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 153 SER OG : rot 141:sc= 0.259 USER MOD Set 1.2: A 154 LYS NZ :NH3+ -160:sc= 2.02 (180deg=0.146) USER MOD Set 2.1: A 147 SER OG : rot -67:sc= 0.875 USER MOD Set 2.2: A 149 ASN : amide:sc= -2.1 K(o=-1.2,f=-2.1) USER MOD Set 3.1: A 102 ASN : amide:sc= -0.743 K(o=-4.5,f=-13!) USER MOD Set 3.2: A 126 HIS : no HE2:sc= -3.71! C(o=-4.5!,f=-16!) USER MOD Set 4.1: A 115 CYS SG : rot -104:sc= 1.29 USER MOD Set 4.2: A 119 THR OG1 : rot -120:sc= 1.31 USER MOD Set 5.1: A 63 GLN : amide:sc= 0.184 K(o=-2.4,f=-2.9) USER MOD Set 5.2: A 111 GLN : amide:sc= -2.54! C(o=-2.4!,f=-2.9!) USER MOD Set 6.1: A 62 CYS SG : rot -132:sc= 0.365 USER MOD Set 6.2: A 142 MET CE :methyl -137:sc= -0.301 (180deg=-0.722) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.00602) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.371 (180deg=-0.796) USER MOD Single : A 3 ASN : amide:sc= 0.437 K(o=0.44,f=-4.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0746 USER MOD Single : A 21 SER OG : rot 180:sc= -0.722 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 1.21 (180deg=0.926) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 1.07 (180deg=1.04) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 35 ASN : amide:sc= 0.378 K(o=0.38,f=-1.1) USER MOD Single : A 40 SER OG : rot 141:sc= 0.205 USER MOD Single : A 41 THR OG1 : rot -34:sc= 0.408 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 2.27 (180deg=1.64) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 51 SER OG : rot -161:sc= 0.83 USER MOD Single : A 52 CYS SG : rot -83:sc= -0.519 USER MOD Single : A 54 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.389 (180deg=-0.389) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.344 K(o=0.34,f=-1.9!) USER MOD Single : A 71 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.019) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.14) USER MOD Single : A 77 SER OG : rot -155:sc= 1.87 USER MOD Single : A 79 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -99:sc= 1.25 (180deg=-0.246) USER MOD Single : A 87 ASN : amide:sc= 1.94 K(o=1.9,f=-6.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-1.2) USER MOD Single : A 93 THR OG1 : rot 160:sc= -0.225 USER MOD Single : A 99 SER OG : rot 70:sc= 0.536! USER MOD Single : A 100 MET CE :methyl 154:sc= -0.103 (180deg=-0.908) USER MOD Single : A 106 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.77) USER MOD Single : A 107 THR OG1 : rot 68:sc= 0.018 USER MOD Single : A 108 ASN : amide:sc= 0.848 K(o=0.85,f=-7.7!) USER MOD Single : A 110 SER OG : rot 77:sc= 1.32 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= 0.485 (180deg=0.337) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -148:sc= 2.25 (180deg=-0.493) USER MOD Single : A 133 LYS NZ :NH3+ 157:sc= 0.0929! (180deg=-0.324!) USER MOD Single : A 136 MET CE :methyl -154:sc= -0.166 (180deg=-1.35) USER MOD Single : A 137 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 151 LYS NZ :NH3+ 171:sc= 0.8 (180deg=0.639) USER MOD Single : A 152 THR OG1 : rot 94:sc= 1.11 USER MOD Single : A 155 LYS NZ :NH3+ -161:sc= -0.0326 (180deg=-0.345) USER MOD Single : A 157 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 161 CYS SG : rot 180:sc= -0.201 USER MOD Single : A 163 GLN : amide:sc= 0.415 K(o=0.41,f=-1.2) USER MOD Single : B 205 BMT OG1 : rot -103:sc= -3.92! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.975 -20.056 -12.286 1.00 5.69 N ATOM 2 CA MET A 1 -2.235 -19.686 -11.663 1.00 5.59 C ATOM 3 C MET A 1 -2.074 -19.533 -10.149 1.00 4.22 C ATOM 4 O MET A 1 -2.934 -18.956 -9.486 1.00 4.74 O ATOM 5 CB MET A 1 -3.286 -20.759 -11.960 1.00 7.00 C ATOM 6 CG MET A 1 -3.630 -20.791 -13.450 1.00 8.13 C ATOM 7 SD MET A 1 -4.568 -19.339 -13.891 1.00 9.97 S ATOM 8 CE MET A 1 -6.208 -19.880 -13.439 1.00 11.45 C ATOM 0 H1 MET A 1 -1.039 -19.908 -13.313 1.00 5.69 H new ATOM 0 H2 MET A 1 -0.210 -19.468 -11.898 1.00 5.69 H new ATOM 0 H3 MET A 1 -0.773 -21.058 -12.093 1.00 5.69 H new ATOM 0 HA MET A 1 -2.555 -18.728 -12.074 1.00 5.59 H new ATOM 0 HB2 MET A 1 -2.913 -21.735 -11.648 1.00 7.00 H new ATOM 0 HB3 MET A 1 -4.187 -20.561 -11.379 1.00 7.00 H new ATOM 0 HG2 MET A 1 -2.716 -20.837 -14.042 1.00 8.13 H new ATOM 0 HG3 MET A 1 -4.204 -21.689 -13.680 1.00 8.13 H new ATOM 0 HE1 MET A 1 -6.933 -19.115 -13.716 1.00 11.45 H new ATOM 0 HE2 MET A 1 -6.442 -20.808 -13.961 1.00 11.45 H new ATOM 0 HE3 MET A 1 -6.252 -20.049 -12.363 1.00 11.45 H new ATOM 18 N VAL A 2 -0.967 -20.060 -9.647 1.00 3.16 N ATOM 19 CA VAL A 2 -0.688 -19.999 -8.223 1.00 2.45 C ATOM 20 C VAL A 2 -0.477 -18.541 -7.811 1.00 2.09 C ATOM 21 O VAL A 2 0.253 -17.805 -8.472 1.00 3.11 O ATOM 22 CB VAL A 2 0.505 -20.896 -7.884 1.00 3.09 C ATOM 23 CG1 VAL A 2 1.815 -20.273 -8.374 1.00 4.21 C ATOM 24 CG2 VAL A 2 0.563 -21.187 -6.384 1.00 3.23 C ATOM 0 H VAL A 2 -0.252 -20.531 -10.202 1.00 3.16 H new ATOM 0 HA VAL A 2 -1.535 -20.379 -7.651 1.00 2.45 H new ATOM 0 HB VAL A 2 0.370 -21.845 -8.403 1.00 3.09 H new ATOM 0 HG11 VAL A 2 2.647 -20.930 -8.121 1.00 4.21 H new ATOM 0 HG12 VAL A 2 1.773 -20.141 -9.455 1.00 4.21 H new ATOM 0 HG13 VAL A 2 1.959 -19.304 -7.895 1.00 4.21 H new ATOM 0 HG21 VAL A 2 1.420 -21.826 -6.170 1.00 3.23 H new ATOM 0 HG22 VAL A 2 0.663 -20.251 -5.835 1.00 3.23 H new ATOM 0 HG23 VAL A 2 -0.352 -21.692 -6.076 1.00 3.23 H new ATOM 34 N ASN A 3 -1.129 -18.168 -6.720 1.00 1.34 N ATOM 35 CA ASN A 3 -1.015 -16.813 -6.206 1.00 0.99 C ATOM 36 C ASN A 3 -0.838 -16.860 -4.687 1.00 0.93 C ATOM 37 O ASN A 3 -1.779 -17.173 -3.959 1.00 1.05 O ATOM 38 CB ASN A 3 -2.276 -16.001 -6.511 1.00 0.96 C ATOM 39 CG ASN A 3 -2.348 -15.636 -7.995 1.00 1.26 C ATOM 40 OD1 ASN A 3 -1.361 -15.296 -8.626 1.00 2.41 O ATOM 41 ND2 ASN A 3 -3.569 -15.726 -8.514 1.00 1.49 N ATOM 0 H ASN A 3 -1.738 -18.780 -6.177 1.00 1.34 H new ATOM 0 HA ASN A 3 -0.157 -16.342 -6.686 1.00 0.99 H new ATOM 0 HB2 ASN A 3 -3.159 -16.575 -6.231 1.00 0.96 H new ATOM 0 HB3 ASN A 3 -2.282 -15.093 -5.909 1.00 0.96 H new ATOM 0 HD21 ASN A 3 -3.723 -15.504 -9.498 1.00 1.49 H new ATOM 0 HD22 ASN A 3 -4.352 -16.017 -7.929 1.00 1.49 H new ATOM 48 N PRO A 4 0.406 -16.537 -4.243 1.00 0.96 N ATOM 49 CA PRO A 4 0.711 -16.512 -2.823 1.00 0.99 C ATOM 50 C PRO A 4 0.112 -15.272 -2.156 1.00 0.74 C ATOM 51 O PRO A 4 -0.457 -14.414 -2.829 1.00 0.92 O ATOM 52 CB PRO A 4 2.228 -16.556 -2.745 1.00 1.34 C ATOM 53 CG PRO A 4 2.728 -16.135 -4.118 1.00 1.46 C ATOM 54 CD PRO A 4 1.551 -16.188 -5.079 1.00 1.21 C ATOM 0 HA PRO A 4 0.274 -17.353 -2.284 1.00 0.99 H new ATOM 0 HB2 PRO A 4 2.599 -15.884 -1.971 1.00 1.34 H new ATOM 0 HB3 PRO A 4 2.577 -17.557 -2.492 1.00 1.34 H new ATOM 0 HG2 PRO A 4 3.145 -15.129 -4.080 1.00 1.46 H new ATOM 0 HG3 PRO A 4 3.525 -16.798 -4.454 1.00 1.46 H new ATOM 0 HD2 PRO A 4 1.401 -15.229 -5.575 1.00 1.21 H new ATOM 0 HD3 PRO A 4 1.711 -16.930 -5.861 1.00 1.21 H new ATOM 62 N THR A 5 0.264 -15.217 -0.841 1.00 0.70 N ATOM 63 CA THR A 5 -0.407 -14.195 -0.053 1.00 0.61 C ATOM 64 C THR A 5 0.575 -13.548 0.925 1.00 0.65 C ATOM 65 O THR A 5 1.595 -14.141 1.272 1.00 0.81 O ATOM 66 CB THR A 5 -1.611 -14.843 0.633 1.00 0.66 C ATOM 67 OG1 THR A 5 -2.340 -15.441 -0.435 1.00 1.04 O ATOM 68 CG2 THR A 5 -2.580 -13.809 1.212 1.00 0.98 C ATOM 0 H THR A 5 0.841 -15.862 -0.301 1.00 0.70 H new ATOM 0 HA THR A 5 -0.772 -13.384 -0.683 1.00 0.61 H new ATOM 0 HB THR A 5 -1.264 -15.502 1.429 1.00 0.66 H new ATOM 0 HG1 THR A 5 -3.137 -15.885 -0.078 1.00 1.04 H new ATOM 0 HG21 THR A 5 -3.417 -14.321 1.688 1.00 0.98 H new ATOM 0 HG22 THR A 5 -2.061 -13.198 1.951 1.00 0.98 H new ATOM 0 HG23 THR A 5 -2.953 -13.171 0.411 1.00 0.98 H new ATOM 76 N VAL A 6 0.232 -12.338 1.343 1.00 0.60 N ATOM 77 CA VAL A 6 0.944 -11.692 2.433 1.00 0.60 C ATOM 78 C VAL A 6 -0.065 -11.084 3.408 1.00 0.66 C ATOM 79 O VAL A 6 -1.261 -11.048 3.125 1.00 0.74 O ATOM 80 CB VAL A 6 1.932 -10.664 1.876 1.00 0.66 C ATOM 81 CG1 VAL A 6 2.938 -11.326 0.933 1.00 1.12 C ATOM 82 CG2 VAL A 6 1.196 -9.519 1.178 1.00 1.21 C ATOM 0 H VAL A 6 -0.530 -11.788 0.946 1.00 0.60 H new ATOM 0 HA VAL A 6 1.533 -12.421 2.989 1.00 0.60 H new ATOM 0 HB VAL A 6 2.487 -10.243 2.715 1.00 0.66 H new ATOM 0 HG11 VAL A 6 3.628 -10.574 0.551 1.00 1.12 H new ATOM 0 HG12 VAL A 6 3.496 -12.089 1.475 1.00 1.12 H new ATOM 0 HG13 VAL A 6 2.407 -11.787 0.100 1.00 1.12 H new ATOM 0 HG21 VAL A 6 1.921 -8.803 0.791 1.00 1.21 H new ATOM 0 HG22 VAL A 6 0.603 -9.916 0.354 1.00 1.21 H new ATOM 0 HG23 VAL A 6 0.538 -9.021 1.891 1.00 1.21 H new ATOM 92 N PHE A 7 0.454 -10.621 4.535 1.00 0.79 N ATOM 93 CA PHE A 7 -0.374 -9.938 5.515 1.00 0.97 C ATOM 94 C PHE A 7 0.473 -9.041 6.420 1.00 0.61 C ATOM 95 O PHE A 7 1.585 -9.408 6.796 1.00 0.67 O ATOM 96 CB PHE A 7 -1.040 -11.019 6.369 1.00 1.42 C ATOM 97 CG PHE A 7 -0.057 -11.872 7.172 1.00 1.28 C ATOM 98 CD1 PHE A 7 0.683 -12.827 6.547 1.00 2.40 C ATOM 99 CD2 PHE A 7 0.077 -11.676 8.511 1.00 1.76 C ATOM 100 CE1 PHE A 7 1.596 -13.619 7.292 1.00 2.78 C ATOM 101 CE2 PHE A 7 0.990 -12.468 9.257 1.00 2.04 C ATOM 102 CZ PHE A 7 1.730 -13.422 8.631 1.00 2.15 C ATOM 0 H PHE A 7 1.438 -10.705 4.792 1.00 0.79 H new ATOM 0 HA PHE A 7 -1.107 -9.310 5.009 1.00 0.97 H new ATOM 0 HB2 PHE A 7 -1.739 -10.544 7.057 1.00 1.42 H new ATOM 0 HB3 PHE A 7 -1.625 -11.671 5.720 1.00 1.42 H new ATOM 0 HD1 PHE A 7 0.576 -12.983 5.484 1.00 2.40 H new ATOM 0 HD2 PHE A 7 -0.511 -10.918 9.007 1.00 1.76 H new ATOM 0 HE1 PHE A 7 2.184 -14.377 6.796 1.00 2.78 H new ATOM 0 HE2 PHE A 7 1.096 -12.313 10.320 1.00 2.04 H new ATOM 0 HZ PHE A 7 2.425 -14.024 9.198 1.00 2.15 H new ATOM 112 N PHE A 8 -0.084 -7.884 6.742 1.00 0.88 N ATOM 113 CA PHE A 8 0.578 -6.962 7.650 1.00 0.77 C ATOM 114 C PHE A 8 -0.364 -6.530 8.776 1.00 0.71 C ATOM 115 O PHE A 8 -1.542 -6.270 8.539 1.00 0.91 O ATOM 116 CB PHE A 8 0.970 -5.731 6.829 1.00 1.24 C ATOM 117 CG PHE A 8 1.921 -6.033 5.670 1.00 1.45 C ATOM 118 CD1 PHE A 8 1.425 -6.440 4.471 1.00 2.37 C ATOM 119 CD2 PHE A 8 3.264 -5.895 5.838 1.00 2.72 C ATOM 120 CE1 PHE A 8 2.308 -6.720 3.395 1.00 3.43 C ATOM 121 CE2 PHE A 8 4.147 -6.175 4.762 1.00 3.59 C ATOM 122 CZ PHE A 8 3.650 -6.583 3.563 1.00 3.67 C ATOM 0 H PHE A 8 -0.986 -7.563 6.391 1.00 0.88 H new ATOM 0 HA PHE A 8 1.445 -7.443 8.102 1.00 0.77 H new ATOM 0 HB2 PHE A 8 0.066 -5.269 6.433 1.00 1.24 H new ATOM 0 HB3 PHE A 8 1.438 -5.001 7.489 1.00 1.24 H new ATOM 0 HD1 PHE A 8 0.359 -6.550 4.337 1.00 2.37 H new ATOM 0 HD2 PHE A 8 3.659 -5.572 6.790 1.00 2.72 H new ATOM 0 HE1 PHE A 8 1.913 -7.042 2.443 1.00 3.43 H new ATOM 0 HE2 PHE A 8 5.213 -6.064 4.895 1.00 3.59 H new ATOM 0 HZ PHE A 8 4.321 -6.798 2.745 1.00 3.67 H new ATOM 132 N ASP A 9 0.192 -6.468 9.977 1.00 0.58 N ATOM 133 CA ASP A 9 -0.600 -6.145 11.151 1.00 0.59 C ATOM 134 C ASP A 9 -0.519 -4.641 11.418 1.00 0.59 C ATOM 135 O ASP A 9 0.571 -4.091 11.574 1.00 0.61 O ATOM 136 CB ASP A 9 -0.071 -6.873 12.390 1.00 0.65 C ATOM 137 CG ASP A 9 -0.956 -6.762 13.632 1.00 1.20 C ATOM 138 OD1 ASP A 9 -1.251 -5.610 14.018 1.00 2.51 O ATOM 139 OD2 ASP A 9 -1.318 -7.831 14.168 1.00 2.10 O ATOM 0 H ASP A 9 1.181 -6.636 10.162 1.00 0.58 H new ATOM 0 HA ASP A 9 -1.627 -6.456 10.960 1.00 0.59 H new ATOM 0 HB2 ASP A 9 0.056 -7.928 12.146 1.00 0.65 H new ATOM 0 HB3 ASP A 9 0.917 -6.480 12.630 1.00 0.65 H new ATOM 144 N ILE A 10 -1.686 -4.016 11.462 1.00 0.77 N ATOM 145 CA ILE A 10 -1.763 -2.588 11.719 1.00 0.81 C ATOM 146 C ILE A 10 -2.027 -2.356 13.208 1.00 0.88 C ATOM 147 O ILE A 10 -3.034 -2.817 13.742 1.00 1.19 O ATOM 148 CB ILE A 10 -2.796 -1.932 10.802 1.00 0.92 C ATOM 149 CG1 ILE A 10 -2.269 -1.825 9.370 1.00 1.15 C ATOM 150 CG2 ILE A 10 -3.236 -0.574 11.354 1.00 0.95 C ATOM 151 CD1 ILE A 10 -2.254 -3.194 8.687 1.00 1.18 C ATOM 0 H ILE A 10 -2.587 -4.473 11.324 1.00 0.77 H new ATOM 0 HA ILE A 10 -0.813 -2.108 11.484 1.00 0.81 H new ATOM 0 HB ILE A 10 -3.680 -2.569 10.773 1.00 0.92 H new ATOM 0 HG12 ILE A 10 -2.893 -1.137 8.800 1.00 1.15 H new ATOM 0 HG13 ILE A 10 -1.262 -1.408 9.380 1.00 1.15 H new ATOM 0 HG21 ILE A 10 -3.971 -0.129 10.683 1.00 0.95 H new ATOM 0 HG22 ILE A 10 -3.680 -0.709 12.340 1.00 0.95 H new ATOM 0 HG23 ILE A 10 -2.371 0.084 11.433 1.00 0.95 H new ATOM 0 HD11 ILE A 10 -1.875 -3.089 7.670 1.00 1.18 H new ATOM 0 HD12 ILE A 10 -1.610 -3.873 9.246 1.00 1.18 H new ATOM 0 HD13 ILE A 10 -3.266 -3.597 8.657 1.00 1.18 H new ATOM 163 N ALA A 11 -1.104 -1.641 13.836 1.00 0.75 N ATOM 164 CA ALA A 11 -1.234 -1.328 15.249 1.00 0.82 C ATOM 165 C ALA A 11 -1.374 0.186 15.421 1.00 0.77 C ATOM 166 O ALA A 11 -0.512 0.946 14.981 1.00 0.81 O ATOM 167 CB ALA A 11 -0.033 -1.893 16.010 1.00 0.92 C ATOM 0 H ALA A 11 -0.264 -1.270 13.392 1.00 0.75 H new ATOM 0 HA ALA A 11 -2.129 -1.791 15.664 1.00 0.82 H new ATOM 0 HB1 ALA A 11 -0.131 -1.658 17.070 1.00 0.92 H new ATOM 0 HB2 ALA A 11 0.004 -2.975 15.880 1.00 0.92 H new ATOM 0 HB3 ALA A 11 0.884 -1.449 15.623 1.00 0.92 H new ATOM 173 N VAL A 12 -2.465 0.578 16.060 1.00 0.79 N ATOM 174 CA VAL A 12 -2.735 1.989 16.284 1.00 0.83 C ATOM 175 C VAL A 12 -2.238 2.385 17.677 1.00 0.92 C ATOM 176 O VAL A 12 -2.934 2.177 18.669 1.00 0.99 O ATOM 177 CB VAL A 12 -4.222 2.277 16.076 1.00 0.84 C ATOM 178 CG1 VAL A 12 -4.506 3.778 16.153 1.00 1.02 C ATOM 179 CG2 VAL A 12 -4.714 1.693 14.750 1.00 0.76 C ATOM 0 H VAL A 12 -3.173 -0.056 16.430 1.00 0.79 H new ATOM 0 HA VAL A 12 -2.195 2.600 15.561 1.00 0.83 H new ATOM 0 HB VAL A 12 -4.773 1.790 16.881 1.00 0.84 H new ATOM 0 HG11 VAL A 12 -5.571 3.955 16.002 1.00 1.02 H new ATOM 0 HG12 VAL A 12 -4.211 4.154 17.133 1.00 1.02 H new ATOM 0 HG13 VAL A 12 -3.939 4.296 15.380 1.00 1.02 H new ATOM 0 HG21 VAL A 12 -5.775 1.912 14.627 1.00 0.76 H new ATOM 0 HG22 VAL A 12 -4.154 2.137 13.927 1.00 0.76 H new ATOM 0 HG23 VAL A 12 -4.564 0.613 14.750 1.00 0.76 H new ATOM 189 N ASP A 13 -1.039 2.948 17.705 1.00 0.98 N ATOM 190 CA ASP A 13 -0.473 3.440 18.949 1.00 1.10 C ATOM 191 C ASP A 13 -0.344 2.280 19.939 1.00 1.19 C ATOM 192 O ASP A 13 -1.171 2.133 20.839 1.00 1.24 O ATOM 193 CB ASP A 13 -1.371 4.504 19.582 1.00 1.12 C ATOM 194 CG ASP A 13 -2.058 5.444 18.588 1.00 1.44 C ATOM 195 OD1 ASP A 13 -1.466 5.658 17.509 1.00 2.54 O ATOM 196 OD2 ASP A 13 -3.159 5.925 18.931 1.00 1.97 O ATOM 0 H ASP A 13 -0.444 3.074 16.886 1.00 0.98 H new ATOM 0 HA ASP A 13 0.500 3.877 18.726 1.00 1.10 H new ATOM 0 HB2 ASP A 13 -2.137 4.005 20.176 1.00 1.12 H new ATOM 0 HB3 ASP A 13 -0.772 5.101 20.270 1.00 1.12 H new ATOM 201 N GLY A 14 0.697 1.486 19.740 1.00 1.26 N ATOM 202 CA GLY A 14 0.986 0.388 20.647 1.00 1.40 C ATOM 203 C GLY A 14 -0.277 -0.423 20.946 1.00 1.35 C ATOM 204 O GLY A 14 -0.480 -0.868 22.073 1.00 1.50 O ATOM 0 H GLY A 14 1.351 1.581 18.963 1.00 1.26 H new ATOM 0 HA2 GLY A 14 1.744 -0.261 20.208 1.00 1.40 H new ATOM 0 HA3 GLY A 14 1.400 0.779 21.576 1.00 1.40 H new ATOM 208 N GLU A 15 -1.092 -0.589 19.915 1.00 1.17 N ATOM 209 CA GLU A 15 -2.302 -1.383 20.039 1.00 1.15 C ATOM 210 C GLU A 15 -2.636 -2.055 18.704 1.00 1.00 C ATOM 211 O GLU A 15 -2.888 -1.376 17.710 1.00 0.98 O ATOM 212 CB GLU A 15 -3.472 -0.528 20.529 1.00 1.18 C ATOM 213 CG GLU A 15 -4.609 -1.405 21.058 1.00 1.30 C ATOM 214 CD GLU A 15 -4.341 -1.837 22.502 1.00 2.33 C ATOM 215 OE1 GLU A 15 -4.747 -1.077 23.406 1.00 3.08 O ATOM 216 OE2 GLU A 15 -3.736 -2.919 22.667 1.00 3.56 O ATOM 0 H GLU A 15 -0.938 -0.187 18.990 1.00 1.17 H new ATOM 0 HA GLU A 15 -2.127 -2.161 20.782 1.00 1.15 H new ATOM 0 HB2 GLU A 15 -3.131 0.145 21.316 1.00 1.18 H new ATOM 0 HB3 GLU A 15 -3.838 0.095 19.713 1.00 1.18 H new ATOM 0 HG2 GLU A 15 -5.550 -0.857 21.007 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -4.718 -2.286 20.425 1.00 1.30 H new ATOM 223 N PRO A 16 -2.626 -3.414 18.727 1.00 0.93 N ATOM 224 CA PRO A 16 -2.863 -4.185 17.517 1.00 0.83 C ATOM 225 C PRO A 16 -4.345 -4.167 17.138 1.00 0.79 C ATOM 226 O PRO A 16 -5.185 -4.669 17.883 1.00 0.81 O ATOM 227 CB PRO A 16 -2.346 -5.579 17.831 1.00 0.83 C ATOM 228 CG PRO A 16 -2.267 -5.662 19.347 1.00 0.90 C ATOM 229 CD PRO A 16 -2.389 -4.252 19.899 1.00 0.97 C ATOM 0 HA PRO A 16 -2.351 -3.772 16.648 1.00 0.83 H new ATOM 0 HB2 PRO A 16 -3.014 -6.342 17.432 1.00 0.83 H new ATOM 0 HB3 PRO A 16 -1.368 -5.744 17.379 1.00 0.83 H new ATOM 0 HG2 PRO A 16 -3.065 -6.295 19.737 1.00 0.90 H new ATOM 0 HG3 PRO A 16 -1.324 -6.112 19.656 1.00 0.90 H new ATOM 0 HD2 PRO A 16 -3.209 -4.176 20.613 1.00 0.97 H new ATOM 0 HD3 PRO A 16 -1.482 -3.952 20.423 1.00 0.97 H new ATOM 237 N LEU A 17 -4.620 -3.584 15.981 1.00 0.79 N ATOM 238 CA LEU A 17 -5.991 -3.444 15.520 1.00 0.82 C ATOM 239 C LEU A 17 -6.449 -4.759 14.887 1.00 0.77 C ATOM 240 O LEU A 17 -7.574 -5.203 15.114 1.00 0.84 O ATOM 241 CB LEU A 17 -6.123 -2.235 14.591 1.00 0.91 C ATOM 242 CG LEU A 17 -7.499 -1.567 14.552 1.00 0.69 C ATOM 243 CD1 LEU A 17 -7.796 -0.847 15.868 1.00 1.46 C ATOM 244 CD2 LEU A 17 -7.620 -0.632 13.347 1.00 2.07 C ATOM 0 H LEU A 17 -3.916 -3.203 15.348 1.00 0.79 H new ATOM 0 HA LEU A 17 -6.657 -3.246 16.360 1.00 0.82 H new ATOM 0 HB2 LEU A 17 -5.387 -1.489 14.891 1.00 0.91 H new ATOM 0 HB3 LEU A 17 -5.864 -2.549 13.580 1.00 0.91 H new ATOM 0 HG LEU A 17 -8.253 -2.345 14.433 1.00 0.69 H new ATOM 0 HD11 LEU A 17 -8.780 -0.381 15.814 1.00 1.46 H new ATOM 0 HD12 LEU A 17 -7.780 -1.565 16.688 1.00 1.46 H new ATOM 0 HD13 LEU A 17 -7.041 -0.081 16.042 1.00 1.46 H new ATOM 0 HD21 LEU A 17 -8.607 -0.170 13.343 1.00 2.07 H new ATOM 0 HD22 LEU A 17 -6.857 0.144 13.410 1.00 2.07 H new ATOM 0 HD23 LEU A 17 -7.482 -1.203 12.429 1.00 2.07 H new ATOM 256 N GLY A 18 -5.553 -5.347 14.107 1.00 0.73 N ATOM 257 CA GLY A 18 -5.829 -6.632 13.489 1.00 0.75 C ATOM 258 C GLY A 18 -5.023 -6.806 12.200 1.00 0.76 C ATOM 259 O GLY A 18 -4.338 -5.882 11.763 1.00 0.97 O ATOM 0 H GLY A 18 -4.636 -4.957 13.889 1.00 0.73 H new ATOM 0 HA2 GLY A 18 -5.585 -7.434 14.185 1.00 0.75 H new ATOM 0 HA3 GLY A 18 -6.894 -6.713 13.270 1.00 0.75 H new ATOM 263 N ARG A 19 -5.131 -7.996 11.628 1.00 0.73 N ATOM 264 CA ARG A 19 -4.393 -8.314 10.417 1.00 0.79 C ATOM 265 C ARG A 19 -5.340 -8.363 9.216 1.00 0.71 C ATOM 266 O ARG A 19 -6.408 -8.969 9.288 1.00 0.78 O ATOM 267 CB ARG A 19 -3.674 -9.657 10.547 1.00 0.97 C ATOM 268 CG ARG A 19 -2.310 -9.487 11.217 1.00 1.35 C ATOM 269 CD ARG A 19 -1.907 -10.755 11.972 1.00 1.84 C ATOM 270 NE ARG A 19 -1.107 -10.402 13.166 1.00 2.87 N ATOM 271 CZ ARG A 19 0.216 -10.193 13.148 1.00 3.92 C ATOM 272 NH1 ARG A 19 0.890 -10.255 11.991 1.00 4.53 N ATOM 273 NH2 ARG A 19 0.867 -9.923 14.288 1.00 5.07 N ATOM 0 H ARG A 19 -5.718 -8.752 11.980 1.00 0.73 H new ATOM 0 HA ARG A 19 -3.650 -7.531 10.266 1.00 0.79 H new ATOM 0 HB2 ARG A 19 -4.286 -10.346 11.130 1.00 0.97 H new ATOM 0 HB3 ARG A 19 -3.545 -10.101 9.560 1.00 0.97 H new ATOM 0 HG2 ARG A 19 -1.558 -9.254 10.464 1.00 1.35 H new ATOM 0 HG3 ARG A 19 -2.343 -8.644 11.907 1.00 1.35 H new ATOM 0 HD2 ARG A 19 -2.797 -11.308 12.271 1.00 1.84 H new ATOM 0 HD3 ARG A 19 -1.330 -11.409 11.318 1.00 1.84 H new ATOM 0 HE ARG A 19 -1.593 -10.312 14.058 1.00 2.87 H new ATOM 0 HH11 ARG A 19 0.395 -10.461 11.123 1.00 4.53 H new ATOM 0 HH12 ARG A 19 1.897 -10.096 11.978 1.00 4.53 H new ATOM 0 HH21 ARG A 19 0.355 -9.877 15.169 1.00 5.07 H new ATOM 0 HH22 ARG A 19 1.874 -9.764 14.275 1.00 5.07 H new ATOM 287 N VAL A 20 -4.915 -7.717 8.141 1.00 0.90 N ATOM 288 CA VAL A 20 -5.768 -7.559 6.975 1.00 1.05 C ATOM 289 C VAL A 20 -5.569 -8.751 6.037 1.00 1.49 C ATOM 290 O VAL A 20 -6.515 -9.482 5.746 1.00 3.41 O ATOM 291 CB VAL A 20 -5.491 -6.214 6.301 1.00 1.02 C ATOM 292 CG1 VAL A 20 -6.180 -6.132 4.937 1.00 1.10 C ATOM 293 CG2 VAL A 20 -5.916 -5.052 7.201 1.00 1.11 C ATOM 0 H VAL A 20 -3.990 -7.296 8.052 1.00 0.90 H new ATOM 0 HA VAL A 20 -6.818 -7.549 7.269 1.00 1.05 H new ATOM 0 HB VAL A 20 -4.416 -6.136 6.138 1.00 1.02 H new ATOM 0 HG11 VAL A 20 -5.967 -5.166 4.479 1.00 1.10 H new ATOM 0 HG12 VAL A 20 -5.808 -6.929 4.293 1.00 1.10 H new ATOM 0 HG13 VAL A 20 -7.257 -6.243 5.066 1.00 1.10 H new ATOM 0 HG21 VAL A 20 -5.708 -4.107 6.698 1.00 1.11 H new ATOM 0 HG22 VAL A 20 -6.983 -5.125 7.410 1.00 1.11 H new ATOM 0 HG23 VAL A 20 -5.360 -5.095 8.137 1.00 1.11 H new ATOM 303 N SER A 21 -4.332 -8.910 5.589 1.00 0.70 N ATOM 304 CA SER A 21 -4.003 -9.982 4.665 1.00 0.59 C ATOM 305 C SER A 21 -4.464 -9.614 3.253 1.00 0.56 C ATOM 306 O SER A 21 -5.642 -9.333 3.034 1.00 0.73 O ATOM 307 CB SER A 21 -4.638 -11.302 5.103 1.00 0.77 C ATOM 308 OG SER A 21 -4.817 -11.366 6.516 1.00 1.71 O ATOM 0 H SER A 21 -3.546 -8.314 5.849 1.00 0.70 H new ATOM 0 HA SER A 21 -2.921 -10.114 4.665 1.00 0.59 H new ATOM 0 HB2 SER A 21 -5.603 -11.421 4.610 1.00 0.77 H new ATOM 0 HB3 SER A 21 -4.009 -12.132 4.779 1.00 0.77 H new ATOM 0 HG SER A 21 -5.227 -12.224 6.755 1.00 1.71 H new ATOM 314 N PHE A 22 -3.513 -9.629 2.331 1.00 0.53 N ATOM 315 CA PHE A 22 -3.792 -9.239 0.960 1.00 0.57 C ATOM 316 C PHE A 22 -3.334 -10.321 -0.021 1.00 0.56 C ATOM 317 O PHE A 22 -2.287 -10.935 0.171 1.00 0.71 O ATOM 318 CB PHE A 22 -3.005 -7.955 0.690 1.00 0.69 C ATOM 319 CG PHE A 22 -3.178 -6.882 1.765 1.00 0.69 C ATOM 320 CD1 PHE A 22 -2.423 -6.923 2.896 1.00 1.96 C ATOM 321 CD2 PHE A 22 -4.087 -5.884 1.591 1.00 2.11 C ATOM 322 CE1 PHE A 22 -2.584 -5.927 3.894 1.00 2.13 C ATOM 323 CE2 PHE A 22 -4.247 -4.887 2.589 1.00 2.03 C ATOM 324 CZ PHE A 22 -3.492 -4.929 3.720 1.00 0.91 C ATOM 0 H PHE A 22 -2.547 -9.906 2.507 1.00 0.53 H new ATOM 0 HA PHE A 22 -4.864 -9.094 0.825 1.00 0.57 H new ATOM 0 HB2 PHE A 22 -1.947 -8.201 0.604 1.00 0.69 H new ATOM 0 HB3 PHE A 22 -3.316 -7.545 -0.271 1.00 0.69 H new ATOM 0 HD1 PHE A 22 -1.701 -7.714 3.034 1.00 1.96 H new ATOM 0 HD2 PHE A 22 -4.687 -5.851 0.693 1.00 2.11 H new ATOM 0 HE1 PHE A 22 -1.985 -5.961 4.792 1.00 2.13 H new ATOM 0 HE2 PHE A 22 -4.968 -4.095 2.450 1.00 2.03 H new ATOM 0 HZ PHE A 22 -3.613 -4.171 4.479 1.00 0.91 H new ATOM 334 N GLU A 23 -4.142 -10.519 -1.053 1.00 0.58 N ATOM 335 CA GLU A 23 -3.794 -11.457 -2.106 1.00 0.62 C ATOM 336 C GLU A 23 -3.010 -10.746 -3.211 1.00 0.78 C ATOM 337 O GLU A 23 -3.244 -9.570 -3.485 1.00 1.70 O ATOM 338 CB GLU A 23 -5.043 -12.137 -2.670 1.00 0.76 C ATOM 339 CG GLU A 23 -5.914 -12.703 -1.546 1.00 1.54 C ATOM 340 CD GLU A 23 -7.227 -13.261 -2.099 1.00 1.69 C ATOM 341 OE1 GLU A 23 -7.149 -14.017 -3.090 1.00 1.97 O ATOM 342 OE2 GLU A 23 -8.278 -12.917 -1.517 1.00 2.49 O ATOM 0 H GLU A 23 -5.036 -10.046 -1.182 1.00 0.58 H new ATOM 0 HA GLU A 23 -3.160 -12.234 -1.679 1.00 0.62 H new ATOM 0 HB2 GLU A 23 -5.619 -11.420 -3.255 1.00 0.76 H new ATOM 0 HB3 GLU A 23 -4.750 -12.939 -3.347 1.00 0.76 H new ATOM 0 HG2 GLU A 23 -5.372 -13.490 -1.022 1.00 1.54 H new ATOM 0 HG3 GLU A 23 -6.125 -11.922 -0.816 1.00 1.54 H new ATOM 349 N LEU A 24 -2.096 -11.489 -3.817 1.00 0.76 N ATOM 350 CA LEU A 24 -1.243 -10.933 -4.853 1.00 0.75 C ATOM 351 C LEU A 24 -1.299 -11.829 -6.091 1.00 0.75 C ATOM 352 O LEU A 24 -1.033 -13.027 -6.007 1.00 0.97 O ATOM 353 CB LEU A 24 0.173 -10.709 -4.318 1.00 0.84 C ATOM 354 CG LEU A 24 0.343 -9.556 -3.327 1.00 1.05 C ATOM 355 CD1 LEU A 24 1.584 -9.759 -2.456 1.00 1.74 C ATOM 356 CD2 LEU A 24 0.365 -8.209 -4.051 1.00 2.24 C ATOM 0 H LEU A 24 -1.927 -12.473 -3.610 1.00 0.76 H new ATOM 0 HA LEU A 24 -1.604 -9.950 -5.156 1.00 0.75 H new ATOM 0 HB2 LEU A 24 0.507 -11.628 -3.836 1.00 0.84 H new ATOM 0 HB3 LEU A 24 0.836 -10.534 -5.165 1.00 0.84 H new ATOM 0 HG LEU A 24 -0.520 -9.549 -2.661 1.00 1.05 H new ATOM 0 HD11 LEU A 24 1.681 -8.925 -1.761 1.00 1.74 H new ATOM 0 HD12 LEU A 24 1.487 -10.689 -1.896 1.00 1.74 H new ATOM 0 HD13 LEU A 24 2.469 -9.808 -3.090 1.00 1.74 H new ATOM 0 HD21 LEU A 24 0.487 -7.407 -3.323 1.00 2.24 H new ATOM 0 HD22 LEU A 24 1.196 -8.189 -4.756 1.00 2.24 H new ATOM 0 HD23 LEU A 24 -0.572 -8.070 -4.590 1.00 2.24 H new ATOM 368 N PHE A 25 -1.647 -11.214 -7.213 1.00 0.74 N ATOM 369 CA PHE A 25 -1.714 -11.936 -8.472 1.00 0.75 C ATOM 370 C PHE A 25 -0.323 -12.088 -9.091 1.00 0.78 C ATOM 371 O PHE A 25 -0.036 -11.503 -10.134 1.00 0.98 O ATOM 372 CB PHE A 25 -2.591 -11.111 -9.415 1.00 0.84 C ATOM 373 CG PHE A 25 -4.076 -11.112 -9.043 1.00 0.90 C ATOM 374 CD1 PHE A 25 -4.857 -12.177 -9.369 1.00 2.11 C ATOM 375 CD2 PHE A 25 -4.615 -10.049 -8.388 1.00 1.48 C ATOM 376 CE1 PHE A 25 -6.235 -12.178 -9.025 1.00 2.24 C ATOM 377 CE2 PHE A 25 -5.992 -10.051 -8.045 1.00 1.56 C ATOM 378 CZ PHE A 25 -6.773 -11.116 -8.370 1.00 1.28 C ATOM 0 H PHE A 25 -1.885 -10.224 -7.276 1.00 0.74 H new ATOM 0 HA PHE A 25 -2.121 -12.934 -8.307 1.00 0.75 H new ATOM 0 HB2 PHE A 25 -2.230 -10.083 -9.424 1.00 0.84 H new ATOM 0 HB3 PHE A 25 -2.480 -11.497 -10.428 1.00 0.84 H new ATOM 0 HD1 PHE A 25 -4.429 -13.021 -9.889 1.00 2.11 H new ATOM 0 HD2 PHE A 25 -3.995 -9.203 -8.129 1.00 1.48 H new ATOM 0 HE1 PHE A 25 -6.855 -13.023 -9.284 1.00 2.24 H new ATOM 0 HE2 PHE A 25 -6.420 -9.206 -7.526 1.00 1.56 H new ATOM 0 HZ PHE A 25 -7.821 -11.118 -8.108 1.00 1.28 H new ATOM 388 N ALA A 26 0.504 -12.878 -8.423 1.00 0.70 N ATOM 389 CA ALA A 26 1.872 -13.080 -8.870 1.00 0.81 C ATOM 390 C ALA A 26 1.861 -13.784 -10.229 1.00 0.90 C ATOM 391 O ALA A 26 2.794 -13.637 -11.016 1.00 1.01 O ATOM 392 CB ALA A 26 2.645 -13.868 -7.811 1.00 0.93 C ATOM 0 H ALA A 26 0.253 -13.386 -7.575 1.00 0.70 H new ATOM 0 HA ALA A 26 2.379 -12.124 -8.998 1.00 0.81 H new ATOM 0 HB1 ALA A 26 3.671 -14.019 -8.147 1.00 0.93 H new ATOM 0 HB2 ALA A 26 2.648 -13.312 -6.874 1.00 0.93 H new ATOM 0 HB3 ALA A 26 2.167 -14.836 -7.657 1.00 0.93 H new ATOM 398 N ASP A 27 0.794 -14.534 -10.461 1.00 1.05 N ATOM 399 CA ASP A 27 0.639 -15.245 -11.719 1.00 1.15 C ATOM 400 C ASP A 27 0.706 -14.246 -12.876 1.00 1.23 C ATOM 401 O ASP A 27 1.196 -14.574 -13.956 1.00 1.63 O ATOM 402 CB ASP A 27 -0.714 -15.956 -11.786 1.00 1.20 C ATOM 403 CG ASP A 27 -0.983 -16.714 -13.088 1.00 1.45 C ATOM 404 OD1 ASP A 27 -0.153 -17.590 -13.416 1.00 2.85 O ATOM 405 OD2 ASP A 27 -2.011 -16.400 -13.725 1.00 1.68 O ATOM 0 H ASP A 27 0.029 -14.665 -9.800 1.00 1.05 H new ATOM 0 HA ASP A 27 1.438 -15.983 -11.790 1.00 1.15 H new ATOM 0 HB2 ASP A 27 -0.780 -16.658 -10.954 1.00 1.20 H new ATOM 0 HB3 ASP A 27 -1.503 -15.218 -11.644 1.00 1.20 H new ATOM 410 N LYS A 28 0.205 -13.049 -12.612 1.00 1.16 N ATOM 411 CA LYS A 28 0.169 -12.011 -13.629 1.00 1.27 C ATOM 412 C LYS A 28 1.449 -11.177 -13.545 1.00 1.40 C ATOM 413 O LYS A 28 2.048 -10.849 -14.568 1.00 1.67 O ATOM 414 CB LYS A 28 -1.113 -11.186 -13.507 1.00 1.36 C ATOM 415 CG LYS A 28 -2.282 -11.882 -14.207 1.00 1.35 C ATOM 416 CD LYS A 28 -2.617 -13.209 -13.523 1.00 2.70 C ATOM 417 CE LYS A 28 -4.032 -13.668 -13.882 1.00 2.78 C ATOM 418 NZ LYS A 28 -4.235 -15.080 -13.486 1.00 4.07 N ATOM 0 H LYS A 28 -0.180 -12.774 -11.708 1.00 1.16 H new ATOM 0 HA LYS A 28 0.141 -12.453 -14.625 1.00 1.27 H new ATOM 0 HB2 LYS A 28 -1.353 -11.034 -12.455 1.00 1.36 H new ATOM 0 HB3 LYS A 28 -0.958 -10.200 -13.944 1.00 1.36 H new ATOM 0 HG2 LYS A 28 -3.157 -11.232 -14.196 1.00 1.35 H new ATOM 0 HG3 LYS A 28 -2.031 -12.061 -15.252 1.00 1.35 H new ATOM 0 HD2 LYS A 28 -1.897 -13.970 -13.824 1.00 2.70 H new ATOM 0 HD3 LYS A 28 -2.530 -13.097 -12.442 1.00 2.70 H new ATOM 0 HE2 LYS A 28 -4.764 -13.035 -13.381 1.00 2.78 H new ATOM 0 HE3 LYS A 28 -4.196 -13.558 -14.954 1.00 2.78 H new ATOM 0 HZ1 LYS A 28 -4.810 -15.563 -14.206 1.00 4.07 H new ATOM 0 HZ2 LYS A 28 -3.313 -15.554 -13.404 1.00 4.07 H new ATOM 0 HZ3 LYS A 28 -4.725 -15.116 -12.570 1.00 4.07 H new ATOM 432 N VAL A 29 1.830 -10.857 -12.317 1.00 1.27 N ATOM 433 CA VAL A 29 2.891 -9.892 -12.090 1.00 1.29 C ATOM 434 C VAL A 29 3.784 -10.381 -10.947 1.00 1.28 C ATOM 435 O VAL A 29 3.671 -9.904 -9.819 1.00 1.15 O ATOM 436 CB VAL A 29 2.294 -8.508 -11.832 1.00 1.19 C ATOM 437 CG1 VAL A 29 1.644 -7.946 -13.097 1.00 1.27 C ATOM 438 CG2 VAL A 29 1.293 -8.550 -10.675 1.00 1.33 C ATOM 0 H VAL A 29 1.422 -11.250 -11.469 1.00 1.27 H new ATOM 0 HA VAL A 29 3.519 -9.800 -12.976 1.00 1.29 H new ATOM 0 HB VAL A 29 3.108 -7.840 -11.548 1.00 1.19 H new ATOM 0 HG11 VAL A 29 1.228 -6.961 -12.885 1.00 1.27 H new ATOM 0 HG12 VAL A 29 2.393 -7.862 -13.884 1.00 1.27 H new ATOM 0 HG13 VAL A 29 0.847 -8.614 -13.424 1.00 1.27 H new ATOM 0 HG21 VAL A 29 0.883 -7.553 -10.512 1.00 1.33 H new ATOM 0 HG22 VAL A 29 0.485 -9.240 -10.918 1.00 1.33 H new ATOM 0 HG23 VAL A 29 1.797 -8.887 -9.770 1.00 1.33 H new ATOM 448 N PRO A 30 4.674 -11.351 -11.287 1.00 1.48 N ATOM 449 CA PRO A 30 5.553 -11.943 -10.293 1.00 1.63 C ATOM 450 C PRO A 30 6.687 -10.985 -9.924 1.00 1.83 C ATOM 451 O PRO A 30 7.368 -11.181 -8.919 1.00 3.01 O ATOM 452 CB PRO A 30 6.048 -13.235 -10.923 1.00 1.83 C ATOM 453 CG PRO A 30 5.801 -13.090 -12.417 1.00 1.87 C ATOM 454 CD PRO A 30 4.866 -11.910 -12.623 1.00 1.66 C ATOM 0 HA PRO A 30 5.045 -12.145 -9.350 1.00 1.63 H new ATOM 0 HB2 PRO A 30 7.107 -13.391 -10.715 1.00 1.83 H new ATOM 0 HB3 PRO A 30 5.514 -14.096 -10.520 1.00 1.83 H new ATOM 0 HG2 PRO A 30 6.741 -12.929 -12.945 1.00 1.87 H new ATOM 0 HG3 PRO A 30 5.360 -14.001 -12.821 1.00 1.87 H new ATOM 0 HD2 PRO A 30 5.300 -11.175 -13.301 1.00 1.66 H new ATOM 0 HD3 PRO A 30 3.919 -12.227 -13.060 1.00 1.66 H new ATOM 462 N LYS A 31 6.855 -9.969 -10.758 1.00 1.11 N ATOM 463 CA LYS A 31 7.897 -8.981 -10.534 1.00 1.14 C ATOM 464 C LYS A 31 7.380 -7.909 -9.571 1.00 1.00 C ATOM 465 O LYS A 31 8.101 -7.478 -8.673 1.00 1.01 O ATOM 466 CB LYS A 31 8.398 -8.421 -11.866 1.00 1.28 C ATOM 467 CG LYS A 31 9.154 -9.488 -12.661 1.00 2.56 C ATOM 468 CD LYS A 31 10.483 -9.834 -11.987 1.00 3.89 C ATOM 469 CE LYS A 31 10.422 -11.215 -11.330 1.00 5.57 C ATOM 470 NZ LYS A 31 11.344 -11.279 -10.173 1.00 7.08 N ATOM 0 H LYS A 31 6.287 -9.809 -11.590 1.00 1.11 H new ATOM 0 HA LYS A 31 8.764 -9.442 -10.062 1.00 1.14 H new ATOM 0 HB2 LYS A 31 7.554 -8.056 -12.452 1.00 1.28 H new ATOM 0 HB3 LYS A 31 9.051 -7.568 -11.683 1.00 1.28 H new ATOM 0 HG2 LYS A 31 8.541 -10.385 -12.747 1.00 2.56 H new ATOM 0 HG3 LYS A 31 9.338 -9.130 -13.674 1.00 2.56 H new ATOM 0 HD2 LYS A 31 11.285 -9.814 -12.725 1.00 3.89 H new ATOM 0 HD3 LYS A 31 10.721 -9.080 -11.236 1.00 3.89 H new ATOM 0 HE2 LYS A 31 9.403 -11.424 -11.003 1.00 5.57 H new ATOM 0 HE3 LYS A 31 10.687 -11.982 -12.057 1.00 5.57 H new ATOM 0 HZ1 LYS A 31 11.182 -12.162 -9.648 1.00 7.08 H new ATOM 0 HZ2 LYS A 31 12.327 -11.253 -10.511 1.00 7.08 H new ATOM 0 HZ3 LYS A 31 11.171 -10.467 -9.546 1.00 7.08 H new ATOM 484 N THR A 32 6.135 -7.512 -9.791 1.00 0.97 N ATOM 485 CA THR A 32 5.520 -6.488 -8.966 1.00 0.87 C ATOM 486 C THR A 32 5.220 -7.039 -7.570 1.00 0.76 C ATOM 487 O THR A 32 5.330 -6.319 -6.578 1.00 0.74 O ATOM 488 CB THR A 32 4.278 -5.974 -9.696 1.00 0.97 C ATOM 489 OG1 THR A 32 4.641 -6.021 -11.073 1.00 1.28 O ATOM 490 CG2 THR A 32 4.014 -4.491 -9.430 1.00 0.92 C ATOM 0 H THR A 32 5.536 -7.882 -10.529 1.00 0.97 H new ATOM 0 HA THR A 32 6.195 -5.646 -8.812 1.00 0.87 H new ATOM 0 HB THR A 32 3.410 -6.557 -9.390 1.00 0.97 H new ATOM 0 HG1 THR A 32 3.891 -5.706 -11.620 1.00 1.28 H new ATOM 0 HG21 THR A 32 3.122 -4.177 -9.972 1.00 0.92 H new ATOM 0 HG22 THR A 32 3.864 -4.334 -8.362 1.00 0.92 H new ATOM 0 HG23 THR A 32 4.868 -3.903 -9.767 1.00 0.92 H new ATOM 498 N ALA A 33 4.846 -8.309 -7.537 1.00 0.83 N ATOM 499 CA ALA A 33 4.543 -8.969 -6.278 1.00 0.83 C ATOM 500 C ALA A 33 5.833 -9.134 -5.472 1.00 0.82 C ATOM 501 O ALA A 33 5.809 -9.100 -4.242 1.00 0.85 O ATOM 502 CB ALA A 33 3.853 -10.305 -6.555 1.00 0.98 C ATOM 0 H ALA A 33 4.746 -8.900 -8.363 1.00 0.83 H new ATOM 0 HA ALA A 33 3.857 -8.366 -5.683 1.00 0.83 H new ATOM 0 HB1 ALA A 33 3.626 -10.800 -5.611 1.00 0.98 H new ATOM 0 HB2 ALA A 33 2.928 -10.130 -7.105 1.00 0.98 H new ATOM 0 HB3 ALA A 33 4.512 -10.939 -7.147 1.00 0.98 H new ATOM 508 N GLU A 34 6.928 -9.311 -6.196 1.00 0.84 N ATOM 509 CA GLU A 34 8.220 -9.512 -5.563 1.00 0.92 C ATOM 510 C GLU A 34 8.464 -8.439 -4.500 1.00 0.98 C ATOM 511 O GLU A 34 8.988 -8.731 -3.427 1.00 0.98 O ATOM 512 CB GLU A 34 9.344 -9.522 -6.601 1.00 1.14 C ATOM 513 CG GLU A 34 10.587 -10.229 -6.056 1.00 1.21 C ATOM 514 CD GLU A 34 11.828 -9.866 -6.875 1.00 2.52 C ATOM 515 OE1 GLU A 34 11.672 -9.722 -8.107 1.00 3.39 O ATOM 516 OE2 GLU A 34 12.902 -9.739 -6.251 1.00 3.65 O ATOM 0 H GLU A 34 6.947 -9.319 -7.216 1.00 0.84 H new ATOM 0 HA GLU A 34 8.214 -10.486 -5.073 1.00 0.92 H new ATOM 0 HB2 GLU A 34 9.003 -10.024 -7.506 1.00 1.14 H new ATOM 0 HB3 GLU A 34 9.596 -8.499 -6.879 1.00 1.14 H new ATOM 0 HG2 GLU A 34 10.741 -9.950 -5.014 1.00 1.21 H new ATOM 0 HG3 GLU A 34 10.435 -11.308 -6.078 1.00 1.21 H new ATOM 523 N ASN A 35 8.071 -7.219 -4.837 1.00 1.19 N ATOM 524 CA ASN A 35 8.223 -6.104 -3.917 1.00 1.48 C ATOM 525 C ASN A 35 7.598 -6.471 -2.569 1.00 1.59 C ATOM 526 O ASN A 35 8.289 -6.519 -1.553 1.00 2.16 O ATOM 527 CB ASN A 35 7.513 -4.855 -4.444 1.00 1.97 C ATOM 528 CG ASN A 35 8.215 -4.308 -5.687 1.00 1.88 C ATOM 529 OD1 ASN A 35 9.327 -3.808 -5.634 1.00 2.27 O ATOM 530 ND2 ASN A 35 7.507 -4.429 -6.806 1.00 2.88 N ATOM 0 H ASN A 35 7.648 -6.978 -5.733 1.00 1.19 H new ATOM 0 HA ASN A 35 9.288 -5.896 -3.812 1.00 1.48 H new ATOM 0 HB2 ASN A 35 6.477 -5.095 -4.683 1.00 1.97 H new ATOM 0 HB3 ASN A 35 7.492 -4.090 -3.668 1.00 1.97 H new ATOM 0 HD21 ASN A 35 7.889 -4.093 -7.690 1.00 2.88 H new ATOM 0 HD22 ASN A 35 6.582 -4.858 -6.780 1.00 2.88 H new ATOM 537 N PHE A 36 6.298 -6.722 -2.605 1.00 1.45 N ATOM 538 CA PHE A 36 5.563 -7.040 -1.393 1.00 1.65 C ATOM 539 C PHE A 36 6.159 -8.266 -0.697 1.00 1.41 C ATOM 540 O PHE A 36 6.272 -8.295 0.527 1.00 1.58 O ATOM 541 CB PHE A 36 4.125 -7.355 -1.810 1.00 1.93 C ATOM 542 CG PHE A 36 3.291 -6.118 -2.151 1.00 1.53 C ATOM 543 CD1 PHE A 36 2.709 -5.396 -1.157 1.00 2.33 C ATOM 544 CD2 PHE A 36 3.133 -5.740 -3.448 1.00 2.70 C ATOM 545 CE1 PHE A 36 1.935 -4.248 -1.471 1.00 2.96 C ATOM 546 CE2 PHE A 36 2.359 -4.592 -3.764 1.00 3.80 C ATOM 547 CZ PHE A 36 1.776 -3.870 -2.769 1.00 3.55 C ATOM 0 H PHE A 36 5.734 -6.712 -3.455 1.00 1.45 H new ATOM 0 HA PHE A 36 5.610 -6.201 -0.699 1.00 1.65 H new ATOM 0 HB2 PHE A 36 4.145 -8.017 -2.676 1.00 1.93 H new ATOM 0 HB3 PHE A 36 3.635 -7.900 -1.003 1.00 1.93 H new ATOM 0 HD1 PHE A 36 2.836 -5.696 -0.127 1.00 2.33 H new ATOM 0 HD2 PHE A 36 3.596 -6.313 -4.238 1.00 2.70 H new ATOM 0 HE1 PHE A 36 1.473 -3.675 -0.681 1.00 2.96 H new ATOM 0 HE2 PHE A 36 2.233 -4.292 -4.794 1.00 3.80 H new ATOM 0 HZ PHE A 36 1.187 -2.997 -3.009 1.00 3.55 H new ATOM 557 N ARG A 37 6.525 -9.247 -1.507 1.00 1.16 N ATOM 558 CA ARG A 37 7.029 -10.505 -0.981 1.00 1.22 C ATOM 559 C ARG A 37 8.300 -10.265 -0.164 1.00 1.11 C ATOM 560 O ARG A 37 8.407 -10.726 0.972 1.00 1.16 O ATOM 561 CB ARG A 37 7.335 -11.490 -2.110 1.00 1.30 C ATOM 562 CG ARG A 37 7.717 -12.863 -1.550 1.00 1.72 C ATOM 563 CD ARG A 37 6.517 -13.537 -0.882 1.00 2.00 C ATOM 564 NE ARG A 37 5.374 -13.583 -1.822 1.00 2.68 N ATOM 565 CZ ARG A 37 4.098 -13.741 -1.447 1.00 3.94 C ATOM 566 NH1 ARG A 37 3.809 -14.409 -0.321 1.00 4.61 N ATOM 567 NH2 ARG A 37 3.111 -13.231 -2.195 1.00 5.27 N ATOM 0 H ARG A 37 6.483 -9.197 -2.525 1.00 1.16 H new ATOM 0 HA ARG A 37 6.256 -10.932 -0.342 1.00 1.22 H new ATOM 0 HB2 ARG A 37 6.465 -11.587 -2.759 1.00 1.30 H new ATOM 0 HB3 ARG A 37 8.149 -11.104 -2.724 1.00 1.30 H new ATOM 0 HG2 ARG A 37 8.093 -13.496 -2.354 1.00 1.72 H new ATOM 0 HG3 ARG A 37 8.525 -12.753 -0.827 1.00 1.72 H new ATOM 0 HD2 ARG A 37 6.783 -14.547 -0.571 1.00 2.00 H new ATOM 0 HD3 ARG A 37 6.237 -12.990 0.018 1.00 2.00 H new ATOM 0 HE ARG A 37 5.571 -13.488 -2.818 1.00 2.68 H new ATOM 0 HH11 ARG A 37 4.561 -14.796 0.249 1.00 4.61 H new ATOM 0 HH12 ARG A 37 2.837 -14.530 -0.035 1.00 4.61 H new ATOM 0 HH21 ARG A 37 3.331 -12.722 -3.051 1.00 5.27 H new ATOM 0 HH22 ARG A 37 2.140 -13.352 -1.909 1.00 5.27 H new ATOM 581 N ALA A 38 9.231 -9.546 -0.772 1.00 1.03 N ATOM 582 CA ALA A 38 10.555 -9.392 -0.195 1.00 1.05 C ATOM 583 C ALA A 38 10.485 -8.403 0.972 1.00 1.00 C ATOM 584 O ALA A 38 11.176 -8.572 1.975 1.00 1.08 O ATOM 585 CB ALA A 38 11.537 -8.945 -1.279 1.00 1.06 C ATOM 0 H ALA A 38 9.094 -9.063 -1.660 1.00 1.03 H new ATOM 0 HA ALA A 38 10.915 -10.343 0.198 1.00 1.05 H new ATOM 0 HB1 ALA A 38 12.530 -8.830 -0.845 1.00 1.06 H new ATOM 0 HB2 ALA A 38 11.571 -9.694 -2.070 1.00 1.06 H new ATOM 0 HB3 ALA A 38 11.210 -7.992 -1.695 1.00 1.06 H new ATOM 591 N LEU A 39 9.645 -7.393 0.800 1.00 0.94 N ATOM 592 CA LEU A 39 9.626 -6.271 1.723 1.00 0.93 C ATOM 593 C LEU A 39 9.057 -6.732 3.067 1.00 1.11 C ATOM 594 O LEU A 39 9.364 -6.150 4.107 1.00 1.35 O ATOM 595 CB LEU A 39 8.874 -5.087 1.111 1.00 0.93 C ATOM 596 CG LEU A 39 9.614 -4.317 0.016 1.00 0.89 C ATOM 597 CD1 LEU A 39 8.680 -3.330 -0.687 1.00 1.13 C ATOM 598 CD2 LEU A 39 10.859 -3.627 0.577 1.00 1.00 C ATOM 0 H LEU A 39 8.973 -7.328 0.036 1.00 0.94 H new ATOM 0 HA LEU A 39 10.639 -5.914 1.910 1.00 0.93 H new ATOM 0 HB2 LEU A 39 7.934 -5.453 0.698 1.00 0.93 H new ATOM 0 HB3 LEU A 39 8.621 -4.390 1.910 1.00 0.93 H new ATOM 0 HG LEU A 39 9.952 -5.031 -0.735 1.00 0.89 H new ATOM 0 HD11 LEU A 39 9.231 -2.796 -1.461 1.00 1.13 H new ATOM 0 HD12 LEU A 39 7.852 -3.874 -1.141 1.00 1.13 H new ATOM 0 HD13 LEU A 39 8.291 -2.617 0.040 1.00 1.13 H new ATOM 0 HD21 LEU A 39 11.367 -3.087 -0.222 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.566 -2.927 1.359 1.00 1.00 H new ATOM 0 HD23 LEU A 39 11.533 -4.375 0.994 1.00 1.00 H new ATOM 610 N SER A 40 8.239 -7.773 3.002 1.00 1.14 N ATOM 611 CA SER A 40 7.636 -8.327 4.203 1.00 1.36 C ATOM 612 C SER A 40 8.699 -9.046 5.036 1.00 1.53 C ATOM 613 O SER A 40 8.887 -8.734 6.211 1.00 1.92 O ATOM 614 CB SER A 40 6.496 -9.285 3.854 1.00 1.51 C ATOM 615 OG SER A 40 5.878 -9.826 5.019 1.00 3.04 O ATOM 0 H SER A 40 7.980 -8.247 2.137 1.00 1.14 H new ATOM 0 HA SER A 40 7.218 -7.507 4.788 1.00 1.36 H new ATOM 0 HB2 SER A 40 5.750 -8.759 3.259 1.00 1.51 H new ATOM 0 HB3 SER A 40 6.881 -10.097 3.237 1.00 1.51 H new ATOM 0 HG SER A 40 4.910 -9.882 4.879 1.00 3.04 H new ATOM 621 N THR A 41 9.365 -9.997 4.396 1.00 1.46 N ATOM 622 CA THR A 41 10.307 -10.852 5.097 1.00 1.68 C ATOM 623 C THR A 41 11.668 -10.162 5.213 1.00 1.93 C ATOM 624 O THR A 41 12.579 -10.683 5.856 1.00 2.70 O ATOM 625 CB THR A 41 10.366 -12.192 4.362 1.00 1.72 C ATOM 626 OG1 THR A 41 11.058 -13.052 5.263 1.00 2.44 O ATOM 627 CG2 THR A 41 11.266 -12.145 3.126 1.00 1.83 C ATOM 0 H THR A 41 9.270 -10.194 3.400 1.00 1.46 H new ATOM 0 HA THR A 41 9.985 -11.041 6.121 1.00 1.68 H new ATOM 0 HB THR A 41 9.359 -12.487 4.066 1.00 1.72 H new ATOM 0 HG1 THR A 41 11.727 -12.536 5.760 1.00 2.44 H new ATOM 0 HG21 THR A 41 11.272 -13.122 2.643 1.00 1.83 H new ATOM 0 HG22 THR A 41 10.888 -11.397 2.429 1.00 1.83 H new ATOM 0 HG23 THR A 41 12.281 -11.882 3.425 1.00 1.83 H new ATOM 635 N GLY A 42 11.765 -9.004 4.579 1.00 1.54 N ATOM 636 CA GLY A 42 12.982 -8.212 4.647 1.00 1.94 C ATOM 637 C GLY A 42 14.128 -8.904 3.906 1.00 1.75 C ATOM 638 O GLY A 42 15.295 -8.716 4.245 1.00 2.48 O ATOM 0 H GLY A 42 11.021 -8.594 4.015 1.00 1.54 H new ATOM 0 HA2 GLY A 42 12.805 -7.228 4.213 1.00 1.94 H new ATOM 0 HA3 GLY A 42 13.260 -8.055 5.689 1.00 1.94 H new ATOM 642 N GLU A 43 13.754 -9.690 2.907 1.00 2.08 N ATOM 643 CA GLU A 43 14.735 -10.421 2.123 1.00 2.92 C ATOM 644 C GLU A 43 15.816 -9.471 1.606 1.00 2.69 C ATOM 645 O GLU A 43 17.003 -9.788 1.657 1.00 3.28 O ATOM 646 CB GLU A 43 14.066 -11.170 0.968 1.00 4.12 C ATOM 647 CG GLU A 43 15.098 -11.941 0.144 1.00 5.05 C ATOM 648 CD GLU A 43 14.470 -12.506 -1.132 1.00 6.58 C ATOM 649 OE1 GLU A 43 14.429 -11.750 -2.127 1.00 7.58 O ATOM 650 OE2 GLU A 43 14.046 -13.681 -1.083 1.00 7.18 O ATOM 0 H GLU A 43 12.785 -9.837 2.623 1.00 2.08 H new ATOM 0 HA GLU A 43 15.208 -11.162 2.768 1.00 2.92 H new ATOM 0 HB2 GLU A 43 13.320 -11.861 1.361 1.00 4.12 H new ATOM 0 HB3 GLU A 43 13.539 -10.462 0.328 1.00 4.12 H new ATOM 0 HG2 GLU A 43 15.927 -11.282 -0.115 1.00 5.05 H new ATOM 0 HG3 GLU A 43 15.511 -12.754 0.741 1.00 5.05 H new ATOM 657 N LYS A 44 15.367 -8.323 1.120 1.00 2.60 N ATOM 658 CA LYS A 44 16.256 -7.404 0.428 1.00 2.67 C ATOM 659 C LYS A 44 17.024 -6.573 1.458 1.00 2.32 C ATOM 660 O LYS A 44 17.931 -5.822 1.103 1.00 2.73 O ATOM 661 CB LYS A 44 15.476 -6.562 -0.583 1.00 3.33 C ATOM 662 CG LYS A 44 15.834 -6.956 -2.017 1.00 3.49 C ATOM 663 CD LYS A 44 15.448 -8.410 -2.299 1.00 3.06 C ATOM 664 CE LYS A 44 14.624 -8.520 -3.584 1.00 3.25 C ATOM 665 NZ LYS A 44 14.384 -9.939 -3.925 1.00 4.22 N ATOM 0 H LYS A 44 14.400 -8.008 1.192 1.00 2.60 H new ATOM 0 HA LYS A 44 16.995 -7.954 -0.154 1.00 2.67 H new ATOM 0 HB2 LYS A 44 14.406 -6.693 -0.422 1.00 3.33 H new ATOM 0 HB3 LYS A 44 15.694 -5.506 -0.427 1.00 3.33 H new ATOM 0 HG2 LYS A 44 15.321 -6.297 -2.718 1.00 3.49 H new ATOM 0 HG3 LYS A 44 16.904 -6.822 -2.178 1.00 3.49 H new ATOM 0 HD2 LYS A 44 16.348 -9.018 -2.387 1.00 3.06 H new ATOM 0 HD3 LYS A 44 14.876 -8.807 -1.461 1.00 3.06 H new ATOM 0 HE2 LYS A 44 13.672 -8.004 -3.458 1.00 3.25 H new ATOM 0 HE3 LYS A 44 15.148 -8.027 -4.403 1.00 3.25 H new ATOM 0 HZ1 LYS A 44 13.639 -10.001 -4.648 1.00 4.22 H new ATOM 0 HZ2 LYS A 44 15.260 -10.360 -4.294 1.00 4.22 H new ATOM 0 HZ3 LYS A 44 14.084 -10.455 -3.073 1.00 4.22 H new ATOM 679 N GLY A 45 16.632 -6.734 2.714 1.00 2.19 N ATOM 680 CA GLY A 45 17.364 -6.126 3.811 1.00 2.94 C ATOM 681 C GLY A 45 16.465 -5.188 4.617 1.00 2.74 C ATOM 682 O GLY A 45 16.723 -4.930 5.792 1.00 3.79 O ATOM 0 H GLY A 45 15.816 -7.277 2.996 1.00 2.19 H new ATOM 0 HA2 GLY A 45 17.761 -6.904 4.463 1.00 2.94 H new ATOM 0 HA3 GLY A 45 18.217 -5.571 3.420 1.00 2.94 H new ATOM 686 N PHE A 46 15.425 -4.702 3.954 1.00 1.79 N ATOM 687 CA PHE A 46 14.539 -3.725 4.563 1.00 1.76 C ATOM 688 C PHE A 46 13.073 -4.098 4.337 1.00 1.45 C ATOM 689 O PHE A 46 12.768 -4.959 3.513 1.00 1.39 O ATOM 690 CB PHE A 46 14.822 -2.381 3.888 1.00 1.87 C ATOM 691 CG PHE A 46 15.153 -2.492 2.399 1.00 1.75 C ATOM 692 CD1 PHE A 46 16.443 -2.658 2.000 1.00 2.43 C ATOM 693 CD2 PHE A 46 14.158 -2.423 1.473 1.00 2.28 C ATOM 694 CE1 PHE A 46 16.750 -2.760 0.617 1.00 2.82 C ATOM 695 CE2 PHE A 46 14.466 -2.526 0.091 1.00 2.54 C ATOM 696 CZ PHE A 46 15.756 -2.692 -0.308 1.00 2.52 C ATOM 0 H PHE A 46 15.177 -4.967 3.001 1.00 1.79 H new ATOM 0 HA PHE A 46 14.714 -3.684 5.638 1.00 1.76 H new ATOM 0 HB2 PHE A 46 13.953 -1.735 4.010 1.00 1.87 H new ATOM 0 HB3 PHE A 46 15.654 -1.897 4.400 1.00 1.87 H new ATOM 0 HD1 PHE A 46 17.233 -2.712 2.734 1.00 2.43 H new ATOM 0 HD2 PHE A 46 13.134 -2.290 1.790 1.00 2.28 H new ATOM 0 HE1 PHE A 46 17.774 -2.892 0.300 1.00 2.82 H new ATOM 0 HE2 PHE A 46 13.676 -2.473 -0.644 1.00 2.54 H new ATOM 0 HZ PHE A 46 15.990 -2.770 -1.359 1.00 2.52 H new ATOM 706 N GLY A 47 12.203 -3.432 5.082 1.00 1.50 N ATOM 707 CA GLY A 47 10.783 -3.733 5.025 1.00 1.43 C ATOM 708 C GLY A 47 9.968 -2.680 5.779 1.00 1.59 C ATOM 709 O GLY A 47 10.517 -1.684 6.248 1.00 2.64 O ATOM 0 H GLY A 47 12.455 -2.684 5.729 1.00 1.50 H new ATOM 0 HA2 GLY A 47 10.458 -3.774 3.985 1.00 1.43 H new ATOM 0 HA3 GLY A 47 10.599 -4.717 5.455 1.00 1.43 H new ATOM 713 N TYR A 48 8.672 -2.935 5.871 1.00 1.16 N ATOM 714 CA TYR A 48 7.772 -2.010 6.540 1.00 1.49 C ATOM 715 C TYR A 48 7.789 -2.228 8.054 1.00 1.24 C ATOM 716 O TYR A 48 6.768 -2.576 8.646 1.00 1.94 O ATOM 717 CB TYR A 48 6.373 -2.323 6.007 1.00 2.03 C ATOM 718 CG TYR A 48 6.219 -2.111 4.499 1.00 2.92 C ATOM 719 CD1 TYR A 48 6.031 -0.839 3.998 1.00 4.20 C ATOM 720 CD2 TYR A 48 6.269 -3.191 3.642 1.00 3.47 C ATOM 721 CE1 TYR A 48 5.886 -0.639 2.579 1.00 5.25 C ATOM 722 CE2 TYR A 48 6.125 -2.991 2.224 1.00 4.67 C ATOM 723 CZ TYR A 48 5.940 -1.725 1.762 1.00 5.24 C ATOM 724 OH TYR A 48 5.804 -1.536 0.422 1.00 6.48 O ATOM 0 H TYR A 48 8.223 -3.769 5.493 1.00 1.16 H new ATOM 0 HA TYR A 48 8.070 -0.979 6.350 1.00 1.49 H new ATOM 0 HB2 TYR A 48 6.128 -3.358 6.245 1.00 2.03 H new ATOM 0 HB3 TYR A 48 5.649 -1.696 6.527 1.00 2.03 H new ATOM 0 HD1 TYR A 48 5.993 0.006 4.669 1.00 4.20 H new ATOM 0 HD2 TYR A 48 6.416 -4.186 4.035 1.00 3.47 H new ATOM 0 HE1 TYR A 48 5.738 0.351 2.173 1.00 5.25 H new ATOM 0 HE2 TYR A 48 6.163 -3.827 1.542 1.00 4.67 H new ATOM 0 HH TYR A 48 5.864 -2.399 -0.038 1.00 6.48 H new ATOM 734 N LYS A 49 8.959 -2.015 8.639 1.00 1.17 N ATOM 735 CA LYS A 49 9.119 -2.174 10.074 1.00 1.18 C ATOM 736 C LYS A 49 9.674 -0.878 10.667 1.00 1.45 C ATOM 737 O LYS A 49 10.889 -0.718 10.790 1.00 1.53 O ATOM 738 CB LYS A 49 9.968 -3.406 10.386 1.00 1.21 C ATOM 739 CG LYS A 49 9.181 -4.418 11.222 1.00 1.60 C ATOM 740 CD LYS A 49 8.991 -3.914 12.654 1.00 2.07 C ATOM 741 CE LYS A 49 7.738 -4.524 13.287 1.00 2.59 C ATOM 742 NZ LYS A 49 7.551 -4.011 14.662 1.00 3.61 N ATOM 0 H LYS A 49 9.805 -1.733 8.144 1.00 1.17 H new ATOM 0 HA LYS A 49 8.154 -2.354 10.547 1.00 1.18 H new ATOM 0 HB2 LYS A 49 10.294 -3.872 9.456 1.00 1.21 H new ATOM 0 HB3 LYS A 49 10.867 -3.106 10.924 1.00 1.21 H new ATOM 0 HG2 LYS A 49 8.209 -4.597 10.763 1.00 1.60 H new ATOM 0 HG3 LYS A 49 9.707 -5.372 11.235 1.00 1.60 H new ATOM 0 HD2 LYS A 49 9.866 -4.168 13.252 1.00 2.07 H new ATOM 0 HD3 LYS A 49 8.910 -2.827 12.653 1.00 2.07 H new ATOM 0 HE2 LYS A 49 6.864 -4.285 12.681 1.00 2.59 H new ATOM 0 HE3 LYS A 49 7.825 -5.610 13.306 1.00 2.59 H new ATOM 0 HZ1 LYS A 49 6.697 -4.435 15.077 1.00 3.61 H new ATOM 0 HZ2 LYS A 49 8.378 -4.261 15.241 1.00 3.61 H new ATOM 0 HZ3 LYS A 49 7.447 -2.977 14.635 1.00 3.61 H new ATOM 756 N GLY A 50 8.761 0.015 11.018 1.00 1.86 N ATOM 757 CA GLY A 50 9.147 1.300 11.576 1.00 2.25 C ATOM 758 C GLY A 50 8.001 2.310 11.469 1.00 2.11 C ATOM 759 O GLY A 50 7.785 3.108 12.380 1.00 3.16 O ATOM 0 H GLY A 50 7.755 -0.126 10.927 1.00 1.86 H new ATOM 0 HA2 GLY A 50 9.431 1.176 12.621 1.00 2.25 H new ATOM 0 HA3 GLY A 50 10.023 1.681 11.050 1.00 2.25 H new ATOM 763 N SER A 51 7.298 2.242 10.349 1.00 1.61 N ATOM 764 CA SER A 51 6.158 3.116 10.127 1.00 2.17 C ATOM 765 C SER A 51 5.076 2.376 9.339 1.00 1.91 C ATOM 766 O SER A 51 5.363 1.394 8.655 1.00 2.91 O ATOM 767 CB SER A 51 6.577 4.387 9.385 1.00 3.59 C ATOM 768 OG SER A 51 5.485 5.285 9.204 1.00 5.14 O ATOM 0 H SER A 51 7.495 1.596 9.585 1.00 1.61 H new ATOM 0 HA SER A 51 5.756 3.407 11.097 1.00 2.17 H new ATOM 0 HB2 SER A 51 7.369 4.887 9.942 1.00 3.59 H new ATOM 0 HB3 SER A 51 6.991 4.119 8.413 1.00 3.59 H new ATOM 0 HG SER A 51 5.697 5.917 8.486 1.00 5.14 H new ATOM 774 N CYS A 52 3.855 2.874 9.462 1.00 2.15 N ATOM 775 CA CYS A 52 2.713 2.216 8.849 1.00 3.19 C ATOM 776 C CYS A 52 2.189 3.113 7.725 1.00 2.77 C ATOM 777 O CYS A 52 2.289 2.763 6.550 1.00 3.58 O ATOM 778 CB CYS A 52 1.626 1.895 9.878 1.00 4.87 C ATOM 779 SG CYS A 52 0.151 1.213 9.035 1.00 7.15 S ATOM 0 H CYS A 52 3.631 3.725 9.977 1.00 2.15 H new ATOM 0 HA CYS A 52 3.022 1.257 8.433 1.00 3.19 H new ATOM 0 HB2 CYS A 52 2.003 1.177 10.607 1.00 4.87 H new ATOM 0 HB3 CYS A 52 1.357 2.796 10.428 1.00 4.87 H new ATOM 0 HG CYS A 52 -0.574 2.188 8.573 1.00 7.15 H new ATOM 785 N PHE A 53 1.641 4.251 8.126 1.00 2.06 N ATOM 786 CA PHE A 53 1.023 5.159 7.175 1.00 1.86 C ATOM 787 C PHE A 53 1.427 6.607 7.457 1.00 1.32 C ATOM 788 O PHE A 53 1.968 6.909 8.521 1.00 1.98 O ATOM 789 CB PHE A 53 -0.490 5.022 7.345 1.00 2.94 C ATOM 790 CG PHE A 53 -1.046 3.667 6.900 1.00 4.57 C ATOM 791 CD1 PHE A 53 -0.655 3.127 5.715 1.00 5.83 C ATOM 792 CD2 PHE A 53 -1.931 3.002 7.691 1.00 5.45 C ATOM 793 CE1 PHE A 53 -1.171 1.870 5.302 1.00 7.55 C ATOM 794 CE2 PHE A 53 -2.447 1.745 7.278 1.00 7.22 C ATOM 795 CZ PHE A 53 -2.056 1.206 6.093 1.00 8.09 C ATOM 0 H PHE A 53 1.612 4.565 9.096 1.00 2.06 H new ATOM 0 HA PHE A 53 1.343 4.912 6.163 1.00 1.86 H new ATOM 0 HB2 PHE A 53 -0.743 5.181 8.393 1.00 2.94 H new ATOM 0 HB3 PHE A 53 -0.982 5.810 6.775 1.00 2.94 H new ATOM 0 HD1 PHE A 53 0.048 3.654 5.088 1.00 5.83 H new ATOM 0 HD2 PHE A 53 -2.241 3.430 8.633 1.00 5.45 H new ATOM 0 HE1 PHE A 53 -0.861 1.442 4.360 1.00 7.55 H new ATOM 0 HE2 PHE A 53 -3.150 1.217 7.905 1.00 7.22 H new ATOM 0 HZ PHE A 53 -2.448 0.250 5.779 1.00 8.09 H new ATOM 805 N HIS A 54 1.148 7.467 6.488 1.00 1.22 N ATOM 806 CA HIS A 54 1.377 8.891 6.661 1.00 1.82 C ATOM 807 C HIS A 54 0.329 9.678 5.874 1.00 1.29 C ATOM 808 O HIS A 54 0.550 10.837 5.525 1.00 1.77 O ATOM 809 CB HIS A 54 2.811 9.261 6.275 1.00 3.05 C ATOM 810 CG HIS A 54 3.096 9.153 4.796 1.00 2.60 C ATOM 811 ND1 HIS A 54 3.552 7.987 4.204 1.00 2.64 N ATOM 812 CD2 HIS A 54 2.984 10.074 3.797 1.00 3.19 C ATOM 813 CE1 HIS A 54 3.705 8.209 2.906 1.00 2.49 C ATOM 814 NE2 HIS A 54 3.354 9.504 2.656 1.00 3.24 N ATOM 0 H HIS A 54 0.765 7.204 5.580 1.00 1.22 H new ATOM 0 HA HIS A 54 1.266 9.156 7.712 1.00 1.82 H new ATOM 0 HB2 HIS A 54 3.012 10.282 6.600 1.00 3.05 H new ATOM 0 HB3 HIS A 54 3.501 8.613 6.816 1.00 3.05 H new ATOM 0 HD2 HIS A 54 2.651 11.095 3.914 1.00 3.19 H new ATOM 0 HE1 HIS A 54 4.047 7.491 2.175 1.00 2.49 H new ATOM 0 HE2 HIS A 54 3.373 9.959 1.743 1.00 3.24 H new ATOM 822 N ARG A 55 -0.791 9.018 5.617 1.00 1.03 N ATOM 823 CA ARG A 55 -1.859 9.628 4.843 1.00 0.90 C ATOM 824 C ARG A 55 -3.101 8.734 4.855 1.00 0.75 C ATOM 825 O ARG A 55 -3.143 7.716 4.165 1.00 0.92 O ATOM 826 CB ARG A 55 -1.424 9.867 3.396 1.00 1.44 C ATOM 827 CG ARG A 55 -1.352 11.363 3.083 1.00 1.30 C ATOM 828 CD ARG A 55 -2.753 11.957 2.926 1.00 1.63 C ATOM 829 NE ARG A 55 -2.658 13.391 2.573 1.00 2.19 N ATOM 830 CZ ARG A 55 -2.377 14.364 3.450 1.00 3.39 C ATOM 831 NH1 ARG A 55 -2.140 14.060 4.734 1.00 4.14 N ATOM 832 NH2 ARG A 55 -2.334 15.640 3.045 1.00 4.42 N ATOM 0 H ARG A 55 -0.982 8.067 5.931 1.00 1.03 H new ATOM 0 HA ARG A 55 -2.094 10.588 5.302 1.00 0.90 H new ATOM 0 HB2 ARG A 55 -0.450 9.409 3.225 1.00 1.44 H new ATOM 0 HB3 ARG A 55 -2.126 9.384 2.717 1.00 1.44 H new ATOM 0 HG2 ARG A 55 -0.821 11.880 3.882 1.00 1.30 H new ATOM 0 HG3 ARG A 55 -0.782 11.520 2.167 1.00 1.30 H new ATOM 0 HD2 ARG A 55 -3.300 11.419 2.152 1.00 1.63 H new ATOM 0 HD3 ARG A 55 -3.313 11.839 3.853 1.00 1.63 H new ATOM 0 HE ARG A 55 -2.816 13.655 1.601 1.00 2.19 H new ATOM 0 HH11 ARG A 55 -2.174 13.088 5.043 1.00 4.14 H new ATOM 0 HH12 ARG A 55 -1.926 14.800 5.402 1.00 4.14 H new ATOM 0 HH21 ARG A 55 -2.515 15.871 2.068 1.00 4.42 H new ATOM 0 HH22 ARG A 55 -2.120 16.380 3.713 1.00 4.42 H new ATOM 846 N ILE A 56 -4.080 9.148 5.645 1.00 0.69 N ATOM 847 CA ILE A 56 -5.318 8.396 5.758 1.00 0.60 C ATOM 848 C ILE A 56 -6.502 9.330 5.502 1.00 0.60 C ATOM 849 O ILE A 56 -6.607 10.388 6.122 1.00 0.75 O ATOM 850 CB ILE A 56 -5.385 7.671 7.104 1.00 0.62 C ATOM 851 CG1 ILE A 56 -4.093 6.898 7.375 1.00 0.75 C ATOM 852 CG2 ILE A 56 -6.619 6.769 7.181 1.00 0.66 C ATOM 853 CD1 ILE A 56 -4.266 5.935 8.552 1.00 0.77 C ATOM 0 H ILE A 56 -4.041 9.994 6.213 1.00 0.69 H new ATOM 0 HA ILE A 56 -5.359 7.614 5.000 1.00 0.60 H new ATOM 0 HB ILE A 56 -5.484 8.420 7.890 1.00 0.62 H new ATOM 0 HG12 ILE A 56 -3.805 6.340 6.484 1.00 0.75 H new ATOM 0 HG13 ILE A 56 -3.285 7.597 7.589 1.00 0.75 H new ATOM 0 HG21 ILE A 56 -6.642 6.266 8.148 1.00 0.66 H new ATOM 0 HG22 ILE A 56 -7.519 7.373 7.065 1.00 0.66 H new ATOM 0 HG23 ILE A 56 -6.576 6.025 6.386 1.00 0.66 H new ATOM 0 HD11 ILE A 56 -3.333 5.398 8.723 1.00 0.77 H new ATOM 0 HD12 ILE A 56 -4.530 6.498 9.447 1.00 0.77 H new ATOM 0 HD13 ILE A 56 -5.058 5.222 8.325 1.00 0.77 H new ATOM 865 N ILE A 57 -7.365 8.906 4.591 1.00 0.58 N ATOM 866 CA ILE A 57 -8.593 9.636 4.326 1.00 0.61 C ATOM 867 C ILE A 57 -9.775 8.665 4.357 1.00 0.61 C ATOM 868 O ILE A 57 -9.814 7.704 3.588 1.00 0.65 O ATOM 869 CB ILE A 57 -8.478 10.421 3.018 1.00 0.63 C ATOM 870 CG1 ILE A 57 -7.365 11.468 3.104 1.00 0.73 C ATOM 871 CG2 ILE A 57 -9.821 11.043 2.632 1.00 0.65 C ATOM 872 CD1 ILE A 57 -7.150 12.152 1.753 1.00 0.82 C ATOM 0 H ILE A 57 -7.238 8.066 4.027 1.00 0.58 H new ATOM 0 HA ILE A 57 -8.769 10.379 5.103 1.00 0.61 H new ATOM 0 HB ILE A 57 -8.206 9.725 2.224 1.00 0.63 H new ATOM 0 HG12 ILE A 57 -7.620 12.214 3.857 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -6.438 10.993 3.427 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -9.711 11.595 1.699 1.00 0.65 H new ATOM 0 HG22 ILE A 57 -10.563 10.255 2.502 1.00 0.65 H new ATOM 0 HG23 ILE A 57 -10.147 11.722 3.419 1.00 0.65 H new ATOM 0 HD11 ILE A 57 -6.354 12.891 1.842 1.00 0.82 H new ATOM 0 HD12 ILE A 57 -6.871 11.407 1.008 1.00 0.82 H new ATOM 0 HD13 ILE A 57 -8.071 12.646 1.445 1.00 0.82 H new ATOM 884 N PRO A 58 -10.733 8.954 5.277 1.00 0.67 N ATOM 885 CA PRO A 58 -11.837 8.041 5.521 1.00 0.73 C ATOM 886 C PRO A 58 -12.860 8.103 4.385 1.00 0.75 C ATOM 887 O PRO A 58 -13.414 9.164 4.100 1.00 0.89 O ATOM 888 CB PRO A 58 -12.411 8.469 6.861 1.00 0.89 C ATOM 889 CG PRO A 58 -11.911 9.884 7.097 1.00 0.91 C ATOM 890 CD PRO A 58 -10.791 10.154 6.107 1.00 0.77 C ATOM 0 HA PRO A 58 -11.522 6.998 5.552 1.00 0.73 H new ATOM 0 HB2 PRO A 58 -13.500 8.437 6.847 1.00 0.89 H new ATOM 0 HB3 PRO A 58 -12.083 7.801 7.657 1.00 0.89 H new ATOM 0 HG2 PRO A 58 -12.720 10.602 6.963 1.00 0.91 H new ATOM 0 HG3 PRO A 58 -11.551 9.996 8.120 1.00 0.91 H new ATOM 0 HD2 PRO A 58 -10.998 11.041 5.507 1.00 0.77 H new ATOM 0 HD3 PRO A 58 -9.844 10.328 6.618 1.00 0.77 H new ATOM 898 N GLY A 59 -13.081 6.952 3.767 1.00 0.72 N ATOM 899 CA GLY A 59 -14.057 6.853 2.695 1.00 0.78 C ATOM 900 C GLY A 59 -13.443 7.260 1.354 1.00 0.75 C ATOM 901 O GLY A 59 -14.110 7.875 0.523 1.00 0.91 O ATOM 0 H GLY A 59 -12.601 6.080 3.988 1.00 0.72 H new ATOM 0 HA2 GLY A 59 -14.431 5.831 2.632 1.00 0.78 H new ATOM 0 HA3 GLY A 59 -14.912 7.492 2.917 1.00 0.78 H new ATOM 905 N PHE A 60 -12.178 6.902 1.185 1.00 0.62 N ATOM 906 CA PHE A 60 -11.492 7.153 -0.070 1.00 0.66 C ATOM 907 C PHE A 60 -10.367 6.139 -0.291 1.00 0.63 C ATOM 908 O PHE A 60 -10.386 5.389 -1.265 1.00 0.69 O ATOM 909 CB PHE A 60 -10.886 8.555 0.023 1.00 0.75 C ATOM 910 CG PHE A 60 -10.082 8.970 -1.211 1.00 0.87 C ATOM 911 CD1 PHE A 60 -10.415 8.480 -2.435 1.00 2.18 C ATOM 912 CD2 PHE A 60 -9.035 9.827 -1.082 1.00 1.83 C ATOM 913 CE1 PHE A 60 -9.669 8.865 -3.580 1.00 2.25 C ATOM 914 CE2 PHE A 60 -8.288 10.211 -2.228 1.00 1.92 C ATOM 915 CZ PHE A 60 -8.620 9.722 -3.452 1.00 1.17 C ATOM 0 H PHE A 60 -11.611 6.440 1.896 1.00 0.62 H new ATOM 0 HA PHE A 60 -12.193 7.067 -0.900 1.00 0.66 H new ATOM 0 HB2 PHE A 60 -11.688 9.276 0.181 1.00 0.75 H new ATOM 0 HB3 PHE A 60 -10.238 8.602 0.898 1.00 0.75 H new ATOM 0 HD1 PHE A 60 -11.247 7.798 -2.536 1.00 2.18 H new ATOM 0 HD2 PHE A 60 -8.771 10.216 -0.110 1.00 1.83 H new ATOM 0 HE1 PHE A 60 -9.934 8.478 -4.553 1.00 2.25 H new ATOM 0 HE2 PHE A 60 -7.456 10.892 -2.126 1.00 1.92 H new ATOM 0 HZ PHE A 60 -8.051 10.014 -4.323 1.00 1.17 H new ATOM 925 N MET A 61 -9.414 6.150 0.629 1.00 0.59 N ATOM 926 CA MET A 61 -8.289 5.234 0.553 1.00 0.61 C ATOM 927 C MET A 61 -7.391 5.365 1.785 1.00 0.61 C ATOM 928 O MET A 61 -7.622 6.220 2.638 1.00 0.62 O ATOM 929 CB MET A 61 -7.474 5.529 -0.707 1.00 0.73 C ATOM 930 CG MET A 61 -7.478 7.026 -1.025 1.00 1.83 C ATOM 931 SD MET A 61 -6.978 7.956 0.413 1.00 1.84 S ATOM 932 CE MET A 61 -5.207 7.947 0.188 1.00 1.30 C ATOM 0 H MET A 61 -9.398 6.779 1.432 1.00 0.59 H new ATOM 0 HA MET A 61 -8.676 4.216 0.515 1.00 0.61 H new ATOM 0 HB2 MET A 61 -6.449 5.186 -0.570 1.00 0.73 H new ATOM 0 HB3 MET A 61 -7.886 4.974 -1.549 1.00 0.73 H new ATOM 0 HG2 MET A 61 -6.802 7.232 -1.855 1.00 1.83 H new ATOM 0 HG3 MET A 61 -8.474 7.336 -1.341 1.00 1.83 H new ATOM 0 HE1 MET A 61 -4.734 8.490 1.006 1.00 1.30 H new ATOM 0 HE2 MET A 61 -4.847 6.918 0.179 1.00 1.30 H new ATOM 0 HE3 MET A 61 -4.958 8.427 -0.758 1.00 1.30 H new ATOM 942 N CYS A 62 -6.385 4.503 1.838 1.00 0.77 N ATOM 943 CA CYS A 62 -5.346 4.628 2.846 1.00 0.98 C ATOM 944 C CYS A 62 -3.988 4.498 2.154 1.00 1.36 C ATOM 945 O CYS A 62 -3.728 3.508 1.469 1.00 1.48 O ATOM 946 CB CYS A 62 -5.518 3.600 3.966 1.00 1.12 C ATOM 947 SG CYS A 62 -4.307 3.920 5.300 1.00 2.74 S ATOM 0 H CYS A 62 -6.268 3.716 1.200 1.00 0.77 H new ATOM 0 HA CYS A 62 -5.416 5.604 3.326 1.00 0.98 H new ATOM 0 HB2 CYS A 62 -6.532 3.650 4.364 1.00 1.12 H new ATOM 0 HB3 CYS A 62 -5.379 2.593 3.571 1.00 1.12 H new ATOM 0 HG CYS A 62 -3.724 2.807 5.633 1.00 2.74 H new ATOM 953 N GLN A 63 -3.157 5.510 2.357 1.00 1.78 N ATOM 954 CA GLN A 63 -1.873 5.573 1.676 1.00 2.35 C ATOM 955 C GLN A 63 -0.735 5.312 2.664 1.00 2.02 C ATOM 956 O GLN A 63 -0.819 5.697 3.829 1.00 2.15 O ATOM 957 CB GLN A 63 -1.692 6.919 0.973 1.00 3.08 C ATOM 958 CG GLN A 63 -0.919 6.753 -0.337 1.00 3.93 C ATOM 959 CD GLN A 63 -0.252 8.067 -0.750 1.00 5.47 C ATOM 960 OE1 GLN A 63 0.955 8.160 -0.898 1.00 6.09 O ATOM 961 NE2 GLN A 63 -1.104 9.073 -0.926 1.00 6.82 N ATOM 0 H GLN A 63 -3.347 6.293 2.983 1.00 1.78 H new ATOM 0 HA GLN A 63 -1.849 4.796 0.912 1.00 2.35 H new ATOM 0 HB2 GLN A 63 -2.667 7.362 0.770 1.00 3.08 H new ATOM 0 HB3 GLN A 63 -1.159 7.607 1.629 1.00 3.08 H new ATOM 0 HG2 GLN A 63 -0.162 5.977 -0.221 1.00 3.93 H new ATOM 0 HG3 GLN A 63 -1.597 6.422 -1.124 1.00 3.93 H new ATOM 0 HE21 GLN A 63 -2.103 8.926 -0.785 1.00 6.82 H new ATOM 0 HE22 GLN A 63 -0.758 9.992 -1.202 1.00 6.82 H new ATOM 970 N GLY A 64 0.304 4.659 2.162 1.00 1.91 N ATOM 971 CA GLY A 64 1.511 4.459 2.945 1.00 1.94 C ATOM 972 C GLY A 64 2.755 4.853 2.148 1.00 2.60 C ATOM 973 O GLY A 64 2.651 5.532 1.126 1.00 3.90 O ATOM 0 H GLY A 64 0.334 4.262 1.223 1.00 1.91 H new ATOM 0 HA2 GLY A 64 1.458 5.051 3.859 1.00 1.94 H new ATOM 0 HA3 GLY A 64 1.584 3.414 3.246 1.00 1.94 H new ATOM 977 N GLY A 65 3.901 4.413 2.643 1.00 2.26 N ATOM 978 CA GLY A 65 5.160 4.677 1.967 1.00 2.96 C ATOM 979 C GLY A 65 6.183 5.282 2.930 1.00 2.28 C ATOM 980 O GLY A 65 6.129 6.474 3.232 1.00 3.07 O ATOM 0 H GLY A 65 3.985 3.875 3.505 1.00 2.26 H new ATOM 0 HA2 GLY A 65 5.553 3.751 1.548 1.00 2.96 H new ATOM 0 HA3 GLY A 65 4.993 5.359 1.133 1.00 2.96 H new ATOM 984 N ASP A 66 7.093 4.434 3.387 1.00 2.04 N ATOM 985 CA ASP A 66 8.116 4.866 4.323 1.00 2.28 C ATOM 986 C ASP A 66 9.372 4.013 4.129 1.00 1.83 C ATOM 987 O ASP A 66 9.396 2.842 4.504 1.00 2.65 O ATOM 988 CB ASP A 66 7.647 4.694 5.769 1.00 3.64 C ATOM 989 CG ASP A 66 6.362 5.444 6.125 1.00 4.70 C ATOM 990 OD1 ASP A 66 5.296 5.008 5.639 1.00 5.24 O ATOM 991 OD2 ASP A 66 6.475 6.437 6.877 1.00 5.66 O ATOM 0 H ASP A 66 7.143 3.449 3.126 1.00 2.04 H new ATOM 0 HA ASP A 66 8.323 5.919 4.134 1.00 2.28 H new ATOM 0 HB2 ASP A 66 7.495 3.632 5.962 1.00 3.64 H new ATOM 0 HB3 ASP A 66 8.442 5.029 6.435 1.00 3.64 H new ATOM 996 N PHE A 67 10.385 4.634 3.543 1.00 1.84 N ATOM 997 CA PHE A 67 11.636 3.942 3.281 1.00 2.30 C ATOM 998 C PHE A 67 12.787 4.936 3.114 1.00 2.51 C ATOM 999 O PHE A 67 12.861 5.644 2.111 1.00 3.66 O ATOM 1000 CB PHE A 67 11.454 3.167 1.975 1.00 3.06 C ATOM 1001 CG PHE A 67 10.782 1.803 2.148 1.00 3.08 C ATOM 1002 CD1 PHE A 67 11.389 0.838 2.888 1.00 3.28 C ATOM 1003 CD2 PHE A 67 9.581 1.556 1.563 1.00 4.25 C ATOM 1004 CE1 PHE A 67 10.767 -0.429 3.050 1.00 4.38 C ATOM 1005 CE2 PHE A 67 8.958 0.290 1.723 1.00 5.28 C ATOM 1006 CZ PHE A 67 9.565 -0.676 2.463 1.00 5.23 C ATOM 0 H PHE A 67 10.365 5.608 3.242 1.00 1.84 H new ATOM 0 HA PHE A 67 11.878 3.283 4.115 1.00 2.30 H new ATOM 0 HB2 PHE A 67 10.859 3.769 1.288 1.00 3.06 H new ATOM 0 HB3 PHE A 67 12.430 3.023 1.511 1.00 3.06 H new ATOM 0 HD1 PHE A 67 12.344 1.034 3.353 1.00 3.28 H new ATOM 0 HD2 PHE A 67 9.099 2.324 0.975 1.00 4.25 H new ATOM 0 HE1 PHE A 67 11.248 -1.196 3.639 1.00 4.38 H new ATOM 0 HE2 PHE A 67 8.003 0.095 1.258 1.00 5.28 H new ATOM 0 HZ PHE A 67 9.093 -1.640 2.585 1.00 5.23 H new ATOM 1016 N THR A 68 13.658 4.957 4.112 1.00 2.63 N ATOM 1017 CA THR A 68 14.881 5.734 4.022 1.00 3.15 C ATOM 1018 C THR A 68 14.592 7.216 4.272 1.00 2.76 C ATOM 1019 O THR A 68 15.219 7.839 5.128 1.00 3.30 O ATOM 1020 CB THR A 68 15.515 5.461 2.657 1.00 3.87 C ATOM 1021 OG1 THR A 68 16.838 5.029 2.969 1.00 4.79 O ATOM 1022 CG2 THR A 68 15.722 6.738 1.840 1.00 4.36 C ATOM 0 H THR A 68 13.540 4.448 4.988 1.00 2.63 H new ATOM 0 HA THR A 68 15.594 5.440 4.793 1.00 3.15 H new ATOM 0 HB THR A 68 14.885 4.771 2.096 1.00 3.87 H new ATOM 0 HG1 THR A 68 17.321 4.828 2.140 1.00 4.79 H new ATOM 0 HG21 THR A 68 16.175 6.487 0.881 1.00 4.36 H new ATOM 0 HG22 THR A 68 14.760 7.222 1.672 1.00 4.36 H new ATOM 0 HG23 THR A 68 16.379 7.416 2.385 1.00 4.36 H new ATOM 1030 N ARG A 69 13.644 7.737 3.508 1.00 2.35 N ATOM 1031 CA ARG A 69 13.297 9.146 3.602 1.00 2.58 C ATOM 1032 C ARG A 69 12.164 9.347 4.611 1.00 2.63 C ATOM 1033 O ARG A 69 11.087 9.820 4.252 1.00 3.33 O ATOM 1034 CB ARG A 69 12.865 9.698 2.243 1.00 2.84 C ATOM 1035 CG ARG A 69 12.955 11.225 2.217 1.00 3.66 C ATOM 1036 CD ARG A 69 14.400 11.686 2.007 1.00 4.57 C ATOM 1037 NE ARG A 69 14.443 13.155 1.842 1.00 5.50 N ATOM 1038 CZ ARG A 69 14.584 14.021 2.854 1.00 6.38 C ATOM 1039 NH1 ARG A 69 14.504 13.591 4.121 1.00 6.49 N ATOM 1040 NH2 ARG A 69 14.804 15.319 2.601 1.00 7.55 N ATOM 0 H ARG A 69 13.105 7.210 2.821 1.00 2.35 H new ATOM 0 HA ARG A 69 14.184 9.685 3.935 1.00 2.58 H new ATOM 0 HB2 ARG A 69 13.497 9.280 1.459 1.00 2.84 H new ATOM 0 HB3 ARG A 69 11.843 9.387 2.029 1.00 2.84 H new ATOM 0 HG2 ARG A 69 12.325 11.616 1.418 1.00 3.66 H new ATOM 0 HG3 ARG A 69 12.572 11.631 3.153 1.00 3.66 H new ATOM 0 HD2 ARG A 69 15.012 11.389 2.858 1.00 4.57 H new ATOM 0 HD3 ARG A 69 14.821 11.200 1.127 1.00 4.57 H new ATOM 0 HE ARG A 69 14.360 13.532 0.898 1.00 5.50 H new ATOM 0 HH11 ARG A 69 14.336 12.604 4.315 1.00 6.49 H new ATOM 0 HH12 ARG A 69 14.611 14.251 4.891 1.00 6.49 H new ATOM 0 HH21 ARG A 69 14.864 15.648 1.637 1.00 7.55 H new ATOM 0 HH22 ARG A 69 14.911 15.978 3.372 1.00 7.55 H new ATOM 1054 N HIS A 70 12.446 8.978 5.851 1.00 2.91 N ATOM 1055 CA HIS A 70 11.448 9.065 6.904 1.00 3.48 C ATOM 1056 C HIS A 70 11.298 10.521 7.349 1.00 3.99 C ATOM 1057 O HIS A 70 11.800 10.906 8.403 1.00 4.90 O ATOM 1058 CB HIS A 70 11.793 8.124 8.060 1.00 4.11 C ATOM 1059 CG HIS A 70 11.939 6.678 7.650 1.00 3.95 C ATOM 1060 ND1 HIS A 70 10.868 5.803 7.596 1.00 3.68 N ATOM 1061 CD2 HIS A 70 13.040 5.963 7.278 1.00 4.87 C ATOM 1062 CE1 HIS A 70 11.316 4.618 7.207 1.00 4.05 C ATOM 1063 NE2 HIS A 70 12.662 4.719 7.011 1.00 4.89 N ATOM 0 H HIS A 70 13.352 8.618 6.151 1.00 2.91 H new ATOM 0 HA HIS A 70 10.482 8.736 6.522 1.00 3.48 H new ATOM 0 HB2 HIS A 70 12.723 8.456 8.521 1.00 4.11 H new ATOM 0 HB3 HIS A 70 11.016 8.199 8.821 1.00 4.11 H new ATOM 0 HD1 HIS A 70 9.899 6.031 7.818 1.00 3.68 H new ATOM 0 HD2 HIS A 70 14.048 6.345 7.212 1.00 4.87 H new ATOM 0 HE1 HIS A 70 10.720 3.728 7.069 1.00 4.05 H new ATOM 1071 N ASN A 71 10.605 11.291 6.522 1.00 3.75 N ATOM 1072 CA ASN A 71 10.381 12.695 6.820 1.00 4.46 C ATOM 1073 C ASN A 71 9.369 13.267 5.824 1.00 4.62 C ATOM 1074 O ASN A 71 8.397 13.907 6.220 1.00 5.48 O ATOM 1075 CB ASN A 71 11.677 13.499 6.691 1.00 4.66 C ATOM 1076 CG ASN A 71 11.441 14.975 7.018 1.00 5.49 C ATOM 1077 OD1 ASN A 71 11.524 15.407 8.156 1.00 6.59 O ATOM 1078 ND2 ASN A 71 11.143 15.723 5.958 1.00 5.53 N ATOM 0 H ASN A 71 10.192 10.969 5.647 1.00 3.75 H new ATOM 0 HA ASN A 71 10.011 12.768 7.843 1.00 4.46 H new ATOM 0 HB2 ASN A 71 12.431 13.090 7.363 1.00 4.66 H new ATOM 0 HB3 ASN A 71 12.068 13.405 5.678 1.00 4.66 H new ATOM 0 HD21 ASN A 71 10.968 16.721 6.071 1.00 5.53 H new ATOM 0 HD22 ASN A 71 11.090 15.298 5.032 1.00 5.53 H new ATOM 1085 N GLY A 72 9.634 13.016 4.550 1.00 4.16 N ATOM 1086 CA GLY A 72 8.768 13.513 3.494 1.00 4.59 C ATOM 1087 C GLY A 72 7.802 12.425 3.020 1.00 4.26 C ATOM 1088 O GLY A 72 6.643 12.398 3.431 1.00 5.35 O ATOM 0 H GLY A 72 10.436 12.475 4.225 1.00 4.16 H new ATOM 0 HA2 GLY A 72 8.204 14.373 3.856 1.00 4.59 H new ATOM 0 HA3 GLY A 72 9.372 13.858 2.655 1.00 4.59 H new ATOM 1092 N THR A 73 8.315 11.556 2.162 1.00 3.24 N ATOM 1093 CA THR A 73 7.514 10.467 1.630 1.00 3.51 C ATOM 1094 C THR A 73 8.365 9.207 1.467 1.00 3.04 C ATOM 1095 O THR A 73 8.085 8.181 2.085 1.00 4.15 O ATOM 1096 CB THR A 73 6.878 10.944 0.322 1.00 3.96 C ATOM 1097 OG1 THR A 73 5.959 11.954 0.730 1.00 5.16 O ATOM 1098 CG2 THR A 73 5.995 9.875 -0.324 1.00 4.50 C ATOM 0 H THR A 73 9.276 11.584 1.822 1.00 3.24 H new ATOM 0 HA THR A 73 6.714 10.193 2.318 1.00 3.51 H new ATOM 0 HB THR A 73 7.662 11.237 -0.376 1.00 3.96 H new ATOM 0 HG1 THR A 73 5.503 12.319 -0.057 1.00 5.16 H new ATOM 0 HG21 THR A 73 5.569 10.265 -1.248 1.00 4.50 H new ATOM 0 HG22 THR A 73 6.595 8.992 -0.545 1.00 4.50 H new ATOM 0 HG23 THR A 73 5.191 9.605 0.361 1.00 4.50 H new ATOM 1106 N GLY A 74 9.387 9.326 0.633 1.00 2.21 N ATOM 1107 CA GLY A 74 10.282 8.208 0.381 1.00 2.11 C ATOM 1108 C GLY A 74 9.597 7.140 -0.473 1.00 2.56 C ATOM 1109 O GLY A 74 8.609 7.420 -1.150 1.00 3.83 O ATOM 0 H GLY A 74 9.616 10.179 0.123 1.00 2.21 H new ATOM 0 HA2 GLY A 74 11.180 8.563 -0.125 1.00 2.11 H new ATOM 0 HA3 GLY A 74 10.601 7.772 1.328 1.00 2.11 H new ATOM 1113 N GLY A 75 10.148 5.936 -0.413 1.00 2.02 N ATOM 1114 CA GLY A 75 9.580 4.816 -1.142 1.00 2.54 C ATOM 1115 C GLY A 75 10.669 3.829 -1.566 1.00 1.82 C ATOM 1116 O GLY A 75 10.775 2.737 -1.007 1.00 2.73 O ATOM 0 H GLY A 75 10.982 5.712 0.130 1.00 2.02 H new ATOM 0 HA2 GLY A 75 8.845 4.307 -0.518 1.00 2.54 H new ATOM 0 HA3 GLY A 75 9.052 5.181 -2.023 1.00 2.54 H new ATOM 1120 N LYS A 76 11.452 4.247 -2.550 1.00 2.22 N ATOM 1121 CA LYS A 76 12.498 3.394 -3.088 1.00 1.77 C ATOM 1122 C LYS A 76 11.878 2.089 -3.590 1.00 1.79 C ATOM 1123 O LYS A 76 10.658 1.931 -3.576 1.00 2.59 O ATOM 1124 CB LYS A 76 13.608 3.190 -2.054 1.00 2.00 C ATOM 1125 CG LYS A 76 14.167 4.532 -1.578 1.00 2.90 C ATOM 1126 CD LYS A 76 14.732 5.337 -2.750 1.00 3.93 C ATOM 1127 CE LYS A 76 15.745 6.375 -2.265 1.00 4.39 C ATOM 1128 NZ LYS A 76 17.104 5.790 -2.216 1.00 4.60 N ATOM 0 H LYS A 76 11.383 5.165 -2.989 1.00 2.22 H new ATOM 0 HA LYS A 76 12.975 3.871 -3.944 1.00 1.77 H new ATOM 0 HB2 LYS A 76 13.219 2.632 -1.203 1.00 2.00 H new ATOM 0 HB3 LYS A 76 14.409 2.592 -2.488 1.00 2.00 H new ATOM 0 HG2 LYS A 76 13.380 5.103 -1.085 1.00 2.90 H new ATOM 0 HG3 LYS A 76 14.949 4.362 -0.838 1.00 2.90 H new ATOM 0 HD2 LYS A 76 15.209 4.663 -3.462 1.00 3.93 H new ATOM 0 HD3 LYS A 76 13.920 5.836 -3.278 1.00 3.93 H new ATOM 0 HE2 LYS A 76 15.738 7.238 -2.931 1.00 4.39 H new ATOM 0 HE3 LYS A 76 15.461 6.734 -1.276 1.00 4.39 H new ATOM 0 HZ1 LYS A 76 17.771 6.492 -1.837 1.00 4.60 H new ATOM 0 HZ2 LYS A 76 17.099 4.951 -1.602 1.00 4.60 H new ATOM 0 HZ3 LYS A 76 17.399 5.516 -3.175 1.00 4.60 H new ATOM 1142 N SER A 77 12.746 1.186 -4.023 1.00 1.26 N ATOM 1143 CA SER A 77 12.298 -0.094 -4.545 1.00 1.26 C ATOM 1144 C SER A 77 13.462 -1.087 -4.566 1.00 1.23 C ATOM 1145 O SER A 77 14.553 -0.780 -4.088 1.00 1.43 O ATOM 1146 CB SER A 77 11.706 0.060 -5.947 1.00 1.44 C ATOM 1147 OG SER A 77 12.674 -0.176 -6.965 1.00 2.33 O ATOM 0 H SER A 77 13.758 1.316 -4.023 1.00 1.26 H new ATOM 0 HA SER A 77 11.515 -0.476 -3.890 1.00 1.26 H new ATOM 0 HB2 SER A 77 10.876 -0.636 -6.068 1.00 1.44 H new ATOM 0 HB3 SER A 77 11.299 1.065 -6.060 1.00 1.44 H new ATOM 0 HG SER A 77 12.411 0.297 -7.782 1.00 2.33 H new ATOM 1153 N ILE A 78 13.190 -2.256 -5.128 1.00 1.28 N ATOM 1154 CA ILE A 78 14.199 -3.298 -5.211 1.00 1.41 C ATOM 1155 C ILE A 78 14.769 -3.336 -6.631 1.00 1.61 C ATOM 1156 O ILE A 78 15.588 -4.196 -6.951 1.00 2.03 O ATOM 1157 CB ILE A 78 13.627 -4.637 -4.742 1.00 1.33 C ATOM 1158 CG1 ILE A 78 12.486 -5.095 -5.653 1.00 1.89 C ATOM 1159 CG2 ILE A 78 13.198 -4.566 -3.275 1.00 1.45 C ATOM 1160 CD1 ILE A 78 12.264 -6.604 -5.537 1.00 1.90 C ATOM 0 H ILE A 78 12.286 -2.504 -5.530 1.00 1.28 H new ATOM 0 HA ILE A 78 15.029 -3.080 -4.539 1.00 1.41 H new ATOM 0 HB ILE A 78 14.414 -5.388 -4.811 1.00 1.33 H new ATOM 0 HG12 ILE A 78 11.570 -4.568 -5.387 1.00 1.89 H new ATOM 0 HG13 ILE A 78 12.715 -4.836 -6.687 1.00 1.89 H new ATOM 0 HG21 ILE A 78 12.795 -5.531 -2.967 1.00 1.45 H new ATOM 0 HG22 ILE A 78 14.060 -4.318 -2.655 1.00 1.45 H new ATOM 0 HG23 ILE A 78 12.433 -3.799 -3.156 1.00 1.45 H new ATOM 0 HD11 ILE A 78 11.448 -6.903 -6.195 1.00 1.90 H new ATOM 0 HD12 ILE A 78 13.174 -7.129 -5.826 1.00 1.90 H new ATOM 0 HD13 ILE A 78 12.011 -6.857 -4.507 1.00 1.90 H new ATOM 1172 N TYR A 79 14.314 -2.394 -7.443 1.00 1.52 N ATOM 1173 CA TYR A 79 14.699 -2.362 -8.843 1.00 1.78 C ATOM 1174 C TYR A 79 15.424 -1.058 -9.182 1.00 1.97 C ATOM 1175 O TYR A 79 15.511 -0.676 -10.349 1.00 2.55 O ATOM 1176 CB TYR A 79 13.397 -2.430 -9.642 1.00 1.80 C ATOM 1177 CG TYR A 79 12.681 -3.779 -9.551 1.00 1.83 C ATOM 1178 CD1 TYR A 79 13.310 -4.925 -9.991 1.00 1.96 C ATOM 1179 CD2 TYR A 79 11.405 -3.849 -9.029 1.00 2.83 C ATOM 1180 CE1 TYR A 79 12.637 -6.195 -9.906 1.00 2.15 C ATOM 1181 CE2 TYR A 79 10.731 -5.119 -8.943 1.00 3.12 C ATOM 1182 CZ TYR A 79 11.381 -6.229 -9.386 1.00 2.40 C ATOM 1183 OH TYR A 79 10.744 -7.429 -9.305 1.00 2.82 O ATOM 0 H TYR A 79 13.682 -1.646 -7.158 1.00 1.52 H new ATOM 0 HA TYR A 79 15.373 -3.187 -9.074 1.00 1.78 H new ATOM 0 HB2 TYR A 79 12.724 -1.649 -9.288 1.00 1.80 H new ATOM 0 HB3 TYR A 79 13.613 -2.215 -10.688 1.00 1.80 H new ATOM 0 HD1 TYR A 79 14.308 -4.870 -10.400 1.00 1.96 H new ATOM 0 HD2 TYR A 79 10.912 -2.952 -8.685 1.00 2.83 H new ATOM 0 HE1 TYR A 79 13.118 -7.099 -10.247 1.00 2.15 H new ATOM 0 HE2 TYR A 79 9.733 -5.188 -8.536 1.00 3.12 H new ATOM 0 HH TYR A 79 9.855 -7.302 -8.913 1.00 2.82 H new ATOM 1193 N GLY A 80 15.927 -0.410 -8.141 1.00 1.67 N ATOM 1194 CA GLY A 80 16.714 0.799 -8.321 1.00 1.89 C ATOM 1195 C GLY A 80 15.885 2.045 -8.001 1.00 2.09 C ATOM 1196 O GLY A 80 15.812 2.969 -8.808 1.00 3.70 O ATOM 0 H GLY A 80 15.805 -0.699 -7.170 1.00 1.67 H new ATOM 0 HA2 GLY A 80 17.591 0.766 -7.675 1.00 1.89 H new ATOM 0 HA3 GLY A 80 17.076 0.852 -9.348 1.00 1.89 H new ATOM 1200 N GLU A 81 15.283 2.028 -6.821 1.00 1.29 N ATOM 1201 CA GLU A 81 14.560 3.191 -6.333 1.00 1.25 C ATOM 1202 C GLU A 81 13.187 3.281 -7.003 1.00 1.13 C ATOM 1203 O GLU A 81 12.173 3.445 -6.327 1.00 1.22 O ATOM 1204 CB GLU A 81 15.365 4.471 -6.559 1.00 1.41 C ATOM 1205 CG GLU A 81 16.785 4.333 -6.004 1.00 2.86 C ATOM 1206 CD GLU A 81 17.462 5.699 -5.881 1.00 3.07 C ATOM 1207 OE1 GLU A 81 17.464 6.424 -6.899 1.00 3.20 O ATOM 1208 OE2 GLU A 81 17.962 5.987 -4.772 1.00 3.91 O ATOM 0 H GLU A 81 15.281 1.228 -6.188 1.00 1.29 H new ATOM 0 HA GLU A 81 14.412 3.079 -5.259 1.00 1.25 H new ATOM 0 HB2 GLU A 81 15.408 4.694 -7.625 1.00 1.41 H new ATOM 0 HB3 GLU A 81 14.863 5.310 -6.078 1.00 1.41 H new ATOM 0 HG2 GLU A 81 16.752 3.851 -5.027 1.00 2.86 H new ATOM 0 HG3 GLU A 81 17.374 3.689 -6.658 1.00 2.86 H new ATOM 1215 N LYS A 82 13.200 3.171 -8.323 1.00 1.10 N ATOM 1216 CA LYS A 82 11.971 3.252 -9.094 1.00 1.09 C ATOM 1217 C LYS A 82 11.685 1.893 -9.735 1.00 1.12 C ATOM 1218 O LYS A 82 12.439 0.941 -9.542 1.00 1.42 O ATOM 1219 CB LYS A 82 12.043 4.404 -10.098 1.00 1.24 C ATOM 1220 CG LYS A 82 12.510 5.694 -9.421 1.00 1.69 C ATOM 1221 CD LYS A 82 13.971 5.993 -9.761 1.00 2.60 C ATOM 1222 CE LYS A 82 14.513 7.132 -8.894 1.00 3.32 C ATOM 1223 NZ LYS A 82 15.989 7.195 -8.984 1.00 4.41 N ATOM 0 H LYS A 82 14.043 3.026 -8.879 1.00 1.10 H new ATOM 0 HA LYS A 82 11.127 3.481 -8.443 1.00 1.09 H new ATOM 0 HB2 LYS A 82 12.728 4.145 -10.906 1.00 1.24 H new ATOM 0 HB3 LYS A 82 11.063 4.560 -10.549 1.00 1.24 H new ATOM 0 HG2 LYS A 82 11.881 6.525 -9.740 1.00 1.69 H new ATOM 0 HG3 LYS A 82 12.395 5.604 -8.341 1.00 1.69 H new ATOM 0 HD2 LYS A 82 14.574 5.098 -9.610 1.00 2.60 H new ATOM 0 HD3 LYS A 82 14.056 6.261 -10.814 1.00 2.60 H new ATOM 0 HE2 LYS A 82 14.082 8.080 -9.217 1.00 3.32 H new ATOM 0 HE3 LYS A 82 14.212 6.982 -7.857 1.00 3.32 H new ATOM 0 HZ1 LYS A 82 16.408 6.723 -8.157 1.00 4.41 H new ATOM 0 HZ2 LYS A 82 16.305 6.717 -9.852 1.00 4.41 H new ATOM 0 HZ3 LYS A 82 16.293 8.189 -9.006 1.00 4.41 H new ATOM 1237 N PHE A 83 10.592 1.846 -10.484 1.00 1.17 N ATOM 1238 CA PHE A 83 10.179 0.610 -11.127 1.00 1.48 C ATOM 1239 C PHE A 83 9.181 0.886 -12.252 1.00 1.28 C ATOM 1240 O PHE A 83 8.281 1.711 -12.102 1.00 1.21 O ATOM 1241 CB PHE A 83 9.498 -0.244 -10.055 1.00 2.20 C ATOM 1242 CG PHE A 83 8.533 -1.291 -10.614 1.00 1.64 C ATOM 1243 CD1 PHE A 83 9.007 -2.320 -11.366 1.00 1.95 C ATOM 1244 CD2 PHE A 83 7.200 -1.192 -10.360 1.00 2.54 C ATOM 1245 CE1 PHE A 83 8.112 -3.293 -11.885 1.00 2.55 C ATOM 1246 CE2 PHE A 83 6.305 -2.165 -10.879 1.00 2.63 C ATOM 1247 CZ PHE A 83 6.779 -3.194 -11.631 1.00 2.40 C ATOM 0 H PHE A 83 9.981 2.643 -10.660 1.00 1.17 H new ATOM 0 HA PHE A 83 11.044 0.107 -11.560 1.00 1.48 H new ATOM 0 HB2 PHE A 83 10.264 -0.749 -9.466 1.00 2.20 H new ATOM 0 HB3 PHE A 83 8.953 0.411 -9.375 1.00 2.20 H new ATOM 0 HD1 PHE A 83 10.065 -2.397 -11.569 1.00 1.95 H new ATOM 0 HD2 PHE A 83 6.823 -0.374 -9.764 1.00 2.54 H new ATOM 0 HE1 PHE A 83 8.489 -4.111 -12.481 1.00 2.55 H new ATOM 0 HE2 PHE A 83 5.247 -2.088 -10.676 1.00 2.63 H new ATOM 0 HZ PHE A 83 6.097 -3.933 -12.027 1.00 2.40 H new ATOM 1257 N GLU A 84 9.373 0.179 -13.357 1.00 1.29 N ATOM 1258 CA GLU A 84 8.493 0.328 -14.503 1.00 1.20 C ATOM 1259 C GLU A 84 7.111 -0.250 -14.191 1.00 1.11 C ATOM 1260 O GLU A 84 6.930 -0.921 -13.176 1.00 1.15 O ATOM 1261 CB GLU A 84 9.095 -0.332 -15.746 1.00 1.30 C ATOM 1262 CG GLU A 84 10.245 0.505 -16.307 1.00 2.31 C ATOM 1263 CD GLU A 84 10.994 -0.258 -17.404 1.00 2.68 C ATOM 1264 OE1 GLU A 84 11.730 -1.200 -17.038 1.00 2.81 O ATOM 1265 OE2 GLU A 84 10.814 0.119 -18.581 1.00 3.71 O ATOM 0 H GLU A 84 10.125 -0.498 -13.482 1.00 1.29 H new ATOM 0 HA GLU A 84 8.381 1.392 -14.714 1.00 1.20 H new ATOM 0 HB2 GLU A 84 9.455 -1.329 -15.494 1.00 1.30 H new ATOM 0 HB3 GLU A 84 8.324 -0.454 -16.507 1.00 1.30 H new ATOM 0 HG2 GLU A 84 9.856 1.440 -16.710 1.00 2.31 H new ATOM 0 HG3 GLU A 84 10.935 0.766 -15.505 1.00 2.31 H new ATOM 1272 N ASP A 85 6.172 0.031 -15.082 1.00 1.12 N ATOM 1273 CA ASP A 85 4.826 -0.498 -14.942 1.00 1.13 C ATOM 1274 C ASP A 85 4.689 -1.762 -15.795 1.00 1.12 C ATOM 1275 O ASP A 85 5.231 -1.834 -16.896 1.00 1.89 O ATOM 1276 CB ASP A 85 3.784 0.513 -15.424 1.00 1.23 C ATOM 1277 CG ASP A 85 3.711 1.806 -14.611 1.00 1.67 C ATOM 1278 OD1 ASP A 85 3.043 1.773 -13.554 1.00 2.59 O ATOM 1279 OD2 ASP A 85 4.325 2.797 -15.061 1.00 2.70 O ATOM 0 H ASP A 85 6.316 0.618 -15.904 1.00 1.12 H new ATOM 0 HA ASP A 85 4.656 -0.715 -13.887 1.00 1.13 H new ATOM 0 HB2 ASP A 85 3.999 0.766 -16.462 1.00 1.23 H new ATOM 0 HB3 ASP A 85 2.804 0.037 -15.409 1.00 1.23 H new ATOM 1284 N GLU A 86 3.961 -2.727 -15.252 1.00 0.84 N ATOM 1285 CA GLU A 86 3.779 -3.999 -15.929 1.00 0.84 C ATOM 1286 C GLU A 86 2.653 -3.898 -16.959 1.00 0.91 C ATOM 1287 O GLU A 86 2.880 -4.086 -18.152 1.00 1.15 O ATOM 1288 CB GLU A 86 3.506 -5.121 -14.925 1.00 0.90 C ATOM 1289 CG GLU A 86 4.423 -6.319 -15.176 1.00 2.13 C ATOM 1290 CD GLU A 86 4.221 -6.876 -16.587 1.00 3.28 C ATOM 1291 OE1 GLU A 86 3.051 -7.161 -16.923 1.00 4.27 O ATOM 1292 OE2 GLU A 86 5.242 -7.005 -17.297 1.00 4.22 O ATOM 0 H GLU A 86 3.490 -2.653 -14.350 1.00 0.84 H new ATOM 0 HA GLU A 86 4.703 -4.243 -16.454 1.00 0.84 H new ATOM 0 HB2 GLU A 86 3.656 -4.750 -13.911 1.00 0.90 H new ATOM 0 HB3 GLU A 86 2.465 -5.434 -14.999 1.00 0.90 H new ATOM 0 HG2 GLU A 86 5.463 -6.020 -15.044 1.00 2.13 H new ATOM 0 HG3 GLU A 86 4.220 -7.098 -14.441 1.00 2.13 H new ATOM 1299 N ASN A 87 1.463 -3.599 -16.459 1.00 0.78 N ATOM 1300 CA ASN A 87 0.302 -3.463 -17.322 1.00 0.81 C ATOM 1301 C ASN A 87 -0.876 -2.931 -16.504 1.00 0.67 C ATOM 1302 O ASN A 87 -0.738 -2.662 -15.312 1.00 0.68 O ATOM 1303 CB ASN A 87 -0.105 -4.814 -17.914 1.00 0.97 C ATOM 1304 CG ASN A 87 -0.522 -5.792 -16.813 1.00 1.38 C ATOM 1305 OD1 ASN A 87 -1.627 -5.753 -16.299 1.00 2.67 O ATOM 1306 ND2 ASN A 87 0.423 -6.667 -16.482 1.00 1.19 N ATOM 0 H ASN A 87 1.278 -3.447 -15.468 1.00 0.78 H new ATOM 0 HA ASN A 87 0.560 -2.778 -18.130 1.00 0.81 H new ATOM 0 HB2 ASN A 87 -0.929 -4.675 -18.613 1.00 0.97 H new ATOM 0 HB3 ASN A 87 0.727 -5.232 -18.481 1.00 0.97 H new ATOM 0 HD21 ASN A 87 0.244 -7.362 -15.757 1.00 1.19 H new ATOM 0 HD22 ASN A 87 1.327 -6.644 -16.953 1.00 1.19 H new ATOM 1313 N PHE A 88 -2.009 -2.794 -17.177 1.00 0.82 N ATOM 1314 CA PHE A 88 -3.228 -2.362 -16.512 1.00 0.74 C ATOM 1315 C PHE A 88 -4.405 -3.265 -16.885 1.00 0.74 C ATOM 1316 O PHE A 88 -5.511 -2.782 -17.127 1.00 0.74 O ATOM 1317 CB PHE A 88 -3.519 -0.939 -16.994 1.00 0.75 C ATOM 1318 CG PHE A 88 -2.397 0.058 -16.701 1.00 0.80 C ATOM 1319 CD1 PHE A 88 -2.125 0.419 -15.418 1.00 1.78 C ATOM 1320 CD2 PHE A 88 -1.672 0.586 -17.724 1.00 1.74 C ATOM 1321 CE1 PHE A 88 -1.085 1.346 -15.147 1.00 1.85 C ATOM 1322 CE2 PHE A 88 -0.630 1.513 -17.453 1.00 1.77 C ATOM 1323 CZ PHE A 88 -0.359 1.873 -16.170 1.00 0.98 C ATOM 0 H PHE A 88 -2.109 -2.974 -18.176 1.00 0.82 H new ATOM 0 HA PHE A 88 -3.099 -2.407 -15.431 1.00 0.74 H new ATOM 0 HB2 PHE A 88 -3.701 -0.960 -18.069 1.00 0.75 H new ATOM 0 HB3 PHE A 88 -4.436 -0.587 -16.522 1.00 0.75 H new ATOM 0 HD1 PHE A 88 -2.700 0.000 -14.606 1.00 1.78 H new ATOM 0 HD2 PHE A 88 -1.889 0.300 -18.743 1.00 1.74 H new ATOM 0 HE1 PHE A 88 -0.870 1.633 -14.128 1.00 1.85 H new ATOM 0 HE2 PHE A 88 -0.054 1.931 -18.265 1.00 1.77 H new ATOM 0 HZ PHE A 88 0.433 2.578 -15.963 1.00 0.98 H new ATOM 1333 N ILE A 89 -4.128 -4.561 -16.918 1.00 0.79 N ATOM 1334 CA ILE A 89 -5.159 -5.539 -17.225 1.00 0.83 C ATOM 1335 C ILE A 89 -6.263 -5.457 -16.169 1.00 0.77 C ATOM 1336 O ILE A 89 -7.446 -5.529 -16.496 1.00 0.82 O ATOM 1337 CB ILE A 89 -4.547 -6.933 -17.369 1.00 0.94 C ATOM 1338 CG1 ILE A 89 -3.725 -7.041 -18.655 1.00 1.03 C ATOM 1339 CG2 ILE A 89 -5.626 -8.016 -17.286 1.00 1.02 C ATOM 1340 CD1 ILE A 89 -2.736 -8.206 -18.578 1.00 1.10 C ATOM 0 H ILE A 89 -3.205 -4.956 -16.737 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.621 -5.318 -18.187 1.00 0.83 H new ATOM 0 HB ILE A 89 -3.863 -7.094 -16.535 1.00 0.94 H new ATOM 0 HG12 ILE A 89 -4.392 -7.181 -19.506 1.00 1.03 H new ATOM 0 HG13 ILE A 89 -3.183 -6.110 -18.824 1.00 1.03 H new ATOM 0 HG21 ILE A 89 -5.165 -8.998 -17.391 1.00 1.02 H new ATOM 0 HG22 ILE A 89 -6.131 -7.954 -16.322 1.00 1.02 H new ATOM 0 HG23 ILE A 89 -6.352 -7.869 -18.086 1.00 1.02 H new ATOM 0 HD11 ILE A 89 -2.165 -8.260 -19.505 1.00 1.10 H new ATOM 0 HD12 ILE A 89 -2.056 -8.051 -17.741 1.00 1.10 H new ATOM 0 HD13 ILE A 89 -3.282 -9.138 -18.434 1.00 1.10 H new ATOM 1352 N LEU A 90 -5.836 -5.309 -14.923 1.00 0.77 N ATOM 1353 CA LEU A 90 -6.773 -5.247 -13.813 1.00 0.73 C ATOM 1354 C LEU A 90 -7.350 -3.833 -13.718 1.00 0.64 C ATOM 1355 O LEU A 90 -6.848 -2.910 -14.357 1.00 0.76 O ATOM 1356 CB LEU A 90 -6.107 -5.729 -12.523 1.00 0.83 C ATOM 1357 CG LEU A 90 -5.833 -7.231 -12.429 1.00 1.17 C ATOM 1358 CD1 LEU A 90 -4.615 -7.618 -13.270 1.00 1.05 C ATOM 1359 CD2 LEU A 90 -5.688 -7.672 -10.972 1.00 2.50 C ATOM 0 H LEU A 90 -4.854 -5.230 -14.658 1.00 0.77 H new ATOM 0 HA LEU A 90 -7.611 -5.923 -13.982 1.00 0.73 H new ATOM 0 HB2 LEU A 90 -5.161 -5.200 -12.406 1.00 0.83 H new ATOM 0 HB3 LEU A 90 -6.739 -5.442 -11.682 1.00 0.83 H new ATOM 0 HG LEU A 90 -6.691 -7.762 -12.841 1.00 1.17 H new ATOM 0 HD11 LEU A 90 -4.441 -8.691 -13.186 1.00 1.05 H new ATOM 0 HD12 LEU A 90 -4.796 -7.360 -14.313 1.00 1.05 H new ATOM 0 HD13 LEU A 90 -3.738 -7.079 -12.910 1.00 1.05 H new ATOM 0 HD21 LEU A 90 -5.494 -8.744 -10.934 1.00 2.50 H new ATOM 0 HD22 LEU A 90 -4.858 -7.136 -10.511 1.00 2.50 H new ATOM 0 HD23 LEU A 90 -6.608 -7.451 -10.432 1.00 2.50 H new ATOM 1371 N LYS A 91 -8.396 -3.709 -12.915 1.00 0.60 N ATOM 1372 CA LYS A 91 -9.119 -2.452 -12.815 1.00 0.58 C ATOM 1373 C LYS A 91 -9.278 -2.076 -11.340 1.00 0.48 C ATOM 1374 O LYS A 91 -8.828 -2.805 -10.458 1.00 0.44 O ATOM 1375 CB LYS A 91 -10.443 -2.532 -13.576 1.00 0.75 C ATOM 1376 CG LYS A 91 -10.242 -2.229 -15.062 1.00 1.06 C ATOM 1377 CD LYS A 91 -11.551 -2.387 -15.837 1.00 1.24 C ATOM 1378 CE LYS A 91 -12.634 -1.461 -15.278 1.00 1.72 C ATOM 1379 NZ LYS A 91 -13.626 -2.236 -14.499 1.00 3.43 N ATOM 0 H LYS A 91 -8.761 -4.458 -12.327 1.00 0.60 H new ATOM 0 HA LYS A 91 -8.555 -1.650 -13.290 1.00 0.58 H new ATOM 0 HB2 LYS A 91 -10.874 -3.526 -13.459 1.00 0.75 H new ATOM 0 HB3 LYS A 91 -11.154 -1.824 -13.150 1.00 0.75 H new ATOM 0 HG2 LYS A 91 -9.865 -1.213 -15.182 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -9.488 -2.899 -15.475 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -11.384 -2.162 -16.890 1.00 1.24 H new ATOM 0 HD3 LYS A 91 -11.888 -3.422 -15.781 1.00 1.24 H new ATOM 0 HE2 LYS A 91 -12.179 -0.700 -14.644 1.00 1.72 H new ATOM 0 HE3 LYS A 91 -13.132 -0.939 -16.095 1.00 1.72 H new ATOM 0 HZ1 LYS A 91 -14.354 -1.593 -14.127 1.00 3.43 H new ATOM 0 HZ2 LYS A 91 -14.073 -2.946 -15.114 1.00 3.43 H new ATOM 0 HZ3 LYS A 91 -13.149 -2.714 -13.708 1.00 3.43 H new ATOM 1393 N HIS A 92 -9.920 -0.938 -11.119 1.00 0.53 N ATOM 1394 CA HIS A 92 -10.319 -0.553 -9.777 1.00 0.51 C ATOM 1395 C HIS A 92 -11.800 -0.880 -9.568 1.00 0.54 C ATOM 1396 O HIS A 92 -12.662 -0.026 -9.770 1.00 0.63 O ATOM 1397 CB HIS A 92 -9.995 0.918 -9.514 1.00 0.51 C ATOM 1398 CG HIS A 92 -8.719 1.136 -8.736 1.00 1.04 C ATOM 1399 ND1 HIS A 92 -7.464 1.039 -9.310 1.00 1.01 N ATOM 1400 CD2 HIS A 92 -8.519 1.449 -7.423 1.00 2.77 C ATOM 1401 CE1 HIS A 92 -6.556 1.282 -8.376 1.00 1.40 C ATOM 1402 NE2 HIS A 92 -7.211 1.536 -7.207 1.00 2.77 N ATOM 0 H HIS A 92 -10.173 -0.270 -11.847 1.00 0.53 H new ATOM 0 HA HIS A 92 -9.749 -1.127 -9.046 1.00 0.51 H new ATOM 0 HB2 HIS A 92 -9.920 1.439 -10.468 1.00 0.51 H new ATOM 0 HB3 HIS A 92 -10.823 1.370 -8.968 1.00 0.51 H new ATOM 0 HD2 HIS A 92 -9.293 1.600 -6.685 1.00 2.77 H new ATOM 0 HE1 HIS A 92 -5.485 1.279 -8.516 1.00 1.40 H new ATOM 0 HE2 HIS A 92 -6.770 1.756 -6.314 1.00 2.77 H new ATOM 1410 N THR A 93 -12.048 -2.118 -9.166 1.00 0.50 N ATOM 1411 CA THR A 93 -13.411 -2.611 -9.059 1.00 0.55 C ATOM 1412 C THR A 93 -14.165 -1.858 -7.961 1.00 0.52 C ATOM 1413 O THR A 93 -15.384 -1.706 -8.032 1.00 0.62 O ATOM 1414 CB THR A 93 -13.351 -4.121 -8.828 1.00 0.61 C ATOM 1415 OG1 THR A 93 -12.296 -4.286 -7.884 1.00 0.59 O ATOM 1416 CG2 THR A 93 -12.868 -4.884 -10.064 1.00 0.69 C ATOM 0 H THR A 93 -11.328 -2.794 -8.911 1.00 0.50 H new ATOM 0 HA THR A 93 -13.970 -2.430 -9.977 1.00 0.55 H new ATOM 0 HB THR A 93 -14.338 -4.484 -8.540 1.00 0.61 H new ATOM 0 HG1 THR A 93 -12.388 -5.154 -7.439 1.00 0.59 H new ATOM 0 HG21 THR A 93 -12.844 -5.952 -9.846 1.00 0.69 H new ATOM 0 HG22 THR A 93 -13.549 -4.699 -10.895 1.00 0.69 H new ATOM 0 HG23 THR A 93 -11.867 -4.546 -10.332 1.00 0.69 H new ATOM 1424 N GLY A 94 -13.409 -1.406 -6.971 1.00 0.47 N ATOM 1425 CA GLY A 94 -13.990 -0.663 -5.865 1.00 0.46 C ATOM 1426 C GLY A 94 -13.130 -0.791 -4.607 1.00 0.43 C ATOM 1427 O GLY A 94 -11.904 -0.718 -4.679 1.00 0.42 O ATOM 0 H GLY A 94 -12.400 -1.540 -6.912 1.00 0.47 H new ATOM 0 HA2 GLY A 94 -14.086 0.388 -6.139 1.00 0.46 H new ATOM 0 HA3 GLY A 94 -14.995 -1.033 -5.662 1.00 0.46 H new ATOM 1431 N PRO A 95 -13.824 -0.986 -3.453 1.00 0.43 N ATOM 1432 CA PRO A 95 -13.138 -1.078 -2.175 1.00 0.44 C ATOM 1433 C PRO A 95 -12.440 -2.431 -2.023 1.00 0.46 C ATOM 1434 O PRO A 95 -12.878 -3.429 -2.595 1.00 0.51 O ATOM 1435 CB PRO A 95 -14.221 -0.849 -1.132 1.00 0.47 C ATOM 1436 CG PRO A 95 -15.542 -1.099 -1.840 1.00 0.49 C ATOM 1437 CD PRO A 95 -15.272 -1.124 -3.336 1.00 0.46 C ATOM 0 HA PRO A 95 -12.340 -0.343 -2.072 1.00 0.44 H new ATOM 0 HB2 PRO A 95 -14.097 -1.525 -0.286 1.00 0.47 H new ATOM 0 HB3 PRO A 95 -14.175 0.166 -0.738 1.00 0.47 H new ATOM 0 HG2 PRO A 95 -15.976 -2.044 -1.515 1.00 0.49 H new ATOM 0 HG3 PRO A 95 -16.260 -0.317 -1.595 1.00 0.49 H new ATOM 0 HD2 PRO A 95 -15.619 -2.054 -3.786 1.00 0.46 H new ATOM 0 HD3 PRO A 95 -15.790 -0.311 -3.846 1.00 0.46 H new ATOM 1445 N GLY A 96 -11.364 -2.422 -1.250 1.00 0.53 N ATOM 1446 CA GLY A 96 -10.631 -3.645 -0.974 1.00 0.57 C ATOM 1447 C GLY A 96 -9.716 -4.013 -2.144 1.00 0.55 C ATOM 1448 O GLY A 96 -9.502 -5.191 -2.423 1.00 0.76 O ATOM 0 H GLY A 96 -10.982 -1.587 -0.806 1.00 0.53 H new ATOM 0 HA2 GLY A 96 -10.037 -3.520 -0.069 1.00 0.57 H new ATOM 0 HA3 GLY A 96 -11.332 -4.458 -0.786 1.00 0.57 H new ATOM 1452 N ILE A 97 -9.201 -2.982 -2.798 1.00 0.48 N ATOM 1453 CA ILE A 97 -8.321 -3.182 -3.937 1.00 0.46 C ATOM 1454 C ILE A 97 -6.915 -2.695 -3.581 1.00 0.47 C ATOM 1455 O ILE A 97 -6.751 -1.600 -3.044 1.00 0.58 O ATOM 1456 CB ILE A 97 -8.904 -2.519 -5.186 1.00 0.50 C ATOM 1457 CG1 ILE A 97 -10.004 -3.385 -5.804 1.00 0.81 C ATOM 1458 CG2 ILE A 97 -7.802 -2.186 -6.195 1.00 0.57 C ATOM 1459 CD1 ILE A 97 -9.404 -4.515 -6.644 1.00 0.69 C ATOM 0 H ILE A 97 -9.376 -2.006 -2.561 1.00 0.48 H new ATOM 0 HA ILE A 97 -8.240 -4.243 -4.175 1.00 0.46 H new ATOM 0 HB ILE A 97 -9.365 -1.577 -4.889 1.00 0.50 H new ATOM 0 HG12 ILE A 97 -10.628 -3.805 -5.015 1.00 0.81 H new ATOM 0 HG13 ILE A 97 -10.651 -2.768 -6.427 1.00 0.81 H new ATOM 0 HG21 ILE A 97 -8.243 -1.716 -7.074 1.00 0.57 H new ATOM 0 HG22 ILE A 97 -7.085 -1.503 -5.739 1.00 0.57 H new ATOM 0 HG23 ILE A 97 -7.291 -3.102 -6.492 1.00 0.57 H new ATOM 0 HD11 ILE A 97 -10.207 -5.116 -7.072 1.00 0.69 H new ATOM 0 HD12 ILE A 97 -8.801 -4.091 -7.447 1.00 0.69 H new ATOM 0 HD13 ILE A 97 -8.777 -5.144 -6.012 1.00 0.69 H new ATOM 1471 N LEU A 98 -5.936 -3.530 -3.894 1.00 0.48 N ATOM 1472 CA LEU A 98 -4.549 -3.192 -3.627 1.00 0.55 C ATOM 1473 C LEU A 98 -3.905 -2.649 -4.904 1.00 0.56 C ATOM 1474 O LEU A 98 -4.162 -3.155 -5.996 1.00 0.84 O ATOM 1475 CB LEU A 98 -3.811 -4.392 -3.029 1.00 0.66 C ATOM 1476 CG LEU A 98 -2.454 -4.092 -2.387 1.00 0.80 C ATOM 1477 CD1 LEU A 98 -2.629 -3.369 -1.050 1.00 1.01 C ATOM 1478 CD2 LEU A 98 -1.622 -5.369 -2.243 1.00 2.08 C ATOM 0 H LEU A 98 -6.076 -4.441 -4.331 1.00 0.48 H new ATOM 0 HA LEU A 98 -4.487 -2.402 -2.878 1.00 0.55 H new ATOM 0 HB2 LEU A 98 -4.453 -4.851 -2.277 1.00 0.66 H new ATOM 0 HB3 LEU A 98 -3.663 -5.132 -3.816 1.00 0.66 H new ATOM 0 HG LEU A 98 -1.904 -3.421 -3.047 1.00 0.80 H new ATOM 0 HD11 LEU A 98 -1.650 -3.167 -0.615 1.00 1.01 H new ATOM 0 HD12 LEU A 98 -3.155 -2.428 -1.211 1.00 1.01 H new ATOM 0 HD13 LEU A 98 -3.206 -3.996 -0.370 1.00 1.01 H new ATOM 0 HD21 LEU A 98 -0.663 -5.129 -1.784 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -2.156 -6.082 -1.615 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -1.454 -5.807 -3.227 1.00 2.08 H new ATOM 1490 N SER A 99 -3.081 -1.628 -4.726 1.00 1.13 N ATOM 1491 CA SER A 99 -2.501 -0.928 -5.859 1.00 1.20 C ATOM 1492 C SER A 99 -1.228 -0.198 -5.426 1.00 1.15 C ATOM 1493 O SER A 99 -0.816 -0.292 -4.271 1.00 1.31 O ATOM 1494 CB SER A 99 -3.498 0.060 -6.466 1.00 1.24 C ATOM 1495 OG SER A 99 -2.855 1.038 -7.280 1.00 2.22 O ATOM 0 H SER A 99 -2.801 -1.268 -3.814 1.00 1.13 H new ATOM 0 HA SER A 99 -2.250 -1.664 -6.623 1.00 1.20 H new ATOM 0 HB2 SER A 99 -4.229 -0.484 -7.063 1.00 1.24 H new ATOM 0 HB3 SER A 99 -4.047 0.558 -5.667 1.00 1.24 H new ATOM 0 HG SER A 99 -2.522 0.614 -8.098 1.00 2.22 H new ATOM 1501 N MET A 100 -0.638 0.513 -6.377 1.00 1.01 N ATOM 1502 CA MET A 100 0.654 1.137 -6.153 1.00 1.02 C ATOM 1503 C MET A 100 0.662 2.579 -6.665 1.00 0.99 C ATOM 1504 O MET A 100 0.480 2.819 -7.857 1.00 1.58 O ATOM 1505 CB MET A 100 1.740 0.333 -6.872 1.00 1.28 C ATOM 1506 CG MET A 100 2.091 -0.934 -6.090 1.00 1.73 C ATOM 1507 SD MET A 100 3.334 -1.868 -6.967 1.00 2.11 S ATOM 1508 CE MET A 100 4.713 -0.741 -6.845 1.00 1.24 C ATOM 0 H MET A 100 -1.032 0.670 -7.305 1.00 1.01 H new ATOM 0 HA MET A 100 0.850 1.151 -5.081 1.00 1.02 H new ATOM 0 HB2 MET A 100 1.398 0.065 -7.871 1.00 1.28 H new ATOM 0 HB3 MET A 100 2.632 0.948 -6.995 1.00 1.28 H new ATOM 0 HG2 MET A 100 2.456 -0.669 -5.098 1.00 1.73 H new ATOM 0 HG3 MET A 100 1.198 -1.543 -5.949 1.00 1.73 H new ATOM 0 HE1 MET A 100 5.647 -1.300 -6.906 1.00 1.24 H new ATOM 0 HE2 MET A 100 4.668 -0.021 -7.662 1.00 1.24 H new ATOM 0 HE3 MET A 100 4.668 -0.213 -5.893 1.00 1.24 H new ATOM 1518 N ALA A 101 0.879 3.501 -5.738 1.00 0.76 N ATOM 1519 CA ALA A 101 0.942 4.911 -6.085 1.00 0.70 C ATOM 1520 C ALA A 101 2.261 5.194 -6.807 1.00 0.90 C ATOM 1521 O ALA A 101 3.223 4.440 -6.670 1.00 1.69 O ATOM 1522 CB ALA A 101 0.776 5.755 -4.820 1.00 0.67 C ATOM 0 H ALA A 101 1.013 3.299 -4.747 1.00 0.76 H new ATOM 0 HA ALA A 101 0.131 5.178 -6.763 1.00 0.70 H new ATOM 0 HB1 ALA A 101 0.823 6.813 -5.079 1.00 0.67 H new ATOM 0 HB2 ALA A 101 -0.188 5.537 -4.361 1.00 0.67 H new ATOM 0 HB3 ALA A 101 1.575 5.518 -4.117 1.00 0.67 H new ATOM 1528 N ASN A 102 2.264 6.285 -7.560 1.00 0.83 N ATOM 1529 CA ASN A 102 3.410 6.620 -8.387 1.00 0.94 C ATOM 1530 C ASN A 102 3.555 8.142 -8.456 1.00 1.06 C ATOM 1531 O ASN A 102 2.618 8.874 -8.142 1.00 1.47 O ATOM 1532 CB ASN A 102 3.232 6.096 -9.813 1.00 1.09 C ATOM 1533 CG ASN A 102 2.035 5.148 -9.905 1.00 1.80 C ATOM 1534 OD1 ASN A 102 0.952 5.514 -10.329 1.00 2.73 O ATOM 1535 ND2 ASN A 102 2.290 3.914 -9.482 1.00 2.70 N ATOM 0 H ASN A 102 1.491 6.948 -7.614 1.00 0.83 H new ATOM 0 HA ASN A 102 4.293 6.161 -7.943 1.00 0.94 H new ATOM 0 HB2 ASN A 102 3.090 6.933 -10.497 1.00 1.09 H new ATOM 0 HB3 ASN A 102 4.137 5.576 -10.129 1.00 1.09 H new ATOM 0 HD21 ASN A 102 1.555 3.207 -9.501 1.00 2.70 H new ATOM 0 HD22 ASN A 102 3.220 3.675 -9.139 1.00 2.70 H new ATOM 1542 N ALA A 103 4.738 8.573 -8.870 1.00 1.00 N ATOM 1543 CA ALA A 103 5.023 9.994 -8.967 1.00 1.19 C ATOM 1544 C ALA A 103 5.641 10.293 -10.335 1.00 1.32 C ATOM 1545 O ALA A 103 6.557 11.108 -10.443 1.00 1.70 O ATOM 1546 CB ALA A 103 5.935 10.412 -7.812 1.00 1.42 C ATOM 0 H ALA A 103 5.509 7.963 -9.142 1.00 1.00 H new ATOM 0 HA ALA A 103 4.105 10.576 -8.885 1.00 1.19 H new ATOM 0 HB1 ALA A 103 6.149 11.478 -7.885 1.00 1.42 H new ATOM 0 HB2 ALA A 103 5.439 10.205 -6.864 1.00 1.42 H new ATOM 0 HB3 ALA A 103 6.868 9.851 -7.863 1.00 1.42 H new ATOM 1552 N GLY A 104 5.115 9.618 -11.347 1.00 1.16 N ATOM 1553 CA GLY A 104 5.564 9.842 -12.710 1.00 1.34 C ATOM 1554 C GLY A 104 5.637 8.526 -13.487 1.00 1.24 C ATOM 1555 O GLY A 104 5.279 7.472 -12.964 1.00 1.11 O ATOM 0 H GLY A 104 4.382 8.916 -11.250 1.00 1.16 H new ATOM 0 HA2 GLY A 104 4.882 10.528 -13.213 1.00 1.34 H new ATOM 0 HA3 GLY A 104 6.545 10.317 -12.700 1.00 1.34 H new ATOM 1559 N PRO A 105 6.114 8.633 -14.756 1.00 1.43 N ATOM 1560 CA PRO A 105 6.230 7.465 -15.613 1.00 1.49 C ATOM 1561 C PRO A 105 7.421 6.600 -15.201 1.00 1.26 C ATOM 1562 O PRO A 105 8.549 7.084 -15.127 1.00 1.22 O ATOM 1563 CB PRO A 105 6.358 8.022 -17.021 1.00 1.85 C ATOM 1564 CG PRO A 105 6.776 9.474 -16.859 1.00 1.93 C ATOM 1565 CD PRO A 105 6.553 9.864 -15.407 1.00 1.70 C ATOM 0 HA PRO A 105 5.369 6.801 -15.539 1.00 1.49 H new ATOM 0 HB2 PRO A 105 7.098 7.465 -17.596 1.00 1.85 H new ATOM 0 HB3 PRO A 105 5.413 7.945 -17.559 1.00 1.85 H new ATOM 0 HG2 PRO A 105 7.823 9.602 -17.132 1.00 1.93 H new ATOM 0 HG3 PRO A 105 6.193 10.115 -17.520 1.00 1.93 H new ATOM 0 HD2 PRO A 105 7.468 10.247 -14.955 1.00 1.70 H new ATOM 0 HD3 PRO A 105 5.801 10.649 -15.319 1.00 1.70 H new ATOM 1573 N ASN A 106 7.131 5.332 -14.943 1.00 1.27 N ATOM 1574 CA ASN A 106 8.169 4.389 -14.562 1.00 1.22 C ATOM 1575 C ASN A 106 8.946 4.946 -13.367 1.00 1.11 C ATOM 1576 O ASN A 106 10.126 4.648 -13.196 1.00 1.15 O ATOM 1577 CB ASN A 106 9.158 4.168 -15.707 1.00 1.31 C ATOM 1578 CG ASN A 106 8.429 3.785 -16.996 1.00 2.46 C ATOM 1579 OD1 ASN A 106 7.313 3.291 -16.985 1.00 3.41 O ATOM 1580 ND2 ASN A 106 9.119 4.041 -18.105 1.00 3.13 N ATOM 0 H ASN A 106 6.192 4.936 -14.990 1.00 1.27 H new ATOM 0 HA ASN A 106 7.689 3.443 -14.311 1.00 1.22 H new ATOM 0 HB2 ASN A 106 9.740 5.075 -15.870 1.00 1.31 H new ATOM 0 HB3 ASN A 106 9.863 3.382 -15.437 1.00 1.31 H new ATOM 0 HD21 ASN A 106 8.718 3.822 -19.017 1.00 3.13 H new ATOM 0 HD22 ASN A 106 10.049 4.456 -18.043 1.00 3.13 H new ATOM 1587 N THR A 107 8.251 5.747 -12.572 1.00 1.22 N ATOM 1588 CA THR A 107 8.853 6.327 -11.384 1.00 1.27 C ATOM 1589 C THR A 107 8.368 5.598 -10.129 1.00 1.34 C ATOM 1590 O THR A 107 8.852 5.859 -9.030 1.00 1.92 O ATOM 1591 CB THR A 107 8.536 7.825 -11.377 1.00 1.30 C ATOM 1592 OG1 THR A 107 9.501 8.388 -12.260 1.00 2.77 O ATOM 1593 CG2 THR A 107 8.837 8.480 -10.028 1.00 1.72 C ATOM 0 H THR A 107 7.277 6.008 -12.728 1.00 1.22 H new ATOM 0 HA THR A 107 9.937 6.208 -11.392 1.00 1.27 H new ATOM 0 HB THR A 107 7.486 7.975 -11.627 1.00 1.30 H new ATOM 0 HG1 THR A 107 9.322 8.086 -13.175 1.00 2.77 H new ATOM 0 HG21 THR A 107 8.595 9.542 -10.077 1.00 1.72 H new ATOM 0 HG22 THR A 107 8.237 8.006 -9.251 1.00 1.72 H new ATOM 0 HG23 THR A 107 9.895 8.360 -9.793 1.00 1.72 H new ATOM 1601 N ASN A 108 7.419 4.698 -10.337 1.00 1.34 N ATOM 1602 CA ASN A 108 6.819 3.974 -9.230 1.00 1.43 C ATOM 1603 C ASN A 108 7.909 3.591 -8.227 1.00 1.50 C ATOM 1604 O ASN A 108 8.784 2.783 -8.535 1.00 1.56 O ATOM 1605 CB ASN A 108 6.148 2.686 -9.712 1.00 1.63 C ATOM 1606 CG ASN A 108 5.180 2.970 -10.864 1.00 2.79 C ATOM 1607 OD1 ASN A 108 5.250 3.991 -11.529 1.00 3.87 O ATOM 1608 ND2 ASN A 108 4.277 2.014 -11.061 1.00 3.56 N ATOM 0 H ASN A 108 7.051 4.454 -11.256 1.00 1.34 H new ATOM 0 HA ASN A 108 6.071 4.620 -8.771 1.00 1.43 H new ATOM 0 HB2 ASN A 108 6.908 1.976 -10.037 1.00 1.63 H new ATOM 0 HB3 ASN A 108 5.610 2.221 -8.886 1.00 1.63 H new ATOM 0 HD21 ASN A 108 3.587 2.110 -11.806 1.00 3.56 H new ATOM 0 HD22 ASN A 108 4.275 1.185 -10.467 1.00 3.56 H new ATOM 1615 N GLY A 109 7.820 4.188 -7.048 1.00 1.85 N ATOM 1616 CA GLY A 109 8.725 3.844 -5.964 1.00 2.15 C ATOM 1617 C GLY A 109 8.365 2.485 -5.360 1.00 1.70 C ATOM 1618 O GLY A 109 8.917 1.460 -5.756 1.00 2.47 O ATOM 0 H GLY A 109 7.135 4.908 -6.819 1.00 1.85 H new ATOM 0 HA2 GLY A 109 9.750 3.821 -6.334 1.00 2.15 H new ATOM 0 HA3 GLY A 109 8.682 4.612 -5.192 1.00 2.15 H new ATOM 1622 N SER A 110 7.440 2.523 -4.412 1.00 1.48 N ATOM 1623 CA SER A 110 6.913 1.298 -3.833 1.00 1.43 C ATOM 1624 C SER A 110 5.599 1.588 -3.104 1.00 1.35 C ATOM 1625 O SER A 110 4.532 1.584 -3.716 1.00 2.68 O ATOM 1626 CB SER A 110 7.923 0.663 -2.875 1.00 1.64 C ATOM 1627 OG SER A 110 8.921 -0.080 -3.568 1.00 2.93 O ATOM 0 H SER A 110 7.042 3.381 -4.031 1.00 1.48 H new ATOM 0 HA SER A 110 6.725 0.590 -4.640 1.00 1.43 H new ATOM 0 HB2 SER A 110 8.399 1.443 -2.281 1.00 1.64 H new ATOM 0 HB3 SER A 110 7.400 0.007 -2.179 1.00 1.64 H new ATOM 0 HG SER A 110 9.570 0.537 -3.966 1.00 2.93 H new ATOM 1633 N GLN A 111 5.720 1.831 -1.807 1.00 1.26 N ATOM 1634 CA GLN A 111 4.548 1.972 -0.959 1.00 1.65 C ATOM 1635 C GLN A 111 3.465 0.977 -1.382 1.00 2.05 C ATOM 1636 O GLN A 111 3.758 -0.029 -2.025 1.00 3.42 O ATOM 1637 CB GLN A 111 4.018 3.407 -0.992 1.00 1.83 C ATOM 1638 CG GLN A 111 3.262 3.682 -2.293 1.00 2.91 C ATOM 1639 CD GLN A 111 2.100 4.651 -2.058 1.00 4.52 C ATOM 1640 OE1 GLN A 111 0.936 4.305 -2.179 1.00 5.80 O ATOM 1641 NE2 GLN A 111 2.479 5.878 -1.715 1.00 5.07 N ATOM 0 H GLN A 111 6.612 1.934 -1.323 1.00 1.26 H new ATOM 0 HA GLN A 111 4.837 1.750 0.068 1.00 1.65 H new ATOM 0 HB2 GLN A 111 3.358 3.574 -0.141 1.00 1.83 H new ATOM 0 HB3 GLN A 111 4.848 4.107 -0.894 1.00 1.83 H new ATOM 0 HG2 GLN A 111 3.945 4.100 -3.033 1.00 2.91 H new ATOM 0 HG3 GLN A 111 2.882 2.746 -2.702 1.00 2.91 H new ATOM 0 HE21 GLN A 111 3.471 6.101 -1.632 1.00 5.07 H new ATOM 0 HE22 GLN A 111 1.778 6.597 -1.535 1.00 5.07 H new ATOM 1650 N PHE A 112 2.236 1.293 -1.003 1.00 1.21 N ATOM 1651 CA PHE A 112 1.081 0.613 -1.563 1.00 1.20 C ATOM 1652 C PHE A 112 -0.208 1.382 -1.267 1.00 0.96 C ATOM 1653 O PHE A 112 -0.222 2.269 -0.414 1.00 1.11 O ATOM 1654 CB PHE A 112 1.005 -0.762 -0.897 1.00 1.48 C ATOM 1655 CG PHE A 112 1.051 -0.716 0.632 1.00 1.86 C ATOM 1656 CD1 PHE A 112 2.248 -0.721 1.277 1.00 2.36 C ATOM 1657 CD2 PHE A 112 -0.106 -0.671 1.346 1.00 2.90 C ATOM 1658 CE1 PHE A 112 2.290 -0.679 2.695 1.00 2.89 C ATOM 1659 CE2 PHE A 112 -0.064 -0.627 2.764 1.00 3.65 C ATOM 1660 CZ PHE A 112 1.134 -0.633 3.409 1.00 3.32 C ATOM 0 H PHE A 112 2.015 2.012 -0.314 1.00 1.21 H new ATOM 0 HA PHE A 112 1.185 0.536 -2.645 1.00 1.20 H new ATOM 0 HB2 PHE A 112 0.084 -1.255 -1.208 1.00 1.48 H new ATOM 0 HB3 PHE A 112 1.831 -1.375 -1.257 1.00 1.48 H new ATOM 0 HD1 PHE A 112 3.167 -0.757 0.710 1.00 2.36 H new ATOM 0 HD2 PHE A 112 -1.057 -0.669 0.834 1.00 2.90 H new ATOM 0 HE1 PHE A 112 3.241 -0.684 3.207 1.00 2.89 H new ATOM 0 HE2 PHE A 112 -0.983 -0.589 3.331 1.00 3.65 H new ATOM 0 HZ PHE A 112 1.167 -0.601 4.488 1.00 3.32 H new ATOM 1670 N PHE A 113 -1.258 1.015 -1.985 1.00 1.03 N ATOM 1671 CA PHE A 113 -2.488 1.788 -1.961 1.00 1.18 C ATOM 1672 C PHE A 113 -3.704 0.878 -1.777 1.00 1.10 C ATOM 1673 O PHE A 113 -4.053 0.113 -2.675 1.00 1.84 O ATOM 1674 CB PHE A 113 -2.597 2.496 -3.313 1.00 1.99 C ATOM 1675 CG PHE A 113 -3.770 3.474 -3.410 1.00 2.39 C ATOM 1676 CD1 PHE A 113 -3.799 4.582 -2.623 1.00 2.63 C ATOM 1677 CD2 PHE A 113 -4.784 3.234 -4.285 1.00 3.95 C ATOM 1678 CE1 PHE A 113 -4.888 5.489 -2.714 1.00 4.18 C ATOM 1679 CE2 PHE A 113 -5.874 4.141 -4.375 1.00 5.10 C ATOM 1680 CZ PHE A 113 -5.902 5.250 -3.588 1.00 5.12 C ATOM 0 H PHE A 113 -1.283 0.192 -2.587 1.00 1.03 H new ATOM 0 HA PHE A 113 -2.467 2.495 -1.131 1.00 1.18 H new ATOM 0 HB2 PHE A 113 -1.670 3.036 -3.505 1.00 1.99 H new ATOM 0 HB3 PHE A 113 -2.697 1.746 -4.098 1.00 1.99 H new ATOM 0 HD1 PHE A 113 -2.994 4.773 -1.929 1.00 2.63 H new ATOM 0 HD2 PHE A 113 -4.760 2.354 -4.911 1.00 3.95 H new ATOM 0 HE1 PHE A 113 -4.911 6.369 -2.089 1.00 4.18 H new ATOM 0 HE2 PHE A 113 -6.680 3.950 -5.068 1.00 5.10 H new ATOM 0 HZ PHE A 113 -6.729 5.941 -3.657 1.00 5.12 H new ATOM 1690 N ILE A 114 -4.315 0.990 -0.606 1.00 0.73 N ATOM 1691 CA ILE A 114 -5.547 0.270 -0.333 1.00 0.70 C ATOM 1692 C ILE A 114 -6.740 1.191 -0.601 1.00 0.67 C ATOM 1693 O ILE A 114 -6.967 2.148 0.137 1.00 1.00 O ATOM 1694 CB ILE A 114 -5.526 -0.312 1.081 1.00 0.79 C ATOM 1695 CG1 ILE A 114 -4.254 -1.130 1.318 1.00 0.90 C ATOM 1696 CG2 ILE A 114 -6.791 -1.127 1.358 1.00 1.00 C ATOM 1697 CD1 ILE A 114 -3.888 -1.155 2.803 1.00 0.95 C ATOM 0 H ILE A 114 -3.979 1.569 0.164 1.00 0.73 H new ATOM 0 HA ILE A 114 -5.645 -0.584 -1.003 1.00 0.70 H new ATOM 0 HB ILE A 114 -5.515 0.515 1.791 1.00 0.79 H new ATOM 0 HG12 ILE A 114 -4.400 -2.149 0.958 1.00 0.90 H new ATOM 0 HG13 ILE A 114 -3.431 -0.704 0.744 1.00 0.90 H new ATOM 0 HG21 ILE A 114 -6.750 -1.529 2.370 1.00 1.00 H new ATOM 0 HG22 ILE A 114 -7.666 -0.485 1.258 1.00 1.00 H new ATOM 0 HG23 ILE A 114 -6.859 -1.948 0.644 1.00 1.00 H new ATOM 0 HD11 ILE A 114 -2.981 -1.743 2.944 1.00 0.95 H new ATOM 0 HD12 ILE A 114 -3.719 -0.137 3.153 1.00 0.95 H new ATOM 0 HD13 ILE A 114 -4.703 -1.604 3.371 1.00 0.95 H new ATOM 1709 N CYS A 115 -7.468 0.869 -1.659 1.00 0.56 N ATOM 1710 CA CYS A 115 -8.626 1.661 -2.040 1.00 0.53 C ATOM 1711 C CYS A 115 -9.842 1.136 -1.273 1.00 0.54 C ATOM 1712 O CYS A 115 -10.139 -0.057 -1.317 1.00 0.74 O ATOM 1713 CB CYS A 115 -8.853 1.640 -3.552 1.00 0.61 C ATOM 1714 SG CYS A 115 -9.420 3.284 -4.123 1.00 2.06 S ATOM 0 H CYS A 115 -7.279 0.071 -2.265 1.00 0.56 H new ATOM 0 HA CYS A 115 -8.456 2.706 -1.779 1.00 0.53 H new ATOM 0 HB2 CYS A 115 -7.930 1.367 -4.063 1.00 0.61 H new ATOM 0 HB3 CYS A 115 -9.594 0.882 -3.806 1.00 0.61 H new ATOM 0 HG CYS A 115 -10.698 3.245 -4.356 1.00 2.06 H new ATOM 1720 N THR A 116 -10.510 2.051 -0.588 1.00 0.46 N ATOM 1721 CA THR A 116 -11.711 1.703 0.154 1.00 0.51 C ATOM 1722 C THR A 116 -12.948 2.291 -0.527 1.00 0.48 C ATOM 1723 O THR A 116 -13.947 2.576 0.133 1.00 0.61 O ATOM 1724 CB THR A 116 -11.528 2.176 1.597 1.00 0.65 C ATOM 1725 OG1 THR A 116 -10.186 1.816 1.914 1.00 1.22 O ATOM 1726 CG2 THR A 116 -12.372 1.372 2.588 1.00 1.27 C ATOM 0 H THR A 116 -10.243 3.034 -0.530 1.00 0.46 H new ATOM 0 HA THR A 116 -11.869 0.625 0.168 1.00 0.51 H new ATOM 0 HB THR A 116 -11.790 3.232 1.668 1.00 0.65 H new ATOM 0 HG1 THR A 116 -9.983 2.088 2.833 1.00 1.22 H new ATOM 0 HG21 THR A 116 -12.205 1.748 3.597 1.00 1.27 H new ATOM 0 HG22 THR A 116 -13.427 1.473 2.333 1.00 1.27 H new ATOM 0 HG23 THR A 116 -12.086 0.321 2.541 1.00 1.27 H new ATOM 1734 N ALA A 117 -12.841 2.457 -1.837 1.00 0.43 N ATOM 1735 CA ALA A 117 -13.939 3.006 -2.614 1.00 0.47 C ATOM 1736 C ALA A 117 -13.604 2.904 -4.103 1.00 0.50 C ATOM 1737 O ALA A 117 -12.529 2.434 -4.471 1.00 0.52 O ATOM 1738 CB ALA A 117 -14.207 4.447 -2.173 1.00 0.57 C ATOM 0 H ALA A 117 -12.010 2.221 -2.380 1.00 0.43 H new ATOM 0 HA ALA A 117 -14.853 2.438 -2.442 1.00 0.47 H new ATOM 0 HB1 ALA A 117 -15.031 4.859 -2.756 1.00 0.57 H new ATOM 0 HB2 ALA A 117 -14.469 4.461 -1.115 1.00 0.57 H new ATOM 0 HB3 ALA A 117 -13.313 5.049 -2.333 1.00 0.57 H new ATOM 1744 N LYS A 118 -14.546 3.354 -4.921 1.00 0.62 N ATOM 1745 CA LYS A 118 -14.381 3.285 -6.363 1.00 0.73 C ATOM 1746 C LYS A 118 -13.614 4.518 -6.843 1.00 0.66 C ATOM 1747 O LYS A 118 -14.062 5.647 -6.649 1.00 0.87 O ATOM 1748 CB LYS A 118 -15.736 3.096 -7.048 1.00 0.98 C ATOM 1749 CG LYS A 118 -15.574 3.014 -8.568 1.00 1.23 C ATOM 1750 CD LYS A 118 -16.930 2.844 -9.255 1.00 1.45 C ATOM 1751 CE LYS A 118 -17.022 3.716 -10.509 1.00 2.34 C ATOM 1752 NZ LYS A 118 -17.220 5.136 -10.140 1.00 3.81 N ATOM 0 H LYS A 118 -15.426 3.768 -4.612 1.00 0.62 H new ATOM 0 HA LYS A 118 -13.787 2.414 -6.639 1.00 0.73 H new ATOM 0 HB2 LYS A 118 -16.210 2.187 -6.679 1.00 0.98 H new ATOM 0 HB3 LYS A 118 -16.396 3.925 -6.793 1.00 0.98 H new ATOM 0 HG2 LYS A 118 -15.087 3.918 -8.935 1.00 1.23 H new ATOM 0 HG3 LYS A 118 -14.925 2.176 -8.824 1.00 1.23 H new ATOM 0 HD2 LYS A 118 -17.077 1.798 -9.523 1.00 1.45 H new ATOM 0 HD3 LYS A 118 -17.729 3.111 -8.563 1.00 1.45 H new ATOM 0 HE2 LYS A 118 -16.112 3.611 -11.100 1.00 2.34 H new ATOM 0 HE3 LYS A 118 -17.848 3.378 -11.134 1.00 2.34 H new ATOM 0 HZ1 LYS A 118 -17.314 5.709 -11.003 1.00 3.81 H new ATOM 0 HZ2 LYS A 118 -18.083 5.229 -9.567 1.00 3.81 H new ATOM 0 HZ3 LYS A 118 -16.402 5.469 -9.591 1.00 3.81 H new ATOM 1766 N THR A 119 -12.471 4.261 -7.463 1.00 0.69 N ATOM 1767 CA THR A 119 -11.673 5.332 -8.033 1.00 0.71 C ATOM 1768 C THR A 119 -11.246 4.978 -9.459 1.00 0.72 C ATOM 1769 O THR A 119 -10.185 4.391 -9.666 1.00 0.73 O ATOM 1770 CB THR A 119 -10.494 5.595 -7.095 1.00 0.85 C ATOM 1771 OG1 THR A 119 -9.824 4.339 -7.019 1.00 1.06 O ATOM 1772 CG2 THR A 119 -10.940 5.866 -5.657 1.00 0.83 C ATOM 0 H THR A 119 -12.079 3.327 -7.583 1.00 0.69 H new ATOM 0 HA THR A 119 -12.251 6.252 -8.118 1.00 0.71 H new ATOM 0 HB THR A 119 -9.919 6.445 -7.464 1.00 0.85 H new ATOM 0 HG1 THR A 119 -9.803 4.035 -6.087 1.00 1.06 H new ATOM 0 HG21 THR A 119 -10.065 6.046 -5.033 1.00 0.83 H new ATOM 0 HG22 THR A 119 -11.588 6.742 -5.636 1.00 0.83 H new ATOM 0 HG23 THR A 119 -11.486 5.003 -5.276 1.00 0.83 H new ATOM 1780 N GLU A 120 -12.095 5.350 -10.407 1.00 0.84 N ATOM 1781 CA GLU A 120 -11.891 4.958 -11.791 1.00 0.96 C ATOM 1782 C GLU A 120 -10.860 5.873 -12.455 1.00 1.02 C ATOM 1783 O GLU A 120 -10.371 5.576 -13.543 1.00 1.19 O ATOM 1784 CB GLU A 120 -13.211 4.967 -12.564 1.00 1.23 C ATOM 1785 CG GLU A 120 -13.854 6.354 -12.533 1.00 1.82 C ATOM 1786 CD GLU A 120 -15.034 6.391 -11.560 1.00 2.35 C ATOM 1787 OE1 GLU A 120 -14.775 6.236 -10.347 1.00 3.36 O ATOM 1788 OE2 GLU A 120 -16.170 6.573 -12.050 1.00 2.88 O ATOM 0 H GLU A 120 -12.926 5.919 -10.243 1.00 0.84 H new ATOM 0 HA GLU A 120 -11.506 3.938 -11.807 1.00 0.96 H new ATOM 0 HB2 GLU A 120 -13.034 4.667 -13.597 1.00 1.23 H new ATOM 0 HB3 GLU A 120 -13.894 4.236 -12.133 1.00 1.23 H new ATOM 0 HG2 GLU A 120 -13.112 7.096 -12.238 1.00 1.82 H new ATOM 0 HG3 GLU A 120 -14.194 6.623 -13.533 1.00 1.82 H new ATOM 1795 N TRP A 121 -10.560 6.968 -11.772 1.00 0.97 N ATOM 1796 CA TRP A 121 -9.639 7.955 -12.307 1.00 1.08 C ATOM 1797 C TRP A 121 -8.231 7.598 -11.825 1.00 0.94 C ATOM 1798 O TRP A 121 -7.270 8.304 -12.126 1.00 1.04 O ATOM 1799 CB TRP A 121 -10.064 9.372 -11.914 1.00 1.16 C ATOM 1800 CG TRP A 121 -9.702 9.754 -10.478 1.00 1.02 C ATOM 1801 CD1 TRP A 121 -8.574 10.328 -10.036 1.00 0.95 C ATOM 1802 CD2 TRP A 121 -10.522 9.567 -9.306 1.00 0.98 C ATOM 1803 NE1 TRP A 121 -8.607 10.522 -8.670 1.00 0.90 N ATOM 1804 CE2 TRP A 121 -9.830 10.046 -8.212 1.00 0.92 C ATOM 1805 CE3 TRP A 121 -11.807 9.012 -9.173 1.00 1.06 C ATOM 1806 CZ2 TRP A 121 -10.341 10.018 -6.909 1.00 0.94 C ATOM 1807 CZ3 TRP A 121 -12.304 8.991 -7.865 1.00 1.05 C ATOM 1808 CH2 TRP A 121 -11.619 9.468 -6.753 1.00 1.01 C ATOM 0 H TRP A 121 -10.939 7.193 -10.852 1.00 0.97 H new ATOM 0 HA TRP A 121 -9.648 7.940 -13.397 1.00 1.08 H new ATOM 0 HB2 TRP A 121 -9.598 10.083 -12.597 1.00 1.16 H new ATOM 0 HB3 TRP A 121 -11.142 9.466 -12.043 1.00 1.16 H new ATOM 0 HD1 TRP A 121 -7.744 10.604 -10.669 1.00 0.95 H new ATOM 0 HE1 TRP A 121 -7.870 10.938 -8.101 1.00 0.90 H new ATOM 0 HE3 TRP A 121 -12.367 8.632 -10.015 1.00 1.06 H new ATOM 0 HZ2 TRP A 121 -9.780 10.400 -6.069 1.00 0.94 H new ATOM 0 HZ3 TRP A 121 -13.288 8.575 -7.708 1.00 1.05 H new ATOM 0 HH2 TRP A 121 -12.071 9.414 -5.773 1.00 1.01 H new ATOM 1819 N LEU A 122 -8.154 6.503 -11.083 1.00 0.78 N ATOM 1820 CA LEU A 122 -6.871 5.987 -10.640 1.00 0.77 C ATOM 1821 C LEU A 122 -6.727 4.532 -11.089 1.00 0.99 C ATOM 1822 O LEU A 122 -5.976 3.765 -10.489 1.00 1.49 O ATOM 1823 CB LEU A 122 -6.706 6.185 -9.131 1.00 0.63 C ATOM 1824 CG LEU A 122 -6.886 7.615 -8.618 1.00 0.69 C ATOM 1825 CD1 LEU A 122 -6.954 7.644 -7.090 1.00 0.85 C ATOM 1826 CD2 LEU A 122 -5.789 8.533 -9.161 1.00 0.81 C ATOM 0 H LEU A 122 -8.961 5.959 -10.777 1.00 0.78 H new ATOM 0 HA LEU A 122 -6.057 6.545 -11.103 1.00 0.77 H new ATOM 0 HB2 LEU A 122 -7.424 5.544 -8.620 1.00 0.63 H new ATOM 0 HB3 LEU A 122 -5.712 5.840 -8.846 1.00 0.63 H new ATOM 0 HG LEU A 122 -7.838 7.995 -8.990 1.00 0.69 H new ATOM 0 HD11 LEU A 122 -7.082 8.672 -6.751 1.00 0.85 H new ATOM 0 HD12 LEU A 122 -7.798 7.043 -6.752 1.00 0.85 H new ATOM 0 HD13 LEU A 122 -6.031 7.238 -6.677 1.00 0.85 H new ATOM 0 HD21 LEU A 122 -5.940 9.544 -8.782 1.00 0.81 H new ATOM 0 HD22 LEU A 122 -4.815 8.166 -8.839 1.00 0.81 H new ATOM 0 HD23 LEU A 122 -5.830 8.544 -10.250 1.00 0.81 H new ATOM 1838 N ASP A 123 -7.458 4.196 -12.141 1.00 1.01 N ATOM 1839 CA ASP A 123 -7.546 2.814 -12.581 1.00 1.11 C ATOM 1840 C ASP A 123 -6.306 2.466 -13.406 1.00 1.71 C ATOM 1841 O ASP A 123 -5.624 1.483 -13.123 1.00 3.05 O ATOM 1842 CB ASP A 123 -8.778 2.593 -13.461 1.00 1.10 C ATOM 1843 CG ASP A 123 -9.006 1.147 -13.903 1.00 1.19 C ATOM 1844 OD1 ASP A 123 -8.169 0.655 -14.689 1.00 2.13 O ATOM 1845 OD2 ASP A 123 -10.014 0.565 -13.444 1.00 1.76 O ATOM 0 H ASP A 123 -7.995 4.857 -12.702 1.00 1.01 H new ATOM 0 HA ASP A 123 -7.618 2.182 -11.696 1.00 1.11 H new ATOM 0 HB2 ASP A 123 -9.659 2.934 -12.918 1.00 1.10 H new ATOM 0 HB3 ASP A 123 -8.688 3.219 -14.349 1.00 1.10 H new ATOM 1850 N GLY A 124 -6.053 3.292 -14.412 1.00 1.46 N ATOM 1851 CA GLY A 124 -5.013 2.993 -15.381 1.00 1.78 C ATOM 1852 C GLY A 124 -3.773 3.855 -15.139 1.00 1.79 C ATOM 1853 O GLY A 124 -3.382 4.643 -15.999 1.00 2.00 O ATOM 0 H GLY A 124 -6.550 4.167 -14.576 1.00 1.46 H new ATOM 0 HA2 GLY A 124 -4.745 1.938 -15.318 1.00 1.78 H new ATOM 0 HA3 GLY A 124 -5.390 3.167 -16.389 1.00 1.78 H new ATOM 1857 N LYS A 125 -3.188 3.677 -13.964 1.00 1.92 N ATOM 1858 CA LYS A 125 -2.043 4.479 -13.567 1.00 1.95 C ATOM 1859 C LYS A 125 -1.344 3.812 -12.382 1.00 1.84 C ATOM 1860 O LYS A 125 -0.131 3.605 -12.408 1.00 2.08 O ATOM 1861 CB LYS A 125 -2.471 5.923 -13.295 1.00 1.91 C ATOM 1862 CG LYS A 125 -1.332 6.899 -13.603 1.00 2.88 C ATOM 1863 CD LYS A 125 -1.274 7.217 -15.099 1.00 3.55 C ATOM 1864 CE LYS A 125 -2.271 8.319 -15.465 1.00 3.82 C ATOM 1865 NZ LYS A 125 -2.300 8.526 -16.930 1.00 5.35 N ATOM 0 H LYS A 125 -3.486 2.988 -13.273 1.00 1.92 H new ATOM 0 HA LYS A 125 -1.316 4.532 -14.377 1.00 1.95 H new ATOM 0 HB2 LYS A 125 -3.341 6.169 -13.904 1.00 1.91 H new ATOM 0 HB3 LYS A 125 -2.772 6.027 -12.253 1.00 1.91 H new ATOM 0 HG2 LYS A 125 -1.474 7.820 -13.037 1.00 2.88 H new ATOM 0 HG3 LYS A 125 -0.383 6.470 -13.281 1.00 2.88 H new ATOM 0 HD2 LYS A 125 -0.265 7.530 -15.369 1.00 3.55 H new ATOM 0 HD3 LYS A 125 -1.493 6.318 -15.674 1.00 3.55 H new ATOM 0 HE2 LYS A 125 -3.266 8.050 -15.110 1.00 3.82 H new ATOM 0 HE3 LYS A 125 -1.995 9.248 -14.966 1.00 3.82 H new ATOM 0 HZ1 LYS A 125 -2.981 9.277 -17.161 1.00 5.35 H new ATOM 0 HZ2 LYS A 125 -1.354 8.804 -17.260 1.00 5.35 H new ATOM 0 HZ3 LYS A 125 -2.585 7.643 -17.400 1.00 5.35 H new ATOM 1879 N HIS A 126 -2.137 3.492 -11.370 1.00 1.58 N ATOM 1880 CA HIS A 126 -1.589 3.129 -10.074 1.00 1.56 C ATOM 1881 C HIS A 126 -1.337 1.621 -10.029 1.00 1.90 C ATOM 1882 O HIS A 126 -0.846 1.100 -9.029 1.00 3.87 O ATOM 1883 CB HIS A 126 -2.498 3.613 -8.943 1.00 1.28 C ATOM 1884 CG HIS A 126 -2.452 5.105 -8.715 1.00 1.11 C ATOM 1885 ND1 HIS A 126 -1.649 5.953 -9.457 1.00 0.95 N ATOM 1886 CD2 HIS A 126 -3.118 5.891 -7.820 1.00 2.10 C ATOM 1887 CE1 HIS A 126 -1.831 7.191 -9.020 1.00 0.76 C ATOM 1888 NE2 HIS A 126 -2.742 7.149 -8.005 1.00 1.66 N ATOM 0 H HIS A 126 -3.156 3.477 -11.421 1.00 1.58 H new ATOM 0 HA HIS A 126 -0.631 3.628 -9.928 1.00 1.56 H new ATOM 0 HB2 HIS A 126 -3.524 3.321 -9.165 1.00 1.28 H new ATOM 0 HB3 HIS A 126 -2.215 3.106 -8.021 1.00 1.28 H new ATOM 0 HD1 HIS A 126 -1.023 5.673 -10.212 1.00 0.95 H new ATOM 0 HD2 HIS A 126 -3.831 5.547 -7.085 1.00 2.10 H new ATOM 0 HE1 HIS A 126 -1.344 8.077 -9.400 1.00 0.76 H new ATOM 1896 N VAL A 127 -1.685 0.962 -11.124 1.00 0.70 N ATOM 1897 CA VAL A 127 -1.461 -0.469 -11.239 1.00 0.64 C ATOM 1898 C VAL A 127 -2.319 -1.201 -10.205 1.00 0.65 C ATOM 1899 O VAL A 127 -2.432 -0.759 -9.063 1.00 0.90 O ATOM 1900 CB VAL A 127 0.031 -0.778 -11.103 1.00 0.76 C ATOM 1901 CG1 VAL A 127 0.285 -2.286 -11.145 1.00 0.77 C ATOM 1902 CG2 VAL A 127 0.841 -0.056 -12.181 1.00 0.91 C ATOM 0 H VAL A 127 -2.121 1.393 -11.940 1.00 0.70 H new ATOM 0 HA VAL A 127 -1.765 -0.824 -12.224 1.00 0.64 H new ATOM 0 HB VAL A 127 0.362 -0.409 -10.132 1.00 0.76 H new ATOM 0 HG11 VAL A 127 1.353 -2.478 -11.046 1.00 0.77 H new ATOM 0 HG12 VAL A 127 -0.247 -2.768 -10.325 1.00 0.77 H new ATOM 0 HG13 VAL A 127 -0.070 -2.688 -12.094 1.00 0.77 H new ATOM 0 HG21 VAL A 127 1.898 -0.293 -12.061 1.00 0.91 H new ATOM 0 HG22 VAL A 127 0.506 -0.380 -13.166 1.00 0.91 H new ATOM 0 HG23 VAL A 127 0.697 1.020 -12.085 1.00 0.91 H new ATOM 1912 N VAL A 128 -2.902 -2.308 -10.642 1.00 0.55 N ATOM 1913 CA VAL A 128 -3.669 -3.154 -9.744 1.00 0.62 C ATOM 1914 C VAL A 128 -3.235 -4.610 -9.928 1.00 0.81 C ATOM 1915 O VAL A 128 -3.364 -5.167 -11.017 1.00 0.94 O ATOM 1916 CB VAL A 128 -5.166 -2.944 -9.977 1.00 0.61 C ATOM 1917 CG1 VAL A 128 -5.993 -3.642 -8.895 1.00 0.79 C ATOM 1918 CG2 VAL A 128 -5.505 -1.453 -10.050 1.00 0.56 C ATOM 0 H VAL A 128 -2.858 -2.638 -11.606 1.00 0.55 H new ATOM 0 HA VAL A 128 -3.474 -2.884 -8.706 1.00 0.62 H new ATOM 0 HB VAL A 128 -5.422 -3.394 -10.936 1.00 0.61 H new ATOM 0 HG11 VAL A 128 -7.054 -3.477 -9.084 1.00 0.79 H new ATOM 0 HG12 VAL A 128 -5.784 -4.712 -8.911 1.00 0.79 H new ATOM 0 HG13 VAL A 128 -5.731 -3.235 -7.918 1.00 0.79 H new ATOM 0 HG21 VAL A 128 -6.575 -1.331 -10.216 1.00 0.56 H new ATOM 0 HG22 VAL A 128 -5.226 -0.970 -9.114 1.00 0.56 H new ATOM 0 HG23 VAL A 128 -4.956 -0.995 -10.872 1.00 0.56 H new ATOM 1928 N PHE A 129 -2.727 -5.184 -8.847 1.00 0.92 N ATOM 1929 CA PHE A 129 -2.251 -6.556 -8.882 1.00 1.17 C ATOM 1930 C PHE A 129 -2.395 -7.221 -7.512 1.00 1.00 C ATOM 1931 O PHE A 129 -1.569 -8.049 -7.130 1.00 1.15 O ATOM 1932 CB PHE A 129 -0.768 -6.506 -9.258 1.00 1.53 C ATOM 1933 CG PHE A 129 -0.508 -6.097 -10.710 1.00 3.71 C ATOM 1934 CD1 PHE A 129 -1.299 -6.581 -11.704 1.00 5.65 C ATOM 1935 CD2 PHE A 129 0.514 -5.248 -11.004 1.00 4.48 C ATOM 1936 CE1 PHE A 129 -1.058 -6.201 -13.051 1.00 7.92 C ATOM 1937 CE2 PHE A 129 0.754 -4.868 -12.351 1.00 6.85 C ATOM 1938 CZ PHE A 129 -0.035 -5.353 -13.346 1.00 8.38 C ATOM 0 H PHE A 129 -2.635 -4.724 -7.942 1.00 0.92 H new ATOM 0 HA PHE A 129 -2.833 -7.134 -9.600 1.00 1.17 H new ATOM 0 HB2 PHE A 129 -0.259 -5.804 -8.597 1.00 1.53 H new ATOM 0 HB3 PHE A 129 -0.326 -7.487 -9.083 1.00 1.53 H new ATOM 0 HD1 PHE A 129 -2.110 -7.254 -11.469 1.00 5.65 H new ATOM 0 HD2 PHE A 129 1.142 -4.864 -10.214 1.00 4.48 H new ATOM 0 HE1 PHE A 129 -1.686 -6.585 -13.841 1.00 7.92 H new ATOM 0 HE2 PHE A 129 1.564 -4.193 -12.585 1.00 6.85 H new ATOM 0 HZ PHE A 129 0.150 -5.066 -14.370 1.00 8.38 H new ATOM 1948 N GLY A 130 -3.449 -6.833 -6.809 1.00 0.80 N ATOM 1949 CA GLY A 130 -3.747 -7.429 -5.517 1.00 0.73 C ATOM 1950 C GLY A 130 -5.089 -6.929 -4.980 1.00 0.61 C ATOM 1951 O GLY A 130 -5.667 -5.988 -5.522 1.00 0.65 O ATOM 0 H GLY A 130 -4.107 -6.114 -7.109 1.00 0.80 H new ATOM 0 HA2 GLY A 130 -3.770 -8.515 -5.610 1.00 0.73 H new ATOM 0 HA3 GLY A 130 -2.955 -7.186 -4.809 1.00 0.73 H new ATOM 1955 N LYS A 131 -5.546 -7.580 -3.920 1.00 0.59 N ATOM 1956 CA LYS A 131 -6.797 -7.197 -3.289 1.00 0.64 C ATOM 1957 C LYS A 131 -6.788 -7.654 -1.828 1.00 0.59 C ATOM 1958 O LYS A 131 -5.943 -8.455 -1.431 1.00 0.73 O ATOM 1959 CB LYS A 131 -7.986 -7.729 -4.092 1.00 0.85 C ATOM 1960 CG LYS A 131 -8.028 -9.257 -4.065 1.00 1.49 C ATOM 1961 CD LYS A 131 -9.438 -9.774 -4.355 1.00 1.55 C ATOM 1962 CE LYS A 131 -9.641 -11.175 -3.774 1.00 2.51 C ATOM 1963 NZ LYS A 131 -9.946 -11.096 -2.328 1.00 3.22 N ATOM 0 H LYS A 131 -5.072 -8.370 -3.483 1.00 0.59 H new ATOM 0 HA LYS A 131 -6.904 -6.112 -3.283 1.00 0.64 H new ATOM 0 HB2 LYS A 131 -8.914 -7.329 -3.682 1.00 0.85 H new ATOM 0 HB3 LYS A 131 -7.917 -7.382 -5.123 1.00 0.85 H new ATOM 0 HG2 LYS A 131 -7.332 -9.656 -4.803 1.00 1.49 H new ATOM 0 HG3 LYS A 131 -7.699 -9.616 -3.090 1.00 1.49 H new ATOM 0 HD2 LYS A 131 -10.174 -9.091 -3.931 1.00 1.55 H new ATOM 0 HD3 LYS A 131 -9.607 -9.795 -5.432 1.00 1.55 H new ATOM 0 HE2 LYS A 131 -10.455 -11.678 -4.297 1.00 2.51 H new ATOM 0 HE3 LYS A 131 -8.744 -11.774 -3.930 1.00 2.51 H new ATOM 0 HZ1 LYS A 131 -9.564 -11.935 -1.846 1.00 3.22 H new ATOM 0 HZ2 LYS A 131 -9.512 -10.240 -1.928 1.00 3.22 H new ATOM 0 HZ3 LYS A 131 -10.976 -11.058 -2.192 1.00 3.22 H new ATOM 1977 N VAL A 132 -7.736 -7.126 -1.070 1.00 0.55 N ATOM 1978 CA VAL A 132 -7.888 -7.519 0.320 1.00 0.54 C ATOM 1979 C VAL A 132 -8.567 -8.888 0.387 1.00 0.60 C ATOM 1980 O VAL A 132 -9.428 -9.199 -0.435 1.00 0.92 O ATOM 1981 CB VAL A 132 -8.648 -6.437 1.090 1.00 0.71 C ATOM 1982 CG1 VAL A 132 -9.009 -6.916 2.498 1.00 0.93 C ATOM 1983 CG2 VAL A 132 -7.845 -5.135 1.143 1.00 0.97 C ATOM 0 H VAL A 132 -8.407 -6.429 -1.392 1.00 0.55 H new ATOM 0 HA VAL A 132 -6.913 -7.615 0.798 1.00 0.54 H new ATOM 0 HB VAL A 132 -9.577 -6.237 0.556 1.00 0.71 H new ATOM 0 HG11 VAL A 132 -9.548 -6.128 3.023 1.00 0.93 H new ATOM 0 HG12 VAL A 132 -9.638 -7.803 2.430 1.00 0.93 H new ATOM 0 HG13 VAL A 132 -8.098 -7.158 3.045 1.00 0.93 H new ATOM 0 HG21 VAL A 132 -8.408 -4.383 1.696 1.00 0.97 H new ATOM 0 HG22 VAL A 132 -6.893 -5.315 1.642 1.00 0.97 H new ATOM 0 HG23 VAL A 132 -7.662 -4.779 0.129 1.00 0.97 H new ATOM 1993 N LYS A 133 -8.155 -9.670 1.374 1.00 0.80 N ATOM 1994 CA LYS A 133 -8.736 -10.986 1.579 1.00 0.91 C ATOM 1995 C LYS A 133 -10.062 -10.843 2.328 1.00 0.90 C ATOM 1996 O LYS A 133 -11.125 -10.796 1.711 1.00 2.02 O ATOM 1997 CB LYS A 133 -7.734 -11.911 2.273 1.00 1.63 C ATOM 1998 CG LYS A 133 -8.359 -13.277 2.565 1.00 1.87 C ATOM 1999 CD LYS A 133 -8.583 -14.064 1.272 1.00 1.72 C ATOM 2000 CE LYS A 133 -9.051 -15.491 1.573 1.00 2.37 C ATOM 2001 NZ LYS A 133 -10.468 -15.492 2.001 1.00 4.20 N ATOM 0 H LYS A 133 -7.426 -9.417 2.041 1.00 0.80 H new ATOM 0 HA LYS A 133 -8.960 -11.457 0.622 1.00 0.91 H new ATOM 0 HB2 LYS A 133 -6.854 -12.037 1.643 1.00 1.63 H new ATOM 0 HB3 LYS A 133 -7.397 -11.455 3.204 1.00 1.63 H new ATOM 0 HG2 LYS A 133 -7.709 -13.843 3.232 1.00 1.87 H new ATOM 0 HG3 LYS A 133 -9.309 -13.143 3.083 1.00 1.87 H new ATOM 0 HD2 LYS A 133 -9.326 -13.556 0.657 1.00 1.72 H new ATOM 0 HD3 LYS A 133 -7.658 -14.095 0.696 1.00 1.72 H new ATOM 0 HE2 LYS A 133 -8.932 -16.114 0.686 1.00 2.37 H new ATOM 0 HE3 LYS A 133 -8.429 -15.927 2.354 1.00 2.37 H new ATOM 0 HZ1 LYS A 133 -10.882 -16.430 1.829 1.00 4.20 H new ATOM 0 HZ2 LYS A 133 -10.524 -15.270 3.015 1.00 4.20 H new ATOM 0 HZ3 LYS A 133 -10.995 -14.777 1.460 1.00 4.20 H new ATOM 2015 N GLU A 134 -9.956 -10.778 3.647 1.00 1.03 N ATOM 2016 CA GLU A 134 -11.138 -10.706 4.490 1.00 1.34 C ATOM 2017 C GLU A 134 -10.836 -9.905 5.758 1.00 1.79 C ATOM 2018 O GLU A 134 -11.054 -10.388 6.868 1.00 3.46 O ATOM 2019 CB GLU A 134 -11.650 -12.106 4.835 1.00 1.85 C ATOM 2020 CG GLU A 134 -12.324 -12.757 3.626 1.00 2.60 C ATOM 2021 CD GLU A 134 -12.869 -14.142 3.981 1.00 3.10 C ATOM 2022 OE1 GLU A 134 -12.074 -15.102 3.899 1.00 3.31 O ATOM 2023 OE2 GLU A 134 -14.068 -14.209 4.325 1.00 3.88 O ATOM 0 H GLU A 134 -9.070 -10.774 4.153 1.00 1.03 H new ATOM 0 HA GLU A 134 -11.925 -10.193 3.938 1.00 1.34 H new ATOM 0 HB2 GLU A 134 -10.820 -12.728 5.172 1.00 1.85 H new ATOM 0 HB3 GLU A 134 -12.358 -12.045 5.661 1.00 1.85 H new ATOM 0 HG2 GLU A 134 -13.137 -12.122 3.273 1.00 2.60 H new ATOM 0 HG3 GLU A 134 -11.608 -12.843 2.809 1.00 2.60 H new ATOM 2030 N GLY A 135 -10.341 -8.694 5.550 1.00 0.93 N ATOM 2031 CA GLY A 135 -9.934 -7.851 6.662 1.00 0.97 C ATOM 2032 C GLY A 135 -10.289 -6.386 6.398 1.00 0.88 C ATOM 2033 O GLY A 135 -9.613 -5.483 6.887 1.00 0.86 O ATOM 0 H GLY A 135 -10.212 -8.276 4.628 1.00 0.93 H new ATOM 0 HA2 GLY A 135 -10.422 -8.188 7.576 1.00 0.97 H new ATOM 0 HA3 GLY A 135 -8.860 -7.946 6.821 1.00 0.97 H new ATOM 2037 N MET A 136 -11.349 -6.197 5.626 1.00 0.95 N ATOM 2038 CA MET A 136 -11.822 -4.858 5.318 1.00 0.99 C ATOM 2039 C MET A 136 -12.282 -4.134 6.586 1.00 0.87 C ATOM 2040 O MET A 136 -12.304 -2.906 6.630 1.00 0.93 O ATOM 2041 CB MET A 136 -12.984 -4.942 4.327 1.00 1.20 C ATOM 2042 CG MET A 136 -12.479 -5.239 2.914 1.00 1.05 C ATOM 2043 SD MET A 136 -11.465 -3.891 2.332 1.00 1.83 S ATOM 2044 CE MET A 136 -12.700 -2.609 2.199 1.00 1.06 C ATOM 0 H MET A 136 -11.894 -6.949 5.204 1.00 0.95 H new ATOM 0 HA MET A 136 -10.999 -4.294 4.879 1.00 0.99 H new ATOM 0 HB2 MET A 136 -13.678 -5.722 4.640 1.00 1.20 H new ATOM 0 HB3 MET A 136 -13.537 -4.003 4.329 1.00 1.20 H new ATOM 0 HG2 MET A 136 -11.904 -6.165 2.912 1.00 1.05 H new ATOM 0 HG3 MET A 136 -13.323 -5.387 2.241 1.00 1.05 H new ATOM 0 HE1 MET A 136 -12.388 -1.879 1.452 1.00 1.06 H new ATOM 0 HE2 MET A 136 -13.651 -3.050 1.900 1.00 1.06 H new ATOM 0 HE3 MET A 136 -12.817 -2.115 3.163 1.00 1.06 H new ATOM 2054 N ASN A 137 -12.638 -4.928 7.585 1.00 0.77 N ATOM 2055 CA ASN A 137 -13.087 -4.378 8.853 1.00 0.75 C ATOM 2056 C ASN A 137 -11.954 -3.564 9.482 1.00 0.59 C ATOM 2057 O ASN A 137 -12.193 -2.504 10.059 1.00 0.59 O ATOM 2058 CB ASN A 137 -13.470 -5.491 9.831 1.00 0.80 C ATOM 2059 CG ASN A 137 -13.760 -4.922 11.221 1.00 1.97 C ATOM 2060 OD1 ASN A 137 -13.054 -5.174 12.184 1.00 3.23 O ATOM 2061 ND2 ASN A 137 -14.838 -4.144 11.273 1.00 3.12 N ATOM 0 H ASN A 137 -12.625 -5.947 7.542 1.00 0.77 H new ATOM 0 HA ASN A 137 -13.958 -3.752 8.659 1.00 0.75 H new ATOM 0 HB2 ASN A 137 -14.348 -6.020 9.460 1.00 0.80 H new ATOM 0 HB3 ASN A 137 -12.662 -6.219 9.893 1.00 0.80 H new ATOM 0 HD21 ASN A 137 -15.117 -3.718 12.157 1.00 3.12 H new ATOM 0 HD22 ASN A 137 -15.385 -3.974 10.429 1.00 3.12 H new ATOM 2068 N ILE A 138 -10.746 -4.091 9.349 1.00 0.54 N ATOM 2069 CA ILE A 138 -9.580 -3.445 9.928 1.00 0.54 C ATOM 2070 C ILE A 138 -9.202 -2.229 9.079 1.00 0.64 C ATOM 2071 O ILE A 138 -8.745 -1.217 9.608 1.00 0.70 O ATOM 2072 CB ILE A 138 -8.441 -4.452 10.102 1.00 0.54 C ATOM 2073 CG1 ILE A 138 -8.680 -5.346 11.321 1.00 0.75 C ATOM 2074 CG2 ILE A 138 -7.088 -3.742 10.168 1.00 0.82 C ATOM 2075 CD1 ILE A 138 -9.914 -6.229 11.119 1.00 1.29 C ATOM 0 H ILE A 138 -10.549 -4.958 8.849 1.00 0.54 H new ATOM 0 HA ILE A 138 -9.805 -3.078 10.929 1.00 0.54 H new ATOM 0 HB ILE A 138 -8.422 -5.101 9.227 1.00 0.54 H new ATOM 0 HG12 ILE A 138 -7.805 -5.972 11.495 1.00 0.75 H new ATOM 0 HG13 ILE A 138 -8.812 -4.728 12.209 1.00 0.75 H new ATOM 0 HG21 ILE A 138 -6.295 -4.480 10.292 1.00 0.82 H new ATOM 0 HG22 ILE A 138 -6.924 -3.185 9.246 1.00 0.82 H new ATOM 0 HG23 ILE A 138 -7.079 -3.054 11.014 1.00 0.82 H new ATOM 0 HD11 ILE A 138 -10.062 -6.855 11.999 1.00 1.29 H new ATOM 0 HD12 ILE A 138 -10.791 -5.600 10.970 1.00 1.29 H new ATOM 0 HD13 ILE A 138 -9.769 -6.863 10.244 1.00 1.29 H new ATOM 2087 N VAL A 139 -9.407 -2.370 7.778 1.00 0.71 N ATOM 2088 CA VAL A 139 -9.149 -1.275 6.858 1.00 0.84 C ATOM 2089 C VAL A 139 -10.121 -0.129 7.149 1.00 0.82 C ATOM 2090 O VAL A 139 -9.740 1.039 7.100 1.00 0.91 O ATOM 2091 CB VAL A 139 -9.231 -1.775 5.414 1.00 0.99 C ATOM 2092 CG1 VAL A 139 -9.195 -0.607 4.426 1.00 1.17 C ATOM 2093 CG2 VAL A 139 -8.115 -2.779 5.117 1.00 1.06 C ATOM 0 H VAL A 139 -9.749 -3.225 7.339 1.00 0.71 H new ATOM 0 HA VAL A 139 -8.139 -0.889 6.998 1.00 0.84 H new ATOM 0 HB VAL A 139 -10.185 -2.288 5.291 1.00 0.99 H new ATOM 0 HG11 VAL A 139 -9.255 -0.990 3.407 1.00 1.17 H new ATOM 0 HG12 VAL A 139 -10.040 0.055 4.615 1.00 1.17 H new ATOM 0 HG13 VAL A 139 -8.265 -0.053 4.551 1.00 1.17 H new ATOM 0 HG21 VAL A 139 -8.196 -3.119 4.084 1.00 1.06 H new ATOM 0 HG22 VAL A 139 -7.147 -2.302 5.267 1.00 1.06 H new ATOM 0 HG23 VAL A 139 -8.206 -3.633 5.788 1.00 1.06 H new ATOM 2103 N GLU A 140 -11.356 -0.504 7.447 1.00 0.76 N ATOM 2104 CA GLU A 140 -12.390 0.477 7.724 1.00 0.79 C ATOM 2105 C GLU A 140 -12.185 1.087 9.113 1.00 0.79 C ATOM 2106 O GLU A 140 -12.499 2.256 9.334 1.00 0.89 O ATOM 2107 CB GLU A 140 -13.783 -0.143 7.599 1.00 0.84 C ATOM 2108 CG GLU A 140 -14.835 0.928 7.298 1.00 0.98 C ATOM 2109 CD GLU A 140 -14.622 1.529 5.908 1.00 2.23 C ATOM 2110 OE1 GLU A 140 -14.423 0.730 4.968 1.00 3.36 O ATOM 2111 OE2 GLU A 140 -14.666 2.775 5.816 1.00 3.46 O ATOM 0 H GLU A 140 -11.664 -1.475 7.503 1.00 0.76 H new ATOM 0 HA GLU A 140 -12.315 1.273 6.983 1.00 0.79 H new ATOM 0 HB2 GLU A 140 -13.782 -0.890 6.806 1.00 0.84 H new ATOM 0 HB3 GLU A 140 -14.039 -0.660 8.524 1.00 0.84 H new ATOM 0 HG2 GLU A 140 -15.832 0.492 7.361 1.00 0.98 H new ATOM 0 HG3 GLU A 140 -14.784 1.715 8.050 1.00 0.98 H new ATOM 2118 N ALA A 141 -11.658 0.269 10.012 1.00 0.73 N ATOM 2119 CA ALA A 141 -11.422 0.709 11.376 1.00 0.77 C ATOM 2120 C ALA A 141 -10.400 1.846 11.373 1.00 0.76 C ATOM 2121 O ALA A 141 -10.695 2.953 11.822 1.00 0.89 O ATOM 2122 CB ALA A 141 -10.966 -0.481 12.224 1.00 0.80 C ATOM 0 H ALA A 141 -11.388 -0.696 9.822 1.00 0.73 H new ATOM 0 HA ALA A 141 -12.341 1.094 11.818 1.00 0.77 H new ATOM 0 HB1 ALA A 141 -10.789 -0.152 13.248 1.00 0.80 H new ATOM 0 HB2 ALA A 141 -11.739 -1.249 12.219 1.00 0.80 H new ATOM 0 HB3 ALA A 141 -10.045 -0.891 11.810 1.00 0.80 H new ATOM 2128 N MET A 142 -9.217 1.536 10.859 1.00 0.74 N ATOM 2129 CA MET A 142 -8.113 2.479 10.899 1.00 0.80 C ATOM 2130 C MET A 142 -8.446 3.747 10.110 1.00 0.74 C ATOM 2131 O MET A 142 -7.852 4.799 10.339 1.00 0.78 O ATOM 2132 CB MET A 142 -6.862 1.826 10.312 1.00 0.96 C ATOM 2133 CG MET A 142 -7.018 1.593 8.808 1.00 1.73 C ATOM 2134 SD MET A 142 -5.872 0.338 8.262 1.00 2.04 S ATOM 2135 CE MET A 142 -5.871 0.664 6.506 1.00 2.44 C ATOM 0 H MET A 142 -9.000 0.645 10.413 1.00 0.74 H new ATOM 0 HA MET A 142 -7.935 2.757 11.938 1.00 0.80 H new ATOM 0 HB2 MET A 142 -5.995 2.461 10.497 1.00 0.96 H new ATOM 0 HB3 MET A 142 -6.674 0.876 10.813 1.00 0.96 H new ATOM 0 HG2 MET A 142 -8.040 1.287 8.583 1.00 1.73 H new ATOM 0 HG3 MET A 142 -6.837 2.522 8.267 1.00 1.73 H new ATOM 0 HE1 MET A 142 -5.913 -0.279 5.961 1.00 2.44 H new ATOM 0 HE2 MET A 142 -6.739 1.271 6.248 1.00 2.44 H new ATOM 0 HE3 MET A 142 -4.961 1.199 6.236 1.00 2.44 H new ATOM 2145 N GLU A 143 -9.394 3.604 9.196 1.00 0.76 N ATOM 2146 CA GLU A 143 -9.863 4.741 8.422 1.00 0.80 C ATOM 2147 C GLU A 143 -10.507 5.781 9.341 1.00 0.80 C ATOM 2148 O GLU A 143 -10.333 6.982 9.143 1.00 0.87 O ATOM 2149 CB GLU A 143 -10.839 4.296 7.330 1.00 0.97 C ATOM 2150 CG GLU A 143 -10.088 3.798 6.093 1.00 1.60 C ATOM 2151 CD GLU A 143 -9.907 4.921 5.072 1.00 2.06 C ATOM 2152 OE1 GLU A 143 -10.839 5.105 4.259 1.00 2.19 O ATOM 2153 OE2 GLU A 143 -8.842 5.573 5.127 1.00 3.55 O ATOM 0 H GLU A 143 -9.850 2.719 8.974 1.00 0.76 H new ATOM 0 HA GLU A 143 -9.004 5.200 7.932 1.00 0.80 H new ATOM 0 HB2 GLU A 143 -11.482 3.504 7.713 1.00 0.97 H new ATOM 0 HB3 GLU A 143 -11.487 5.128 7.056 1.00 0.97 H new ATOM 0 HG2 GLU A 143 -9.113 3.409 6.387 1.00 1.60 H new ATOM 0 HG3 GLU A 143 -10.636 2.973 5.638 1.00 1.60 H new ATOM 2160 N ARG A 144 -11.238 5.280 10.327 1.00 0.86 N ATOM 2161 CA ARG A 144 -11.998 6.149 11.209 1.00 1.00 C ATOM 2162 C ARG A 144 -11.073 6.800 12.240 1.00 1.01 C ATOM 2163 O ARG A 144 -11.372 7.875 12.756 1.00 1.17 O ATOM 2164 CB ARG A 144 -13.093 5.369 11.940 1.00 1.24 C ATOM 2165 CG ARG A 144 -14.052 4.709 10.946 1.00 1.94 C ATOM 2166 CD ARG A 144 -14.946 5.751 10.272 1.00 3.16 C ATOM 2167 NE ARG A 144 -15.907 5.084 9.365 1.00 4.22 N ATOM 2168 CZ ARG A 144 -15.570 4.523 8.195 1.00 5.53 C ATOM 2169 NH1 ARG A 144 -14.312 4.619 7.744 1.00 6.09 N ATOM 2170 NH2 ARG A 144 -16.491 3.866 7.478 1.00 6.82 N ATOM 0 H ARG A 144 -11.320 4.285 10.534 1.00 0.86 H new ATOM 0 HA ARG A 144 -12.463 6.920 10.594 1.00 1.00 H new ATOM 0 HB2 ARG A 144 -12.640 4.607 12.575 1.00 1.24 H new ATOM 0 HB3 ARG A 144 -13.648 6.041 12.595 1.00 1.24 H new ATOM 0 HG2 ARG A 144 -13.482 4.169 10.189 1.00 1.94 H new ATOM 0 HG3 ARG A 144 -14.670 3.975 11.464 1.00 1.94 H new ATOM 0 HD2 ARG A 144 -15.484 6.324 11.027 1.00 3.16 H new ATOM 0 HD3 ARG A 144 -14.335 6.458 9.711 1.00 3.16 H new ATOM 0 HE ARG A 144 -16.886 5.049 9.648 1.00 4.22 H new ATOM 0 HH11 ARG A 144 -13.611 5.119 8.291 1.00 6.09 H new ATOM 0 HH12 ARG A 144 -14.055 4.192 6.854 1.00 6.09 H new ATOM 0 HH21 ARG A 144 -17.448 3.793 7.822 1.00 6.82 H new ATOM 0 HH22 ARG A 144 -16.235 3.439 6.588 1.00 6.82 H new ATOM 2184 N PHE A 145 -9.968 6.121 12.508 1.00 1.06 N ATOM 2185 CA PHE A 145 -8.970 6.647 13.425 1.00 1.21 C ATOM 2186 C PHE A 145 -8.167 7.775 12.772 1.00 1.17 C ATOM 2187 O PHE A 145 -7.470 8.521 13.457 1.00 1.32 O ATOM 2188 CB PHE A 145 -8.024 5.495 13.765 1.00 1.30 C ATOM 2189 CG PHE A 145 -8.462 4.667 14.974 1.00 1.60 C ATOM 2190 CD1 PHE A 145 -8.197 5.108 16.234 1.00 2.36 C ATOM 2191 CD2 PHE A 145 -9.116 3.489 14.791 1.00 2.48 C ATOM 2192 CE1 PHE A 145 -8.604 4.340 17.356 1.00 2.72 C ATOM 2193 CE2 PHE A 145 -9.523 2.720 15.914 1.00 2.79 C ATOM 2194 CZ PHE A 145 -9.259 3.161 17.172 1.00 2.44 C ATOM 0 H PHE A 145 -9.741 5.211 12.107 1.00 1.06 H new ATOM 0 HA PHE A 145 -9.456 7.050 14.314 1.00 1.21 H new ATOM 0 HB2 PHE A 145 -7.941 4.839 12.899 1.00 1.30 H new ATOM 0 HB3 PHE A 145 -7.030 5.899 13.955 1.00 1.30 H new ATOM 0 HD1 PHE A 145 -7.677 6.043 16.380 1.00 2.36 H new ATOM 0 HD2 PHE A 145 -9.326 3.138 13.792 1.00 2.48 H new ATOM 0 HE1 PHE A 145 -8.394 4.691 18.356 1.00 2.72 H new ATOM 0 HE2 PHE A 145 -10.042 1.784 15.768 1.00 2.79 H new ATOM 0 HZ PHE A 145 -9.569 2.576 18.026 1.00 2.44 H new ATOM 2204 N GLY A 146 -8.292 7.862 11.456 1.00 1.12 N ATOM 2205 CA GLY A 146 -7.681 8.954 10.717 1.00 1.10 C ATOM 2206 C GLY A 146 -8.614 10.164 10.654 1.00 1.11 C ATOM 2207 O GLY A 146 -9.512 10.304 11.483 1.00 1.62 O ATOM 0 H GLY A 146 -8.807 7.194 10.882 1.00 1.12 H new ATOM 0 HA2 GLY A 146 -6.742 9.239 11.192 1.00 1.10 H new ATOM 0 HA3 GLY A 146 -7.440 8.624 9.707 1.00 1.10 H new ATOM 2211 N SER A 147 -8.371 11.007 9.661 1.00 0.94 N ATOM 2212 CA SER A 147 -9.174 12.206 9.484 1.00 1.07 C ATOM 2213 C SER A 147 -9.049 12.711 8.045 1.00 1.35 C ATOM 2214 O SER A 147 -8.144 12.306 7.318 1.00 2.28 O ATOM 2215 CB SER A 147 -8.754 13.300 10.469 1.00 1.53 C ATOM 2216 OG SER A 147 -7.422 13.744 10.237 1.00 3.07 O ATOM 0 H SER A 147 -7.630 10.884 8.971 1.00 0.94 H new ATOM 0 HA SER A 147 -10.215 11.954 9.685 1.00 1.07 H new ATOM 0 HB2 SER A 147 -9.437 14.145 10.385 1.00 1.53 H new ATOM 0 HB3 SER A 147 -8.838 12.922 11.488 1.00 1.53 H new ATOM 0 HG SER A 147 -6.795 13.022 10.450 1.00 3.07 H new ATOM 2222 N ARG A 148 -9.971 13.589 7.678 1.00 1.74 N ATOM 2223 CA ARG A 148 -10.051 14.062 6.307 1.00 2.40 C ATOM 2224 C ARG A 148 -9.108 15.250 6.100 1.00 2.31 C ATOM 2225 O ARG A 148 -8.828 15.634 4.966 1.00 2.55 O ATOM 2226 CB ARG A 148 -11.477 14.485 5.951 1.00 3.39 C ATOM 2227 CG ARG A 148 -11.621 14.718 4.446 1.00 4.65 C ATOM 2228 CD ARG A 148 -13.093 14.720 4.030 1.00 5.81 C ATOM 2229 NE ARG A 148 -13.254 14.020 2.736 1.00 7.55 N ATOM 2230 CZ ARG A 148 -13.378 12.692 2.611 1.00 8.83 C ATOM 2231 NH1 ARG A 148 -13.204 11.899 3.677 1.00 8.78 N ATOM 2232 NH2 ARG A 148 -13.674 12.156 1.418 1.00 10.60 N ATOM 0 H ARG A 148 -10.669 13.985 8.307 1.00 1.74 H new ATOM 0 HA ARG A 148 -9.755 13.240 5.656 1.00 2.40 H new ATOM 0 HB2 ARG A 148 -12.179 13.716 6.272 1.00 3.39 H new ATOM 0 HB3 ARG A 148 -11.735 15.397 6.490 1.00 3.39 H new ATOM 0 HG2 ARG A 148 -11.162 15.669 4.176 1.00 4.65 H new ATOM 0 HG3 ARG A 148 -11.086 13.940 3.901 1.00 4.65 H new ATOM 0 HD2 ARG A 148 -13.696 14.231 4.795 1.00 5.81 H new ATOM 0 HD3 ARG A 148 -13.454 15.745 3.946 1.00 5.81 H new ATOM 0 HE ARG A 148 -13.272 14.584 1.886 1.00 7.55 H new ATOM 0 HH11 ARG A 148 -12.977 12.306 4.584 1.00 8.78 H new ATOM 0 HH12 ARG A 148 -13.299 10.888 3.581 1.00 8.78 H new ATOM 0 HH21 ARG A 148 -13.805 12.759 0.606 1.00 10.60 H new ATOM 0 HH22 ARG A 148 -13.768 11.145 1.322 1.00 10.60 H new ATOM 2246 N ASN A 149 -8.644 15.796 7.213 1.00 2.29 N ATOM 2247 CA ASN A 149 -7.815 16.990 7.172 1.00 2.70 C ATOM 2248 C ASN A 149 -6.372 16.593 6.855 1.00 2.45 C ATOM 2249 O ASN A 149 -5.590 17.412 6.375 1.00 3.03 O ATOM 2250 CB ASN A 149 -7.822 17.712 8.521 1.00 3.23 C ATOM 2251 CG ASN A 149 -7.525 16.740 9.665 1.00 3.03 C ATOM 2252 OD1 ASN A 149 -8.411 16.271 10.360 1.00 3.85 O ATOM 2253 ND2 ASN A 149 -6.233 16.465 9.820 1.00 2.61 N ATOM 0 H ASN A 149 -8.826 15.435 8.149 1.00 2.29 H new ATOM 0 HA ASN A 149 -8.217 17.653 6.406 1.00 2.70 H new ATOM 0 HB2 ASN A 149 -7.079 18.509 8.515 1.00 3.23 H new ATOM 0 HB3 ASN A 149 -8.792 18.182 8.681 1.00 3.23 H new ATOM 0 HD21 ASN A 149 -5.932 15.826 10.556 1.00 2.61 H new ATOM 0 HD22 ASN A 149 -5.543 16.893 9.203 1.00 2.61 H new ATOM 2260 N GLY A 150 -6.062 15.336 7.137 1.00 1.85 N ATOM 2261 CA GLY A 150 -4.761 14.790 6.789 1.00 2.00 C ATOM 2262 C GLY A 150 -4.275 13.808 7.857 1.00 1.74 C ATOM 2263 O GLY A 150 -3.419 14.146 8.673 1.00 2.82 O ATOM 0 H GLY A 150 -6.689 14.680 7.602 1.00 1.85 H new ATOM 0 HA2 GLY A 150 -4.821 14.284 5.825 1.00 2.00 H new ATOM 0 HA3 GLY A 150 -4.040 15.600 6.680 1.00 2.00 H new ATOM 2267 N LYS A 151 -4.843 12.611 7.818 1.00 1.57 N ATOM 2268 CA LYS A 151 -4.247 11.477 8.503 1.00 1.91 C ATOM 2269 C LYS A 151 -4.537 11.584 10.001 1.00 1.34 C ATOM 2270 O LYS A 151 -4.983 12.625 10.479 1.00 1.73 O ATOM 2271 CB LYS A 151 -2.757 11.372 8.170 1.00 2.79 C ATOM 2272 CG LYS A 151 -1.898 11.735 9.383 1.00 2.47 C ATOM 2273 CD LYS A 151 -0.449 11.999 8.969 1.00 3.21 C ATOM 2274 CE LYS A 151 0.281 12.831 10.025 1.00 3.14 C ATOM 2275 NZ LYS A 151 0.068 12.257 11.373 1.00 4.05 N ATOM 0 H LYS A 151 -5.710 12.402 7.322 1.00 1.57 H new ATOM 0 HA LYS A 151 -4.693 10.544 8.157 1.00 1.91 H new ATOM 0 HB2 LYS A 151 -2.524 10.358 7.845 1.00 2.79 H new ATOM 0 HB3 LYS A 151 -2.519 12.036 7.339 1.00 2.79 H new ATOM 0 HG2 LYS A 151 -2.307 12.619 9.872 1.00 2.47 H new ATOM 0 HG3 LYS A 151 -1.930 10.925 10.111 1.00 2.47 H new ATOM 0 HD2 LYS A 151 0.070 11.051 8.825 1.00 3.21 H new ATOM 0 HD3 LYS A 151 -0.430 12.521 8.013 1.00 3.21 H new ATOM 0 HE2 LYS A 151 1.347 12.861 9.800 1.00 3.14 H new ATOM 0 HE3 LYS A 151 -0.079 13.859 10.000 1.00 3.14 H new ATOM 0 HZ1 LYS A 151 0.688 12.737 12.057 1.00 4.05 H new ATOM 0 HZ2 LYS A 151 -0.925 12.389 11.654 1.00 4.05 H new ATOM 0 HZ3 LYS A 151 0.291 11.241 11.357 1.00 4.05 H new ATOM 2289 N THR A 152 -4.270 10.491 10.702 1.00 1.27 N ATOM 2290 CA THR A 152 -4.464 10.458 12.141 1.00 1.23 C ATOM 2291 C THR A 152 -3.458 11.378 12.837 1.00 1.76 C ATOM 2292 O THR A 152 -2.717 12.104 12.176 1.00 2.32 O ATOM 2293 CB THR A 152 -4.372 9.001 12.599 1.00 1.61 C ATOM 2294 OG1 THR A 152 -4.735 9.046 13.976 1.00 2.99 O ATOM 2295 CG2 THR A 152 -2.932 8.481 12.609 1.00 1.99 C ATOM 0 H THR A 152 -3.921 9.622 10.299 1.00 1.27 H new ATOM 0 HA THR A 152 -5.448 10.838 12.415 1.00 1.23 H new ATOM 0 HB THR A 152 -4.979 8.376 11.945 1.00 1.61 H new ATOM 0 HG1 THR A 152 -5.695 8.869 14.067 1.00 2.99 H new ATOM 0 HG21 THR A 152 -2.922 7.443 12.941 1.00 1.99 H new ATOM 0 HG22 THR A 152 -2.515 8.544 11.604 1.00 1.99 H new ATOM 0 HG23 THR A 152 -2.332 9.085 13.289 1.00 1.99 H new ATOM 2303 N SER A 153 -3.466 11.318 14.160 1.00 2.20 N ATOM 2304 CA SER A 153 -2.655 12.224 14.954 1.00 3.10 C ATOM 2305 C SER A 153 -2.218 11.537 16.250 1.00 2.55 C ATOM 2306 O SER A 153 -2.414 12.075 17.339 1.00 2.82 O ATOM 2307 CB SER A 153 -3.416 13.513 15.269 1.00 4.26 C ATOM 2308 OG SER A 153 -4.675 13.254 15.884 1.00 4.12 O ATOM 0 H SER A 153 -4.021 10.656 14.702 1.00 2.20 H new ATOM 0 HA SER A 153 -1.771 12.488 14.373 1.00 3.10 H new ATOM 0 HB2 SER A 153 -2.813 14.138 15.927 1.00 4.26 H new ATOM 0 HB3 SER A 153 -3.571 14.076 14.349 1.00 4.26 H new ATOM 0 HG SER A 153 -4.840 13.920 16.584 1.00 4.12 H new ATOM 2314 N LYS A 154 -1.635 10.358 16.089 1.00 2.11 N ATOM 2315 CA LYS A 154 -1.062 9.647 17.219 1.00 1.85 C ATOM 2316 C LYS A 154 0.272 9.025 16.801 1.00 1.96 C ATOM 2317 O LYS A 154 1.280 9.722 16.696 1.00 2.43 O ATOM 2318 CB LYS A 154 -2.063 8.634 17.778 1.00 1.65 C ATOM 2319 CG LYS A 154 -3.170 9.337 18.568 1.00 2.21 C ATOM 2320 CD LYS A 154 -4.441 9.474 17.727 1.00 2.76 C ATOM 2321 CE LYS A 154 -5.397 10.498 18.342 1.00 3.53 C ATOM 2322 NZ LYS A 154 -4.949 11.875 18.038 1.00 5.39 N ATOM 0 H LYS A 154 -1.547 9.878 15.193 1.00 2.11 H new ATOM 0 HA LYS A 154 -0.851 10.337 18.036 1.00 1.85 H new ATOM 0 HB2 LYS A 154 -2.502 8.062 16.961 1.00 1.65 H new ATOM 0 HB3 LYS A 154 -1.546 7.924 18.423 1.00 1.65 H new ATOM 0 HG2 LYS A 154 -3.389 8.773 19.475 1.00 2.21 H new ATOM 0 HG3 LYS A 154 -2.828 10.324 18.881 1.00 2.21 H new ATOM 0 HD2 LYS A 154 -4.180 9.778 16.713 1.00 2.76 H new ATOM 0 HD3 LYS A 154 -4.938 8.507 17.652 1.00 2.76 H new ATOM 0 HE2 LYS A 154 -6.404 10.343 17.954 1.00 3.53 H new ATOM 0 HE3 LYS A 154 -5.446 10.356 19.422 1.00 3.53 H new ATOM 0 HZ1 LYS A 154 -5.380 12.537 18.714 1.00 5.39 H new ATOM 0 HZ2 LYS A 154 -3.913 11.928 18.114 1.00 5.39 H new ATOM 0 HZ3 LYS A 154 -5.239 12.129 17.072 1.00 5.39 H new ATOM 2336 N LYS A 155 0.236 7.720 16.576 1.00 1.66 N ATOM 2337 CA LYS A 155 1.436 6.991 16.202 1.00 1.75 C ATOM 2338 C LYS A 155 1.046 5.606 15.681 1.00 1.66 C ATOM 2339 O LYS A 155 1.286 4.599 16.345 1.00 2.25 O ATOM 2340 CB LYS A 155 2.424 6.952 17.371 1.00 1.80 C ATOM 2341 CG LYS A 155 1.808 6.256 18.587 1.00 2.87 C ATOM 2342 CD LYS A 155 2.232 6.945 19.886 1.00 3.39 C ATOM 2343 CE LYS A 155 3.721 6.730 20.159 1.00 4.00 C ATOM 2344 NZ LYS A 155 3.996 5.304 20.442 1.00 5.02 N ATOM 0 H LYS A 155 -0.606 7.148 16.646 1.00 1.66 H new ATOM 0 HA LYS A 155 1.955 7.502 15.391 1.00 1.75 H new ATOM 0 HB2 LYS A 155 3.331 6.428 17.068 1.00 1.80 H new ATOM 0 HB3 LYS A 155 2.717 7.967 17.638 1.00 1.80 H new ATOM 0 HG2 LYS A 155 0.721 6.265 18.504 1.00 2.87 H new ATOM 0 HG3 LYS A 155 2.117 5.211 18.608 1.00 2.87 H new ATOM 0 HD2 LYS A 155 2.021 8.012 19.821 1.00 3.39 H new ATOM 0 HD3 LYS A 155 1.646 6.554 20.718 1.00 3.39 H new ATOM 0 HE2 LYS A 155 4.305 7.055 19.298 1.00 4.00 H new ATOM 0 HE3 LYS A 155 4.033 7.342 21.005 1.00 4.00 H new ATOM 0 HZ1 LYS A 155 4.910 5.217 20.930 1.00 5.02 H new ATOM 0 HZ2 LYS A 155 3.243 4.919 21.047 1.00 5.02 H new ATOM 0 HZ3 LYS A 155 4.028 4.773 19.549 1.00 5.02 H new ATOM 2358 N ILE A 156 0.451 5.602 14.498 1.00 1.13 N ATOM 2359 CA ILE A 156 0.070 4.355 13.855 1.00 1.02 C ATOM 2360 C ILE A 156 1.319 3.676 13.290 1.00 0.96 C ATOM 2361 O ILE A 156 2.106 4.305 12.584 1.00 1.18 O ATOM 2362 CB ILE A 156 -1.023 4.600 12.814 1.00 1.08 C ATOM 2363 CG1 ILE A 156 -1.754 3.300 12.469 1.00 2.09 C ATOM 2364 CG2 ILE A 156 -0.450 5.282 11.569 1.00 2.53 C ATOM 2365 CD1 ILE A 156 -3.048 3.585 11.704 1.00 1.86 C ATOM 0 H ILE A 156 0.223 6.442 13.967 1.00 1.13 H new ATOM 0 HA ILE A 156 -0.365 3.669 14.582 1.00 1.02 H new ATOM 0 HB ILE A 156 -1.759 5.279 13.245 1.00 1.08 H new ATOM 0 HG12 ILE A 156 -1.105 2.662 11.869 1.00 2.09 H new ATOM 0 HG13 ILE A 156 -1.981 2.753 13.384 1.00 2.09 H new ATOM 0 HG21 ILE A 156 -1.247 5.445 10.844 1.00 2.53 H new ATOM 0 HG22 ILE A 156 -0.012 6.240 11.848 1.00 2.53 H new ATOM 0 HG23 ILE A 156 0.318 4.647 11.127 1.00 2.53 H new ATOM 0 HD11 ILE A 156 -3.548 2.645 11.471 1.00 1.86 H new ATOM 0 HD12 ILE A 156 -3.704 4.203 12.317 1.00 1.86 H new ATOM 0 HD13 ILE A 156 -2.815 4.111 10.778 1.00 1.86 H new ATOM 2377 N THR A 157 1.461 2.400 13.621 1.00 0.83 N ATOM 2378 CA THR A 157 2.637 1.648 13.214 1.00 0.90 C ATOM 2379 C THR A 157 2.257 0.204 12.885 1.00 0.77 C ATOM 2380 O THR A 157 1.190 -0.266 13.275 1.00 0.68 O ATOM 2381 CB THR A 157 3.681 1.765 14.326 1.00 1.14 C ATOM 2382 OG1 THR A 157 3.327 2.965 15.010 1.00 1.93 O ATOM 2383 CG2 THR A 157 5.084 2.044 13.786 1.00 2.48 C ATOM 0 H THR A 157 0.782 1.868 14.166 1.00 0.83 H new ATOM 0 HA THR A 157 3.070 2.053 12.299 1.00 0.90 H new ATOM 0 HB THR A 157 3.694 0.844 14.909 1.00 1.14 H new ATOM 0 HG1 THR A 157 3.953 3.117 15.749 1.00 1.93 H new ATOM 0 HG21 THR A 157 5.786 2.118 14.617 1.00 2.48 H new ATOM 0 HG22 THR A 157 5.388 1.232 13.125 1.00 2.48 H new ATOM 0 HG23 THR A 157 5.080 2.982 13.230 1.00 2.48 H new ATOM 2391 N ILE A 158 3.153 -0.461 12.170 1.00 0.89 N ATOM 2392 CA ILE A 158 2.965 -1.866 11.854 1.00 0.86 C ATOM 2393 C ILE A 158 3.580 -2.720 12.964 1.00 0.92 C ATOM 2394 O ILE A 158 4.752 -2.561 13.298 1.00 1.04 O ATOM 2395 CB ILE A 158 3.515 -2.181 10.461 1.00 0.98 C ATOM 2396 CG1 ILE A 158 2.496 -1.824 9.376 1.00 1.35 C ATOM 2397 CG2 ILE A 158 3.966 -3.640 10.365 1.00 1.05 C ATOM 2398 CD1 ILE A 158 3.180 -1.647 8.018 1.00 1.37 C ATOM 0 H ILE A 158 4.011 -0.052 11.801 1.00 0.89 H new ATOM 0 HA ILE A 158 1.903 -2.108 11.815 1.00 0.86 H new ATOM 0 HB ILE A 158 4.396 -1.561 10.294 1.00 0.98 H new ATOM 0 HG12 ILE A 158 1.742 -2.608 9.308 1.00 1.35 H new ATOM 0 HG13 ILE A 158 1.977 -0.905 9.648 1.00 1.35 H new ATOM 0 HG21 ILE A 158 4.352 -3.836 9.365 1.00 1.05 H new ATOM 0 HG22 ILE A 158 4.749 -3.828 11.100 1.00 1.05 H new ATOM 0 HG23 ILE A 158 3.118 -4.297 10.562 1.00 1.05 H new ATOM 0 HD11 ILE A 158 2.434 -1.394 7.265 1.00 1.37 H new ATOM 0 HD12 ILE A 158 3.916 -0.846 8.083 1.00 1.37 H new ATOM 0 HD13 ILE A 158 3.678 -2.575 7.738 1.00 1.37 H new ATOM 2410 N ALA A 159 2.760 -3.608 13.506 1.00 0.94 N ATOM 2411 CA ALA A 159 3.215 -4.507 14.553 1.00 1.07 C ATOM 2412 C ALA A 159 4.310 -5.419 13.996 1.00 1.01 C ATOM 2413 O ALA A 159 5.363 -5.577 14.611 1.00 1.27 O ATOM 2414 CB ALA A 159 2.025 -5.295 15.104 1.00 1.12 C ATOM 0 H ALA A 159 1.782 -3.724 13.240 1.00 0.94 H new ATOM 0 HA ALA A 159 3.644 -3.944 15.382 1.00 1.07 H new ATOM 0 HB1 ALA A 159 2.367 -5.969 15.889 1.00 1.12 H new ATOM 0 HB2 ALA A 159 1.289 -4.603 15.515 1.00 1.12 H new ATOM 0 HB3 ALA A 159 1.569 -5.875 14.301 1.00 1.12 H new ATOM 2420 N ASP A 160 4.024 -5.995 12.838 1.00 0.74 N ATOM 2421 CA ASP A 160 5.000 -6.823 12.153 1.00 0.69 C ATOM 2422 C ASP A 160 4.488 -7.155 10.750 1.00 0.64 C ATOM 2423 O ASP A 160 3.293 -7.042 10.479 1.00 0.62 O ATOM 2424 CB ASP A 160 5.225 -8.141 12.898 1.00 0.74 C ATOM 2425 CG ASP A 160 3.953 -8.931 13.211 1.00 2.13 C ATOM 2426 OD1 ASP A 160 3.550 -9.729 12.337 1.00 3.67 O ATOM 2427 OD2 ASP A 160 3.412 -8.720 14.318 1.00 2.84 O ATOM 0 H ASP A 160 3.129 -5.904 12.357 1.00 0.74 H new ATOM 0 HA ASP A 160 5.938 -6.269 12.108 1.00 0.69 H new ATOM 0 HB2 ASP A 160 5.888 -8.769 12.303 1.00 0.74 H new ATOM 0 HB3 ASP A 160 5.742 -7.929 13.834 1.00 0.74 H new ATOM 2432 N CYS A 161 5.416 -7.558 9.894 1.00 0.79 N ATOM 2433 CA CYS A 161 5.069 -7.928 8.533 1.00 0.90 C ATOM 2434 C CYS A 161 4.801 -9.435 8.499 1.00 0.92 C ATOM 2435 O CYS A 161 5.110 -10.145 9.455 1.00 1.55 O ATOM 2436 CB CYS A 161 6.159 -7.520 7.539 1.00 1.57 C ATOM 2437 SG CYS A 161 6.534 -5.738 7.721 1.00 1.91 S ATOM 0 H CYS A 161 6.408 -7.636 10.117 1.00 0.79 H new ATOM 0 HA CYS A 161 4.171 -7.392 8.226 1.00 0.90 H new ATOM 0 HB2 CYS A 161 7.060 -8.109 7.712 1.00 1.57 H new ATOM 0 HB3 CYS A 161 5.831 -7.729 6.521 1.00 1.57 H new ATOM 0 HG CYS A 161 7.461 -5.401 6.875 1.00 1.91 H new ATOM 2443 N GLY A 162 4.230 -9.877 7.390 1.00 1.01 N ATOM 2444 CA GLY A 162 3.807 -11.262 7.266 1.00 1.86 C ATOM 2445 C GLY A 162 3.922 -11.744 5.818 1.00 1.18 C ATOM 2446 O GLY A 162 3.625 -10.999 4.886 1.00 1.46 O ATOM 0 H GLY A 162 4.050 -9.301 6.568 1.00 1.01 H new ATOM 0 HA2 GLY A 162 4.419 -11.892 7.912 1.00 1.86 H new ATOM 0 HA3 GLY A 162 2.776 -11.363 7.606 1.00 1.86 H new ATOM 2450 N GLN A 163 4.356 -12.988 5.676 1.00 1.16 N ATOM 2451 CA GLN A 163 4.565 -13.560 4.356 1.00 0.87 C ATOM 2452 C GLN A 163 3.975 -14.970 4.290 1.00 0.85 C ATOM 2453 O GLN A 163 4.321 -15.831 5.098 1.00 0.97 O ATOM 2454 CB GLN A 163 6.051 -13.571 3.993 1.00 1.50 C ATOM 2455 CG GLN A 163 6.308 -14.444 2.763 1.00 1.81 C ATOM 2456 CD GLN A 163 7.768 -14.345 2.315 1.00 2.56 C ATOM 2457 OE1 GLN A 163 8.182 -13.401 1.662 1.00 3.11 O ATOM 2458 NE2 GLN A 163 8.524 -15.368 2.703 1.00 3.40 N ATOM 0 H GLN A 163 4.568 -13.615 6.452 1.00 1.16 H new ATOM 0 HA GLN A 163 4.050 -12.936 3.625 1.00 0.87 H new ATOM 0 HB2 GLN A 163 6.389 -12.553 3.798 1.00 1.50 H new ATOM 0 HB3 GLN A 163 6.632 -13.944 4.836 1.00 1.50 H new ATOM 0 HG2 GLN A 163 6.064 -15.481 2.992 1.00 1.81 H new ATOM 0 HG3 GLN A 163 5.652 -14.134 1.949 1.00 1.81 H new ATOM 0 HE21 GLN A 163 8.115 -16.127 3.248 1.00 3.40 H new ATOM 0 HE22 GLN A 163 9.513 -15.394 2.455 1.00 3.40 H new ATOM 2467 N LEU A 164 3.092 -15.163 3.320 1.00 1.07 N ATOM 2468 CA LEU A 164 2.504 -16.471 3.092 1.00 1.45 C ATOM 2469 C LEU A 164 2.910 -16.974 1.705 1.00 1.93 C ATOM 2470 O LEU A 164 2.191 -16.763 0.730 1.00 2.23 O ATOM 2471 CB LEU A 164 0.990 -16.423 3.310 1.00 1.36 C ATOM 2472 CG LEU A 164 0.522 -15.827 4.639 1.00 1.17 C ATOM 2473 CD1 LEU A 164 -0.894 -15.264 4.518 1.00 1.22 C ATOM 2474 CD2 LEU A 164 0.638 -16.851 5.770 1.00 1.46 C ATOM 0 H LEU A 164 2.770 -14.434 2.683 1.00 1.07 H new ATOM 0 HA LEU A 164 2.885 -17.191 3.816 1.00 1.45 H new ATOM 0 HB2 LEU A 164 0.544 -15.847 2.499 1.00 1.36 H new ATOM 0 HB3 LEU A 164 0.599 -17.438 3.232 1.00 1.36 H new ATOM 0 HG LEU A 164 1.179 -14.994 4.891 1.00 1.17 H new ATOM 0 HD11 LEU A 164 -1.203 -14.846 5.476 1.00 1.22 H new ATOM 0 HD12 LEU A 164 -0.911 -14.482 3.759 1.00 1.22 H new ATOM 0 HD13 LEU A 164 -1.580 -16.062 4.232 1.00 1.22 H new ATOM 0 HD21 LEU A 164 0.299 -16.402 6.704 1.00 1.46 H new ATOM 0 HD22 LEU A 164 0.020 -17.719 5.540 1.00 1.46 H new ATOM 0 HD23 LEU A 164 1.677 -17.162 5.874 1.00 1.46 H new ATOM 2486 N GLU A 165 4.062 -17.629 1.662 1.00 2.33 N ATOM 2487 CA GLU A 165 4.583 -18.143 0.408 1.00 2.88 C ATOM 2488 C GLU A 165 3.963 -19.506 0.093 1.00 3.30 C ATOM 2489 O GLU A 165 3.315 -20.108 0.947 1.00 3.10 O ATOM 2490 CB GLU A 165 6.110 -18.231 0.444 1.00 3.48 C ATOM 2491 CG GLU A 165 6.578 -19.186 1.545 1.00 3.84 C ATOM 2492 CD GLU A 165 6.941 -18.419 2.818 1.00 4.66 C ATOM 2493 OE1 GLU A 165 6.019 -18.209 3.635 1.00 5.20 O ATOM 2494 OE2 GLU A 165 8.132 -18.061 2.944 1.00 5.60 O ATOM 0 H GLU A 165 4.648 -17.815 2.476 1.00 2.33 H new ATOM 0 HA GLU A 165 4.310 -17.449 -0.387 1.00 2.88 H new ATOM 0 HB2 GLU A 165 6.481 -18.574 -0.522 1.00 3.48 H new ATOM 0 HB3 GLU A 165 6.531 -17.240 0.614 1.00 3.48 H new ATOM 0 HG2 GLU A 165 5.792 -19.908 1.763 1.00 3.84 H new ATOM 0 HG3 GLU A 165 7.443 -19.751 1.198 1.00 3.84 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.363 18.469 -5.218 1.00 1.36 N HETATM 2503 CA DAL B 201 -8.172 17.340 -5.646 1.00 1.25 C HETATM 2504 CB DAL B 201 -9.653 17.674 -5.462 1.00 1.25 C HETATM 2505 C DAL B 201 -7.753 16.094 -4.863 1.00 1.15 C HETATM 2506 O DAL B 201 -7.136 16.199 -3.804 1.00 1.18 O HETATM 0 HB3 DAL B 201 -9.851 17.884 -4.411 1.00 1.25 H new HETATM 0 HB2 DAL B 201 -9.906 18.549 -6.061 1.00 1.25 H new HETATM 0 HB1 DAL B 201 -10.260 16.827 -5.783 1.00 1.25 H new HETATM 0 HA DAL B 201 -8.014 17.133 -6.705 1.00 1.25 H new HETATM 0 H DAL B 201 -7.812 19.313 -4.863 1.00 1.36 H new HETATM 2512 N MLE B 202 -8.106 14.941 -5.414 1.00 1.06 N HETATM 2513 CN MLE B 202 -8.864 14.793 -7.050 1.00 1.10 C HETATM 2514 CA MLE B 202 -7.897 13.684 -4.717 1.00 0.99 C HETATM 2515 CB MLE B 202 -9.239 13.055 -4.334 1.00 1.01 C HETATM 2516 CG MLE B 202 -10.286 14.010 -3.759 1.00 1.35 C HETATM 2517 CD1 MLE B 202 -11.638 13.308 -3.599 1.00 2.26 C HETATM 2518 CD2 MLE B 202 -9.803 14.629 -2.446 1.00 1.06 C HETATM 2519 C MLE B 202 -7.012 12.773 -5.571 1.00 0.92 C HETATM 2520 O MLE B 202 -7.475 11.755 -6.083 1.00 0.89 O HETATM 0 HD23 MLE B 202 -9.615 13.839 -1.719 1.00 1.06 H new HETATM 0 HD22 MLE B 202 -8.883 15.186 -2.623 1.00 1.06 H new HETATM 0 HD21 MLE B 202 -10.567 15.304 -2.059 1.00 1.06 H new HETATM 0 HD13 MLE B 202 -11.982 12.956 -4.571 1.00 2.26 H new HETATM 0 HD12 MLE B 202 -11.530 12.460 -2.923 1.00 2.26 H new HETATM 0 HD11 MLE B 202 -12.365 14.008 -3.188 1.00 2.26 H new HETATM 0 HN3 MLE B 202 -8.228 14.183 -7.692 1.00 1.10 H new HETATM 0 HN2 MLE B 202 -9.843 14.322 -6.956 1.00 1.10 H new HETATM 0 HN1 MLE B 202 -8.978 15.784 -7.489 1.00 1.10 H new HETATM 0 HG MLE B 202 -10.428 14.827 -4.466 1.00 1.35 H new HETATM 0 HB3 MLE B 202 -9.659 12.576 -5.219 1.00 1.01 H new HETATM 0 HB2 MLE B 202 -9.054 12.268 -3.603 1.00 1.01 H new HETATM 0 HA MLE B 202 -7.370 13.852 -3.778 1.00 0.99 H new HETATM 2531 N MLE B 203 -5.755 13.171 -5.696 1.00 0.92 N HETATM 2532 CN MLE B 203 -5.109 14.716 -5.009 1.00 1.01 C HETATM 2533 CA MLE B 203 -4.784 12.367 -6.417 1.00 0.87 C HETATM 2534 CB MLE B 203 -3.998 13.232 -7.405 1.00 0.86 C HETATM 2535 CG MLE B 203 -4.831 14.152 -8.300 1.00 0.92 C HETATM 2536 CD1 MLE B 203 -3.960 14.812 -9.371 1.00 0.94 C HETATM 2537 CD2 MLE B 203 -6.015 13.398 -8.910 1.00 0.93 C HETATM 2538 C MLE B 203 -3.899 11.622 -5.414 1.00 0.86 C HETATM 2539 O MLE B 203 -3.803 12.017 -4.254 1.00 0.92 O HETATM 0 HD23 MLE B 203 -5.646 12.566 -9.511 1.00 0.93 H new HETATM 0 HD22 MLE B 203 -6.652 13.015 -8.113 1.00 0.93 H new HETATM 0 HD21 MLE B 203 -6.591 14.075 -9.542 1.00 0.93 H new HETATM 0 HD13 MLE B 203 -3.180 15.404 -8.892 1.00 0.94 H new HETATM 0 HD12 MLE B 203 -3.502 14.043 -9.992 1.00 0.94 H new HETATM 0 HD11 MLE B 203 -4.577 15.460 -9.993 1.00 0.94 H new HETATM 0 HN3 MLE B 203 -4.305 14.494 -4.307 1.00 1.01 H new HETATM 0 HN2 MLE B 203 -4.724 15.340 -5.816 1.00 1.01 H new HETATM 0 HN1 MLE B 203 -5.908 15.245 -4.490 1.00 1.01 H new HETATM 0 HG MLE B 203 -5.241 14.950 -7.681 1.00 0.92 H new HETATM 0 HB3 MLE B 203 -3.295 13.845 -6.841 1.00 0.86 H new HETATM 0 HB2 MLE B 203 -3.407 12.575 -8.043 1.00 0.86 H new HETATM 0 HA MLE B 203 -5.289 11.613 -7.021 1.00 0.87 H new HETATM 2550 N MVA B 204 -3.277 10.557 -5.900 1.00 0.85 N HETATM 2551 CN MVA B 204 -3.362 10.037 -7.631 1.00 0.91 C HETATM 2552 CA MVA B 204 -2.461 9.714 -5.044 1.00 0.87 C HETATM 2553 CB MVA B 204 -3.177 8.388 -4.779 1.00 0.96 C HETATM 2554 CG1 MVA B 204 -2.397 7.533 -3.779 1.00 1.11 C HETATM 2555 CG2 MVA B 204 -4.610 8.625 -4.296 1.00 0.91 C HETATM 2556 C MVA B 204 -1.081 9.531 -5.680 1.00 0.82 C HETATM 2557 O MVA B 204 -0.821 8.516 -6.324 1.00 0.78 O HETATM 0 HG23 MVA B 204 -4.592 9.203 -3.372 1.00 0.91 H new HETATM 0 HG22 MVA B 204 -5.164 9.175 -5.057 1.00 0.91 H new HETATM 0 HG21 MVA B 204 -5.096 7.666 -4.115 1.00 0.91 H new HETATM 0 HG13 MVA B 204 -1.405 7.320 -4.178 1.00 1.11 H new HETATM 0 HG12 MVA B 204 -2.301 8.072 -2.836 1.00 1.11 H new HETATM 0 HG11 MVA B 204 -2.928 6.597 -3.609 1.00 1.11 H new HETATM 0 HN3 MVA B 204 -2.360 10.035 -8.060 1.00 0.91 H new HETATM 0 HN2 MVA B 204 -3.784 9.034 -7.689 1.00 0.91 H new HETATM 0 HN1 MVA B 204 -3.994 10.729 -8.188 1.00 0.91 H new HETATM 0 HB MVA B 204 -3.226 7.841 -5.721 1.00 0.96 H new HETATM 0 HA MVA B 204 -2.312 10.187 -4.074 1.00 0.87 H new HETATM 2566 N BMT B 205 -0.205 10.558 -5.511 1.00 0.85 N HETATM 2567 CN BMT B 205 -0.440 11.793 -4.208 1.00 0.96 C HETATM 2568 CA BMT B 205 1.171 10.363 -5.931 1.00 0.86 C HETATM 2569 C BMT B 205 2.095 10.286 -4.712 1.00 0.95 C HETATM 2570 O BMT B 205 1.629 10.126 -3.586 1.00 1.04 O HETATM 2571 CB BMT B 205 1.535 11.490 -6.899 1.00 0.93 C HETATM 2572 OG1 BMT B 205 1.709 12.627 -6.057 1.00 1.10 O HETATM 2573 CG2 BMT B 205 0.370 11.877 -7.811 1.00 0.90 C HETATM 2574 CD1 BMT B 205 0.057 10.741 -8.786 1.00 1.13 C HETATM 2575 CD2 BMT B 205 0.492 13.191 -8.456 1.00 1.23 C HETATM 2576 CE BMT B 205 1.785 13.537 -9.021 1.00 1.07 C HETATM 2577 CZ BMT B 205 2.692 14.336 -8.620 1.00 1.53 C HETATM 2578 CH BMT B 205 4.001 14.733 -9.255 1.00 1.48 C HETATM 0 HD23 BMT B 205 -0.250 13.246 -9.252 1.00 1.23 H new HETATM 0 HD22 BMT B 205 0.229 13.953 -7.722 1.00 1.23 H new HETATM 0 HD13 BMT B 205 0.935 10.535 -9.399 1.00 1.13 H new HETATM 0 HD12 BMT B 205 -0.213 9.845 -8.227 1.00 1.13 H new HETATM 0 HD11 BMT B 205 -0.774 11.032 -9.428 1.00 1.13 H new HETATM 0 HZ BMT B 205 2.489 14.811 -7.660 1.00 1.53 H new HETATM 0 HN3 BMT B 205 0.118 11.496 -3.320 1.00 0.96 H new HETATM 0 HN2 BMT B 205 -0.080 12.761 -4.555 1.00 0.96 H new HETATM 0 HN1 BMT B 205 -1.500 11.866 -3.963 1.00 0.96 H new HETATM 0 HH3 BMT B 205 4.624 13.848 -9.388 1.00 1.48 H new HETATM 0 HH2 BMT B 205 3.810 15.192 -10.225 1.00 1.48 H new HETATM 0 HH1 BMT B 205 4.516 15.446 -8.611 1.00 1.48 H new HETATM 0 HG2 BMT B 205 -0.495 12.014 -7.162 1.00 0.90 H new HETATM 0 HG1 BMT B 205 0.922 13.207 -6.124 1.00 1.10 H new HETATM 0 HE BMT B 205 2.020 13.022 -9.952 1.00 1.07 H new HETATM 0 HB BMT B 205 2.387 11.185 -7.507 1.00 0.93 H new HETATM 0 HA BMT B 205 1.294 9.414 -6.454 1.00 0.86 H new HETATM 2593 N ABA B 206 3.387 10.404 -4.982 1.00 1.01 N HETATM 2594 CA ABA B 206 4.388 10.188 -3.951 1.00 1.17 C HETATM 2595 C ABA B 206 5.475 11.261 -4.030 1.00 1.26 C HETATM 2596 O ABA B 206 6.567 11.010 -4.537 1.00 1.38 O HETATM 2597 CB ABA B 206 4.928 8.764 -4.107 1.00 1.28 C HETATM 2598 CG ABA B 206 3.815 7.716 -4.132 1.00 1.43 C HETATM 0 HG3 ABA B 206 3.147 7.915 -4.970 1.00 1.43 H new HETATM 0 HG2 ABA B 206 3.252 7.761 -3.200 1.00 1.43 H new HETATM 0 HG1 ABA B 206 4.252 6.724 -4.244 1.00 1.43 H new HETATM 0 HB3 ABA B 206 5.610 8.545 -3.286 1.00 1.28 H new HETATM 0 HB2 ABA B 206 5.507 8.697 -5.028 1.00 1.28 H new HETATM 0 HA ABA B 206 3.956 10.280 -2.955 1.00 1.17 H new HETATM 0 H ABA B 206 3.479 11.190 -5.626 1.00 1.01 H new HETATM 2606 N SAR B 207 5.138 12.437 -3.521 1.00 1.25 N HETATM 2607 CA SAR B 207 6.103 13.574 -3.509 1.00 1.38 C HETATM 2608 C SAR B 207 5.586 15.020 -3.411 1.00 1.35 C HETATM 2609 O SAR B 207 6.008 15.898 -2.673 1.00 1.49 O HETATM 2610 CN SAR B 207 3.431 12.580 -2.839 1.00 1.13 C HETATM 0 HN3 SAR B 207 3.482 12.838 -1.781 1.00 1.13 H new HETATM 0 HN2 SAR B 207 2.889 13.358 -3.376 1.00 1.13 H new HETATM 0 HN1 SAR B 207 2.912 11.629 -2.956 1.00 1.13 H new HETATM 0 HA3 SAR B 207 6.781 13.415 -2.671 1.00 1.38 H new HETATM 0 HA2 SAR B 207 6.699 13.504 -4.419 1.00 1.38 H new HETATM 2613 N MLE B 208 4.580 15.312 -4.220 1.00 1.18 N HETATM 2614 CN MLE B 208 3.772 14.441 -5.587 1.00 1.05 C HETATM 2615 CA MLE B 208 4.030 16.622 -3.917 1.00 1.22 C HETATM 2616 CB MLE B 208 4.864 17.720 -4.579 1.00 1.35 C HETATM 2617 CG MLE B 208 4.152 19.052 -4.819 1.00 2.14 C HETATM 2618 CD1 MLE B 208 3.680 19.666 -3.500 1.00 3.89 C HETATM 2619 CD2 MLE B 208 5.038 20.013 -5.614 1.00 2.83 C HETATM 2620 C MLE B 208 2.551 16.654 -4.309 1.00 1.08 C HETATM 2621 O MLE B 208 2.219 16.844 -5.477 1.00 1.18 O HETATM 0 HD23 MLE B 208 5.957 20.204 -5.060 1.00 2.83 H new HETATM 0 HD22 MLE B 208 5.282 19.569 -6.579 1.00 2.83 H new HETATM 0 HD21 MLE B 208 4.507 20.952 -5.770 1.00 2.83 H new HETATM 0 HD13 MLE B 208 2.987 18.983 -3.008 1.00 3.89 H new HETATM 0 HD12 MLE B 208 4.539 19.841 -2.852 1.00 3.89 H new HETATM 0 HD11 MLE B 208 3.177 20.612 -3.699 1.00 3.89 H new HETATM 0 HN3 MLE B 208 2.719 14.290 -5.350 1.00 1.05 H new HETATM 0 HN2 MLE B 208 3.858 15.034 -6.498 1.00 1.05 H new HETATM 0 HN1 MLE B 208 4.252 13.474 -5.737 1.00 1.05 H new HETATM 0 HG MLE B 208 3.264 18.861 -5.422 1.00 2.14 H new HETATM 0 HB3 MLE B 208 5.741 17.906 -3.959 1.00 1.35 H new HETATM 0 HB2 MLE B 208 5.225 17.346 -5.537 1.00 1.35 H new HETATM 0 HA MLE B 208 4.081 16.817 -2.846 1.00 1.22 H new ATOM 2632 N VAL B 209 1.703 16.462 -3.309 1.00 1.09 N ATOM 2633 CA VAL B 209 0.279 16.307 -3.555 1.00 0.99 C ATOM 2634 C VAL B 209 -0.317 17.661 -3.942 1.00 1.06 C ATOM 2635 O VAL B 209 0.026 18.686 -3.355 1.00 1.23 O ATOM 2636 CB VAL B 209 -0.399 15.683 -2.333 1.00 1.09 C ATOM 2637 CG1 VAL B 209 -1.890 15.460 -2.588 1.00 1.04 C ATOM 2638 CG2 VAL B 209 0.291 14.377 -1.932 1.00 1.14 C ATOM 0 H VAL B 209 1.975 16.410 -2.327 1.00 1.09 H new ATOM 0 HA VAL B 209 0.108 15.626 -4.388 1.00 0.99 H new ATOM 0 HB VAL B 209 -0.303 16.382 -1.502 1.00 1.09 H new ATOM 0 HG11 VAL B 209 -2.348 15.016 -1.704 1.00 1.04 H new ATOM 0 HG12 VAL B 209 -2.369 16.415 -2.804 1.00 1.04 H new ATOM 0 HG13 VAL B 209 -2.017 14.790 -3.438 1.00 1.04 H new ATOM 0 HG21 VAL B 209 -0.210 13.953 -1.061 1.00 1.14 H new ATOM 0 HG22 VAL B 209 0.240 13.670 -2.760 1.00 1.14 H new ATOM 0 HG23 VAL B 209 1.335 14.577 -1.689 1.00 1.14 H new HETATM 2648 N MLE B 210 -1.201 17.624 -4.929 1.00 1.00 N HETATM 2649 CN MLE B 210 -1.713 16.104 -5.771 1.00 0.84 C HETATM 2650 CA MLE B 210 -1.837 18.837 -5.412 1.00 1.17 C HETATM 2651 CB MLE B 210 -1.605 19.000 -6.916 1.00 1.24 C HETATM 2652 CG MLE B 210 -0.223 18.597 -7.430 1.00 1.23 C HETATM 2653 CD1 MLE B 210 -0.209 18.510 -8.958 1.00 1.37 C HETATM 2654 CD2 MLE B 210 0.856 19.544 -6.900 1.00 1.38 C HETATM 2655 C MLE B 210 -3.314 18.828 -5.014 1.00 1.20 C HETATM 2656 O MLE B 210 -3.755 17.950 -4.274 1.00 1.12 O HETATM 0 HD23 MLE B 210 0.643 20.560 -7.231 1.00 1.38 H new HETATM 0 HD22 MLE B 210 0.865 19.512 -5.811 1.00 1.38 H new HETATM 0 HD21 MLE B 210 1.830 19.235 -7.280 1.00 1.38 H new HETATM 0 HD13 MLE B 210 -0.934 17.766 -9.287 1.00 1.37 H new HETATM 0 HD12 MLE B 210 -0.469 19.481 -9.380 1.00 1.37 H new HETATM 0 HD11 MLE B 210 0.786 18.222 -9.297 1.00 1.37 H new HETATM 0 HN3 MLE B 210 -2.787 15.964 -5.647 1.00 0.84 H new HETATM 0 HN2 MLE B 210 -1.477 16.179 -6.832 1.00 0.84 H new HETATM 0 HN1 MLE B 210 -1.184 15.254 -5.341 1.00 0.84 H new HETATM 0 HG MLE B 210 0.006 17.602 -7.049 1.00 1.23 H new HETATM 0 HB3 MLE B 210 -2.353 18.410 -7.445 1.00 1.24 H new HETATM 0 HB2 MLE B 210 -1.778 20.044 -7.179 1.00 1.24 H new HETATM 0 HA MLE B 210 -1.388 19.714 -4.946 1.00 1.17 H new ATOM 2667 N ALA B 211 -4.037 19.816 -5.521 1.00 1.38 N ATOM 2668 CA ALA B 211 -5.452 19.938 -5.221 1.00 1.46 C ATOM 2669 C ALA B 211 -6.197 18.728 -5.790 1.00 1.30 C ATOM 2670 O ALA B 211 -5.711 18.073 -6.711 1.00 1.21 O ATOM 2671 CB ALA B 211 -5.981 21.262 -5.777 1.00 1.71 C ATOM 0 H ALA B 211 -3.668 20.540 -6.138 1.00 1.38 H new ATOM 0 HA ALA B 211 -5.615 19.949 -4.143 1.00 1.46 H new ATOM 0 HB1 ALA B 211 -7.044 21.353 -5.551 1.00 1.71 H new ATOM 0 HB2 ALA B 211 -5.441 22.091 -5.319 1.00 1.71 H new ATOM 0 HB3 ALA B 211 -5.836 21.287 -6.857 1.00 1.71 H new TER 2677 ALA B 211