM 0 HA GLU A 81 13.331 2.592 -3.413 1.00 2.33 H new ATOM 0 HB2 GLU A 81 15.369 4.072 -4.162 1.00 2.54 H new ATOM 0 HB3 GLU A 81 14.319 4.541 -5.484 1.00 2.54 H new ATOM 0 HG2 GLU A 81 12.537 5.162 -3.797 1.00 3.54 H new ATOM 0 HG3 GLU A 81 13.664 4.782 -2.509 1.00 3.54 H new ATOM 1215 N LYS A 82 12.733 2.669 -6.652 1.00 1.85 N ATOM 1216 CA LYS A 82 11.676 2.669 -7.650 1.00 1.61 C ATOM 1217 C LYS A 82 11.934 1.548 -8.659 1.00 1.53 C ATOM 1218 O LYS A 82 13.009 0.950 -8.668 1.00 1.66 O ATOM 1219 CB LYS A 82 11.542 4.052 -8.287 1.00 1.61 C ATOM 1220 CG LYS A 82 11.303 5.126 -7.224 1.00 2.72 C ATOM 1221 CD LYS A 82 11.444 6.528 -7.819 1.00 3.00 C ATOM 1222 CE LYS A 82 12.186 7.459 -6.859 1.00 4.06 C ATOM 1223 NZ LYS A 82 11.434 7.604 -5.593 1.00 5.78 N ATOM 0 H LYS A 82 13.678 2.622 -7.032 1.00 1.85 H new ATOM 0 HA LYS A 82 10.712 2.464 -7.185 1.00 1.61 H new ATOM 0 HB2 LYS A 82 12.446 4.286 -8.849 1.00 1.61 H new ATOM 0 HB3 LYS A 82 10.716 4.050 -8.999 1.00 1.61 H new ATOM 0 HG2 LYS A 82 10.307 5.006 -6.799 1.00 2.72 H new ATOM 0 HG3 LYS A 82 12.015 5.000 -6.408 1.00 2.72 H new ATOM 0 HD2 LYS A 82 11.981 6.473 -8.766 1.00 3.00 H new ATOM 0 HD3 LYS A 82 10.457 6.936 -8.036 1.00 3.00 H new ATOM 0 HE2 LYS A 82 13.181 7.063 -6.655 1.00 4.06 H new ATOM 0 HE3 LYS A 82 12.321 8.436 -7.323 1.00 4.06 H new ATOM 0 HZ1 LYS A 82 11.101 8.584 -5.498 1.00 5.78 H new ATOM 0 HZ2 LYS A 82 10.618 6.960 -5.598 1.00 5.78 H new ATOM 0 HZ3 LYS A 82 12.054 7.370 -4.792 1.00 5.78 H new ATOM 1237 N PHE A 83 10.929 1.297 -9.485 1.00 1.40 N ATOM 1238 CA PHE A 83 11.057 0.306 -10.541 1.00 1.44 C ATOM 1239 C PHE A 83 9.956 0.477 -11.590 1.00 1.28 C ATOM 1240 O PHE A 83 9.030 1.262 -11.399 1.00 1.13 O ATOM 1241 CB PHE A 83 10.912 -1.068 -9.885 1.00 1.63 C ATOM 1242 CG PHE A 83 9.512 -1.353 -9.340 1.00 1.56 C ATOM 1243 CD1 PHE A 83 9.144 -0.869 -8.123 1.00 3.17 C ATOM 1244 CD2 PHE A 83 8.633 -2.089 -10.072 1.00 1.64 C ATOM 1245 CE1 PHE A 83 7.843 -1.133 -7.618 1.00 3.55 C ATOM 1246 CE2 PHE A 83 7.333 -2.353 -9.567 1.00 1.81 C ATOM 1247 CZ PHE A 83 6.965 -1.870 -8.350 1.00 2.35 C ATOM 0 H PHE A 83 10.022 1.763 -9.445 1.00 1.40 H new ATOM 0 HA PHE A 83 12.019 0.418 -11.042 1.00 1.44 H new ATOM 0 HB2 PHE A 83 11.170 -1.836 -10.614 1.00 1.63 H new ATOM 0 HB3 PHE A 83 11.631 -1.148 -9.070 1.00 1.63 H new ATOM 0 HD1 PHE A 83 9.841 -0.284 -7.541 1.00 3.17 H new ATOM 0 HD2 PHE A 83 8.925 -2.473 -11.038 1.00 1.64 H new ATOM 0 HE1 PHE A 83 7.551 -0.748 -6.652 1.00 3.55 H new ATOM 0 HE2 PHE A 83 6.636 -2.937 -10.149 1.00 1.81 H new ATOM 0 HZ PHE A 83 5.976 -2.072 -7.965 1.00 2.35 H new ATOM 1257 N GLU A 84 10.095 -0.272 -12.674 1.00 1.39 N ATOM 1258 CA GLU A 84 9.231 -0.086 -13.827 1.00 1.30 C ATOM 1259 C GLU A 84 7.772 -0.345 -13.445 1.00 1.15 C ATOM 1260 O GLU A 84 7.492 -0.842 -12.355 1.00 1.22 O ATOM 1261 CB GLU A 84 9.662 -0.987 -14.986 1.00 1.53 C ATOM 1262 CG GLU A 84 9.502 -2.464 -14.622 1.00 2.84 C ATOM 1263 CD GLU A 84 10.812 -3.226 -14.830 1.00 3.41 C ATOM 1264 OE1 GLU A 84 11.736 -2.998 -14.021 1.00 4.38 O ATOM 1265 OE2 GLU A 84 10.860 -4.019 -15.795 1.00 3.68 O ATOM 0 H GLU A 84 10.793 -1.009 -12.778 1.00 1.39 H new ATOM 0 HA GLU A 84 9.321 0.948 -14.160 1.00 1.30 H new ATOM 0 HB2 GLU A 84 9.065 -0.760 -15.869 1.00 1.53 H new ATOM 0 HB3 GLU A 84 10.701 -0.783 -15.243 1.00 1.53 H new ATOM 0 HG2 GLU A 84 9.186 -2.554 -13.583 1.00 2.84 H new ATOM 0 HG3 GLU A 84 8.717 -2.910 -15.233 1.00 2.84 H new ATOM 1272 N ASP A 85 6.883 0.003 -14.363 1.00 1.11 N ATOM 1273 CA ASP A 85 5.466 -0.250 -14.165 1.00 1.08 C ATOM 1274 C ASP A 85 5.118 -1.635 -14.714 1.00 1.22 C ATOM 1275 O ASP A 85 5.989 -2.496 -14.834 1.00 2.17 O ATOM 1276 CB ASP A 85 4.614 0.780 -14.910 1.00 1.08 C ATOM 1277 CG ASP A 85 3.272 1.107 -14.252 1.00 1.75 C ATOM 1278 OD1 ASP A 85 3.299 1.841 -13.240 1.00 2.63 O ATOM 1279 OD2 ASP A 85 2.249 0.613 -14.773 1.00 2.81 O ATOM 0 H ASP A 85 7.116 0.458 -15.246 1.00 1.11 H new ATOM 0 HA ASP A 85 5.258 -0.187 -13.097 1.00 1.08 H new ATOM 0 HB2 ASP A 85 5.188 1.702 -15.007 1.00 1.08 H new ATOM 0 HB3 ASP A 85 4.427 0.413 -15.919 1.00 1.08 H new ATOM 1284 N GLU A 86 3.843 -1.808 -15.030 1.00 1.10 N ATOM 1285 CA GLU A 86 3.361 -3.088 -15.521 1.00 1.21 C ATOM 1286 C GLU A 86 2.372 -2.878 -16.669 1.00 1.08 C ATOM 1287 O GLU A 86 2.774 -2.766 -17.827 1.00 1.19 O ATOM 1288 CB GLU A 86 2.727 -3.904 -14.393 1.00 1.55 C ATOM 1289 CG GLU A 86 2.008 -2.995 -13.395 1.00 3.79 C ATOM 1290 CD GLU A 86 2.808 -2.865 -12.097 1.00 4.92 C ATOM 1291 OE1 GLU A 86 3.645 -1.939 -12.036 1.00 5.85 O ATOM 1292 OE2 GLU A 86 2.564 -3.694 -11.195 1.00 5.57 O ATOM 0 H GLU A 86 3.129 -1.083 -14.956 1.00 1.10 H new ATOM 0 HA GLU A 86 4.212 -3.654 -15.900 1.00 1.21 H new ATOM 0 HB2 GLU A 86 2.021 -4.621 -14.811 1.00 1.55 H new ATOM 0 HB3 GLU A 86 3.497 -4.478 -13.878 1.00 1.55 H new ATOM 0 HG2 GLU A 86 1.861 -2.009 -13.836 1.00 3.79 H new ATOM 0 HG3 GLU A 86 1.019 -3.398 -13.178 1.00 3.79 H new ATOM 1299 N ASN A 87 1.098 -2.832 -16.310 1.00 0.96 N ATOM 1300 CA ASN A 87 0.041 -2.753 -17.304 1.00 0.82 C ATOM 1301 C ASN A 87 -1.222 -2.182 -16.656 1.00 0.91 C ATOM 1302 O ASN A 87 -1.227 -1.871 -15.466 1.00 1.24 O ATOM 1303 CB ASN A 87 -0.297 -4.139 -17.857 1.00 0.90 C ATOM 1304 CG ASN A 87 -0.747 -5.080 -16.739 1.00 1.56 C ATOM 1305 OD1 ASN A 87 -1.873 -5.038 -16.272 1.00 2.95 O ATOM 1306 ND2 ASN A 87 0.192 -5.932 -16.338 1.00 1.16 N ATOM 0 H ASN A 87 0.773 -2.848 -15.343 1.00 0.96 H new ATOM 0 HA ASN A 87 0.388 -2.114 -18.116 1.00 0.82 H new ATOM 0 HB2 ASN A 87 -1.085 -4.054 -18.605 1.00 0.90 H new ATOM 0 HB3 ASN A 87 0.575 -4.557 -18.360 1.00 0.90 H new ATOM 0 HD21 ASN A 87 -0.011 -6.603 -15.597 1.00 1.16 H new ATOM 0 HD22 ASN A 87 1.115 -5.914 -16.771 1.00 1.16 H new ATOM 1313 N PHE A 88 -2.261 -2.060 -17.468 1.00 0.82 N ATOM 1314 CA PHE A 88 -3.539 -1.570 -16.981 1.00 0.98 C ATOM 1315 C PHE A 88 -4.667 -2.546 -17.321 1.00 0.98 C ATOM 1316 O PHE A 88 -5.769 -2.129 -17.673 1.00 1.04 O ATOM 1317 CB PHE A 88 -3.805 -0.237 -17.683 1.00 1.07 C ATOM 1318 CG PHE A 88 -2.683 0.790 -17.516 1.00 1.12 C ATOM 1319 CD1 PHE A 88 -2.410 1.305 -16.287 1.00 1.64 C ATOM 1320 CD2 PHE A 88 -1.958 1.187 -18.596 1.00 2.60 C ATOM 1321 CE1 PHE A 88 -1.369 2.258 -16.132 1.00 1.62 C ATOM 1322 CE2 PHE A 88 -0.916 2.140 -18.441 1.00 2.68 C ATOM 1323 CZ PHE A 88 -0.643 2.655 -17.212 1.00 1.28 C ATOM 0 H PHE A 88 -2.244 -2.292 -18.461 1.00 0.82 H new ATOM 0 HA PHE A 88 -3.505 -1.459 -15.897 1.00 0.98 H new ATOM 0 HB2 PHE A 88 -3.958 -0.422 -18.746 1.00 1.07 H new ATOM 0 HB3 PHE A 88 -4.732 0.187 -17.296 1.00 1.07 H new ATOM 0 HD1 PHE A 88 -2.985 0.989 -15.429 1.00 1.64 H new ATOM 0 HD2 PHE A 88 -2.175 0.778 -19.572 1.00 2.60 H new ATOM 0 HE1 PHE A 88 -1.153 2.668 -15.156 1.00 1.62 H new ATOM 0 HE2 PHE A 88 -0.341 2.456 -19.299 1.00 2.68 H new ATOM 0 HZ PHE A 88 0.150 3.379 -17.094 1.00 1.28 H new ATOM 1333 N ILE A 89 -4.352 -3.827 -17.203 1.00 0.95 N ATOM 1334 CA ILE A 89 -5.328 -4.867 -17.484 1.00 0.98 C ATOM 1335 C ILE A 89 -6.345 -4.927 -16.343 1.00 0.88 C ATOM 1336 O ILE A 89 -7.469 -5.391 -16.532 1.00 0.86 O ATOM 1337 CB ILE A 89 -4.628 -6.200 -17.755 1.00 1.06 C ATOM 1338 CG1 ILE A 89 -3.817 -6.140 -19.051 1.00 1.15 C ATOM 1339 CG2 ILE A 89 -5.631 -7.355 -17.760 1.00 1.13 C ATOM 1340 CD1 ILE A 89 -2.742 -7.228 -19.076 1.00 1.18 C ATOM 0 H ILE A 89 -3.435 -4.169 -16.917 1.00 0.95 H new ATOM 0 HA ILE A 89 -5.882 -4.634 -18.393 1.00 0.98 H new ATOM 0 HB ILE A 89 -3.925 -6.387 -16.943 1.00 1.06 H new ATOM 0 HG12 ILE A 89 -4.482 -6.261 -19.906 1.00 1.15 H new ATOM 0 HG13 ILE A 89 -3.350 -5.160 -19.147 1.00 1.15 H new ATOM 0 HG21 ILE A 89 -5.107 -8.291 -17.955 1.00 1.13 H new ATOM 0 HG22 ILE A 89 -6.126 -7.411 -16.790 1.00 1.13 H new ATOM 0 HG23 ILE A 89 -6.375 -7.187 -18.538 1.00 1.13 H new ATOM 0 HD11 ILE A 89 -2.180 -7.163 -20.008 1.00 1.18 H new ATOM 0 HD12 ILE A 89 -2.065 -7.090 -18.233 1.00 1.18 H new ATOM 0 HD13 ILE A 89 -3.214 -8.208 -19.005 1.00 1.18 H new ATOM 1352 N LEU A 90 -5.915 -4.451 -15.184 1.00 0.93 N ATOM 1353 CA LEU A 90 -6.755 -4.494 -13.999 1.00 0.81 C ATOM 1354 C LEU A 90 -7.632 -3.241 -13.955 1.00 0.89 C ATOM 1355 O LEU A 90 -7.421 -2.303 -14.723 1.00 1.18 O ATOM 1356 CB LEU A 90 -5.903 -4.693 -12.744 1.00 0.87 C ATOM 1357 CG LEU A 90 -5.060 -5.969 -12.702 1.00 1.09 C ATOM 1358 CD1 LEU A 90 -5.877 -7.181 -13.154 1.00 1.53 C ATOM 1359 CD2 LEU A 90 -3.776 -5.807 -13.518 1.00 2.79 C ATOM 0 H LEU A 90 -4.996 -4.033 -15.040 1.00 0.93 H new ATOM 0 HA LEU A 90 -7.426 -5.352 -14.039 1.00 0.81 H new ATOM 0 HB2 LEU A 90 -5.236 -3.837 -12.642 1.00 0.87 H new ATOM 0 HB3 LEU A 90 -6.563 -4.688 -11.876 1.00 0.87 H new ATOM 0 HG LEU A 90 -4.763 -6.147 -11.668 1.00 1.09 H new ATOM 0 HD11 LEU A 90 -5.254 -8.075 -13.115 1.00 1.53 H new ATOM 0 HD12 LEU A 90 -6.735 -7.308 -12.494 1.00 1.53 H new ATOM 0 HD13 LEU A 90 -6.224 -7.025 -14.175 1.00 1.53 H new ATOM 0 HD21 LEU A 90 -3.196 -6.729 -13.471 1.00 2.79 H new ATOM 0 HD22 LEU A 90 -4.029 -5.591 -14.556 1.00 2.79 H new ATOM 0 HD23 LEU A 90 -3.186 -4.986 -13.110 1.00 2.79 H new ATOM 1371 N LYS A 91 -8.597 -3.265 -13.047 1.00 0.74 N ATOM 1372 CA LYS A 91 -9.526 -2.155 -12.913 1.00 0.84 C ATOM 1373 C LYS A 91 -9.809 -1.909 -11.431 1.00 0.78 C ATOM 1374 O LYS A 91 -9.307 -2.630 -10.570 1.00 0.69 O ATOM 1375 CB LYS A 91 -10.784 -2.406 -13.747 1.00 0.93 C ATOM 1376 CG LYS A 91 -10.533 -2.101 -15.225 1.00 1.19 C ATOM 1377 CD LYS A 91 -11.786 -2.368 -16.061 1.00 1.35 C ATOM 1378 CE LYS A 91 -12.940 -1.465 -15.622 1.00 1.82 C ATOM 1379 NZ LYS A 91 -13.934 -1.328 -16.711 1.00 3.11 N ATOM 0 H LYS A 91 -8.756 -4.035 -12.397 1.00 0.74 H new ATOM 0 HA LYS A 91 -9.086 -1.240 -13.310 1.00 0.84 H new ATOM 0 HB2 LYS A 91 -11.098 -3.444 -13.635 1.00 0.93 H new ATOM 0 HB3 LYS A 91 -11.600 -1.784 -13.377 1.00 0.93 H new ATOM 0 HG2 LYS A 91 -10.231 -1.060 -15.339 1.00 1.19 H new ATOM 0 HG3 LYS A 91 -9.710 -2.714 -15.592 1.00 1.19 H new ATOM 0 HD2 LYS A 91 -11.567 -2.198 -17.115 1.00 1.35 H new ATOM 0 HD3 LYS A 91 -12.079 -3.413 -15.961 1.00 1.35 H new ATOM 0 HE2 LYS A 91 -13.418 -1.881 -14.735 1.00 1.82 H new ATOM 0 HE3 LYS A 91 -12.556 -0.483 -15.346 1.00 1.82 H new ATOM 0 HZ1 LYS A 91 -14.711 -0.712 -16.397 1.00 3.11 H new ATOM 0 HZ2 LYS A 91 -13.478 -0.910 -17.547 1.00 3.11 H new ATOM 0 HZ3 LYS A 91 -14.313 -2.265 -16.955 1.00 3.11 H new ATOM 1393 N HIS A 92 -10.615 -0.887 -11.176 1.00 0.87 N ATOM 1394 CA HIS A 92 -11.034 -0.585 -9.818 1.00 0.84 C ATOM 1395 C HIS A 92 -12.501 -0.979 -9.635 1.00 0.84 C ATOM 1396 O HIS A 92 -13.400 -0.202 -9.951 1.00 0.93 O ATOM 1397 CB HIS A 92 -10.768 0.883 -9.482 1.00 0.90 C ATOM 1398 CG HIS A 92 -9.339 1.173 -9.084 1.00 1.09 C ATOM 1399 ND1 HIS A 92 -8.550 2.097 -9.746 1.00 1.37 N ATOM 1400 CD2 HIS A 92 -8.568 0.651 -8.088 1.00 2.39 C ATOM 1401 CE1 HIS A 92 -7.359 2.123 -9.166 1.00 1.22 C ATOM 1402 NE2 HIS A 92 -7.373 1.225 -8.138 1.00 2.12 N ATOM 0 H HIS A 92 -10.988 -0.258 -11.887 1.00 0.87 H new ATOM 0 HA HIS A 92 -10.445 -1.171 -9.112 1.00 0.84 H new ATOM 0 HB2 HIS A 92 -11.025 1.495 -10.346 1.00 0.90 H new ATOM 0 HB3 HIS A 92 -11.429 1.185 -8.670 1.00 0.90 H new ATOM 0 HD1 HIS A 92 -8.837 2.662 -10.545 1.00 1.37 H new ATOM 0 HD2 HIS A 92 -8.878 -0.102 -7.379 1.00 2.39 H new ATOM 0 HE1 HIS A 92 -6.525 2.745 -9.455 1.00 1.22 H new ATOM 1410 N THR A 93 -12.698 -2.187 -9.125 1.00 0.77 N ATOM 1411 CA THR A 93 -14.040 -2.701 -8.918 1.00 0.82 C ATOM 1412 C THR A 93 -14.739 -1.932 -7.795 1.00 0.79 C ATOM 1413 O THR A 93 -15.964 -1.812 -7.789 1.00 0.94 O ATOM 1414 CB THR A 93 -13.934 -4.204 -8.650 1.00 0.83 C ATOM 1415 OG1 THR A 93 -12.863 -4.315 -7.715 1.00 0.68 O ATOM 1416 CG2 THR A 93 -13.444 -4.984 -9.872 1.00 0.94 C ATOM 0 H THR A 93 -11.950 -2.823 -8.850 1.00 0.77 H new ATOM 0 HA THR A 93 -14.660 -2.556 -9.803 1.00 0.82 H new ATOM 0 HB THR A 93 -14.907 -4.587 -8.341 1.00 0.83 H new ATOM 0 HG1 THR A 93 -13.087 -4.989 -7.040 1.00 0.68 H new ATOM 0 HG21 THR A 93 -13.387 -6.045 -9.628 1.00 0.94 H new ATOM 0 HG22 THR A 93 -14.139 -4.839 -10.699 1.00 0.94 H new ATOM 0 HG23 THR A 93 -12.456 -4.625 -10.161 1.00 0.94 H new ATOM 1424 N GLY A 94 -13.931 -1.430 -6.873 1.00 0.67 N ATOM 1425 CA GLY A 94 -14.454 -0.652 -5.764 1.00 0.63 C ATOM 1426 C GLY A 94 -13.553 -0.777 -4.533 1.00 0.60 C ATOM 1427 O GLY A 94 -12.331 -0.688 -4.642 1.00 0.59 O ATOM 0 H GLY A 94 -12.918 -1.547 -6.872 1.00 0.67 H new ATOM 0 HA2 GLY A 94 -14.534 0.395 -6.056 1.00 0.63 H new ATOM 0 HA3 GLY A 94 -15.460 -0.992 -5.519 1.00 0.63 H new ATOM 1431 N PRO A 95 -14.209 -0.989 -3.360 1.00 0.60 N ATOM 1432 CA PRO A 95 -13.482 -1.097 -2.107 1.00 0.60 C ATOM 1433 C PRO A 95 -12.777 -2.451 -1.996 1.00 0.58 C ATOM 1434 O PRO A 95 -13.271 -3.454 -2.508 1.00 0.60 O ATOM 1435 CB PRO A 95 -14.530 -0.883 -1.026 1.00 0.63 C ATOM 1436 CG PRO A 95 -15.873 -1.125 -1.693 1.00 0.65 C ATOM 1437 CD PRO A 95 -15.653 -1.129 -3.197 1.00 0.63 C ATOM 0 HA PRO A 95 -12.682 -0.362 -2.020 1.00 0.60 H new ATOM 0 HB2 PRO A 95 -14.378 -1.570 -0.194 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -14.472 0.127 -0.620 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -16.296 -2.075 -1.367 1.00 0.65 H new ATOM 0 HG3 PRO A 95 -16.584 -0.347 -1.413 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -16.015 -2.053 -3.648 1.00 0.63 H new ATOM 0 HD3 PRO A 95 -16.187 -0.309 -3.678 1.00 0.63 H new ATOM 1445 N GLY A 96 -11.636 -2.434 -1.325 1.00 0.59 N ATOM 1446 CA GLY A 96 -10.886 -3.657 -1.095 1.00 0.59 C ATOM 1447 C GLY A 96 -9.967 -3.968 -2.280 1.00 0.61 C ATOM 1448 O GLY A 96 -9.755 -5.131 -2.616 1.00 0.81 O ATOM 0 H GLY A 96 -11.212 -1.593 -0.933 1.00 0.59 H new ATOM 0 HA2 GLY A 96 -10.293 -3.558 -0.186 1.00 0.59 H new ATOM 0 HA3 GLY A 96 -11.575 -4.486 -0.937 1.00 0.59 H new ATOM 1452 N ILE A 97 -9.448 -2.905 -2.878 1.00 0.55 N ATOM 1453 CA ILE A 97 -8.570 -3.049 -4.028 1.00 0.56 C ATOM 1454 C ILE A 97 -7.243 -2.344 -3.741 1.00 0.60 C ATOM 1455 O ILE A 97 -7.227 -1.216 -3.252 1.00 0.69 O ATOM 1456 CB ILE A 97 -9.267 -2.556 -5.298 1.00 0.62 C ATOM 1457 CG1 ILE A 97 -10.506 -3.399 -5.606 1.00 1.12 C ATOM 1458 CG2 ILE A 97 -8.293 -2.517 -6.477 1.00 0.79 C ATOM 1459 CD1 ILE A 97 -10.120 -4.716 -6.282 1.00 0.93 C ATOM 0 H ILE A 97 -9.618 -1.942 -2.588 1.00 0.55 H new ATOM 0 HA ILE A 97 -8.341 -4.100 -4.205 1.00 0.56 H new ATOM 0 HB ILE A 97 -9.607 -1.535 -5.127 1.00 0.62 H new ATOM 0 HG12 ILE A 97 -11.048 -3.605 -4.683 1.00 1.12 H new ATOM 0 HG13 ILE A 97 -11.180 -2.838 -6.253 1.00 1.12 H new ATOM 0 HG21 ILE A 97 -8.813 -2.163 -7.367 1.00 0.79 H new ATOM 0 HG22 ILE A 97 -7.469 -1.842 -6.246 1.00 0.79 H new ATOM 0 HG23 ILE A 97 -7.902 -3.518 -6.659 1.00 0.79 H new ATOM 0 HD11 ILE A 97 -11.019 -5.296 -6.490 1.00 0.93 H new ATOM 0 HD12 ILE A 97 -9.599 -4.506 -7.216 1.00 0.93 H new ATOM 0 HD13 ILE A 97 -9.466 -5.286 -5.622 1.00 0.93 H new ATOM 1471 N LEU A 98 -6.161 -3.040 -4.059 1.00 0.64 N ATOM 1472 CA LEU A 98 -4.832 -2.539 -3.749 1.00 0.72 C ATOM 1473 C LEU A 98 -4.261 -1.830 -4.979 1.00 0.78 C ATOM 1474 O LEU A 98 -3.756 -2.477 -5.896 1.00 0.77 O ATOM 1475 CB LEU A 98 -3.944 -3.668 -3.223 1.00 0.77 C ATOM 1476 CG LEU A 98 -2.728 -3.236 -2.401 1.00 0.94 C ATOM 1477 CD1 LEU A 98 -2.490 -4.191 -1.229 1.00 0.92 C ATOM 1478 CD2 LEU A 98 -1.489 -3.096 -3.287 1.00 2.07 C ATOM 0 H LEU A 98 -6.177 -3.946 -4.528 1.00 0.64 H new ATOM 0 HA LEU A 98 -4.879 -1.802 -2.948 1.00 0.72 H new ATOM 0 HB2 LEU A 98 -4.556 -4.329 -2.610 1.00 0.77 H new ATOM 0 HB3 LEU A 98 -3.594 -4.254 -4.073 1.00 0.77 H new ATOM 0 HG LEU A 98 -2.934 -2.253 -1.978 1.00 0.94 H new ATOM 0 HD11 LEU A 98 -1.620 -3.861 -0.661 1.00 0.92 H new ATOM 0 HD12 LEU A 98 -3.366 -4.196 -0.580 1.00 0.92 H new ATOM 0 HD13 LEU A 98 -2.314 -5.197 -1.609 1.00 0.92 H new ATOM 0 HD21 LEU A 98 -0.639 -2.788 -2.678 1.00 2.07 H new ATOM 0 HD22 LEU A 98 -1.269 -4.054 -3.759 1.00 2.07 H new ATOM 0 HD23 LEU A 98 -1.675 -2.346 -4.056 1.00 2.07 H new ATOM 1490 N SER A 99 -4.359 -0.509 -4.959 1.00 0.99 N ATOM 1491 CA SER A 99 -3.847 0.297 -6.055 1.00 1.03 C ATOM 1492 C SER A 99 -2.413 0.739 -5.754 1.00 0.84 C ATOM 1493 O SER A 99 -1.885 0.456 -4.679 1.00 0.69 O ATOM 1494 CB SER A 99 -4.738 1.516 -6.305 1.00 1.14 C ATOM 1495 OG SER A 99 -4.472 2.568 -5.383 1.00 2.27 O ATOM 0 H SER A 99 -4.785 0.024 -4.201 1.00 0.99 H new ATOM 0 HA SER A 99 -3.850 -0.312 -6.959 1.00 1.03 H new ATOM 0 HB2 SER A 99 -4.582 1.877 -7.322 1.00 1.14 H new ATOM 0 HB3 SER A 99 -5.785 1.222 -6.228 1.00 1.14 H new ATOM 0 HG SER A 99 -4.446 2.206 -4.473 1.00 2.27 H new ATOM 1501 N MET A 100 -1.826 1.427 -6.722 1.00 1.07 N ATOM 1502 CA MET A 100 -0.437 1.838 -6.609 1.00 0.93 C ATOM 1503 C MET A 100 -0.319 3.363 -6.547 1.00 0.90 C ATOM 1504 O MET A 100 -1.321 4.071 -6.638 1.00 1.70 O ATOM 1505 CB MET A 100 0.350 1.315 -7.813 1.00 1.30 C ATOM 1506 CG MET A 100 0.307 -0.213 -7.873 1.00 2.03 C ATOM 1507 SD MET A 100 1.563 -0.816 -8.990 1.00 2.70 S ATOM 1508 CE MET A 100 2.986 -0.762 -7.914 1.00 2.02 C ATOM 0 H MET A 100 -2.286 1.710 -7.587 1.00 1.07 H new ATOM 0 HA MET A 100 -0.029 1.422 -5.688 1.00 0.93 H new ATOM 0 HB2 MET A 100 -0.065 1.731 -8.731 1.00 1.30 H new ATOM 0 HB3 MET A 100 1.385 1.651 -7.750 1.00 1.30 H new ATOM 0 HG2 MET A 100 0.464 -0.629 -6.878 1.00 2.03 H new ATOM 0 HG3 MET A 100 -0.677 -0.545 -8.206 1.00 2.03 H new ATOM 0 HE1 MET A 100 3.859 -0.440 -8.481 1.00 2.02 H new ATOM 0 HE2 MET A 100 2.802 -0.059 -7.102 1.00 2.02 H new ATOM 0 HE3 MET A 100 3.167 -1.754 -7.501 1.00 2.02 H new ATOM 1518 N ALA A 101 0.913 3.824 -6.392 1.00 0.68 N ATOM 1519 CA ALA A 101 1.183 5.252 -6.391 1.00 0.71 C ATOM 1520 C ALA A 101 2.506 5.517 -7.111 1.00 0.89 C ATOM 1521 O ALA A 101 3.461 4.755 -6.965 1.00 1.64 O ATOM 1522 CB ALA A 101 1.190 5.769 -4.950 1.00 0.71 C ATOM 0 H ALA A 101 1.736 3.234 -6.266 1.00 0.68 H new ATOM 0 HA ALA A 101 0.402 5.791 -6.928 1.00 0.71 H new ATOM 0 HB1 ALA A 101 1.392 6.840 -4.949 1.00 0.71 H new ATOM 0 HB2 ALA A 101 0.219 5.583 -4.492 1.00 0.71 H new ATOM 0 HB3 ALA A 101 1.964 5.253 -4.382 1.00 0.71 H new ATOM 1528 N ASN A 102 2.521 6.600 -7.875 1.00 0.91 N ATOM 1529 CA ASN A 102 3.668 6.910 -8.711 1.00 1.00 C ATOM 1530 C ASN A 102 3.611 8.384 -9.120 1.00 0.97 C ATOM 1531 O ASN A 102 2.537 8.984 -9.141 1.00 1.03 O ATOM 1532 CB ASN A 102 3.666 6.064 -9.986 1.00 1.13 C ATOM 1533 CG ASN A 102 2.243 5.868 -10.511 1.00 1.79 C ATOM 1534 OD1 ASN A 102 1.639 6.755 -11.090 1.00 2.96 O ATOM 1535 ND2 ASN A 102 1.743 4.658 -10.276 1.00 2.31 N ATOM 0 H ASN A 102 1.757 7.273 -7.932 1.00 0.91 H new ATOM 0 HA ASN A 102 4.571 6.696 -8.139 1.00 1.00 H new ATOM 0 HB2 ASN A 102 4.276 6.548 -10.749 1.00 1.13 H new ATOM 0 HB3 ASN A 102 4.120 5.094 -9.784 1.00 1.13 H new ATOM 0 HD21 ASN A 102 0.799 4.427 -10.587 1.00 2.31 H new ATOM 0 HD22 ASN A 102 2.303 3.961 -9.785 1.00 2.31 H new ATOM 1542 N ALA A 103 4.779 8.923 -9.437 1.00 1.03 N ATOM 1543 CA ALA A 103 4.874 10.312 -9.850 1.00 1.07 C ATOM 1544 C ALA A 103 5.338 10.377 -11.307 1.00 1.08 C ATOM 1545 O ALA A 103 6.005 11.329 -11.708 1.00 1.24 O ATOM 1546 CB ALA A 103 5.815 11.062 -8.905 1.00 1.18 C ATOM 0 H ALA A 103 5.667 8.422 -9.416 1.00 1.03 H new ATOM 0 HA ALA A 103 3.899 10.796 -9.793 1.00 1.07 H new ATOM 0 HB1 ALA A 103 5.887 12.105 -9.215 1.00 1.18 H new ATOM 0 HB2 ALA A 103 5.426 11.011 -7.888 1.00 1.18 H new ATOM 0 HB3 ALA A 103 6.804 10.605 -8.938 1.00 1.18 H new ATOM 1552 N GLY A 104 4.967 9.350 -12.059 1.00 1.03 N ATOM 1553 CA GLY A 104 5.420 9.227 -13.433 1.00 1.13 C ATOM 1554 C GLY A 104 5.788 7.778 -13.763 1.00 1.16 C ATOM 1555 O GLY A 104 5.529 6.874 -12.970 1.00 1.10 O ATOM 0 H GLY A 104 4.358 8.596 -11.742 1.00 1.03 H new ATOM 0 HA2 GLY A 104 4.637 9.570 -14.110 1.00 1.13 H new ATOM 0 HA3 GLY A 104 6.285 9.871 -13.593 1.00 1.13 H new ATOM 1559 N PRO A 105 6.400 7.599 -14.963 1.00 1.35 N ATOM 1560 CA PRO A 105 6.784 6.273 -15.416 1.00 1.48 C ATOM 1561 C PRO A 105 8.025 5.776 -14.671 1.00 1.41 C ATOM 1562 O PRO A 105 9.054 6.449 -14.655 1.00 1.43 O ATOM 1563 CB PRO A 105 7.009 6.418 -16.912 1.00 1.78 C ATOM 1564 CG PRO A 105 7.195 7.906 -17.163 1.00 1.80 C ATOM 1565 CD PRO A 105 6.741 8.649 -15.918 1.00 1.53 C ATOM 0 HA PRO A 105 6.021 5.522 -15.212 1.00 1.48 H new ATOM 0 HB2 PRO A 105 7.886 5.855 -17.231 1.00 1.78 H new ATOM 0 HB3 PRO A 105 6.159 6.030 -17.474 1.00 1.78 H new ATOM 0 HG2 PRO A 105 8.240 8.129 -17.381 1.00 1.80 H new ATOM 0 HG3 PRO A 105 6.614 8.222 -18.029 1.00 1.80 H new ATOM 0 HD2 PRO A 105 7.530 9.294 -15.532 1.00 1.53 H new ATOM 0 HD3 PRO A 105 5.882 9.287 -16.129 1.00 1.53 H new ATOM 1573 N ASN A 106 7.885 4.603 -14.071 1.00 1.47 N ATOM 1574 CA ASN A 106 9.004 3.974 -13.389 1.00 1.57 C ATOM 1575 C ASN A 106 9.418 4.837 -12.196 1.00 1.44 C ATOM 1576 O ASN A 106 10.606 5.079 -11.984 1.00 1.55 O ATOM 1577 CB ASN A 106 10.211 3.841 -14.319 1.00 1.82 C ATOM 1578 CG ASN A 106 11.212 2.820 -13.775 1.00 3.80 C ATOM 1579 OD1 ASN A 106 11.406 2.678 -12.579 1.00 5.25 O ATOM 1580 ND2 ASN A 106 11.834 2.117 -14.718 1.00 4.35 N ATOM 0 H ASN A 106 7.015 4.072 -14.043 1.00 1.47 H new ATOM 0 HA ASN A 106 8.688 2.982 -13.065 1.00 1.57 H new ATOM 0 HB2 ASN A 106 9.878 3.536 -15.311 1.00 1.82 H new ATOM 0 HB3 ASN A 106 10.698 4.810 -14.430 1.00 1.82 H new ATOM 0 HD21 ASN A 106 12.520 1.409 -14.457 1.00 4.35 H new ATOM 0 HD22 ASN A 106 11.625 2.286 -15.702 1.00 4.35 H new ATOM 1587 N THR A 107 8.417 5.277 -11.448 1.00 1.31 N ATOM 1588 CA THR A 107 8.666 5.956 -10.188 1.00 1.32 C ATOM 1589 C THR A 107 8.017 5.192 -9.032 1.00 1.35 C ATOM 1590 O THR A 107 8.189 5.554 -7.870 1.00 1.91 O ATOM 1591 CB THR A 107 8.167 7.396 -10.320 1.00 1.29 C ATOM 1592 OG1 THR A 107 6.747 7.273 -10.313 1.00 2.72 O ATOM 1593 CG2 THR A 107 8.482 8.002 -11.689 1.00 1.58 C ATOM 0 H THR A 107 7.431 5.176 -11.691 1.00 1.31 H new ATOM 0 HA THR A 107 9.731 5.985 -9.959 1.00 1.32 H new ATOM 0 HB THR A 107 8.618 8.009 -9.540 1.00 1.29 H new ATOM 0 HG1 THR A 107 6.427 7.130 -11.228 1.00 2.72 H new ATOM 0 HG21 THR A 107 8.106 9.024 -11.729 1.00 1.58 H new ATOM 0 HG22 THR A 107 9.561 8.005 -11.846 1.00 1.58 H new ATOM 0 HG23 THR A 107 8.004 7.409 -12.468 1.00 1.58 H new ATOM 1601 N ASN A 108 7.285 4.148 -9.393 1.00 1.18 N ATOM 1602 CA ASN A 108 6.528 3.390 -8.411 1.00 1.30 C ATOM 1603 C ASN A 108 7.496 2.610 -7.520 1.00 1.30 C ATOM 1604 O ASN A 108 8.403 1.943 -8.017 1.00 1.47 O ATOM 1605 CB ASN A 108 5.597 2.383 -9.091 1.00 1.60 C ATOM 1606 CG ASN A 108 4.248 2.313 -8.372 1.00 2.98 C ATOM 1607 OD1 ASN A 108 3.199 2.570 -8.938 1.00 3.76 O ATOM 1608 ND2 ASN A 108 4.335 1.949 -7.095 1.00 4.34 N ATOM 0 H ASN A 108 7.200 3.809 -10.351 1.00 1.18 H new ATOM 0 HA ASN A 108 5.935 4.093 -7.826 1.00 1.30 H new ATOM 0 HB2 ASN A 108 5.444 2.668 -10.132 1.00 1.60 H new ATOM 0 HB3 ASN A 108 6.062 1.397 -9.096 1.00 1.60 H new ATOM 0 HD21 ASN A 108 3.491 1.871 -6.528 1.00 4.34 H new ATOM 0 HD22 ASN A 108 5.246 1.748 -6.683 1.00 4.34 H new ATOM 1615 N GLY A 109 7.271 2.719 -6.219 1.00 1.44 N ATOM 1616 CA GLY A 109 8.037 1.943 -5.258 1.00 1.71 C ATOM 1617 C GLY A 109 7.134 0.983 -4.483 1.00 1.77 C ATOM 1618 O GLY A 109 6.146 0.484 -5.021 1.00 3.18 O ATOM 0 H GLY A 109 6.569 3.333 -5.807 1.00 1.44 H new ATOM 0 HA2 GLY A 109 8.813 1.379 -5.776 1.00 1.71 H new ATOM 0 HA3 GLY A 109 8.541 2.614 -4.563 1.00 1.71 H new ATOM 1622 N SER A 110 7.503 0.753 -3.232 1.00 1.58 N ATOM 1623 CA SER A 110 6.734 -0.133 -2.375 1.00 1.73 C ATOM 1624 C SER A 110 5.501 0.597 -1.839 1.00 1.60 C ATOM 1625 O SER A 110 4.625 -0.019 -1.235 1.00 2.48 O ATOM 1626 CB SER A 110 7.587 -0.655 -1.217 1.00 2.32 C ATOM 1627 OG SER A 110 8.749 -1.341 -1.676 1.00 3.22 O ATOM 0 H SER A 110 8.325 1.165 -2.791 1.00 1.58 H new ATOM 0 HA SER A 110 6.412 -0.989 -2.968 1.00 1.73 H new ATOM 0 HB2 SER A 110 7.886 0.179 -0.582 1.00 2.32 H new ATOM 0 HB3 SER A 110 6.989 -1.327 -0.601 1.00 2.32 H new ATOM 0 HG SER A 110 9.519 -0.735 -1.648 1.00 3.22 H new ATOM 1633 N GLN A 111 5.473 1.900 -2.080 1.00 1.10 N ATOM 1634 CA GLN A 111 4.321 2.704 -1.710 1.00 1.15 C ATOM 1635 C GLN A 111 3.120 2.345 -2.587 1.00 1.14 C ATOM 1636 O GLN A 111 3.080 2.693 -3.765 1.00 1.73 O ATOM 1637 CB GLN A 111 4.642 4.198 -1.805 1.00 1.33 C ATOM 1638 CG GLN A 111 4.964 4.598 -3.246 1.00 2.46 C ATOM 1639 CD GLN A 111 5.921 5.791 -3.283 1.00 3.16 C ATOM 1640 OE1 GLN A 111 5.589 6.899 -2.895 1.00 3.70 O ATOM 1641 NE2 GLN A 111 7.125 5.503 -3.768 1.00 4.13 N ATOM 0 H GLN A 111 6.229 2.418 -2.527 1.00 1.10 H new ATOM 0 HA GLN A 111 4.067 2.485 -0.673 1.00 1.15 H new ATOM 0 HB2 GLN A 111 3.794 4.780 -1.443 1.00 1.33 H new ATOM 0 HB3 GLN A 111 5.489 4.434 -1.160 1.00 1.33 H new ATOM 0 HG2 GLN A 111 5.410 3.753 -3.771 1.00 2.46 H new ATOM 0 HG3 GLN A 111 4.043 4.850 -3.772 1.00 2.46 H new ATOM 0 HE21 GLN A 111 7.337 4.554 -4.076 1.00 4.13 H new ATOM 0 HE22 GLN A 111 7.836 6.231 -3.832 1.00 4.13 H new ATOM 1650 N PHE A 112 2.169 1.652 -1.976 1.00 0.87 N ATOM 1651 CA PHE A 112 0.931 1.319 -2.659 1.00 0.90 C ATOM 1652 C PHE A 112 -0.200 2.257 -2.233 1.00 1.14 C ATOM 1653 O PHE A 112 0.043 3.413 -1.890 1.00 1.93 O ATOM 1654 CB PHE A 112 0.569 -0.112 -2.257 1.00 1.03 C ATOM 1655 CG PHE A 112 1.777 -1.038 -2.096 1.00 1.94 C ATOM 1656 CD1 PHE A 112 2.569 -1.313 -3.167 1.00 3.60 C ATOM 1657 CD2 PHE A 112 2.058 -1.585 -0.883 1.00 2.30 C ATOM 1658 CE1 PHE A 112 3.690 -2.172 -3.018 1.00 4.84 C ATOM 1659 CE2 PHE A 112 3.179 -2.444 -0.735 1.00 3.45 C ATOM 1660 CZ PHE A 112 3.971 -2.719 -1.805 1.00 4.53 C ATOM 0 H PHE A 112 2.232 1.313 -1.016 1.00 0.87 H new ATOM 0 HA PHE A 112 1.063 1.418 -3.736 1.00 0.90 H new ATOM 0 HB2 PHE A 112 0.017 -0.086 -1.318 1.00 1.03 H new ATOM 0 HB3 PHE A 112 -0.100 -0.531 -3.009 1.00 1.03 H new ATOM 0 HD1 PHE A 112 2.346 -0.878 -4.130 1.00 3.60 H new ATOM 0 HD2 PHE A 112 1.429 -1.366 -0.033 1.00 2.30 H new ATOM 0 HE1 PHE A 112 4.319 -2.391 -3.868 1.00 4.84 H new ATOM 0 HE2 PHE A 112 3.402 -2.879 0.228 1.00 3.45 H new ATOM 0 HZ PHE A 112 4.824 -3.372 -1.692 1.00 4.53 H new ATOM 1670 N PHE A 113 -1.413 1.725 -2.269 1.00 0.76 N ATOM 1671 CA PHE A 113 -2.556 2.429 -1.714 1.00 0.86 C ATOM 1672 C PHE A 113 -3.831 1.593 -1.842 1.00 0.86 C ATOM 1673 O PHE A 113 -4.264 1.280 -2.951 1.00 1.50 O ATOM 1674 CB PHE A 113 -2.724 3.717 -2.522 1.00 1.12 C ATOM 1675 CG PHE A 113 -2.763 4.987 -1.668 1.00 1.83 C ATOM 1676 CD1 PHE A 113 -1.894 5.137 -0.634 1.00 2.97 C ATOM 1677 CD2 PHE A 113 -3.667 5.964 -1.946 1.00 2.99 C ATOM 1678 CE1 PHE A 113 -1.931 6.315 0.159 1.00 4.52 C ATOM 1679 CE2 PHE A 113 -3.703 7.143 -1.154 1.00 4.34 C ATOM 1680 CZ PHE A 113 -2.835 7.293 -0.118 1.00 4.94 C ATOM 0 H PHE A 113 -1.629 0.814 -2.674 1.00 0.76 H new ATOM 0 HA PHE A 113 -2.390 2.630 -0.656 1.00 0.86 H new ATOM 0 HB2 PHE A 113 -1.903 3.796 -3.235 1.00 1.12 H new ATOM 0 HB3 PHE A 113 -3.645 3.653 -3.102 1.00 1.12 H new ATOM 0 HD1 PHE A 113 -1.176 4.361 -0.415 1.00 2.97 H new ATOM 0 HD2 PHE A 113 -4.357 5.844 -2.768 1.00 2.99 H new ATOM 0 HE1 PHE A 113 -1.242 6.434 0.982 1.00 4.52 H new ATOM 0 HE2 PHE A 113 -4.420 7.920 -1.375 1.00 4.34 H new ATOM 0 HZ PHE A 113 -2.863 8.189 0.485 1.00 4.94 H new ATOM 1690 N ILE A 114 -4.396 1.253 -0.692 1.00 0.70 N ATOM 1691 CA ILE A 114 -5.604 0.447 -0.662 1.00 0.64 C ATOM 1692 C ILE A 114 -6.821 1.350 -0.871 1.00 0.61 C ATOM 1693 O ILE A 114 -7.130 2.187 -0.025 1.00 0.96 O ATOM 1694 CB ILE A 114 -5.665 -0.379 0.625 1.00 0.70 C ATOM 1695 CG1 ILE A 114 -4.521 -1.395 0.679 1.00 0.91 C ATOM 1696 CG2 ILE A 114 -7.032 -1.046 0.785 1.00 0.81 C ATOM 1697 CD1 ILE A 114 -4.015 -1.575 2.112 1.00 0.96 C ATOM 0 H ILE A 114 -4.039 1.521 0.225 1.00 0.70 H new ATOM 0 HA ILE A 114 -5.600 -0.276 -1.478 1.00 0.64 H new ATOM 0 HB ILE A 114 -5.536 0.297 1.471 1.00 0.70 H new ATOM 0 HG12 ILE A 114 -4.862 -2.353 0.287 1.00 0.91 H new ATOM 0 HG13 ILE A 114 -3.703 -1.062 0.040 1.00 0.91 H new ATOM 0 HG21 ILE A 114 -7.048 -1.626 1.707 1.00 0.81 H new ATOM 0 HG22 ILE A 114 -7.808 -0.281 0.824 1.00 0.81 H new ATOM 0 HG23 ILE A 114 -7.216 -1.706 -0.062 1.00 0.81 H new ATOM 0 HD11 ILE A 114 -3.203 -2.302 2.122 1.00 0.96 H new ATOM 0 HD12 ILE A 114 -3.652 -0.620 2.492 1.00 0.96 H new ATOM 0 HD13 ILE A 114 -4.829 -1.932 2.743 1.00 0.96 H new ATOM 1709 N CYS A 115 -7.480 1.149 -2.003 1.00 0.53 N ATOM 1710 CA CYS A 115 -8.708 1.869 -2.293 1.00 0.52 C ATOM 1711 C CYS A 115 -9.842 1.226 -1.492 1.00 0.50 C ATOM 1712 O CYS A 115 -10.024 0.010 -1.534 1.00 0.69 O ATOM 1713 CB CYS A 115 -9.009 1.893 -3.792 1.00 0.65 C ATOM 1714 SG CYS A 115 -7.772 2.924 -4.663 1.00 1.53 S ATOM 0 H CYS A 115 -7.186 0.497 -2.731 1.00 0.53 H new ATOM 0 HA CYS A 115 -8.601 2.912 -1.995 1.00 0.52 H new ATOM 0 HB2 CYS A 115 -8.994 0.879 -4.190 1.00 0.65 H new ATOM 0 HB3 CYS A 115 -10.010 2.289 -3.964 1.00 0.65 H new ATOM 0 HG CYS A 115 -7.904 2.768 -5.947 1.00 1.53 H new ATOM 1720 N THR A 116 -10.576 2.071 -0.782 1.00 0.46 N ATOM 1721 CA THR A 116 -11.698 1.603 0.012 1.00 0.50 C ATOM 1722 C THR A 116 -13.012 2.161 -0.541 1.00 0.50 C ATOM 1723 O THR A 116 -13.979 2.328 0.200 1.00 0.62 O ATOM 1724 CB THR A 116 -11.440 1.989 1.470 1.00 0.61 C ATOM 1725 OG1 THR A 116 -10.065 1.680 1.672 1.00 1.21 O ATOM 1726 CG2 THR A 116 -12.177 1.080 2.455 1.00 1.19 C ATOM 0 H THR A 116 -10.415 3.077 -0.741 1.00 0.46 H new ATOM 0 HA THR A 116 -11.794 0.518 -0.040 1.00 0.50 H new ATOM 0 HB THR A 116 -11.746 3.022 1.632 1.00 0.61 H new ATOM 0 HG1 THR A 116 -9.737 2.152 2.466 1.00 1.21 H new ATOM 0 HG21 THR A 116 -11.960 1.397 3.475 1.00 1.19 H new ATOM 0 HG22 THR A 116 -13.250 1.144 2.276 1.00 1.19 H new ATOM 0 HG23 THR A 116 -11.847 0.050 2.317 1.00 1.19 H new ATOM 1734 N ALA A 117 -13.003 2.432 -1.838 1.00 0.46 N ATOM 1735 CA ALA A 117 -14.183 2.962 -2.500 1.00 0.49 C ATOM 1736 C ALA A 117 -13.977 2.913 -4.015 1.00 0.52 C ATOM 1737 O ALA A 117 -12.936 2.464 -4.490 1.00 0.56 O ATOM 1738 CB ALA A 117 -14.457 4.381 -1.994 1.00 0.57 C ATOM 0 H ALA A 117 -12.197 2.294 -2.448 1.00 0.46 H new ATOM 0 HA ALA A 117 -15.059 2.357 -2.267 1.00 0.49 H new ATOM 0 HB1 ALA A 117 -15.342 4.780 -2.490 1.00 0.57 H new ATOM 0 HB2 ALA A 117 -14.624 4.357 -0.917 1.00 0.57 H new ATOM 0 HB3 ALA A 117 -13.600 5.018 -2.214 1.00 0.57 H new ATOM 1744 N LYS A 118 -14.988 3.382 -4.732 1.00 0.58 N ATOM 1745 CA LYS A 118 -14.930 3.401 -6.184 1.00 0.67 C ATOM 1746 C LYS A 118 -14.065 4.578 -6.641 1.00 0.62 C ATOM 1747 O LYS A 118 -14.415 5.735 -6.413 1.00 0.91 O ATOM 1748 CB LYS A 118 -16.341 3.409 -6.776 1.00 0.89 C ATOM 1749 CG LYS A 118 -16.294 3.408 -8.306 1.00 1.19 C ATOM 1750 CD LYS A 118 -17.208 2.324 -8.882 1.00 1.45 C ATOM 1751 CE LYS A 118 -16.566 0.941 -8.757 1.00 2.85 C ATOM 1752 NZ LYS A 118 -17.505 -0.109 -9.210 1.00 4.09 N ATOM 0 H LYS A 118 -15.852 3.752 -4.335 1.00 0.58 H new ATOM 0 HA LYS A 118 -14.457 2.493 -6.558 1.00 0.67 H new ATOM 0 HB2 LYS A 118 -16.891 2.536 -6.425 1.00 0.89 H new ATOM 0 HB3 LYS A 118 -16.881 4.289 -6.426 1.00 0.89 H new ATOM 0 HG2 LYS A 118 -16.599 4.384 -8.683 1.00 1.19 H new ATOM 0 HG3 LYS A 118 -15.270 3.242 -8.642 1.00 1.19 H new ATOM 0 HD2 LYS A 118 -18.164 2.334 -8.358 1.00 1.45 H new ATOM 0 HD3 LYS A 118 -17.417 2.539 -9.930 1.00 1.45 H new ATOM 0 HE2 LYS A 118 -15.653 0.902 -9.352 1.00 2.85 H new ATOM 0 HE3 LYS A 118 -16.280 0.759 -7.721 1.00 2.85 H new ATOM 0 HZ1 LYS A 118 -17.204 -1.030 -8.832 1.00 4.09 H new ATOM 0 HZ2 LYS A 118 -18.462 0.110 -8.867 1.00 4.09 H new ATOM 0 HZ3 LYS A 118 -17.509 -0.146 -10.249 1.00 4.09 H new ATOM 1766 N THR A 119 -12.952 4.240 -7.276 1.00 0.60 N ATOM 1767 CA THR A 119 -12.072 5.253 -7.834 1.00 0.63 C ATOM 1768 C THR A 119 -11.962 5.087 -9.351 1.00 0.75 C ATOM 1769 O THR A 119 -11.013 4.482 -9.845 1.00 0.89 O ATOM 1770 CB THR A 119 -10.727 5.160 -7.113 1.00 0.76 C ATOM 1771 OG1 THR A 119 -10.301 3.820 -7.343 1.00 1.03 O ATOM 1772 CG2 THR A 119 -10.870 5.249 -5.592 1.00 0.77 C ATOM 0 H THR A 119 -12.640 3.279 -7.416 1.00 0.60 H new ATOM 0 HA THR A 119 -12.472 6.255 -7.677 1.00 0.63 H new ATOM 0 HB THR A 119 -10.072 5.958 -7.464 1.00 0.76 H new ATOM 0 HG1 THR A 119 -10.317 3.632 -8.305 1.00 1.03 H new ATOM 0 HG21 THR A 119 -9.886 5.178 -5.129 1.00 0.77 H new ATOM 0 HG22 THR A 119 -11.329 6.201 -5.325 1.00 0.77 H new ATOM 0 HG23 THR A 119 -11.498 4.432 -5.237 1.00 0.77 H new ATOM 1780 N GLU A 120 -12.948 5.636 -10.047 1.00 0.81 N ATOM 1781 CA GLU A 120 -13.048 5.440 -11.484 1.00 0.99 C ATOM 1782 C GLU A 120 -11.991 6.276 -12.208 1.00 0.79 C ATOM 1783 O GLU A 120 -11.671 6.010 -13.366 1.00 0.81 O ATOM 1784 CB GLU A 120 -14.453 5.776 -11.986 1.00 1.32 C ATOM 1785 CG GLU A 120 -14.681 7.289 -12.001 1.00 2.31 C ATOM 1786 CD GLU A 120 -16.155 7.618 -12.252 1.00 3.07 C ATOM 1787 OE1 GLU A 120 -16.895 7.710 -11.249 1.00 3.66 O ATOM 1788 OE2 GLU A 120 -16.508 7.771 -13.442 1.00 3.83 O ATOM 0 H GLU A 120 -13.684 6.216 -9.643 1.00 0.81 H new ATOM 0 HA GLU A 120 -12.862 4.388 -11.702 1.00 0.99 H new ATOM 0 HB2 GLU A 120 -14.591 5.374 -12.990 1.00 1.32 H new ATOM 0 HB3 GLU A 120 -15.196 5.299 -11.347 1.00 1.32 H new ATOM 0 HG2 GLU A 120 -14.366 7.718 -11.050 1.00 2.31 H new ATOM 0 HG3 GLU A 120 -14.065 7.746 -12.776 1.00 2.31 H new ATOM 1795 N TRP A 121 -11.478 7.270 -11.497 1.00 0.71 N ATOM 1796 CA TRP A 121 -10.559 8.222 -12.096 1.00 0.69 C ATOM 1797 C TRP A 121 -9.141 7.660 -11.962 1.00 0.73 C ATOM 1798 O TRP A 121 -8.186 8.251 -12.461 1.00 0.84 O ATOM 1799 CB TRP A 121 -10.716 9.607 -11.464 1.00 0.71 C ATOM 1800 CG TRP A 121 -10.071 9.737 -10.082 1.00 0.67 C ATOM 1801 CD1 TRP A 121 -8.812 10.087 -9.789 1.00 0.75 C ATOM 1802 CD2 TRP A 121 -10.711 9.503 -8.811 1.00 0.67 C ATOM 1803 NE1 TRP A 121 -8.594 10.096 -8.427 1.00 0.81 N ATOM 1804 CE2 TRP A 121 -9.785 9.729 -7.813 1.00 0.74 C ATOM 1805 CE3 TRP A 121 -12.029 9.113 -8.513 1.00 0.71 C ATOM 1806 CZ2 TRP A 121 -10.078 9.592 -6.451 1.00 0.81 C ATOM 1807 CZ3 TRP A 121 -12.305 8.980 -7.146 1.00 0.77 C ATOM 1808 CH2 TRP A 121 -11.385 9.204 -6.130 1.00 0.80 C ATOM 0 H TRP A 121 -11.682 7.436 -10.511 1.00 0.71 H new ATOM 0 HA TRP A 121 -10.780 8.358 -13.155 1.00 0.69 H new ATOM 0 HB2 TRP A 121 -10.278 10.351 -12.130 1.00 0.71 H new ATOM 0 HB3 TRP A 121 -11.778 9.839 -11.381 1.00 0.71 H new ATOM 0 HD1 TRP A 121 -8.062 10.331 -10.526 1.00 0.75 H new ATOM 0 HE1 TRP A 121 -7.719 10.329 -7.957 1.00 0.81 H new ATOM 0 HE3 TRP A 121 -12.770 8.930 -9.278 1.00 0.71 H new ATOM 0 HZ2 TRP A 121 -9.336 9.776 -5.688 1.00 0.81 H new ATOM 0 HZ3 TRP A 121 -13.304 8.682 -6.862 1.00 0.77 H new ATOM 0 HH2 TRP A 121 -11.676 9.080 -5.097 1.00 0.80 H new ATOM 1819 N LEU A 122 -9.052 6.525 -11.285 1.00 0.74 N ATOM 1820 CA LEU A 122 -7.782 5.830 -11.154 1.00 0.91 C ATOM 1821 C LEU A 122 -7.850 4.505 -11.917 1.00 1.10 C ATOM 1822 O LEU A 122 -6.890 3.737 -11.919 1.00 1.35 O ATOM 1823 CB LEU A 122 -7.407 5.673 -9.680 1.00 0.86 C ATOM 1824 CG LEU A 122 -7.308 6.968 -8.871 1.00 0.79 C ATOM 1825 CD1 LEU A 122 -7.084 6.672 -7.386 1.00 0.82 C ATOM 1826 CD2 LEU A 122 -6.227 7.889 -9.440 1.00 1.00 C ATOM 0 H LEU A 122 -9.838 6.069 -10.821 1.00 0.74 H new ATOM 0 HA LEU A 122 -6.979 6.415 -11.602 1.00 0.91 H new ATOM 0 HB2 LEU A 122 -8.145 5.027 -9.205 1.00 0.86 H new ATOM 0 HB3 LEU A 122 -6.448 5.158 -9.623 1.00 0.86 H new ATOM 0 HG LEU A 122 -8.258 7.496 -8.955 1.00 0.79 H new ATOM 0 HD11 LEU A 122 -7.017 7.610 -6.834 1.00 0.82 H new ATOM 0 HD12 LEU A 122 -7.918 6.084 -7.002 1.00 0.82 H new ATOM 0 HD13 LEU A 122 -6.157 6.112 -7.262 1.00 0.82 H new ATOM 0 HD21 LEU A 122 -6.178 8.802 -8.847 1.00 1.00 H new ATOM 0 HD22 LEU A 122 -5.263 7.382 -9.407 1.00 1.00 H new ATOM 0 HD23 LEU A 122 -6.470 8.140 -10.473 1.00 1.00 H new ATOM 1838 N ASP A 123 -8.994 4.279 -12.544 1.00 1.09 N ATOM 1839 CA ASP A 123 -9.251 3.005 -13.195 1.00 1.33 C ATOM 1840 C ASP A 123 -8.373 2.887 -14.442 1.00 1.59 C ATOM 1841 O ASP A 123 -8.372 3.777 -15.291 1.00 2.61 O ATOM 1842 CB ASP A 123 -10.713 2.896 -13.635 1.00 1.38 C ATOM 1843 CG ASP A 123 -11.116 1.536 -14.207 1.00 1.69 C ATOM 1844 OD1 ASP A 123 -11.469 0.658 -13.390 1.00 2.46 O ATOM 1845 OD2 ASP A 123 -11.062 1.404 -15.449 1.00 2.22 O ATOM 0 H ASP A 123 -9.754 4.956 -12.616 1.00 1.09 H new ATOM 0 HA ASP A 123 -9.028 2.212 -12.481 1.00 1.33 H new ATOM 0 HB2 ASP A 123 -11.352 3.117 -12.780 1.00 1.38 H new ATOM 0 HB3 ASP A 123 -10.909 3.662 -14.386 1.00 1.38 H new ATOM 1850 N GLY A 124 -7.646 1.781 -14.512 1.00 2.30 N ATOM 1851 CA GLY A 124 -6.757 1.540 -15.637 1.00 2.59 C ATOM 1852 C GLY A 124 -5.803 2.718 -15.844 1.00 2.44 C ATOM 1853 O GLY A 124 -5.379 2.987 -16.967 1.00 2.99 O ATOM 0 H GLY A 124 -7.654 1.042 -13.809 1.00 2.30 H new ATOM 0 HA2 GLY A 124 -6.184 0.629 -15.463 1.00 2.59 H new ATOM 0 HA3 GLY A 124 -7.344 1.380 -16.541 1.00 2.59 H new ATOM 1857 N LYS A 125 -5.496 3.390 -14.744 1.00 1.98 N ATOM 1858 CA LYS A 125 -4.669 4.584 -14.803 1.00 2.10 C ATOM 1859 C LYS A 125 -3.501 4.439 -13.826 1.00 1.66 C ATOM 1860 O LYS A 125 -2.343 4.600 -14.209 1.00 1.92 O ATOM 1861 CB LYS A 125 -5.517 5.834 -14.567 1.00 2.54 C ATOM 1862 CG LYS A 125 -5.564 6.711 -15.820 1.00 3.46 C ATOM 1863 CD LYS A 125 -6.561 6.158 -16.839 1.00 5.60 C ATOM 1864 CE LYS A 125 -6.010 6.267 -18.262 1.00 6.72 C ATOM 1865 NZ LYS A 125 -4.987 5.225 -18.502 1.00 7.60 N ATOM 0 H LYS A 125 -5.805 3.131 -13.807 1.00 1.98 H new ATOM 0 HA LYS A 125 -4.239 4.702 -15.798 1.00 2.10 H new ATOM 0 HB2 LYS A 125 -6.529 5.543 -14.285 1.00 2.54 H new ATOM 0 HB3 LYS A 125 -5.105 6.405 -13.735 1.00 2.54 H new ATOM 0 HG2 LYS A 125 -5.845 7.728 -15.546 1.00 3.46 H new ATOM 0 HG3 LYS A 125 -4.572 6.764 -16.268 1.00 3.46 H new ATOM 0 HD2 LYS A 125 -6.780 5.115 -16.609 1.00 5.60 H new ATOM 0 HD3 LYS A 125 -7.501 6.705 -16.767 1.00 5.60 H new ATOM 0 HE2 LYS A 125 -6.822 6.161 -18.982 1.00 6.72 H new ATOM 0 HE3 LYS A 125 -5.575 7.255 -18.415 1.00 6.72 H new ATOM 0 HZ1 LYS A 125 -5.132 4.806 -19.443 1.00 7.60 H new ATOM 0 HZ2 LYS A 125 -4.040 5.651 -18.455 1.00 7.60 H new ATOM 0 HZ3 LYS A 125 -5.069 4.484 -17.777 1.00 7.60 H new ATOM 1879 N HIS A 126 -3.845 4.138 -12.583 1.00 1.22 N ATOM 1880 CA HIS A 126 -2.858 4.113 -11.518 1.00 1.26 C ATOM 1881 C HIS A 126 -2.532 2.664 -11.152 1.00 1.18 C ATOM 1882 O HIS A 126 -1.997 2.396 -10.077 1.00 2.70 O ATOM 1883 CB HIS A 126 -3.332 4.935 -10.317 1.00 1.55 C ATOM 1884 CG HIS A 126 -2.347 5.987 -9.865 1.00 1.34 C ATOM 1885 ND1 HIS A 126 -2.527 7.337 -10.112 1.00 1.84 N ATOM 1886 CD2 HIS A 126 -1.174 5.873 -9.180 1.00 2.51 C ATOM 1887 CE1 HIS A 126 -1.501 7.997 -9.595 1.00 1.44 C ATOM 1888 NE2 HIS A 126 -0.663 7.088 -9.018 1.00 2.44 N ATOM 0 H HIS A 126 -4.795 3.909 -12.289 1.00 1.22 H new ATOM 0 HA HIS A 126 -1.936 4.580 -11.863 1.00 1.26 H new ATOM 0 HB2 HIS A 126 -4.275 5.420 -10.571 1.00 1.55 H new ATOM 0 HB3 HIS A 126 -3.535 4.260 -9.485 1.00 1.55 H new ATOM 0 HD1 HIS A 126 -3.315 7.753 -10.608 1.00 1.84 H new ATOM 0 HD2 HIS A 126 -0.735 4.951 -8.829 1.00 2.51 H new ATOM 0 HE1 HIS A 126 -1.354 9.067 -9.625 1.00 1.44 H new ATOM 1896 N VAL A 127 -2.868 1.766 -12.068 1.00 1.89 N ATOM 1897 CA VAL A 127 -2.505 0.368 -11.913 1.00 1.56 C ATOM 1898 C VAL A 127 -3.252 -0.218 -10.714 1.00 1.64 C ATOM 1899 O VAL A 127 -3.629 0.509 -9.796 1.00 2.29 O ATOM 1900 CB VAL A 127 -0.986 0.230 -11.797 1.00 1.56 C ATOM 1901 CG1 VAL A 127 -0.571 -1.242 -11.749 1.00 1.46 C ATOM 1902 CG2 VAL A 127 -0.280 0.963 -12.940 1.00 1.57 C ATOM 0 H VAL A 127 -3.387 1.980 -12.919 1.00 1.89 H new ATOM 0 HA VAL A 127 -2.802 -0.203 -12.792 1.00 1.56 H new ATOM 0 HB VAL A 127 -0.678 0.695 -10.861 1.00 1.56 H new ATOM 0 HG11 VAL A 127 0.514 -1.312 -11.667 1.00 1.46 H new ATOM 0 HG12 VAL A 127 -1.032 -1.722 -10.886 1.00 1.46 H new ATOM 0 HG13 VAL A 127 -0.898 -1.742 -12.660 1.00 1.46 H new ATOM 0 HG21 VAL A 127 0.799 0.849 -12.834 1.00 1.57 H new ATOM 0 HG22 VAL A 127 -0.597 0.541 -13.894 1.00 1.57 H new ATOM 0 HG23 VAL A 127 -0.538 2.022 -12.908 1.00 1.57 H new ATOM 1912 N VAL A 128 -3.445 -1.528 -10.759 1.00 1.03 N ATOM 1913 CA VAL A 128 -4.007 -2.242 -9.625 1.00 1.07 C ATOM 1914 C VAL A 128 -3.206 -3.525 -9.387 1.00 1.07 C ATOM 1915 O VAL A 128 -3.382 -4.511 -10.102 1.00 1.09 O ATOM 1916 CB VAL A 128 -5.497 -2.501 -9.857 1.00 0.92 C ATOM 1917 CG1 VAL A 128 -6.110 -3.265 -8.681 1.00 0.93 C ATOM 1918 CG2 VAL A 128 -6.248 -1.192 -10.112 1.00 1.09 C ATOM 0 H VAL A 128 -3.222 -2.114 -11.564 1.00 1.03 H new ATOM 0 HA VAL A 128 -3.932 -1.640 -8.719 1.00 1.07 H new ATOM 0 HB VAL A 128 -5.595 -3.122 -10.747 1.00 0.92 H new ATOM 0 HG11 VAL A 128 -7.170 -3.436 -8.871 1.00 0.93 H new ATOM 0 HG12 VAL A 128 -5.603 -4.223 -8.565 1.00 0.93 H new ATOM 0 HG13 VAL A 128 -5.995 -2.681 -7.768 1.00 0.93 H new ATOM 0 HG21 VAL A 128 -7.305 -1.404 -10.274 1.00 1.09 H new ATOM 0 HG22 VAL A 128 -6.138 -0.535 -9.249 1.00 1.09 H new ATOM 0 HG23 VAL A 128 -5.837 -0.703 -10.995 1.00 1.09 H new ATOM 1928 N PHE A 129 -2.347 -3.470 -8.382 1.00 1.47 N ATOM 1929 CA PHE A 129 -1.494 -4.603 -8.064 1.00 1.65 C ATOM 1930 C PHE A 129 -1.915 -5.253 -6.746 1.00 1.80 C ATOM 1931 O PHE A 129 -1.116 -5.359 -5.817 1.00 2.64 O ATOM 1932 CB PHE A 129 -0.069 -4.063 -7.920 1.00 1.94 C ATOM 1933 CG PHE A 129 0.833 -4.919 -7.028 1.00 1.53 C ATOM 1934 CD1 PHE A 129 0.910 -6.261 -7.228 1.00 2.57 C ATOM 1935 CD2 PHE A 129 1.558 -4.336 -6.036 1.00 2.58 C ATOM 1936 CE1 PHE A 129 1.747 -7.056 -6.400 1.00 4.04 C ATOM 1937 CE2 PHE A 129 2.395 -5.131 -5.208 1.00 3.33 C ATOM 1938 CZ PHE A 129 2.472 -6.474 -5.409 1.00 4.03 C ATOM 0 H PHE A 129 -2.222 -2.659 -7.776 1.00 1.47 H new ATOM 0 HA PHE A 129 -1.567 -5.356 -8.849 1.00 1.65 H new ATOM 0 HB2 PHE A 129 0.382 -3.988 -8.910 1.00 1.94 H new ATOM 0 HB3 PHE A 129 -0.113 -3.053 -7.512 1.00 1.94 H new ATOM 0 HD1 PHE A 129 0.335 -6.723 -8.017 1.00 2.57 H new ATOM 0 HD2 PHE A 129 1.497 -3.269 -5.878 1.00 2.58 H new ATOM 0 HE1 PHE A 129 1.807 -8.123 -6.558 1.00 4.04 H new ATOM 0 HE2 PHE A 129 2.970 -4.669 -4.419 1.00 3.33 H new ATOM 0 HZ PHE A 129 3.110 -7.078 -4.781 1.00 4.03 H new ATOM 1948 N GLY A 130 -3.171 -5.674 -6.705 1.00 1.11 N ATOM 1949 CA GLY A 130 -3.616 -6.607 -5.683 1.00 0.98 C ATOM 1950 C GLY A 130 -5.022 -6.254 -5.194 1.00 0.90 C ATOM 1951 O GLY A 130 -5.621 -5.286 -5.659 1.00 0.94 O ATOM 0 H GLY A 130 -3.895 -5.386 -7.363 1.00 1.11 H new ATOM 0 HA2 GLY A 130 -3.610 -7.621 -6.083 1.00 0.98 H new ATOM 0 HA3 GLY A 130 -2.921 -6.592 -4.844 1.00 0.98 H new ATOM 1955 N LYS A 131 -5.509 -7.060 -4.261 1.00 0.84 N ATOM 1956 CA LYS A 131 -6.799 -6.799 -3.646 1.00 0.82 C ATOM 1957 C LYS A 131 -6.766 -7.263 -2.187 1.00 0.75 C ATOM 1958 O LYS A 131 -5.888 -8.030 -1.797 1.00 0.93 O ATOM 1959 CB LYS A 131 -7.922 -7.432 -4.468 1.00 0.94 C ATOM 1960 CG LYS A 131 -7.886 -8.958 -4.362 1.00 1.38 C ATOM 1961 CD LYS A 131 -9.212 -9.572 -4.817 1.00 1.51 C ATOM 1962 CE LYS A 131 -10.051 -10.013 -3.616 1.00 2.15 C ATOM 1963 NZ LYS A 131 -10.521 -8.837 -2.852 1.00 3.20 N ATOM 0 H LYS A 131 -5.033 -7.894 -3.916 1.00 0.84 H new ATOM 0 HA LYS A 131 -7.008 -5.729 -3.636 1.00 0.82 H new ATOM 0 HB2 LYS A 131 -8.886 -7.062 -4.119 1.00 0.94 H new ATOM 0 HB3 LYS A 131 -7.826 -7.134 -5.512 1.00 0.94 H new ATOM 0 HG2 LYS A 131 -7.072 -9.349 -4.972 1.00 1.38 H new ATOM 0 HG3 LYS A 131 -7.681 -9.250 -3.332 1.00 1.38 H new ATOM 0 HD2 LYS A 131 -9.770 -8.846 -5.408 1.00 1.51 H new ATOM 0 HD3 LYS A 131 -9.018 -10.428 -5.464 1.00 1.51 H new ATOM 0 HE2 LYS A 131 -10.905 -10.598 -3.957 1.00 2.15 H new ATOM 0 HE3 LYS A 131 -9.459 -10.661 -2.970 1.00 2.15 H new ATOM 0 HZ1 LYS A 131 -11.432 -9.057 -2.401 1.00 3.20 H new ATOM 0 HZ2 LYS A 131 -9.822 -8.596 -2.120 1.00 3.20 H new ATOM 0 HZ3 LYS A 131 -10.640 -8.029 -3.496 1.00 3.20 H new ATOM 1977 N VAL A 132 -7.733 -6.776 -1.423 1.00 0.61 N ATOM 1978 CA VAL A 132 -7.861 -7.178 -0.033 1.00 0.52 C ATOM 1979 C VAL A 132 -8.845 -8.346 0.067 1.00 0.68 C ATOM 1980 O VAL A 132 -9.998 -8.228 -0.346 1.00 0.94 O ATOM 1981 CB VAL A 132 -8.269 -5.978 0.822 1.00 0.52 C ATOM 1982 CG1 VAL A 132 -8.211 -6.321 2.312 1.00 0.62 C ATOM 1983 CG2 VAL A 132 -7.401 -4.758 0.506 1.00 0.67 C ATOM 0 H VAL A 132 -8.435 -6.107 -1.740 1.00 0.61 H new ATOM 0 HA VAL A 132 -6.903 -7.526 0.354 1.00 0.52 H new ATOM 0 HB VAL A 132 -9.301 -5.727 0.576 1.00 0.52 H new ATOM 0 HG11 VAL A 132 -8.506 -5.450 2.898 1.00 0.62 H new ATOM 0 HG12 VAL A 132 -8.891 -7.147 2.522 1.00 0.62 H new ATOM 0 HG13 VAL A 132 -7.195 -6.611 2.579 1.00 0.62 H new ATOM 0 HG21 VAL A 132 -7.713 -3.919 1.128 1.00 0.67 H new ATOM 0 HG22 VAL A 132 -6.356 -4.992 0.709 1.00 0.67 H new ATOM 0 HG23 VAL A 132 -7.515 -4.493 -0.545 1.00 0.67 H new ATOM 1993 N LYS A 133 -8.354 -9.446 0.617 1.00 0.76 N ATOM 1994 CA LYS A 133 -9.168 -10.642 0.753 1.00 0.94 C ATOM 1995 C LYS A 133 -9.730 -10.712 2.175 1.00 0.79 C ATOM 1996 O LYS A 133 -10.794 -11.287 2.398 1.00 1.70 O ATOM 1997 CB LYS A 133 -8.370 -11.883 0.346 1.00 1.32 C ATOM 1998 CG LYS A 133 -7.232 -12.151 1.332 1.00 1.95 C ATOM 1999 CD LYS A 133 -7.386 -13.525 1.986 1.00 2.01 C ATOM 2000 CE LYS A 133 -7.348 -14.639 0.938 1.00 2.09 C ATOM 2001 NZ LYS A 133 -6.249 -14.406 -0.026 1.00 3.64 N ATOM 0 H LYS A 133 -7.403 -9.535 0.974 1.00 0.76 H new ATOM 0 HA LYS A 133 -10.020 -10.602 0.074 1.00 0.94 H new ATOM 0 HB2 LYS A 133 -9.032 -12.748 0.305 1.00 1.32 H new ATOM 0 HB3 LYS A 133 -7.963 -11.746 -0.656 1.00 1.32 H new ATOM 0 HG2 LYS A 133 -6.275 -12.097 0.812 1.00 1.95 H new ATOM 0 HG3 LYS A 133 -7.222 -11.378 2.100 1.00 1.95 H new ATOM 0 HD2 LYS A 133 -6.588 -13.677 2.713 1.00 2.01 H new ATOM 0 HD3 LYS A 133 -8.328 -13.568 2.533 1.00 2.01 H new ATOM 0 HE2 LYS A 133 -7.212 -15.603 1.428 1.00 2.09 H new ATOM 0 HE3 LYS A 133 -8.300 -14.682 0.410 1.00 2.09 H new ATOM 0 HZ1 LYS A 133 -5.934 -15.316 -0.420 1.00 3.64 H new ATOM 0 HZ2 LYS A 133 -6.587 -13.794 -0.796 1.00 3.64 H new ATOM 0 HZ3 LYS A 133 -5.453 -13.945 0.459 1.00 3.64 H new ATOM 2015 N GLU A 134 -8.989 -10.119 3.100 1.00 0.94 N ATOM 2016 CA GLU A 134 -9.361 -10.171 4.503 1.00 1.04 C ATOM 2017 C GLU A 134 -8.791 -8.962 5.249 1.00 1.11 C ATOM 2018 O GLU A 134 -7.704 -8.485 4.927 1.00 2.02 O ATOM 2019 CB GLU A 134 -8.895 -11.479 5.145 1.00 1.60 C ATOM 2020 CG GLU A 134 -9.971 -12.561 5.029 1.00 1.90 C ATOM 2021 CD GLU A 134 -9.614 -13.784 5.875 1.00 2.32 C ATOM 2022 OE1 GLU A 134 -8.785 -14.586 5.392 1.00 3.22 O ATOM 2023 OE2 GLU A 134 -10.177 -13.891 6.986 1.00 2.47 O ATOM 0 H GLU A 134 -8.133 -9.600 2.905 1.00 0.94 H new ATOM 0 HA GLU A 134 -10.448 -10.137 4.572 1.00 1.04 H new ATOM 0 HB2 GLU A 134 -7.979 -11.819 4.662 1.00 1.60 H new ATOM 0 HB3 GLU A 134 -8.658 -11.308 6.195 1.00 1.60 H new ATOM 0 HG2 GLU A 134 -10.932 -12.159 5.352 1.00 1.90 H new ATOM 0 HG3 GLU A 134 -10.083 -12.857 3.986 1.00 1.90 H new ATOM 2030 N GLY A 135 -9.552 -8.500 6.231 1.00 0.69 N ATOM 2031 CA GLY A 135 -9.104 -7.403 7.071 1.00 0.66 C ATOM 2032 C GLY A 135 -9.704 -6.075 6.604 1.00 0.57 C ATOM 2033 O GLY A 135 -9.241 -5.007 7.001 1.00 0.69 O ATOM 0 H GLY A 135 -10.475 -8.866 6.463 1.00 0.69 H new ATOM 0 HA2 GLY A 135 -9.390 -7.592 8.106 1.00 0.66 H new ATOM 0 HA3 GLY A 135 -8.016 -7.343 7.047 1.00 0.66 H new ATOM 2037 N MET A 136 -10.725 -6.185 5.768 1.00 0.59 N ATOM 2038 CA MET A 136 -11.420 -5.008 5.276 1.00 0.75 C ATOM 2039 C MET A 136 -12.012 -4.197 6.431 1.00 0.70 C ATOM 2040 O MET A 136 -12.025 -2.969 6.389 1.00 0.73 O ATOM 2041 CB MET A 136 -12.540 -5.436 4.325 1.00 1.01 C ATOM 2042 CG MET A 136 -12.014 -5.603 2.898 1.00 1.09 C ATOM 2043 SD MET A 136 -12.846 -4.463 1.805 1.00 1.49 S ATOM 2044 CE MET A 136 -12.079 -2.932 2.310 1.00 0.97 C ATOM 0 H MET A 136 -11.088 -7.072 5.418 1.00 0.59 H new ATOM 0 HA MET A 136 -10.703 -4.381 4.747 1.00 0.75 H new ATOM 0 HB2 MET A 136 -12.974 -6.375 4.668 1.00 1.01 H new ATOM 0 HB3 MET A 136 -13.337 -4.692 4.338 1.00 1.01 H new ATOM 0 HG2 MET A 136 -10.939 -5.424 2.874 1.00 1.09 H new ATOM 0 HG3 MET A 136 -12.174 -6.627 2.560 1.00 1.09 H new ATOM 0 HE1 MET A 136 -12.434 -2.120 1.675 1.00 0.97 H new ATOM 0 HE2 MET A 136 -12.337 -2.721 3.348 1.00 0.97 H new ATOM 0 HE3 MET A 136 -10.997 -3.019 2.216 1.00 0.97 H new ATOM 2054 N ASN A 137 -12.488 -4.920 7.434 1.00 0.66 N ATOM 2055 CA ASN A 137 -13.116 -4.285 8.582 1.00 0.67 C ATOM 2056 C ASN A 137 -12.040 -3.617 9.440 1.00 0.63 C ATOM 2057 O ASN A 137 -12.317 -2.651 10.149 1.00 0.68 O ATOM 2058 CB ASN A 137 -13.843 -5.313 9.451 1.00 0.75 C ATOM 2059 CG ASN A 137 -12.869 -6.362 9.991 1.00 1.70 C ATOM 2060 OD1 ASN A 137 -12.252 -6.197 11.029 1.00 2.85 O ATOM 2061 ND2 ASN A 137 -12.767 -7.448 9.229 1.00 3.05 N ATOM 0 H ASN A 137 -12.452 -5.938 7.476 1.00 0.66 H new ATOM 0 HA ASN A 137 -13.835 -3.553 8.212 1.00 0.67 H new ATOM 0 HB2 ASN A 137 -14.336 -4.808 10.282 1.00 0.75 H new ATOM 0 HB3 ASN A 137 -14.622 -5.802 8.867 1.00 0.75 H new ATOM 0 HD21 ASN A 137 -12.143 -8.207 9.503 1.00 3.05 H new ATOM 0 HD22 ASN A 137 -13.313 -7.522 8.371 1.00 3.05 H new ATOM 2068 N ILE A 138 -10.834 -4.158 9.349 1.00 0.59 N ATOM 2069 CA ILE A 138 -9.700 -3.580 10.049 1.00 0.59 C ATOM 2070 C ILE A 138 -9.269 -2.295 9.340 1.00 0.62 C ATOM 2071 O ILE A 138 -8.917 -1.311 9.991 1.00 0.69 O ATOM 2072 CB ILE A 138 -8.576 -4.610 10.191 1.00 0.59 C ATOM 2073 CG1 ILE A 138 -9.059 -5.846 10.955 1.00 0.81 C ATOM 2074 CG2 ILE A 138 -7.337 -3.985 10.835 1.00 0.64 C ATOM 2075 CD1 ILE A 138 -9.454 -5.484 12.388 1.00 0.98 C ATOM 0 H ILE A 138 -10.618 -4.991 8.801 1.00 0.59 H new ATOM 0 HA ILE A 138 -9.980 -3.305 11.066 1.00 0.59 H new ATOM 0 HB ILE A 138 -8.287 -4.941 9.193 1.00 0.59 H new ATOM 0 HG12 ILE A 138 -9.912 -6.287 10.439 1.00 0.81 H new ATOM 0 HG13 ILE A 138 -8.272 -6.599 10.970 1.00 0.81 H new ATOM 0 HG21 ILE A 138 -6.554 -4.738 10.924 1.00 0.64 H new ATOM 0 HG22 ILE A 138 -6.980 -3.162 10.215 1.00 0.64 H new ATOM 0 HG23 ILE A 138 -7.593 -3.608 11.825 1.00 0.64 H new ATOM 0 HD11 ILE A 138 -9.793 -6.379 12.909 1.00 0.98 H new ATOM 0 HD12 ILE A 138 -8.592 -5.066 12.908 1.00 0.98 H new ATOM 0 HD13 ILE A 138 -10.258 -4.748 12.369 1.00 0.98 H new ATOM 2087 N VAL A 139 -9.310 -2.344 8.017 1.00 0.60 N ATOM 2088 CA VAL A 139 -8.974 -1.181 7.214 1.00 0.65 C ATOM 2089 C VAL A 139 -10.003 -0.078 7.466 1.00 0.70 C ATOM 2090 O VAL A 139 -9.646 1.092 7.595 1.00 0.76 O ATOM 2091 CB VAL A 139 -8.870 -1.576 5.739 1.00 0.68 C ATOM 2092 CG1 VAL A 139 -8.857 -0.337 4.840 1.00 0.84 C ATOM 2093 CG2 VAL A 139 -7.637 -2.446 5.490 1.00 0.66 C ATOM 0 H VAL A 139 -9.571 -3.171 7.481 1.00 0.60 H new ATOM 0 HA VAL A 139 -7.999 -0.787 7.501 1.00 0.65 H new ATOM 0 HB VAL A 139 -9.752 -2.165 5.487 1.00 0.68 H new ATOM 0 HG11 VAL A 139 -8.782 -0.645 3.797 1.00 0.84 H new ATOM 0 HG12 VAL A 139 -9.777 0.229 4.987 1.00 0.84 H new ATOM 0 HG13 VAL A 139 -8.002 0.289 5.095 1.00 0.84 H new ATOM 0 HG21 VAL A 139 -7.587 -2.713 4.434 1.00 0.66 H new ATOM 0 HG22 VAL A 139 -6.740 -1.893 5.768 1.00 0.66 H new ATOM 0 HG23 VAL A 139 -7.705 -3.353 6.090 1.00 0.66 H new ATOM 2103 N GLU A 140 -11.262 -0.489 7.528 1.00 0.70 N ATOM 2104 CA GLU A 140 -12.343 0.447 7.782 1.00 0.77 C ATOM 2105 C GLU A 140 -12.195 1.066 9.174 1.00 0.79 C ATOM 2106 O GLU A 140 -12.405 2.265 9.350 1.00 0.84 O ATOM 2107 CB GLU A 140 -13.705 -0.233 7.628 1.00 0.81 C ATOM 2108 CG GLU A 140 -14.767 0.764 7.159 1.00 0.92 C ATOM 2109 CD GLU A 140 -16.166 0.149 7.232 1.00 2.22 C ATOM 2110 OE1 GLU A 140 -16.480 -0.655 6.328 1.00 3.37 O ATOM 2111 OE2 GLU A 140 -16.890 0.499 8.189 1.00 3.10 O ATOM 0 H GLU A 140 -11.557 -1.458 7.407 1.00 0.70 H new ATOM 0 HA GLU A 140 -12.286 1.246 7.042 1.00 0.77 H new ATOM 0 HB2 GLU A 140 -13.628 -1.051 6.912 1.00 0.81 H new ATOM 0 HB3 GLU A 140 -14.007 -0.670 8.580 1.00 0.81 H new ATOM 0 HG2 GLU A 140 -14.727 1.661 7.777 1.00 0.92 H new ATOM 0 HG3 GLU A 140 -14.554 1.073 6.135 1.00 0.92 H new ATOM 2118 N ALA A 141 -11.833 0.219 10.127 1.00 0.80 N ATOM 2119 CA ALA A 141 -11.611 0.676 11.489 1.00 0.83 C ATOM 2120 C ALA A 141 -10.475 1.701 11.500 1.00 0.81 C ATOM 2121 O ALA A 141 -10.582 2.744 12.142 1.00 0.85 O ATOM 2122 CB ALA A 141 -11.321 -0.525 12.390 1.00 0.90 C ATOM 0 H ALA A 141 -11.688 -0.780 9.983 1.00 0.80 H new ATOM 0 HA ALA A 141 -12.502 1.168 11.878 1.00 0.83 H new ATOM 0 HB1 ALA A 141 -11.155 -0.182 13.411 1.00 0.90 H new ATOM 0 HB2 ALA A 141 -12.170 -1.208 12.370 1.00 0.90 H new ATOM 0 HB3 ALA A 141 -10.431 -1.042 12.031 1.00 0.90 H new ATOM 2128 N MET A 142 -9.413 1.367 10.781 1.00 0.83 N ATOM 2129 CA MET A 142 -8.279 2.268 10.659 1.00 0.86 C ATOM 2130 C MET A 142 -8.716 3.632 10.123 1.00 0.84 C ATOM 2131 O MET A 142 -8.346 4.667 10.673 1.00 1.02 O ATOM 2132 CB MET A 142 -7.240 1.657 9.716 1.00 1.02 C ATOM 2133 CG MET A 142 -5.940 2.461 9.738 1.00 1.15 C ATOM 2134 SD MET A 142 -5.153 2.395 8.137 1.00 1.71 S ATOM 2135 CE MET A 142 -4.851 0.641 8.012 1.00 1.44 C ATOM 0 H MET A 142 -9.314 0.486 10.277 1.00 0.83 H new ATOM 0 HA MET A 142 -7.845 2.411 11.649 1.00 0.86 H new ATOM 0 HB2 MET A 142 -7.039 0.626 10.009 1.00 1.02 H new ATOM 0 HB3 MET A 142 -7.637 1.628 8.701 1.00 1.02 H new ATOM 0 HG2 MET A 142 -6.148 3.496 10.008 1.00 1.15 H new ATOM 0 HG3 MET A 142 -5.269 2.062 10.499 1.00 1.15 H new ATOM 0 HE1 MET A 142 -4.165 0.448 7.187 1.00 1.44 H new ATOM 0 HE2 MET A 142 -4.412 0.280 8.942 1.00 1.44 H new ATOM 0 HE3 MET A 142 -5.792 0.122 7.830 1.00 1.44 H new ATOM 2145 N GLU A 143 -9.500 3.588 9.055 1.00 0.76 N ATOM 2146 CA GLU A 143 -9.998 4.808 8.442 1.00 0.83 C ATOM 2147 C GLU A 143 -10.807 5.619 9.456 1.00 0.93 C ATOM 2148 O GLU A 143 -10.756 6.848 9.455 1.00 1.06 O ATOM 2149 CB GLU A 143 -10.833 4.495 7.199 1.00 0.90 C ATOM 2150 CG GLU A 143 -9.947 4.388 5.956 1.00 1.48 C ATOM 2151 CD GLU A 143 -10.783 4.079 4.713 1.00 1.59 C ATOM 2152 OE1 GLU A 143 -11.921 4.594 4.651 1.00 1.88 O ATOM 2153 OE2 GLU A 143 -10.266 3.335 3.851 1.00 2.57 O ATOM 0 H GLU A 143 -9.802 2.727 8.599 1.00 0.76 H new ATOM 0 HA GLU A 143 -9.145 5.407 8.125 1.00 0.83 H new ATOM 0 HB2 GLU A 143 -11.374 3.560 7.346 1.00 0.90 H new ATOM 0 HB3 GLU A 143 -11.579 5.276 7.052 1.00 0.90 H new ATOM 0 HG2 GLU A 143 -9.404 5.322 5.811 1.00 1.48 H new ATOM 0 HG3 GLU A 143 -9.202 3.605 6.102 1.00 1.48 H new ATOM 2160 N ARG A 144 -11.534 4.899 10.297 1.00 0.99 N ATOM 2161 CA ARG A 144 -12.412 5.537 11.263 1.00 1.19 C ATOM 2162 C ARG A 144 -11.603 6.422 12.213 1.00 1.12 C ATOM 2163 O ARG A 144 -12.121 7.402 12.745 1.00 1.20 O ATOM 2164 CB ARG A 144 -13.183 4.496 12.078 1.00 1.45 C ATOM 2165 CG ARG A 144 -14.386 5.130 12.780 1.00 1.88 C ATOM 2166 CD ARG A 144 -15.136 4.096 13.622 1.00 2.80 C ATOM 2167 NE ARG A 144 -16.213 4.757 14.394 1.00 3.66 N ATOM 2168 CZ ARG A 144 -16.032 5.340 15.587 1.00 5.05 C ATOM 2169 NH1 ARG A 144 -14.794 5.491 16.079 1.00 5.84 N ATOM 2170 NH2 ARG A 144 -17.088 5.774 16.289 1.00 6.29 N ATOM 0 H ARG A 144 -11.533 3.880 10.330 1.00 0.99 H new ATOM 0 HA ARG A 144 -13.124 6.149 10.710 1.00 1.19 H new ATOM 0 HB2 ARG A 144 -13.521 3.694 11.422 1.00 1.45 H new ATOM 0 HB3 ARG A 144 -12.521 4.046 12.818 1.00 1.45 H new ATOM 0 HG2 ARG A 144 -14.050 5.949 13.417 1.00 1.88 H new ATOM 0 HG3 ARG A 144 -15.060 5.559 12.038 1.00 1.88 H new ATOM 0 HD2 ARG A 144 -15.560 3.327 12.976 1.00 2.80 H new ATOM 0 HD3 ARG A 144 -14.444 3.597 14.301 1.00 2.80 H new ATOM 0 HE ARG A 144 -17.151 4.769 13.993 1.00 3.66 H new ATOM 0 HH11 ARG A 144 -13.989 5.162 15.545 1.00 5.84 H new ATOM 0 HH12 ARG A 144 -14.657 5.935 16.987 1.00 5.84 H new ATOM 0 HH21 ARG A 144 -18.030 5.661 15.915 1.00 6.29 H new ATOM 0 HH22 ARG A 144 -16.949 6.218 17.197 1.00 6.29 H new ATOM 2184 N PHE A 145 -10.347 6.044 12.396 1.00 1.08 N ATOM 2185 CA PHE A 145 -9.478 6.756 13.319 1.00 1.13 C ATOM 2186 C PHE A 145 -8.606 7.771 12.577 1.00 1.08 C ATOM 2187 O PHE A 145 -7.593 8.226 13.106 1.00 1.35 O ATOM 2188 CB PHE A 145 -8.576 5.712 13.979 1.00 1.29 C ATOM 2189 CG PHE A 145 -9.330 4.508 14.548 1.00 1.73 C ATOM 2190 CD1 PHE A 145 -10.523 4.687 15.177 1.00 2.55 C ATOM 2191 CD2 PHE A 145 -8.808 3.258 14.425 1.00 2.69 C ATOM 2192 CE1 PHE A 145 -11.222 3.571 15.705 1.00 3.10 C ATOM 2193 CE2 PHE A 145 -9.508 2.141 14.951 1.00 3.34 C ATOM 2194 CZ PHE A 145 -10.700 2.320 15.581 1.00 3.14 C ATOM 0 H PHE A 145 -9.910 5.254 11.921 1.00 1.08 H new ATOM 0 HA PHE A 145 -10.076 7.298 14.052 1.00 1.13 H new ATOM 0 HB2 PHE A 145 -7.849 5.360 13.247 1.00 1.29 H new ATOM 0 HB3 PHE A 145 -8.014 6.188 14.782 1.00 1.29 H new ATOM 0 HD1 PHE A 145 -10.938 5.679 15.274 1.00 2.55 H new ATOM 0 HD2 PHE A 145 -7.860 3.115 13.927 1.00 2.69 H new ATOM 0 HE1 PHE A 145 -12.168 3.714 16.205 1.00 3.10 H new ATOM 0 HE2 PHE A 145 -9.094 1.149 14.851 1.00 3.34 H new ATOM 0 HZ PHE A 145 -11.232 1.470 15.983 1.00 3.14 H new ATOM 2204 N GLY A 146 -9.031 8.095 11.365 1.00 1.06 N ATOM 2205 CA GLY A 146 -8.321 9.075 10.561 1.00 1.02 C ATOM 2206 C GLY A 146 -9.093 10.395 10.500 1.00 1.02 C ATOM 2207 O GLY A 146 -9.900 10.688 11.380 1.00 1.56 O ATOM 0 H GLY A 146 -9.858 7.696 10.920 1.00 1.06 H new ATOM 0 HA2 GLY A 146 -7.331 9.248 10.982 1.00 1.02 H new ATOM 0 HA3 GLY A 146 -8.176 8.687 9.553 1.00 1.02 H new ATOM 2211 N SER A 147 -8.817 11.157 9.451 1.00 0.84 N ATOM 2212 CA SER A 147 -9.455 12.451 9.278 1.00 0.97 C ATOM 2213 C SER A 147 -9.405 12.866 7.806 1.00 1.35 C ATOM 2214 O SER A 147 -8.708 12.245 7.005 1.00 2.25 O ATOM 2215 CB SER A 147 -8.789 13.515 10.153 1.00 1.51 C ATOM 2216 OG SER A 147 -9.006 14.831 9.650 1.00 3.06 O ATOM 0 H SER A 147 -8.160 10.903 8.713 1.00 0.84 H new ATOM 0 HA SER A 147 -10.496 12.364 9.589 1.00 0.97 H new ATOM 0 HB2 SER A 147 -9.179 13.446 11.168 1.00 1.51 H new ATOM 0 HB3 SER A 147 -7.718 13.320 10.209 1.00 1.51 H new ATOM 0 HG SER A 147 -9.065 15.461 10.398 1.00 3.06 H new ATOM 2222 N ARG A 148 -10.154 13.914 7.494 1.00 1.75 N ATOM 2223 CA ARG A 148 -10.332 14.321 6.110 1.00 2.47 C ATOM 2224 C ARG A 148 -9.222 15.289 5.696 1.00 2.44 C ATOM 2225 O ARG A 148 -9.082 15.610 4.516 1.00 2.76 O ATOM 2226 CB ARG A 148 -11.690 14.994 5.904 1.00 3.31 C ATOM 2227 CG ARG A 148 -11.692 16.412 6.479 1.00 3.40 C ATOM 2228 CD ARG A 148 -13.113 16.974 6.548 1.00 4.18 C ATOM 2229 NE ARG A 148 -13.882 16.277 7.602 1.00 5.19 N ATOM 2230 CZ ARG A 148 -15.190 16.464 7.826 1.00 6.52 C ATOM 2231 NH1 ARG A 148 -15.866 17.383 7.121 1.00 7.12 N ATOM 2232 NH2 ARG A 148 -15.823 15.734 8.754 1.00 7.74 N ATOM 0 H ARG A 148 -10.644 14.493 8.176 1.00 1.75 H new ATOM 0 HA ARG A 148 -10.287 13.425 5.492 1.00 2.47 H new ATOM 0 HB2 ARG A 148 -11.925 15.029 4.840 1.00 3.31 H new ATOM 0 HB3 ARG A 148 -12.470 14.402 6.384 1.00 3.31 H new ATOM 0 HG2 ARG A 148 -11.251 16.405 7.476 1.00 3.40 H new ATOM 0 HG3 ARG A 148 -11.071 17.060 5.861 1.00 3.40 H new ATOM 0 HD2 ARG A 148 -13.080 18.043 6.757 1.00 4.18 H new ATOM 0 HD3 ARG A 148 -13.608 16.853 5.585 1.00 4.18 H new ATOM 0 HE ARG A 148 -13.386 15.612 8.196 1.00 5.19 H new ATOM 0 HH11 ARG A 148 -15.385 17.939 6.415 1.00 7.12 H new ATOM 0 HH12 ARG A 148 -16.862 17.526 7.291 1.00 7.12 H new ATOM 0 HH21 ARG A 148 -15.309 15.035 9.291 1.00 7.74 H new ATOM 0 HH22 ARG A 148 -16.819 15.877 8.924 1.00 7.74 H new ATOM 2246 N ASN A 149 -8.462 15.728 6.687 1.00 2.26 N ATOM 2247 CA ASN A 149 -7.411 16.704 6.451 1.00 2.51 C ATOM 2248 C ASN A 149 -6.306 16.063 5.611 1.00 2.53 C ATOM 2249 O ASN A 149 -5.577 16.758 4.905 1.00 3.10 O ATOM 2250 CB ASN A 149 -6.792 17.177 7.768 1.00 2.62 C ATOM 2251 CG ASN A 149 -5.877 16.103 8.360 1.00 2.42 C ATOM 2252 OD1 ASN A 149 -4.738 15.931 7.959 1.00 3.19 O ATOM 2253 ND2 ASN A 149 -6.438 15.392 9.334 1.00 2.82 N ATOM 0 H ASN A 149 -8.553 15.426 7.657 1.00 2.26 H new ATOM 0 HA ASN A 149 -7.852 17.557 5.934 1.00 2.51 H new ATOM 0 HB2 ASN A 149 -6.224 18.092 7.599 1.00 2.62 H new ATOM 0 HB3 ASN A 149 -7.582 17.419 8.479 1.00 2.62 H new ATOM 0 HD21 ASN A 149 -5.909 14.651 9.794 1.00 2.82 H new ATOM 0 HD22 ASN A 149 -7.397 15.588 9.621 1.00 2.82 H new ATOM 2260 N GLY A 150 -6.215 14.746 5.716 1.00 2.16 N ATOM 2261 CA GLY A 150 -5.254 13.997 4.924 1.00 2.54 C ATOM 2262 C GLY A 150 -4.589 12.901 5.759 1.00 2.45 C ATOM 2263 O GLY A 150 -4.441 11.769 5.301 1.00 3.53 O ATOM 0 H GLY A 150 -6.791 14.178 6.337 1.00 2.16 H new ATOM 0 HA2 GLY A 150 -5.755 13.551 4.065 1.00 2.54 H new ATOM 0 HA3 GLY A 150 -4.494 14.673 4.534 1.00 2.54 H new ATOM 2267 N LYS A 151 -4.207 13.277 6.972 1.00 1.85 N ATOM 2268 CA LYS A 151 -3.461 12.375 7.833 1.00 1.96 C ATOM 2269 C LYS A 151 -4.172 12.266 9.184 1.00 1.75 C ATOM 2270 O LYS A 151 -4.824 13.212 9.625 1.00 2.17 O ATOM 2271 CB LYS A 151 -2.001 12.820 7.940 1.00 2.54 C ATOM 2272 CG LYS A 151 -1.112 11.671 8.415 1.00 2.85 C ATOM 2273 CD LYS A 151 0.361 11.956 8.116 1.00 3.72 C ATOM 2274 CE LYS A 151 1.234 10.746 8.449 1.00 4.52 C ATOM 2275 NZ LYS A 151 2.324 10.604 7.458 1.00 5.39 N ATOM 0 H LYS A 151 -4.400 14.193 7.378 1.00 1.85 H new ATOM 0 HA LYS A 151 -3.433 11.373 7.404 1.00 1.96 H new ATOM 0 HB2 LYS A 151 -1.654 13.176 6.970 1.00 2.54 H new ATOM 0 HB3 LYS A 151 -1.922 13.657 8.634 1.00 2.54 H new ATOM 0 HG2 LYS A 151 -1.247 11.521 9.486 1.00 2.85 H new ATOM 0 HG3 LYS A 151 -1.414 10.746 7.924 1.00 2.85 H new ATOM 0 HD2 LYS A 151 0.478 12.214 7.064 1.00 3.72 H new ATOM 0 HD3 LYS A 151 0.693 12.818 8.695 1.00 3.72 H new ATOM 0 HE2 LYS A 151 1.655 10.858 9.448 1.00 4.52 H new ATOM 0 HE3 LYS A 151 0.624 9.842 8.460 1.00 4.52 H new ATOM 0 HZ1 LYS A 151 2.791 9.683 7.585 1.00 5.39 H new ATOM 0 HZ2 LYS A 151 1.930 10.662 6.497 1.00 5.39 H new ATOM 0 HZ3 LYS A 151 3.018 11.366 7.594 1.00 5.39 H new ATOM 2289 N THR A 152 -4.020 11.105 9.804 1.00 1.66 N ATOM 2290 CA THR A 152 -4.618 10.869 11.107 1.00 1.63 C ATOM 2291 C THR A 152 -3.900 11.691 12.179 1.00 1.92 C ATOM 2292 O THR A 152 -3.023 12.495 11.867 1.00 2.46 O ATOM 2293 CB THR A 152 -4.587 9.363 11.376 1.00 1.81 C ATOM 2294 OG1 THR A 152 -5.111 9.234 12.695 1.00 2.90 O ATOM 2295 CG2 THR A 152 -3.161 8.816 11.488 1.00 1.56 C ATOM 0 H THR A 152 -3.491 10.318 9.428 1.00 1.66 H new ATOM 0 HA THR A 152 -5.657 11.197 11.130 1.00 1.63 H new ATOM 0 HB THR A 152 -5.114 8.842 10.577 1.00 1.81 H new ATOM 0 HG1 THR A 152 -5.988 8.797 12.658 1.00 2.90 H new ATOM 0 HG21 THR A 152 -3.197 7.743 11.679 1.00 1.56 H new ATOM 0 HG22 THR A 152 -2.626 9.001 10.556 1.00 1.56 H new ATOM 0 HG23 THR A 152 -2.644 9.314 12.308 1.00 1.56 H new ATOM 2303 N SER A 153 -4.301 11.463 13.422 1.00 1.94 N ATOM 2304 CA SER A 153 -3.754 12.220 14.535 1.00 2.54 C ATOM 2305 C SER A 153 -3.285 11.267 15.636 1.00 1.99 C ATOM 2306 O SER A 153 -3.400 11.575 16.821 1.00 2.31 O ATOM 2307 CB SER A 153 -4.784 13.206 15.091 1.00 3.47 C ATOM 2308 OG SER A 153 -5.911 12.539 15.652 1.00 3.43 O ATOM 0 H SER A 153 -4.998 10.765 13.682 1.00 1.94 H new ATOM 0 HA SER A 153 -2.901 12.793 14.171 1.00 2.54 H new ATOM 0 HB2 SER A 153 -4.315 13.829 15.852 1.00 3.47 H new ATOM 0 HB3 SER A 153 -5.116 13.872 14.294 1.00 3.47 H new ATOM 0 HG SER A 153 -6.545 13.202 15.998 1.00 3.43 H new ATOM 2314 N LYS A 154 -2.766 10.126 15.205 1.00 1.57 N ATOM 2315 CA LYS A 154 -2.306 9.113 16.140 1.00 1.45 C ATOM 2316 C LYS A 154 -0.863 8.731 15.801 1.00 1.31 C ATOM 2317 O LYS A 154 -0.097 9.559 15.309 1.00 1.50 O ATOM 2318 CB LYS A 154 -3.268 7.924 16.158 1.00 2.03 C ATOM 2319 CG LYS A 154 -4.714 8.392 16.331 1.00 2.67 C ATOM 2320 CD LYS A 154 -5.037 8.641 17.805 1.00 2.34 C ATOM 2321 CE LYS A 154 -6.223 9.597 17.953 1.00 3.33 C ATOM 2322 NZ LYS A 154 -5.800 10.992 17.696 1.00 4.95 N ATOM 0 H LYS A 154 -2.654 9.881 14.221 1.00 1.57 H new ATOM 0 HA LYS A 154 -2.303 9.506 17.157 1.00 1.45 H new ATOM 0 HB2 LYS A 154 -3.173 7.360 15.230 1.00 2.03 H new ATOM 0 HB3 LYS A 154 -3.001 7.248 16.970 1.00 2.03 H new ATOM 0 HG2 LYS A 154 -4.875 9.307 15.760 1.00 2.67 H new ATOM 0 HG3 LYS A 154 -5.394 7.641 15.928 1.00 2.67 H new ATOM 0 HD2 LYS A 154 -5.265 7.695 18.296 1.00 2.34 H new ATOM 0 HD3 LYS A 154 -4.164 9.058 18.307 1.00 2.34 H new ATOM 0 HE2 LYS A 154 -7.013 9.316 17.257 1.00 3.33 H new ATOM 0 HE3 LYS A 154 -6.640 9.516 18.957 1.00 3.33 H new ATOM 0 HZ1 LYS A 154 -6.158 11.608 18.453 1.00 4.95 H new ATOM 0 HZ2 LYS A 154 -4.761 11.041 17.672 1.00 4.95 H new ATOM 0 HZ3 LYS A 154 -6.183 11.308 16.782 1.00 4.95 H new ATOM 2336 N LYS A 155 -0.536 7.478 16.080 1.00 1.19 N ATOM 2337 CA LYS A 155 0.789 6.965 15.773 1.00 1.28 C ATOM 2338 C LYS A 155 0.667 5.537 15.236 1.00 1.36 C ATOM 2339 O LYS A 155 1.071 4.584 15.901 1.00 2.08 O ATOM 2340 CB LYS A 155 1.706 7.088 16.992 1.00 1.31 C ATOM 2341 CG LYS A 155 1.228 6.184 18.131 1.00 2.73 C ATOM 2342 CD LYS A 155 1.194 6.945 19.458 1.00 3.45 C ATOM 2343 CE LYS A 155 2.609 7.190 19.986 1.00 3.84 C ATOM 2344 NZ LYS A 155 3.154 5.958 20.599 1.00 4.84 N ATOM 0 H LYS A 155 -1.165 6.803 16.515 1.00 1.19 H new ATOM 0 HA LYS A 155 1.257 7.561 14.989 1.00 1.28 H new ATOM 0 HB2 LYS A 155 2.725 6.820 16.713 1.00 1.31 H new ATOM 0 HB3 LYS A 155 1.730 8.124 17.331 1.00 1.31 H new ATOM 0 HG2 LYS A 155 0.234 5.800 17.902 1.00 2.73 H new ATOM 0 HG3 LYS A 155 1.890 5.323 18.219 1.00 2.73 H new ATOM 0 HD2 LYS A 155 0.683 7.898 19.322 1.00 3.45 H new ATOM 0 HD3 LYS A 155 0.621 6.378 20.192 1.00 3.45 H new ATOM 0 HE2 LYS A 155 3.256 7.515 19.171 1.00 3.84 H new ATOM 0 HE3 LYS A 155 2.595 7.994 20.722 1.00 3.84 H new ATOM 0 HZ1 LYS A 155 4.072 6.167 21.042 1.00 4.84 H new ATOM 0 HZ2 LYS A 155 2.493 5.608 21.321 1.00 4.84 H new ATOM 0 HZ3 LYS A 155 3.281 5.232 19.865 1.00 4.84 H new ATOM 2358 N ILE A 156 0.109 5.436 14.040 1.00 0.90 N ATOM 2359 CA ILE A 156 -0.138 4.137 13.436 1.00 0.86 C ATOM 2360 C ILE A 156 1.136 3.650 12.743 1.00 0.89 C ATOM 2361 O ILE A 156 1.676 4.336 11.877 1.00 1.11 O ATOM 2362 CB ILE A 156 -1.356 4.197 12.512 1.00 0.92 C ATOM 2363 CG1 ILE A 156 -2.564 4.795 13.236 1.00 1.32 C ATOM 2364 CG2 ILE A 156 -1.664 2.821 11.921 1.00 1.33 C ATOM 2365 CD1 ILE A 156 -3.804 4.779 12.339 1.00 1.23 C ATOM 0 H ILE A 156 -0.180 6.232 13.472 1.00 0.90 H new ATOM 0 HA ILE A 156 -0.385 3.403 14.203 1.00 0.86 H new ATOM 0 HB ILE A 156 -1.121 4.859 11.679 1.00 0.92 H new ATOM 0 HG12 ILE A 156 -2.763 4.231 14.147 1.00 1.32 H new ATOM 0 HG13 ILE A 156 -2.342 5.819 13.537 1.00 1.32 H new ATOM 0 HG21 ILE A 156 -2.534 2.892 11.268 1.00 1.33 H new ATOM 0 HG22 ILE A 156 -0.806 2.472 11.346 1.00 1.33 H new ATOM 0 HG23 ILE A 156 -1.871 2.117 12.727 1.00 1.33 H new ATOM 0 HD11 ILE A 156 -4.648 5.209 12.878 1.00 1.23 H new ATOM 0 HD12 ILE A 156 -3.610 5.364 11.440 1.00 1.23 H new ATOM 0 HD13 ILE A 156 -4.038 3.752 12.060 1.00 1.23 H new ATOM 2377 N THR A 157 1.580 2.470 13.152 1.00 0.90 N ATOM 2378 CA THR A 157 2.772 1.877 12.571 1.00 1.08 C ATOM 2379 C THR A 157 2.558 0.383 12.322 1.00 0.91 C ATOM 2380 O THR A 157 1.628 -0.213 12.863 1.00 0.81 O ATOM 2381 CB THR A 157 3.950 2.176 13.501 1.00 1.48 C ATOM 2382 OG1 THR A 157 3.574 1.580 14.740 1.00 1.62 O ATOM 2383 CG2 THR A 157 4.076 3.665 13.827 1.00 1.64 C ATOM 0 H THR A 157 1.135 1.909 13.879 1.00 0.90 H new ATOM 0 HA THR A 157 2.992 2.308 11.594 1.00 1.08 H new ATOM 0 HB THR A 157 4.874 1.826 13.040 1.00 1.48 H new ATOM 0 HG1 THR A 157 4.283 1.725 15.401 1.00 1.62 H new ATOM 0 HG21 THR A 157 4.927 3.822 14.490 1.00 1.64 H new ATOM 0 HG22 THR A 157 4.225 4.228 12.906 1.00 1.64 H new ATOM 0 HG23 THR A 157 3.166 4.008 14.318 1.00 1.64 H new ATOM 2391 N ILE A 158 3.436 -0.179 11.504 1.00 0.94 N ATOM 2392 CA ILE A 158 3.411 -1.610 11.250 1.00 0.83 C ATOM 2393 C ILE A 158 4.243 -2.328 12.315 1.00 0.87 C ATOM 2394 O ILE A 158 5.384 -1.948 12.575 1.00 0.95 O ATOM 2395 CB ILE A 158 3.857 -1.908 9.817 1.00 0.91 C ATOM 2396 CG1 ILE A 158 2.963 -1.189 8.805 1.00 1.08 C ATOM 2397 CG2 ILE A 158 3.916 -3.415 9.563 1.00 0.90 C ATOM 2398 CD1 ILE A 158 3.495 -1.366 7.381 1.00 1.44 C ATOM 0 H ILE A 158 4.168 0.330 11.009 1.00 0.94 H new ATOM 0 HA ILE A 158 2.393 -1.993 11.329 1.00 0.83 H new ATOM 0 HB ILE A 158 4.867 -1.521 9.686 1.00 0.91 H new ATOM 0 HG12 ILE A 158 1.948 -1.580 8.869 1.00 1.08 H new ATOM 0 HG13 ILE A 158 2.912 -0.128 9.049 1.00 1.08 H new ATOM 0 HG21 ILE A 158 4.236 -3.599 8.537 1.00 0.90 H new ATOM 0 HG22 ILE A 158 4.626 -3.873 10.252 1.00 0.90 H new ATOM 0 HG23 ILE A 158 2.928 -3.849 9.719 1.00 0.90 H new ATOM 0 HD11 ILE A 158 2.841 -0.845 6.681 1.00 1.44 H new ATOM 0 HD12 ILE A 158 4.501 -0.952 7.314 1.00 1.44 H new ATOM 0 HD13 ILE A 158 3.522 -2.427 7.132 1.00 1.44 H new ATOM 2410 N ALA A 159 3.641 -3.352 12.902 1.00 0.93 N ATOM 2411 CA ALA A 159 4.276 -4.068 13.995 1.00 1.00 C ATOM 2412 C ALA A 159 5.192 -5.152 13.423 1.00 0.94 C ATOM 2413 O ALA A 159 6.358 -5.245 13.802 1.00 1.05 O ATOM 2414 CB ALA A 159 3.202 -4.641 14.922 1.00 1.05 C ATOM 0 H ALA A 159 2.720 -3.703 12.641 1.00 0.93 H new ATOM 0 HA ALA A 159 4.893 -3.394 14.589 1.00 1.00 H new ATOM 0 HB1 ALA A 159 3.678 -5.178 15.742 1.00 1.05 H new ATOM 0 HB2 ALA A 159 2.597 -3.828 15.324 1.00 1.05 H new ATOM 0 HB3 ALA A 159 2.565 -5.325 14.362 1.00 1.05 H new ATOM 2420 N ASP A 160 4.630 -5.942 12.521 1.00 0.81 N ATOM 2421 CA ASP A 160 5.348 -7.080 11.972 1.00 0.80 C ATOM 2422 C ASP A 160 4.594 -7.613 10.752 1.00 0.77 C ATOM 2423 O ASP A 160 3.469 -7.195 10.482 1.00 0.71 O ATOM 2424 CB ASP A 160 5.452 -8.212 12.996 1.00 0.81 C ATOM 2425 CG ASP A 160 4.113 -8.716 13.541 1.00 1.92 C ATOM 2426 OD1 ASP A 160 3.513 -9.577 12.862 1.00 3.25 O ATOM 2427 OD2 ASP A 160 3.721 -8.230 14.623 1.00 2.67 O ATOM 0 H ASP A 160 3.686 -5.817 12.156 1.00 0.81 H new ATOM 0 HA ASP A 160 6.350 -6.747 11.700 1.00 0.80 H new ATOM 0 HB2 ASP A 160 5.979 -9.049 12.538 1.00 0.81 H new ATOM 0 HB3 ASP A 160 6.062 -7.870 13.832 1.00 0.81 H new ATOM 2432 N CYS A 161 5.243 -8.529 10.049 1.00 0.98 N ATOM 2433 CA CYS A 161 4.634 -9.148 8.884 1.00 1.11 C ATOM 2434 C CYS A 161 5.407 -10.430 8.563 1.00 1.10 C ATOM 2435 O CYS A 161 6.530 -10.615 9.030 1.00 1.09 O ATOM 2436 CB CYS A 161 4.593 -8.193 7.691 1.00 1.28 C ATOM 2437 SG CYS A 161 6.242 -7.443 7.432 1.00 2.14 S ATOM 0 H CYS A 161 6.184 -8.858 10.264 1.00 0.98 H new ATOM 0 HA CYS A 161 3.595 -9.395 9.102 1.00 1.11 H new ATOM 0 HB2 CYS A 161 4.284 -8.731 6.795 1.00 1.28 H new ATOM 0 HB3 CYS A 161 3.853 -7.412 7.865 1.00 1.28 H new ATOM 0 HG CYS A 161 6.255 -6.805 6.300 1.00 2.14 H new ATOM 2443 N GLY A 162 4.774 -11.281 7.769 1.00 1.31 N ATOM 2444 CA GLY A 162 5.386 -12.542 7.384 1.00 1.50 C ATOM 2445 C GLY A 162 5.029 -12.906 5.940 1.00 1.15 C ATOM 2446 O GLY A 162 5.187 -12.090 5.034 1.00 1.69 O ATOM 0 H GLY A 162 3.844 -11.122 7.382 1.00 1.31 H new ATOM 0 HA2 GLY A 162 6.469 -12.472 7.488 1.00 1.50 H new ATOM 0 HA3 GLY A 162 5.052 -13.333 8.056 1.00 1.50 H new ATOM 2450 N GLN A 163 4.556 -14.132 5.775 1.00 1.44 N ATOM 2451 CA GLN A 163 4.186 -14.619 4.456 1.00 1.17 C ATOM 2452 C GLN A 163 3.354 -15.897 4.576 1.00 1.21 C ATOM 2453 O GLN A 163 3.618 -16.735 5.438 1.00 1.52 O ATOM 2454 CB GLN A 163 5.425 -14.850 3.589 1.00 1.35 C ATOM 2455 CG GLN A 163 5.103 -14.645 2.107 1.00 1.43 C ATOM 2456 CD GLN A 163 6.282 -15.062 1.227 1.00 1.65 C ATOM 2457 OE1 GLN A 163 6.173 -15.916 0.362 1.00 2.37 O ATOM 2458 NE2 GLN A 163 7.413 -14.417 1.495 1.00 2.65 N ATOM 0 H GLN A 163 4.420 -14.803 6.531 1.00 1.44 H new ATOM 0 HA GLN A 163 3.578 -13.858 3.967 1.00 1.17 H new ATOM 0 HB2 GLN A 163 6.217 -14.165 3.891 1.00 1.35 H new ATOM 0 HB3 GLN A 163 5.800 -15.861 3.747 1.00 1.35 H new ATOM 0 HG2 GLN A 163 4.221 -15.227 1.839 1.00 1.43 H new ATOM 0 HG3 GLN A 163 4.861 -13.598 1.925 1.00 1.43 H new ATOM 0 HE21 GLN A 163 7.436 -13.713 2.233 1.00 2.65 H new ATOM 0 HE22 GLN A 163 8.258 -14.626 0.963 1.00 2.65 H new ATOM 2467 N LEU A 164 2.366 -16.008 3.700 1.00 1.06 N ATOM 2468 CA LEU A 164 1.523 -17.191 3.667 1.00 1.29 C ATOM 2469 C LEU A 164 1.514 -17.766 2.250 1.00 1.67 C ATOM 2470 O LEU A 164 0.476 -17.783 1.590 1.00 2.10 O ATOM 2471 CB LEU A 164 0.129 -16.869 4.210 1.00 1.06 C ATOM 2472 CG LEU A 164 0.083 -16.174 5.573 1.00 0.99 C ATOM 2473 CD1 LEU A 164 -1.252 -15.456 5.777 1.00 1.03 C ATOM 2474 CD2 LEU A 164 0.381 -17.162 6.703 1.00 1.31 C ATOM 0 H LEU A 164 2.130 -15.297 3.007 1.00 1.06 H new ATOM 0 HA LEU A 164 1.924 -17.964 4.322 1.00 1.29 H new ATOM 0 HB2 LEU A 164 -0.384 -16.237 3.485 1.00 1.06 H new ATOM 0 HB3 LEU A 164 -0.436 -17.799 4.279 1.00 1.06 H new ATOM 0 HG LEU A 164 0.864 -15.414 5.596 1.00 0.99 H new ATOM 0 HD11 LEU A 164 -1.259 -14.971 6.753 1.00 1.03 H new ATOM 0 HD12 LEU A 164 -1.384 -14.706 4.998 1.00 1.03 H new ATOM 0 HD13 LEU A 164 -2.066 -16.179 5.726 1.00 1.03 H new ATOM 0 HD21 LEU A 164 0.342 -16.642 7.660 1.00 1.31 H new ATOM 0 HD22 LEU A 164 -0.361 -17.961 6.693 1.00 1.31 H new ATOM 0 HD23 LEU A 164 1.374 -17.588 6.562 1.00 1.31 H new ATOM 2486 N GLU A 165 2.682 -18.224 1.824 1.00 2.07 N ATOM 2487 CA GLU A 165 2.822 -18.796 0.495 1.00 2.64 C ATOM 2488 C GLU A 165 1.954 -20.050 0.364 1.00 3.21 C ATOM 2489 O GLU A 165 1.592 -20.665 1.365 1.00 3.24 O ATOM 2490 CB GLU A 165 4.287 -19.108 0.185 1.00 3.15 C ATOM 2491 CG GLU A 165 4.718 -20.424 0.835 1.00 3.63 C ATOM 2492 CD GLU A 165 4.668 -20.323 2.361 1.00 4.25 C ATOM 2493 OE1 GLU A 165 4.994 -19.229 2.868 1.00 4.79 O ATOM 2494 OE2 GLU A 165 4.305 -21.344 2.986 1.00 5.20 O ATOM 0 H GLU A 165 3.540 -18.211 2.375 1.00 2.07 H new ATOM 0 HA GLU A 165 2.479 -18.062 -0.234 1.00 2.64 H new ATOM 0 HB2 GLU A 165 4.429 -19.168 -0.894 1.00 3.15 H new ATOM 0 HB3 GLU A 165 4.919 -18.296 0.545 1.00 3.15 H new ATOM 0 HG2 GLU A 165 4.066 -21.231 0.499 1.00 3.63 H new ATOM 0 HG3 GLU A 165 5.729 -20.677 0.516 1.00 3.63 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.414 18.037 -5.263 1.00 1.29 N HETATM 2503 CA DAL B 201 -8.228 16.871 -5.560 1.00 1.09 C HETATM 2504 CB DAL B 201 -9.694 17.177 -5.246 1.00 1.04 C HETATM 2505 C DAL B 201 -7.700 15.672 -4.770 1.00 0.98 C HETATM 2506 O DAL B 201 -7.029 15.840 -3.753 1.00 1.04 O HETATM 0 HB3 DAL B 201 -9.795 17.430 -4.191 1.00 1.04 H new HETATM 0 HB2 DAL B 201 -10.029 18.017 -5.854 1.00 1.04 H new HETATM 0 HB1 DAL B 201 -10.304 16.302 -5.469 1.00 1.04 H new HETATM 0 HA DAL B 201 -8.168 16.621 -6.619 1.00 1.09 H new HETATM 0 H DAL B 201 -7.851 18.885 -4.902 1.00 1.29 H new HETATM 2512 N MLE B 202 -8.023 14.486 -5.268 1.00 0.87 N HETATM 2513 CN MLE B 202 -8.911 14.252 -6.828 1.00 0.90 C HETATM 2514 CA MLE B 202 -7.675 13.260 -4.569 1.00 0.82 C HETATM 2515 CB MLE B 202 -8.935 12.556 -4.063 1.00 0.79 C HETATM 2516 CG MLE B 202 -10.025 13.462 -3.486 1.00 1.00 C HETATM 2517 CD1 MLE B 202 -11.321 12.682 -3.255 1.00 1.93 C HETATM 2518 CD2 MLE B 202 -9.541 14.158 -2.212 1.00 1.01 C HETATM 2519 C MLE B 202 -6.806 12.390 -5.478 1.00 0.80 C HETATM 2520 O MLE B 202 -7.231 11.320 -5.911 1.00 0.76 O HETATM 0 HD23 MLE B 202 -9.278 13.409 -1.465 1.00 1.01 H new HETATM 0 HD22 MLE B 202 -8.665 14.766 -2.440 1.00 1.01 H new HETATM 0 HD21 MLE B 202 -10.334 14.796 -1.822 1.00 1.01 H new HETATM 0 HD13 MLE B 202 -11.673 12.272 -4.202 1.00 1.93 H new HETATM 0 HD12 MLE B 202 -11.136 11.868 -2.554 1.00 1.93 H new HETATM 0 HD11 MLE B 202 -12.079 13.349 -2.845 1.00 1.93 H new HETATM 0 HN3 MLE B 202 -8.297 13.667 -7.512 1.00 0.90 H new HETATM 0 HN2 MLE B 202 -9.846 13.725 -6.639 1.00 0.90 H new HETATM 0 HN1 MLE B 202 -9.126 15.223 -7.274 1.00 0.90 H new HETATM 0 HG MLE B 202 -10.244 14.241 -4.216 1.00 1.00 H new HETATM 0 HB3 MLE B 202 -9.364 11.985 -4.887 1.00 0.79 H new HETATM 0 HB2 MLE B 202 -8.643 11.839 -3.296 1.00 0.79 H new HETATM 0 HA MLE B 202 -7.084 13.482 -3.680 1.00 0.82 H new HETATM 2531 N MLE B 203 -5.604 12.881 -5.743 1.00 0.87 N HETATM 2532 CN MLE B 203 -5.018 14.491 -5.158 1.00 1.02 C HETATM 2533 CA MLE B 203 -4.650 12.134 -6.544 1.00 0.88 C HETATM 2534 CB MLE B 203 -4.040 13.030 -7.624 1.00 0.92 C HETATM 2535 CG MLE B 203 -5.025 13.892 -8.416 1.00 0.90 C HETATM 2536 CD1 MLE B 203 -4.317 14.630 -9.553 1.00 0.95 C HETATM 2537 CD2 MLE B 203 -6.203 13.055 -8.920 1.00 0.85 C HETATM 2538 C MLE B 203 -3.613 11.488 -5.623 1.00 0.96 C HETATM 2539 O MLE B 203 -3.321 12.011 -4.548 1.00 1.10 O HETATM 0 HD23 MLE B 203 -5.834 12.261 -9.569 1.00 0.85 H new HETATM 0 HD22 MLE B 203 -6.727 12.616 -8.071 1.00 0.85 H new HETATM 0 HD21 MLE B 203 -6.888 13.691 -9.480 1.00 0.85 H new HETATM 0 HD13 MLE B 203 -3.542 15.276 -9.141 1.00 0.95 H new HETATM 0 HD12 MLE B 203 -3.864 13.906 -10.230 1.00 0.95 H new HETATM 0 HD11 MLE B 203 -5.040 15.235 -10.100 1.00 0.95 H new HETATM 0 HN3 MLE B 203 -4.132 14.353 -4.539 1.00 1.02 H new HETATM 0 HN2 MLE B 203 -4.769 15.120 -6.013 1.00 1.02 H new HETATM 0 HN1 MLE B 203 -5.800 14.971 -4.570 1.00 1.02 H new HETATM 0 HG MLE B 203 -5.432 14.650 -7.746 1.00 0.90 H new HETATM 0 HB3 MLE B 203 -3.310 13.688 -7.152 1.00 0.92 H new HETATM 0 HB2 MLE B 203 -3.494 12.399 -8.326 1.00 0.92 H new HETATM 0 HA MLE B 203 -5.150 11.326 -7.078 1.00 0.88 H new HETATM 2550 N MVA B 204 -3.084 10.362 -6.078 1.00 0.90 N HETATM 2551 CN MVA B 204 -3.455 9.653 -7.701 1.00 0.84 C HETATM 2552 CA MVA B 204 -2.143 9.598 -5.276 1.00 0.96 C HETATM 2553 CB MVA B 204 -2.686 8.189 -5.032 1.00 1.06 C HETATM 2554 CG1 MVA B 204 -1.896 7.481 -3.929 1.00 1.21 C HETATM 2555 CG2 MVA B 204 -4.179 8.226 -4.699 1.00 1.00 C HETATM 2556 C MVA B 204 -0.775 9.602 -5.960 1.00 0.98 C HETATM 2557 O MVA B 204 -0.390 8.618 -6.591 1.00 0.98 O HETATM 0 HG23 MVA B 204 -4.337 8.821 -3.800 1.00 1.00 H new HETATM 0 HG22 MVA B 204 -4.726 8.672 -5.530 1.00 1.00 H new HETATM 0 HG21 MVA B 204 -4.539 7.211 -4.530 1.00 1.00 H new HETATM 0 HG13 MVA B 204 -0.849 7.406 -4.222 1.00 1.21 H new HETATM 0 HG12 MVA B 204 -1.974 8.051 -3.003 1.00 1.21 H new HETATM 0 HG11 MVA B 204 -2.302 6.481 -3.775 1.00 1.21 H new HETATM 0 HN3 MVA B 204 -2.537 9.578 -8.284 1.00 0.84 H new HETATM 0 HN2 MVA B 204 -3.887 8.660 -7.574 1.00 0.84 H new HETATM 0 HN1 MVA B 204 -4.165 10.293 -8.224 1.00 0.84 H new HETATM 0 HB MVA B 204 -2.562 7.619 -5.953 1.00 1.06 H new HETATM 0 HA MVA B 204 -2.017 10.057 -4.295 1.00 0.96 H new HETATM 2566 N BMT B 205 -0.097 10.787 -5.913 1.00 1.06 N HETATM 2567 CN BMT B 205 -0.356 11.923 -4.528 1.00 1.08 C HETATM 2568 CA BMT B 205 1.221 10.851 -6.521 1.00 1.17 C HETATM 2569 C BMT B 205 2.303 10.536 -5.486 1.00 1.15 C HETATM 2570 O BMT B 205 2.003 10.030 -4.406 1.00 1.19 O HETATM 2571 CB BMT B 205 1.379 12.231 -7.163 1.00 1.22 C HETATM 2572 OG1 BMT B 205 1.403 13.129 -6.057 1.00 1.17 O HETATM 2573 CG2 BMT B 205 0.140 12.653 -7.957 1.00 1.30 C HETATM 2574 CD1 BMT B 205 -0.382 11.481 -8.791 1.00 1.40 C HETATM 2575 CD2 BMT B 205 0.282 13.901 -8.719 1.00 1.63 C HETATM 2576 CE BMT B 205 1.380 13.980 -9.666 1.00 1.32 C HETATM 2577 CZ BMT B 205 2.479 14.622 -9.631 1.00 1.48 C HETATM 2578 CH BMT B 205 3.578 14.745 -10.655 1.00 1.50 C HETATM 0 HD23 BMT B 205 -0.647 14.072 -9.264 1.00 1.63 H new HETATM 0 HD22 BMT B 205 0.390 14.720 -8.008 1.00 1.63 H new HETATM 0 HD13 BMT B 205 0.392 11.156 -9.486 1.00 1.40 H new HETATM 0 HD12 BMT B 205 -0.647 10.655 -8.131 1.00 1.40 H new HETATM 0 HD11 BMT B 205 -1.263 11.796 -9.350 1.00 1.40 H new HETATM 0 HZ BMT B 205 2.654 15.174 -8.708 1.00 1.48 H new HETATM 0 HN3 BMT B 205 0.363 11.704 -3.738 1.00 1.08 H new HETATM 0 HN2 BMT B 205 -0.219 12.949 -4.869 1.00 1.08 H new HETATM 0 HN1 BMT B 205 -1.368 11.801 -4.142 1.00 1.08 H new HETATM 0 HH3 BMT B 205 3.985 13.757 -10.872 1.00 1.50 H new HETATM 0 HH2 BMT B 205 3.176 15.181 -11.570 1.00 1.50 H new HETATM 0 HH1 BMT B 205 4.369 15.386 -10.265 1.00 1.50 H new HETATM 0 HG2 BMT B 205 -0.622 12.912 -7.222 1.00 1.30 H new HETATM 0 HG1 BMT B 205 0.815 13.891 -6.241 1.00 1.17 H new HETATM 0 HE BMT B 205 1.238 13.384 -10.567 1.00 1.32 H new HETATM 0 HB BMT B 205 2.249 12.227 -7.820 1.00 1.22 H new HETATM 0 HA BMT B 205 1.333 10.098 -7.301 1.00 1.17 H new HETATM 2593 N ABA B 206 3.537 10.848 -5.853 1.00 1.21 N HETATM 2594 CA ABA B 206 4.676 10.500 -5.020 1.00 1.28 C HETATM 2595 C ABA B 206 5.754 11.582 -5.113 1.00 1.27 C HETATM 2596 O ABA B 206 6.808 11.363 -5.706 1.00 1.35 O HETATM 2597 CB ABA B 206 5.166 9.115 -5.445 1.00 1.48 C HETATM 2598 CG ABA B 206 4.080 8.045 -5.319 1.00 1.22 C HETATM 0 HG3 ABA B 206 3.233 8.310 -5.952 1.00 1.22 H new HETATM 0 HG2 ABA B 206 3.751 7.981 -4.282 1.00 1.22 H new HETATM 0 HG1 ABA B 206 4.481 7.081 -5.633 1.00 1.22 H new HETATM 0 HB3 ABA B 206 6.023 8.833 -4.833 1.00 1.48 H new HETATM 0 HB2 ABA B 206 5.512 9.157 -6.478 1.00 1.48 H new HETATM 0 HA ABA B 206 4.398 10.453 -3.967 1.00 1.28 H new HETATM 0 H ABA B 206 3.544 11.715 -6.390 1.00 1.21 H new HETATM 2606 N SAR B 207 5.452 12.725 -4.516 1.00 1.22 N HETATM 2607 CA SAR B 207 6.390 13.883 -4.557 1.00 1.27 C HETATM 2608 C SAR B 207 5.839 15.320 -4.560 1.00 1.34 C HETATM 2609 O SAR B 207 6.288 16.277 -3.947 1.00 1.46 O HETATM 2610 CN SAR B 207 3.829 12.796 -3.646 1.00 1.16 C HETATM 0 HN3 SAR B 207 3.992 13.008 -2.589 1.00 1.16 H new HETATM 0 HN2 SAR B 207 3.216 13.584 -4.084 1.00 1.16 H new HETATM 0 HN1 SAR B 207 3.318 11.839 -3.750 1.00 1.16 H new HETATM 0 HA3 SAR B 207 7.055 13.792 -3.698 1.00 1.27 H new HETATM 0 HA2 SAR B 207 7.006 13.770 -5.449 1.00 1.27 H new HETATM 2613 N MLE B 208 4.765 15.506 -5.313 1.00 1.32 N HETATM 2614 CN MLE B 208 3.910 14.505 -6.555 1.00 1.31 C HETATM 2615 CA MLE B 208 4.172 16.808 -5.060 1.00 1.39 C HETATM 2616 CB MLE B 208 4.831 17.877 -5.934 1.00 1.49 C HETATM 2617 CG MLE B 208 4.008 19.143 -6.181 1.00 1.87 C HETATM 2618 CD1 MLE B 208 3.703 19.863 -4.866 1.00 3.51 C HETATM 2619 CD2 MLE B 208 4.703 20.060 -7.189 1.00 2.53 C HETATM 2620 C MLE B 208 2.655 16.717 -5.241 1.00 1.31 C HETATM 2621 O MLE B 208 2.156 16.771 -6.362 1.00 1.47 O HETATM 0 HD23 MLE B 208 5.681 20.349 -6.804 1.00 2.53 H new HETATM 0 HD22 MLE B 208 4.826 19.533 -8.135 1.00 2.53 H new HETATM 0 HD21 MLE B 208 4.097 20.952 -7.347 1.00 2.53 H new HETATM 0 HD13 MLE B 208 3.137 19.200 -4.211 1.00 3.51 H new HETATM 0 HD12 MLE B 208 4.637 20.143 -4.379 1.00 3.51 H new HETATM 0 HD11 MLE B 208 3.117 20.759 -5.069 1.00 3.51 H new HETATM 0 HN3 MLE B 208 2.885 14.324 -6.233 1.00 1.31 H new HETATM 0 HN2 MLE B 208 3.903 15.035 -7.507 1.00 1.31 H new HETATM 0 HN1 MLE B 208 4.427 13.553 -6.674 1.00 1.31 H new HETATM 0 HG MLE B 208 3.053 18.851 -6.617 1.00 1.87 H new HETATM 0 HB3 MLE B 208 5.775 18.166 -5.471 1.00 1.49 H new HETATM 0 HB2 MLE B 208 5.073 17.431 -6.899 1.00 1.49 H new HETATM 0 HA MLE B 208 4.354 17.114 -4.030 1.00 1.39 H new ATOM 2632 N VAL B 209 1.965 16.578 -4.118 1.00 1.27 N ATOM 2633 CA VAL B 209 0.529 16.353 -4.144 1.00 1.16 C ATOM 2634 C VAL B 209 -0.175 17.628 -4.610 1.00 1.31 C ATOM 2635 O VAL B 209 0.192 18.728 -4.200 1.00 1.58 O ATOM 2636 CB VAL B 209 0.050 15.871 -2.774 1.00 1.24 C ATOM 2637 CG1 VAL B 209 -1.462 15.633 -2.774 1.00 1.16 C ATOM 2638 CG2 VAL B 209 0.803 14.611 -2.341 1.00 1.24 C ATOM 0 H VAL B 209 2.374 16.617 -3.184 1.00 1.27 H new ATOM 0 HA VAL B 209 0.279 15.566 -4.856 1.00 1.16 H new ATOM 0 HB VAL B 209 0.266 16.656 -2.049 1.00 1.24 H new ATOM 0 HG11 VAL B 209 -1.776 15.291 -1.788 1.00 1.16 H new ATOM 0 HG12 VAL B 209 -1.977 16.563 -3.017 1.00 1.16 H new ATOM 0 HG13 VAL B 209 -1.711 14.876 -3.517 1.00 1.16 H new ATOM 0 HG21 VAL B 209 0.443 14.290 -1.364 1.00 1.24 H new ATOM 0 HG22 VAL B 209 0.634 13.818 -3.069 1.00 1.24 H new ATOM 0 HG23 VAL B 209 1.870 14.827 -2.282 1.00 1.24 H new HETATM 2648 N MLE B 210 -1.173 17.438 -5.460 1.00 1.19 N HETATM 2649 CN MLE B 210 -1.715 15.812 -6.039 1.00 0.92 C HETATM 2650 CA MLE B 210 -1.921 18.563 -5.998 1.00 1.43 C HETATM 2651 CB MLE B 210 -1.877 18.552 -7.527 1.00 1.55 C HETATM 2652 CG MLE B 210 -0.545 18.139 -8.157 1.00 1.61 C HETATM 2653 CD1 MLE B 210 -0.713 17.837 -9.648 1.00 1.80 C HETATM 2654 CD2 MLE B 210 0.531 19.197 -7.904 1.00 1.85 C HETATM 2655 C MLE B 210 -3.339 18.548 -5.424 1.00 1.36 C HETATM 2656 O MLE B 210 -3.648 17.747 -4.543 1.00 1.19 O HETATM 0 HD23 MLE B 210 0.218 20.146 -8.339 1.00 1.85 H new HETATM 0 HD22 MLE B 210 0.675 19.320 -6.831 1.00 1.85 H new HETATM 0 HD21 MLE B 210 1.468 18.880 -8.362 1.00 1.85 H new HETATM 0 HD13 MLE B 210 -1.427 17.023 -9.776 1.00 1.80 H new HETATM 0 HD12 MLE B 210 -1.080 18.726 -10.160 1.00 1.80 H new HETATM 0 HD11 MLE B 210 0.249 17.546 -10.071 1.00 1.80 H new HETATM 0 HN3 MLE B 210 -2.757 15.655 -5.760 1.00 0.92 H new HETATM 0 HN2 MLE B 210 -1.618 15.761 -7.123 1.00 0.92 H new HETATM 0 HN1 MLE B 210 -1.097 15.039 -5.583 1.00 0.92 H new HETATM 0 HG MLE B 210 -0.211 17.218 -7.678 1.00 1.61 H new HETATM 0 HB3 MLE B 210 -2.652 17.876 -7.888 1.00 1.55 H new HETATM 0 HB2 MLE B 210 -2.132 19.549 -7.885 1.00 1.55 H new HETATM 0 HA MLE B 210 -1.464 19.505 -5.695 1.00 1.43 H new ATOM 2667 N ALA B 211 -4.164 19.443 -5.947 1.00 1.57 N ATOM 2668 CA ALA B 211 -5.544 19.539 -5.503 1.00 1.55 C ATOM 2669 C ALA B 211 -6.304 18.285 -5.942 1.00 1.32 C ATOM 2670 O ALA B 211 -5.878 17.587 -6.861 1.00 1.28 O ATOM 2671 CB ALA B 211 -6.171 20.822 -6.052 1.00 1.81 C ATOM 0 H ALA B 211 -3.903 20.109 -6.675 1.00 1.57 H new ATOM 0 HA ALA B 211 -5.594 19.592 -4.415 1.00 1.55 H new ATOM 0 HB1 ALA B 211 -7.206 20.893 -5.718 1.00 1.81 H new ATOM 0 HB2 ALA B 211 -5.613 21.684 -5.688 1.00 1.81 H new ATOM 0 HB3 ALA B 211 -6.142 20.804 -7.141 1.00 1.81 H new TER 2677 ALA B 211