USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=45 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 152 THR OG1 : rot 160:sc= -0.625 USER MOD Set 1.2: A 153 SER OG : rot 180:sc= -0.651 USER MOD Set 2.1: A 102 ASN : amide:sc= 0.0363 K(o=1.7,f=-6!) USER MOD Set 2.2: A 125 LYS NZ :NH3+ 176:sc= 1.7 (180deg=1.51) USER MOD Set 3.1: A 115 CYS SG : rot 145:sc= 0.218 USER MOD Set 3.2: A 119 THR OG1 : rot 63:sc= 1.61 USER MOD Set 4.1: A 108 ASN : amide:sc= -0.991! C(o=-4!,f=-9.3!) USER MOD Set 4.2: A 111 GLN : amide:sc= -2.99 K(o=-4,f=-11!) USER MOD Set 5.1: A 68 THR OG1 : rot 70:sc= 1.34 USER MOD Set 5.2: A 76 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0) USER MOD Set 6.1: A 61 MET CE :methyl -166:sc= -0.805 (180deg=-0.0929) USER MOD Set 6.2: A 63 GLN : amide:sc= -5.28 K(o=-6.1,f=-16!) USER MOD Single : A 1 MET CE :methyl -122:sc= 0 (180deg=-0.0221) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.162 (180deg=0.0299) USER MOD Single : A 3 ASN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 95:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= 0.726 (180deg=-0.404!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0899 USER MOD Single : A 35 ASN : amide:sc= -0.136 K(o=-0.14,f=-5.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -51:sc= 0.202 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 1.1 (180deg=0.534) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 0.544 (180deg=-1.48!) USER MOD Single : A 51 SER OG : rot -136:sc= 0.229 USER MOD Single : A 52 CYS SG : rot 48:sc= -3.45! USER MOD Single : A 54 HIS : no HE2:sc= 0.746 K(o=0.75,f=-3!) USER MOD Single : A 62 CYS SG : rot 165:sc= -0.783 USER MOD Single : A 70 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-1.5) USER MOD Single : A 71 ASN : amide:sc= 0.196 K(o=0.2,f=-7.7!) USER MOD Single : A 73 THR OG1 : rot 60:sc= 0.0547 USER MOD Single : A 77 SER OG : rot 170:sc= -0.562 USER MOD Single : A 79 TYR OH : rot -175:sc= 0.996 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.207 K(o=-0.21,f=-6.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= -0.365 K(o=-0.36,f=-1.2) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 99 SER OG : rot -59:sc= 0.573 USER MOD Single : A 100 MET CE :methyl -117:sc= -0.991 (180deg=-3.91!) USER MOD Single : A 106 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.9) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 138:sc= 1.28 USER MOD Single : A 116 THR OG1 : rot 76:sc= 0.451 USER MOD Single : A 118 LYS NZ :NH3+ 159:sc= 0.0794 (180deg=-1.04!) USER MOD Single : A 126 HIS :FLIP no HE2:sc= -0.736 F(o=-4!,f=-0.74) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.877) USER MOD Single : A 136 MET CE :methyl 163:sc= -0.0659 (180deg=-0.646) USER MOD Single : A 137 ASN : amide:sc= -0.401 K(o=-0.4,f=-7.8!) USER MOD Single : A 142 MET CE :methyl -178:sc= -0.101 (180deg=-0.11) USER MOD Single : A 147 SER OG : rot 57:sc= 1.21 USER MOD Single : A 149 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.4!) USER MOD Single : A 151 LYS NZ :NH3+ -123:sc= 1.28 (180deg=0.316) USER MOD Single : A 154 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00287) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 43:sc= 0.137 USER MOD Single : A 161 CYS SG : rot -138:sc= 0.419 USER MOD Single : A 163 GLN : amide:sc= 1 K(o=1,f=-10!) USER MOD Single : B 205 BMT OG1 : rot 170:sc= -4.22! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.090 -19.310 -10.322 1.00 4.60 N ATOM 2 CA MET A 1 -1.305 -19.707 -10.239 1.00 4.59 C ATOM 3 C MET A 1 -1.666 -20.144 -8.817 1.00 3.67 C ATOM 4 O MET A 1 -2.826 -20.437 -8.530 1.00 4.62 O ATOM 5 CB MET A 1 -1.567 -20.860 -11.211 1.00 5.79 C ATOM 6 CG MET A 1 -0.706 -22.075 -10.863 1.00 5.89 C ATOM 7 SD MET A 1 -0.898 -23.335 -12.113 1.00 7.60 S ATOM 8 CE MET A 1 -2.440 -24.064 -11.583 1.00 8.82 C ATOM 0 H1 MET A 1 0.342 -19.132 -11.315 1.00 4.60 H new ATOM 0 H2 MET A 1 0.238 -18.443 -9.767 1.00 4.60 H new ATOM 0 H3 MET A 1 0.690 -20.070 -9.944 1.00 4.60 H new ATOM 0 HA MET A 1 -1.924 -18.850 -10.504 1.00 4.59 H new ATOM 0 HB2 MET A 1 -2.621 -21.135 -11.179 1.00 5.79 H new ATOM 0 HB3 MET A 1 -1.353 -20.538 -12.230 1.00 5.79 H new ATOM 0 HG2 MET A 1 0.341 -21.780 -10.789 1.00 5.89 H new ATOM 0 HG3 MET A 1 -0.996 -22.470 -9.889 1.00 5.89 H new ATOM 0 HE1 MET A 1 -2.293 -25.127 -11.390 1.00 8.82 H new ATOM 0 HE2 MET A 1 -2.780 -23.573 -10.671 1.00 8.82 H new ATOM 0 HE3 MET A 1 -3.190 -23.937 -12.364 1.00 8.82 H new ATOM 18 N VAL A 2 -0.651 -20.176 -7.967 1.00 2.63 N ATOM 19 CA VAL A 2 -0.849 -20.567 -6.581 1.00 2.73 C ATOM 20 C VAL A 2 -1.480 -19.403 -5.813 1.00 2.77 C ATOM 21 O VAL A 2 -2.217 -19.617 -4.851 1.00 4.46 O ATOM 22 CB VAL A 2 0.476 -21.033 -5.974 1.00 3.19 C ATOM 23 CG1 VAL A 2 1.379 -19.842 -5.646 1.00 4.03 C ATOM 24 CG2 VAL A 2 0.238 -21.899 -4.736 1.00 3.77 C ATOM 0 H VAL A 2 0.311 -19.938 -8.210 1.00 2.63 H new ATOM 0 HA VAL A 2 -1.536 -21.411 -6.517 1.00 2.73 H new ATOM 0 HB VAL A 2 0.987 -21.645 -6.717 1.00 3.19 H new ATOM 0 HG11 VAL A 2 2.314 -20.202 -5.216 1.00 4.03 H new ATOM 0 HG12 VAL A 2 1.590 -19.284 -6.558 1.00 4.03 H new ATOM 0 HG13 VAL A 2 0.877 -19.191 -4.930 1.00 4.03 H new ATOM 0 HG21 VAL A 2 1.196 -22.217 -4.325 1.00 3.77 H new ATOM 0 HG22 VAL A 2 -0.305 -21.322 -3.987 1.00 3.77 H new ATOM 0 HG23 VAL A 2 -0.347 -22.776 -5.013 1.00 3.77 H new ATOM 34 N ASN A 3 -1.169 -18.199 -6.266 1.00 1.40 N ATOM 35 CA ASN A 3 -1.714 -17.002 -5.647 1.00 1.46 C ATOM 36 C ASN A 3 -1.481 -17.065 -4.135 1.00 1.44 C ATOM 37 O ASN A 3 -2.370 -17.461 -3.383 1.00 1.56 O ATOM 38 CB ASN A 3 -3.220 -16.892 -5.890 1.00 1.91 C ATOM 39 CG ASN A 3 -3.519 -16.608 -7.363 1.00 1.88 C ATOM 40 OD1 ASN A 3 -3.970 -17.462 -8.107 1.00 3.43 O ATOM 41 ND2 ASN A 3 -3.242 -15.363 -7.740 1.00 1.49 N ATOM 0 H ASN A 3 -0.546 -18.025 -7.055 1.00 1.40 H new ATOM 0 HA ASN A 3 -1.215 -16.138 -6.086 1.00 1.46 H new ATOM 0 HB2 ASN A 3 -3.709 -17.818 -5.588 1.00 1.91 H new ATOM 0 HB3 ASN A 3 -3.635 -16.096 -5.271 1.00 1.91 H new ATOM 0 HD21 ASN A 3 -3.406 -15.074 -8.704 1.00 1.49 H new ATOM 0 HD22 ASN A 3 -2.866 -14.697 -7.065 1.00 1.49 H new ATOM 48 N PRO A 4 -0.250 -16.659 -3.726 1.00 1.42 N ATOM 49 CA PRO A 4 0.111 -16.666 -2.318 1.00 1.45 C ATOM 50 C PRO A 4 -0.558 -15.508 -1.575 1.00 1.25 C ATOM 51 O PRO A 4 -0.856 -14.473 -2.170 1.00 1.13 O ATOM 52 CB PRO A 4 1.628 -16.587 -2.301 1.00 1.65 C ATOM 53 CG PRO A 4 2.035 -16.071 -3.672 1.00 1.66 C ATOM 54 CD PRO A 4 0.827 -16.182 -4.588 1.00 1.50 C ATOM 0 HA PRO A 4 -0.233 -17.561 -1.799 1.00 1.45 H new ATOM 0 HB2 PRO A 4 1.975 -15.918 -1.513 1.00 1.65 H new ATOM 0 HB3 PRO A 4 2.068 -17.565 -2.106 1.00 1.65 H new ATOM 0 HG2 PRO A 4 2.371 -15.036 -3.606 1.00 1.66 H new ATOM 0 HG3 PRO A 4 2.868 -16.652 -4.067 1.00 1.66 H new ATOM 0 HD2 PRO A 4 0.579 -15.219 -5.035 1.00 1.50 H new ATOM 0 HD3 PRO A 4 1.014 -16.875 -5.408 1.00 1.50 H new ATOM 62 N THR A 5 -0.773 -15.720 -0.284 1.00 1.40 N ATOM 63 CA THR A 5 -1.430 -14.720 0.539 1.00 1.27 C ATOM 64 C THR A 5 -0.412 -14.020 1.441 1.00 1.10 C ATOM 65 O THR A 5 0.583 -14.621 1.843 1.00 1.04 O ATOM 66 CB THR A 5 -2.555 -15.409 1.313 1.00 1.32 C ATOM 67 OG1 THR A 5 -3.301 -16.091 0.309 1.00 1.70 O ATOM 68 CG2 THR A 5 -3.552 -14.414 1.908 1.00 1.40 C ATOM 0 H THR A 5 -0.503 -16.570 0.211 1.00 1.40 H new ATOM 0 HA THR A 5 -1.872 -13.933 -0.072 1.00 1.27 H new ATOM 0 HB THR A 5 -2.127 -16.014 2.112 1.00 1.32 H new ATOM 0 HG1 THR A 5 -4.050 -16.567 0.725 1.00 1.70 H new ATOM 0 HG21 THR A 5 -4.329 -14.956 2.447 1.00 1.40 H new ATOM 0 HG22 THR A 5 -3.033 -13.746 2.595 1.00 1.40 H new ATOM 0 HG23 THR A 5 -4.005 -13.830 1.107 1.00 1.40 H new ATOM 76 N VAL A 6 -0.695 -12.759 1.733 1.00 1.09 N ATOM 77 CA VAL A 6 0.167 -11.980 2.604 1.00 1.01 C ATOM 78 C VAL A 6 -0.677 -11.323 3.698 1.00 0.94 C ATOM 79 O VAL A 6 -1.849 -11.018 3.482 1.00 1.00 O ATOM 80 CB VAL A 6 0.968 -10.969 1.779 1.00 1.20 C ATOM 81 CG1 VAL A 6 2.218 -10.514 2.535 1.00 1.92 C ATOM 82 CG2 VAL A 6 1.334 -11.546 0.410 1.00 2.30 C ATOM 0 H VAL A 6 -1.510 -12.257 1.381 1.00 1.09 H new ATOM 0 HA VAL A 6 0.893 -12.626 3.098 1.00 1.01 H new ATOM 0 HB VAL A 6 0.338 -10.095 1.616 1.00 1.20 H new ATOM 0 HG11 VAL A 6 2.769 -9.796 1.928 1.00 1.92 H new ATOM 0 HG12 VAL A 6 1.925 -10.045 3.474 1.00 1.92 H new ATOM 0 HG13 VAL A 6 2.852 -11.376 2.743 1.00 1.92 H new ATOM 0 HG21 VAL A 6 1.902 -10.808 -0.156 1.00 2.30 H new ATOM 0 HG22 VAL A 6 1.937 -12.444 0.543 1.00 2.30 H new ATOM 0 HG23 VAL A 6 0.424 -11.798 -0.134 1.00 2.30 H new ATOM 92 N PHE A 7 -0.049 -11.127 4.848 1.00 0.93 N ATOM 93 CA PHE A 7 -0.709 -10.459 5.956 1.00 0.88 C ATOM 94 C PHE A 7 0.143 -9.305 6.487 1.00 0.69 C ATOM 95 O PHE A 7 1.366 -9.412 6.553 1.00 0.75 O ATOM 96 CB PHE A 7 -0.886 -11.499 7.064 1.00 1.11 C ATOM 97 CG PHE A 7 0.404 -11.837 7.812 1.00 0.82 C ATOM 98 CD1 PHE A 7 0.813 -11.057 8.850 1.00 1.79 C ATOM 99 CD2 PHE A 7 1.144 -12.916 7.441 1.00 1.86 C ATOM 100 CE1 PHE A 7 2.011 -11.370 9.545 1.00 2.05 C ATOM 101 CE2 PHE A 7 2.342 -13.230 8.136 1.00 2.10 C ATOM 102 CZ PHE A 7 2.751 -12.449 9.173 1.00 1.60 C ATOM 0 H PHE A 7 0.910 -11.419 5.036 1.00 0.93 H new ATOM 0 HA PHE A 7 -1.664 -10.048 5.627 1.00 0.88 H new ATOM 0 HB2 PHE A 7 -1.623 -11.132 7.779 1.00 1.11 H new ATOM 0 HB3 PHE A 7 -1.292 -12.412 6.629 1.00 1.11 H new ATOM 0 HD1 PHE A 7 0.226 -10.200 9.145 1.00 1.79 H new ATOM 0 HD2 PHE A 7 0.820 -13.535 6.617 1.00 1.86 H new ATOM 0 HE1 PHE A 7 2.335 -10.751 10.369 1.00 2.05 H new ATOM 0 HE2 PHE A 7 2.928 -14.088 7.842 1.00 2.10 H new ATOM 0 HZ PHE A 7 3.663 -12.686 9.700 1.00 1.60 H new ATOM 112 N PHE A 8 -0.538 -8.228 6.854 1.00 0.75 N ATOM 113 CA PHE A 8 0.141 -7.061 7.389 1.00 0.84 C ATOM 114 C PHE A 8 -0.450 -6.655 8.741 1.00 0.66 C ATOM 115 O PHE A 8 -1.638 -6.354 8.837 1.00 0.76 O ATOM 116 CB PHE A 8 -0.072 -5.922 6.390 1.00 1.20 C ATOM 117 CG PHE A 8 0.835 -5.995 5.160 1.00 1.38 C ATOM 118 CD1 PHE A 8 0.644 -6.969 4.230 1.00 2.87 C ATOM 119 CD2 PHE A 8 1.833 -5.085 4.996 1.00 1.99 C ATOM 120 CE1 PHE A 8 1.485 -7.037 3.089 1.00 3.77 C ATOM 121 CE2 PHE A 8 2.675 -5.152 3.854 1.00 2.82 C ATOM 122 CZ PHE A 8 2.483 -6.127 2.925 1.00 3.42 C ATOM 0 H PHE A 8 -1.552 -8.140 6.791 1.00 0.75 H new ATOM 0 HA PHE A 8 1.198 -7.281 7.536 1.00 0.84 H new ATOM 0 HB2 PHE A 8 -1.112 -5.929 6.063 1.00 1.20 H new ATOM 0 HB3 PHE A 8 0.096 -4.972 6.897 1.00 1.20 H new ATOM 0 HD1 PHE A 8 -0.148 -7.691 4.360 1.00 2.87 H new ATOM 0 HD2 PHE A 8 1.985 -4.312 5.734 1.00 1.99 H new ATOM 0 HE1 PHE A 8 1.333 -7.811 2.351 1.00 3.77 H new ATOM 0 HE2 PHE A 8 3.467 -4.429 3.723 1.00 2.82 H new ATOM 0 HZ PHE A 8 3.123 -6.179 2.057 1.00 3.42 H new ATOM 132 N ASP A 9 0.408 -6.660 9.751 1.00 0.71 N ATOM 133 CA ASP A 9 -0.010 -6.276 11.088 1.00 0.81 C ATOM 134 C ASP A 9 0.078 -4.755 11.230 1.00 0.86 C ATOM 135 O ASP A 9 1.146 -4.173 11.050 1.00 0.95 O ATOM 136 CB ASP A 9 0.898 -6.903 12.149 1.00 1.13 C ATOM 137 CG ASP A 9 0.453 -6.677 13.596 1.00 1.51 C ATOM 138 OD1 ASP A 9 0.589 -5.523 14.058 1.00 2.83 O ATOM 139 OD2 ASP A 9 -0.013 -7.662 14.207 1.00 2.08 O ATOM 0 H ASP A 9 1.390 -6.924 9.670 1.00 0.71 H new ATOM 0 HA ASP A 9 -1.032 -6.625 11.235 1.00 0.81 H new ATOM 0 HB2 ASP A 9 0.958 -7.976 11.966 1.00 1.13 H new ATOM 0 HB3 ASP A 9 1.904 -6.502 12.027 1.00 1.13 H new ATOM 144 N ILE A 10 -1.060 -4.155 11.548 1.00 0.86 N ATOM 145 CA ILE A 10 -1.125 -2.713 11.708 1.00 0.94 C ATOM 146 C ILE A 10 -1.095 -2.368 13.199 1.00 1.08 C ATOM 147 O ILE A 10 -1.897 -2.883 13.976 1.00 1.09 O ATOM 148 CB ILE A 10 -2.342 -2.148 10.972 1.00 0.88 C ATOM 149 CG1 ILE A 10 -2.485 -2.780 9.586 1.00 0.93 C ATOM 150 CG2 ILE A 10 -2.279 -0.621 10.901 1.00 1.38 C ATOM 151 CD1 ILE A 10 -1.314 -2.389 8.681 1.00 1.43 C ATOM 0 H ILE A 10 -1.944 -4.641 11.699 1.00 0.86 H new ATOM 0 HA ILE A 10 -0.256 -2.239 11.252 1.00 0.94 H new ATOM 0 HB ILE A 10 -3.236 -2.408 11.539 1.00 0.88 H new ATOM 0 HG12 ILE A 10 -2.530 -3.865 9.680 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -3.423 -2.460 9.132 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -3.155 -0.245 10.373 1.00 1.38 H new ATOM 0 HG22 ILE A 10 -2.259 -0.210 11.910 1.00 1.38 H new ATOM 0 HG23 ILE A 10 -1.377 -0.318 10.369 1.00 1.38 H new ATOM 0 HD11 ILE A 10 -1.440 -2.852 7.702 1.00 1.43 H new ATOM 0 HD12 ILE A 10 -1.287 -1.305 8.569 1.00 1.43 H new ATOM 0 HD13 ILE A 10 -0.380 -2.732 9.126 1.00 1.43 H new ATOM 163 N ALA A 11 -0.161 -1.498 13.552 1.00 1.26 N ATOM 164 CA ALA A 11 0.014 -1.112 14.942 1.00 1.46 C ATOM 165 C ALA A 11 -0.258 0.386 15.090 1.00 1.45 C ATOM 166 O ALA A 11 0.392 1.206 14.443 1.00 1.49 O ATOM 167 CB ALA A 11 1.422 -1.496 15.405 1.00 1.67 C ATOM 0 H ALA A 11 0.483 -1.049 12.900 1.00 1.26 H new ATOM 0 HA ALA A 11 -0.696 -1.641 15.579 1.00 1.46 H new ATOM 0 HB1 ALA A 11 1.554 -1.207 16.448 1.00 1.67 H new ATOM 0 HB2 ALA A 11 1.556 -2.573 15.308 1.00 1.67 H new ATOM 0 HB3 ALA A 11 2.160 -0.982 14.790 1.00 1.67 H new ATOM 173 N VAL A 12 -1.222 0.698 15.945 1.00 1.49 N ATOM 174 CA VAL A 12 -1.492 2.082 16.295 1.00 1.56 C ATOM 175 C VAL A 12 -0.900 2.379 17.674 1.00 1.78 C ATOM 176 O VAL A 12 -1.429 1.929 18.690 1.00 1.96 O ATOM 177 CB VAL A 12 -2.995 2.358 16.217 1.00 1.54 C ATOM 178 CG1 VAL A 12 -3.285 3.854 16.350 1.00 1.72 C ATOM 179 CG2 VAL A 12 -3.588 1.797 14.923 1.00 1.28 C ATOM 0 H VAL A 12 -1.825 0.016 16.405 1.00 1.49 H new ATOM 0 HA VAL A 12 -1.014 2.756 15.584 1.00 1.56 H new ATOM 0 HB VAL A 12 -3.474 1.849 17.053 1.00 1.54 H new ATOM 0 HG11 VAL A 12 -4.360 4.023 16.291 1.00 1.72 H new ATOM 0 HG12 VAL A 12 -2.913 4.213 17.310 1.00 1.72 H new ATOM 0 HG13 VAL A 12 -2.788 4.394 15.544 1.00 1.72 H new ATOM 0 HG21 VAL A 12 -4.657 2.006 14.892 1.00 1.28 H new ATOM 0 HG22 VAL A 12 -3.102 2.265 14.067 1.00 1.28 H new ATOM 0 HG23 VAL A 12 -3.428 0.719 14.887 1.00 1.28 H new ATOM 189 N ASP A 13 0.188 3.135 17.666 1.00 1.79 N ATOM 190 CA ASP A 13 0.850 3.506 18.905 1.00 1.99 C ATOM 191 C ASP A 13 1.084 2.251 19.749 1.00 2.25 C ATOM 192 O ASP A 13 0.344 1.988 20.696 1.00 2.40 O ATOM 193 CB ASP A 13 -0.011 4.471 19.723 1.00 1.98 C ATOM 194 CG ASP A 13 -0.819 5.474 18.898 1.00 1.83 C ATOM 195 OD1 ASP A 13 -0.235 6.017 17.934 1.00 2.94 O ATOM 196 OD2 ASP A 13 -2.001 5.676 19.248 1.00 1.79 O ATOM 0 H ASP A 13 0.628 3.501 16.821 1.00 1.79 H new ATOM 0 HA ASP A 13 1.793 3.991 18.651 1.00 1.99 H new ATOM 0 HB2 ASP A 13 -0.699 3.889 20.336 1.00 1.98 H new ATOM 0 HB3 ASP A 13 0.636 5.022 20.405 1.00 1.98 H new ATOM 201 N GLY A 14 2.117 1.509 19.375 1.00 2.36 N ATOM 202 CA GLY A 14 2.501 0.327 20.129 1.00 2.65 C ATOM 203 C GLY A 14 1.271 -0.490 20.532 1.00 2.60 C ATOM 204 O GLY A 14 1.159 -0.924 21.676 1.00 2.84 O ATOM 0 H GLY A 14 2.699 1.703 18.560 1.00 2.36 H new ATOM 0 HA2 GLY A 14 3.171 -0.289 19.530 1.00 2.65 H new ATOM 0 HA3 GLY A 14 3.053 0.624 21.021 1.00 2.65 H new ATOM 208 N GLU A 15 0.380 -0.674 19.568 1.00 2.32 N ATOM 209 CA GLU A 15 -0.819 -1.459 19.799 1.00 2.27 C ATOM 210 C GLU A 15 -1.326 -2.054 18.483 1.00 1.95 C ATOM 211 O GLU A 15 -1.711 -1.321 17.573 1.00 1.76 O ATOM 212 CB GLU A 15 -1.904 -0.617 20.474 1.00 2.34 C ATOM 213 CG GLU A 15 -2.879 -1.501 21.253 1.00 2.57 C ATOM 214 CD GLU A 15 -3.816 -2.253 20.305 1.00 3.03 C ATOM 215 OE1 GLU A 15 -4.304 -1.603 19.355 1.00 3.97 O ATOM 216 OE2 GLU A 15 -4.024 -3.460 20.551 1.00 3.87 O ATOM 0 H GLU A 15 0.465 -0.293 18.626 1.00 2.32 H new ATOM 0 HA GLU A 15 -0.569 -2.278 20.473 1.00 2.27 H new ATOM 0 HB2 GLU A 15 -1.443 0.104 21.149 1.00 2.34 H new ATOM 0 HB3 GLU A 15 -2.447 -0.046 19.721 1.00 2.34 H new ATOM 0 HG2 GLU A 15 -2.322 -2.214 21.861 1.00 2.57 H new ATOM 0 HG3 GLU A 15 -3.465 -0.887 21.937 1.00 2.57 H new ATOM 223 N PRO A 16 -1.309 -3.413 18.423 1.00 1.91 N ATOM 224 CA PRO A 16 -1.723 -4.113 17.219 1.00 1.67 C ATOM 225 C PRO A 16 -3.246 -4.091 17.069 1.00 1.53 C ATOM 226 O PRO A 16 -3.958 -4.744 17.830 1.00 1.63 O ATOM 227 CB PRO A 16 -1.162 -5.518 17.369 1.00 1.75 C ATOM 228 CG PRO A 16 -0.855 -5.689 18.847 1.00 2.02 C ATOM 229 CD PRO A 16 -0.896 -4.314 19.494 1.00 2.12 C ATOM 0 HA PRO A 16 -1.349 -3.643 16.309 1.00 1.67 H new ATOM 0 HB2 PRO A 16 -1.881 -6.264 17.031 1.00 1.75 H new ATOM 0 HB3 PRO A 16 -0.263 -5.646 16.766 1.00 1.75 H new ATOM 0 HG2 PRO A 16 -1.583 -6.352 19.314 1.00 2.02 H new ATOM 0 HG3 PRO A 16 0.125 -6.146 18.983 1.00 2.02 H new ATOM 0 HD2 PRO A 16 -1.600 -4.289 20.326 1.00 2.12 H new ATOM 0 HD3 PRO A 16 0.079 -4.035 19.893 1.00 2.12 H new ATOM 237 N LEU A 17 -3.700 -3.333 16.081 1.00 1.37 N ATOM 238 CA LEU A 17 -5.127 -3.176 15.854 1.00 1.35 C ATOM 239 C LEU A 17 -5.687 -4.465 15.251 1.00 1.20 C ATOM 240 O LEU A 17 -6.746 -4.937 15.663 1.00 1.31 O ATOM 241 CB LEU A 17 -5.399 -1.931 15.006 1.00 1.36 C ATOM 242 CG LEU A 17 -6.855 -1.711 14.589 1.00 0.82 C ATOM 243 CD1 LEU A 17 -7.739 -1.436 15.807 1.00 1.27 C ATOM 244 CD2 LEU A 17 -6.962 -0.600 13.541 1.00 1.83 C ATOM 0 H LEU A 17 -3.105 -2.821 15.429 1.00 1.37 H new ATOM 0 HA LEU A 17 -5.648 -3.012 16.797 1.00 1.35 H new ATOM 0 HB2 LEU A 17 -5.065 -1.056 15.563 1.00 1.36 H new ATOM 0 HB3 LEU A 17 -4.788 -1.988 14.105 1.00 1.36 H new ATOM 0 HG LEU A 17 -7.221 -2.628 14.127 1.00 0.82 H new ATOM 0 HD11 LEU A 17 -8.768 -1.283 15.482 1.00 1.27 H new ATOM 0 HD12 LEU A 17 -7.695 -2.286 16.488 1.00 1.27 H new ATOM 0 HD13 LEU A 17 -7.384 -0.542 16.320 1.00 1.27 H new ATOM 0 HD21 LEU A 17 -8.007 -0.463 13.261 1.00 1.83 H new ATOM 0 HD22 LEU A 17 -6.572 0.330 13.955 1.00 1.83 H new ATOM 0 HD23 LEU A 17 -6.383 -0.875 12.659 1.00 1.83 H new ATOM 256 N GLY A 18 -4.954 -4.997 14.285 1.00 1.05 N ATOM 257 CA GLY A 18 -5.368 -6.220 13.618 1.00 1.01 C ATOM 258 C GLY A 18 -4.506 -6.489 12.383 1.00 0.93 C ATOM 259 O GLY A 18 -3.570 -5.743 12.100 1.00 0.97 O ATOM 0 H GLY A 18 -4.075 -4.604 13.948 1.00 1.05 H new ATOM 0 HA2 GLY A 18 -5.292 -7.059 14.309 1.00 1.01 H new ATOM 0 HA3 GLY A 18 -6.415 -6.142 13.325 1.00 1.01 H new ATOM 263 N ARG A 19 -4.852 -7.558 11.680 1.00 0.95 N ATOM 264 CA ARG A 19 -4.105 -7.951 10.498 1.00 0.95 C ATOM 265 C ARG A 19 -4.937 -7.704 9.238 1.00 0.92 C ATOM 266 O ARG A 19 -6.145 -7.935 9.232 1.00 1.02 O ATOM 267 CB ARG A 19 -3.713 -9.430 10.560 1.00 1.04 C ATOM 268 CG ARG A 19 -2.226 -9.589 10.884 1.00 1.28 C ATOM 269 CD ARG A 19 -1.946 -9.255 12.351 1.00 2.58 C ATOM 270 NE ARG A 19 -2.631 -10.227 13.231 1.00 2.86 N ATOM 271 CZ ARG A 19 -2.781 -10.068 14.553 1.00 4.17 C ATOM 272 NH1 ARG A 19 -2.149 -9.067 15.183 1.00 5.25 N ATOM 273 NH2 ARG A 19 -3.562 -10.908 15.245 1.00 5.16 N ATOM 0 H ARG A 19 -5.640 -8.164 11.907 1.00 0.95 H new ATOM 0 HA ARG A 19 -3.198 -7.347 10.463 1.00 0.95 H new ATOM 0 HB2 ARG A 19 -4.310 -9.937 11.318 1.00 1.04 H new ATOM 0 HB3 ARG A 19 -3.935 -9.909 9.606 1.00 1.04 H new ATOM 0 HG2 ARG A 19 -1.912 -10.611 10.674 1.00 1.28 H new ATOM 0 HG3 ARG A 19 -1.638 -8.935 10.240 1.00 1.28 H new ATOM 0 HD2 ARG A 19 -0.872 -9.276 12.539 1.00 2.58 H new ATOM 0 HD3 ARG A 19 -2.289 -8.245 12.574 1.00 2.58 H new ATOM 0 HE ARG A 19 -3.013 -11.071 12.805 1.00 2.86 H new ATOM 0 HH11 ARG A 19 -1.555 -8.427 14.656 1.00 5.25 H new ATOM 0 HH12 ARG A 19 -2.263 -8.945 16.189 1.00 5.25 H new ATOM 0 HH21 ARG A 19 -4.043 -11.669 14.766 1.00 5.16 H new ATOM 0 HH22 ARG A 19 -3.676 -10.786 16.251 1.00 5.16 H new ATOM 287 N VAL A 20 -4.257 -7.237 8.201 1.00 0.93 N ATOM 288 CA VAL A 20 -4.890 -7.073 6.904 1.00 0.92 C ATOM 289 C VAL A 20 -4.305 -8.092 5.923 1.00 1.01 C ATOM 290 O VAL A 20 -3.089 -8.158 5.744 1.00 2.07 O ATOM 291 CB VAL A 20 -4.739 -5.628 6.425 1.00 0.95 C ATOM 292 CG1 VAL A 20 -5.588 -5.371 5.180 1.00 0.98 C ATOM 293 CG2 VAL A 20 -5.088 -4.642 7.542 1.00 1.06 C ATOM 0 H VAL A 20 -3.274 -6.967 8.233 1.00 0.93 H new ATOM 0 HA VAL A 20 -5.960 -7.267 6.975 1.00 0.92 H new ATOM 0 HB VAL A 20 -3.695 -5.472 6.154 1.00 0.95 H new ATOM 0 HG11 VAL A 20 -5.462 -4.336 4.861 1.00 0.98 H new ATOM 0 HG12 VAL A 20 -5.271 -6.039 4.379 1.00 0.98 H new ATOM 0 HG13 VAL A 20 -6.637 -5.554 5.411 1.00 0.98 H new ATOM 0 HG21 VAL A 20 -4.973 -3.622 7.176 1.00 1.06 H new ATOM 0 HG22 VAL A 20 -6.119 -4.800 7.858 1.00 1.06 H new ATOM 0 HG23 VAL A 20 -4.421 -4.801 8.389 1.00 1.06 H new ATOM 303 N SER A 21 -5.196 -8.860 5.314 1.00 0.96 N ATOM 304 CA SER A 21 -4.779 -9.942 4.440 1.00 0.99 C ATOM 305 C SER A 21 -4.984 -9.541 2.977 1.00 0.87 C ATOM 306 O SER A 21 -5.984 -8.912 2.637 1.00 0.88 O ATOM 307 CB SER A 21 -5.546 -11.229 4.750 1.00 1.25 C ATOM 308 OG SER A 21 -6.850 -10.963 5.260 1.00 2.32 O ATOM 0 H SER A 21 -6.206 -8.754 5.409 1.00 0.96 H new ATOM 0 HA SER A 21 -3.720 -10.132 4.614 1.00 0.99 H new ATOM 0 HB2 SER A 21 -5.626 -11.830 3.844 1.00 1.25 H new ATOM 0 HB3 SER A 21 -4.986 -11.819 5.476 1.00 1.25 H new ATOM 0 HG SER A 21 -7.498 -10.981 4.525 1.00 2.32 H new ATOM 314 N PHE A 22 -4.020 -9.922 2.151 1.00 0.85 N ATOM 315 CA PHE A 22 -4.119 -9.680 0.723 1.00 0.83 C ATOM 316 C PHE A 22 -3.783 -10.944 -0.072 1.00 0.95 C ATOM 317 O PHE A 22 -2.953 -11.745 0.352 1.00 1.17 O ATOM 318 CB PHE A 22 -3.101 -8.590 0.381 1.00 0.85 C ATOM 319 CG PHE A 22 -3.266 -7.307 1.198 1.00 0.82 C ATOM 320 CD1 PHE A 22 -2.620 -7.170 2.387 1.00 1.46 C ATOM 321 CD2 PHE A 22 -4.058 -6.304 0.734 1.00 1.90 C ATOM 322 CE1 PHE A 22 -2.773 -5.979 3.144 1.00 1.44 C ATOM 323 CE2 PHE A 22 -4.211 -5.112 1.493 1.00 2.00 C ATOM 324 CZ PHE A 22 -3.566 -4.975 2.681 1.00 0.99 C ATOM 0 H PHE A 22 -3.166 -10.397 2.445 1.00 0.85 H new ATOM 0 HA PHE A 22 -5.135 -9.381 0.466 1.00 0.83 H new ATOM 0 HB2 PHE A 22 -2.097 -8.983 0.539 1.00 0.85 H new ATOM 0 HB3 PHE A 22 -3.185 -8.348 -0.678 1.00 0.85 H new ATOM 0 HD1 PHE A 22 -1.991 -7.967 2.755 1.00 1.46 H new ATOM 0 HD2 PHE A 22 -4.570 -6.413 -0.210 1.00 1.90 H new ATOM 0 HE1 PHE A 22 -2.260 -5.870 4.088 1.00 1.44 H new ATOM 0 HE2 PHE A 22 -4.840 -4.315 1.125 1.00 2.00 H new ATOM 0 HZ PHE A 22 -3.683 -4.069 3.258 1.00 0.99 H new ATOM 334 N GLU A 23 -4.445 -11.081 -1.212 1.00 0.90 N ATOM 335 CA GLU A 23 -4.079 -12.109 -2.171 1.00 0.92 C ATOM 336 C GLU A 23 -3.226 -11.512 -3.292 1.00 0.95 C ATOM 337 O GLU A 23 -3.475 -10.392 -3.735 1.00 1.52 O ATOM 338 CB GLU A 23 -5.323 -12.799 -2.736 1.00 1.01 C ATOM 339 CG GLU A 23 -6.096 -11.860 -3.664 1.00 1.82 C ATOM 340 CD GLU A 23 -7.462 -12.448 -4.024 1.00 1.96 C ATOM 341 OE1 GLU A 23 -8.179 -12.840 -3.078 1.00 2.34 O ATOM 342 OE2 GLU A 23 -7.759 -12.492 -5.237 1.00 3.00 O ATOM 0 H GLU A 23 -5.233 -10.497 -1.493 1.00 0.90 H new ATOM 0 HA GLU A 23 -3.487 -12.865 -1.655 1.00 0.92 H new ATOM 0 HB2 GLU A 23 -5.030 -13.696 -3.282 1.00 1.01 H new ATOM 0 HB3 GLU A 23 -5.968 -13.120 -1.918 1.00 1.01 H new ATOM 0 HG2 GLU A 23 -6.229 -10.892 -3.180 1.00 1.82 H new ATOM 0 HG3 GLU A 23 -5.520 -11.686 -4.573 1.00 1.82 H new ATOM 349 N LEU A 24 -2.239 -12.286 -3.717 1.00 1.28 N ATOM 350 CA LEU A 24 -1.222 -11.773 -4.620 1.00 1.26 C ATOM 351 C LEU A 24 -1.401 -12.412 -5.998 1.00 1.13 C ATOM 352 O LEU A 24 -1.548 -13.628 -6.109 1.00 1.39 O ATOM 353 CB LEU A 24 0.173 -11.976 -4.026 1.00 1.59 C ATOM 354 CG LEU A 24 1.218 -10.919 -4.390 1.00 1.84 C ATOM 355 CD1 LEU A 24 0.741 -9.519 -4.000 1.00 1.88 C ATOM 356 CD2 LEU A 24 2.577 -11.255 -3.774 1.00 3.24 C ATOM 0 H LEU A 24 -2.121 -13.264 -3.453 1.00 1.28 H new ATOM 0 HA LEU A 24 -1.335 -10.697 -4.749 1.00 1.26 H new ATOM 0 HB2 LEU A 24 0.082 -12.010 -2.940 1.00 1.59 H new ATOM 0 HB3 LEU A 24 0.544 -12.950 -4.345 1.00 1.59 H new ATOM 0 HG LEU A 24 1.346 -10.925 -5.472 1.00 1.84 H new ATOM 0 HD11 LEU A 24 1.502 -8.787 -4.270 1.00 1.88 H new ATOM 0 HD12 LEU A 24 -0.185 -9.290 -4.527 1.00 1.88 H new ATOM 0 HD13 LEU A 24 0.566 -9.481 -2.925 1.00 1.88 H new ATOM 0 HD21 LEU A 24 3.301 -10.488 -4.049 1.00 3.24 H new ATOM 0 HD22 LEU A 24 2.485 -11.295 -2.689 1.00 3.24 H new ATOM 0 HD23 LEU A 24 2.916 -12.222 -4.145 1.00 3.24 H new ATOM 368 N PHE A 25 -1.384 -11.562 -7.016 1.00 0.91 N ATOM 369 CA PHE A 25 -1.522 -12.031 -8.384 1.00 0.79 C ATOM 370 C PHE A 25 -0.152 -12.219 -9.039 1.00 0.87 C ATOM 371 O PHE A 25 0.242 -11.433 -9.900 1.00 1.00 O ATOM 372 CB PHE A 25 -2.296 -10.956 -9.149 1.00 0.77 C ATOM 373 CG PHE A 25 -3.692 -10.676 -8.587 1.00 0.69 C ATOM 374 CD1 PHE A 25 -4.543 -11.706 -8.334 1.00 1.61 C ATOM 375 CD2 PHE A 25 -4.081 -9.397 -8.340 1.00 1.84 C ATOM 376 CE1 PHE A 25 -5.837 -11.447 -7.813 1.00 1.54 C ATOM 377 CE2 PHE A 25 -5.376 -9.137 -7.819 1.00 2.04 C ATOM 378 CZ PHE A 25 -6.227 -10.168 -7.566 1.00 1.02 C ATOM 0 H PHE A 25 -1.277 -10.552 -6.920 1.00 0.91 H new ATOM 0 HA PHE A 25 -2.037 -12.991 -8.398 1.00 0.79 H new ATOM 0 HB2 PHE A 25 -1.719 -10.031 -9.139 1.00 0.77 H new ATOM 0 HB3 PHE A 25 -2.390 -11.262 -10.191 1.00 0.77 H new ATOM 0 HD1 PHE A 25 -4.234 -12.722 -8.530 1.00 1.61 H new ATOM 0 HD2 PHE A 25 -3.405 -8.579 -8.540 1.00 1.84 H new ATOM 0 HE1 PHE A 25 -6.512 -12.266 -7.613 1.00 1.54 H new ATOM 0 HE2 PHE A 25 -5.685 -8.121 -7.624 1.00 2.04 H new ATOM 0 HZ PHE A 25 -7.212 -9.971 -7.169 1.00 1.02 H new ATOM 388 N ALA A 26 0.537 -13.266 -8.607 1.00 0.92 N ATOM 389 CA ALA A 26 1.853 -13.568 -9.142 1.00 1.05 C ATOM 390 C ALA A 26 1.713 -14.056 -10.585 1.00 0.95 C ATOM 391 O ALA A 26 2.666 -13.993 -11.360 1.00 1.05 O ATOM 392 CB ALA A 26 2.547 -14.593 -8.243 1.00 1.28 C ATOM 0 H ALA A 26 0.208 -13.915 -7.893 1.00 0.92 H new ATOM 0 HA ALA A 26 2.476 -12.674 -9.157 1.00 1.05 H new ATOM 0 HB1 ALA A 26 3.535 -14.820 -8.645 1.00 1.28 H new ATOM 0 HB2 ALA A 26 2.649 -14.185 -7.237 1.00 1.28 H new ATOM 0 HB3 ALA A 26 1.952 -15.506 -8.206 1.00 1.28 H new ATOM 398 N ASP A 27 0.519 -14.532 -10.901 1.00 0.91 N ATOM 399 CA ASP A 27 0.244 -15.041 -12.235 1.00 0.88 C ATOM 400 C ASP A 27 -0.373 -13.927 -13.083 1.00 1.09 C ATOM 401 O ASP A 27 -1.285 -14.173 -13.871 1.00 2.22 O ATOM 402 CB ASP A 27 -0.748 -16.203 -12.188 1.00 1.30 C ATOM 403 CG ASP A 27 -0.557 -17.261 -13.276 1.00 1.92 C ATOM 404 OD1 ASP A 27 -1.102 -17.045 -14.380 1.00 2.17 O ATOM 405 OD2 ASP A 27 0.131 -18.262 -12.980 1.00 3.08 O ATOM 0 H ASP A 27 -0.270 -14.577 -10.257 1.00 0.91 H new ATOM 0 HA ASP A 27 1.184 -15.387 -12.664 1.00 0.88 H new ATOM 0 HB2 ASP A 27 -0.672 -16.687 -11.214 1.00 1.30 H new ATOM 0 HB3 ASP A 27 -1.758 -15.802 -12.266 1.00 1.30 H new ATOM 410 N LYS A 28 0.150 -12.724 -12.894 1.00 0.92 N ATOM 411 CA LYS A 28 -0.352 -11.568 -13.619 1.00 1.05 C ATOM 412 C LYS A 28 0.683 -10.442 -13.552 1.00 0.97 C ATOM 413 O LYS A 28 1.039 -9.861 -14.576 1.00 1.07 O ATOM 414 CB LYS A 28 -1.731 -11.166 -13.095 1.00 1.43 C ATOM 415 CG LYS A 28 -2.638 -10.702 -14.237 1.00 1.28 C ATOM 416 CD LYS A 28 -3.200 -11.897 -15.011 1.00 2.09 C ATOM 417 CE LYS A 28 -4.443 -11.498 -15.808 1.00 2.64 C ATOM 418 NZ LYS A 28 -5.647 -11.538 -14.947 1.00 3.16 N ATOM 0 H LYS A 28 0.915 -12.525 -12.250 1.00 0.92 H new ATOM 0 HA LYS A 28 -0.494 -11.810 -14.672 1.00 1.05 H new ATOM 0 HB2 LYS A 28 -2.190 -12.011 -12.582 1.00 1.43 H new ATOM 0 HB3 LYS A 28 -1.626 -10.367 -12.361 1.00 1.43 H new ATOM 0 HG2 LYS A 28 -3.458 -10.106 -13.836 1.00 1.28 H new ATOM 0 HG3 LYS A 28 -2.076 -10.058 -14.913 1.00 1.28 H new ATOM 0 HD2 LYS A 28 -2.439 -12.287 -15.688 1.00 2.09 H new ATOM 0 HD3 LYS A 28 -3.451 -12.699 -14.317 1.00 2.09 H new ATOM 0 HE2 LYS A 28 -4.314 -10.496 -16.216 1.00 2.64 H new ATOM 0 HE3 LYS A 28 -4.572 -12.173 -16.654 1.00 2.64 H new ATOM 0 HZ1 LYS A 28 -6.481 -11.264 -15.504 1.00 3.16 H new ATOM 0 HZ2 LYS A 28 -5.778 -12.501 -14.578 1.00 3.16 H new ATOM 0 HZ3 LYS A 28 -5.528 -10.876 -14.153 1.00 3.16 H new ATOM 432 N VAL A 29 1.136 -10.168 -12.338 1.00 0.88 N ATOM 433 CA VAL A 29 2.194 -9.194 -12.136 1.00 0.85 C ATOM 434 C VAL A 29 3.198 -9.740 -11.118 1.00 0.86 C ATOM 435 O VAL A 29 3.131 -9.407 -9.935 1.00 0.86 O ATOM 436 CB VAL A 29 1.594 -7.848 -11.721 1.00 0.83 C ATOM 437 CG1 VAL A 29 1.511 -6.894 -12.914 1.00 0.97 C ATOM 438 CG2 VAL A 29 0.221 -8.036 -11.072 1.00 0.86 C ATOM 0 H VAL A 29 0.789 -10.604 -11.484 1.00 0.88 H new ATOM 0 HA VAL A 29 2.736 -9.021 -13.066 1.00 0.85 H new ATOM 0 HB VAL A 29 2.256 -7.400 -10.980 1.00 0.83 H new ATOM 0 HG11 VAL A 29 1.081 -5.945 -12.592 1.00 0.97 H new ATOM 0 HG12 VAL A 29 2.511 -6.723 -13.313 1.00 0.97 H new ATOM 0 HG13 VAL A 29 0.882 -7.333 -13.688 1.00 0.97 H new ATOM 0 HG21 VAL A 29 -0.183 -7.065 -10.787 1.00 0.86 H new ATOM 0 HG22 VAL A 29 -0.454 -8.515 -11.781 1.00 0.86 H new ATOM 0 HG23 VAL A 29 0.320 -8.662 -10.185 1.00 0.86 H new ATOM 448 N PRO A 30 4.127 -10.592 -11.628 1.00 0.95 N ATOM 449 CA PRO A 30 5.121 -11.215 -10.771 1.00 1.06 C ATOM 450 C PRO A 30 6.207 -10.213 -10.372 1.00 1.26 C ATOM 451 O PRO A 30 6.779 -10.311 -9.288 1.00 2.46 O ATOM 452 CB PRO A 30 5.659 -12.385 -11.578 1.00 1.17 C ATOM 453 CG PRO A 30 5.288 -12.099 -13.025 1.00 1.17 C ATOM 454 CD PRO A 30 4.256 -10.982 -13.028 1.00 1.04 C ATOM 0 HA PRO A 30 4.704 -11.560 -9.825 1.00 1.06 H new ATOM 0 HB2 PRO A 30 6.739 -12.476 -11.462 1.00 1.17 H new ATOM 0 HB3 PRO A 30 5.222 -13.325 -11.241 1.00 1.17 H new ATOM 0 HG2 PRO A 30 6.170 -11.806 -13.595 1.00 1.17 H new ATOM 0 HG3 PRO A 30 4.884 -12.993 -13.500 1.00 1.17 H new ATOM 0 HD2 PRO A 30 4.582 -10.144 -13.644 1.00 1.04 H new ATOM 0 HD3 PRO A 30 3.304 -11.324 -13.433 1.00 1.04 H new ATOM 462 N LYS A 31 6.458 -9.273 -11.271 1.00 0.85 N ATOM 463 CA LYS A 31 7.474 -8.262 -11.032 1.00 0.90 C ATOM 464 C LYS A 31 7.064 -7.409 -9.829 1.00 0.82 C ATOM 465 O LYS A 31 7.906 -7.032 -9.015 1.00 0.90 O ATOM 466 CB LYS A 31 7.730 -7.448 -12.303 1.00 1.06 C ATOM 467 CG LYS A 31 9.145 -6.869 -12.308 1.00 1.85 C ATOM 468 CD LYS A 31 9.433 -6.131 -13.617 1.00 2.19 C ATOM 469 CE LYS A 31 10.791 -5.431 -13.564 1.00 3.35 C ATOM 470 NZ LYS A 31 11.046 -4.698 -14.825 1.00 4.32 N ATOM 0 H LYS A 31 5.976 -9.190 -12.166 1.00 0.85 H new ATOM 0 HA LYS A 31 8.426 -8.730 -10.783 1.00 0.90 H new ATOM 0 HB2 LYS A 31 7.589 -8.081 -13.179 1.00 1.06 H new ATOM 0 HB3 LYS A 31 7.002 -6.640 -12.374 1.00 1.06 H new ATOM 0 HG2 LYS A 31 9.265 -6.185 -11.467 1.00 1.85 H new ATOM 0 HG3 LYS A 31 9.870 -7.671 -12.172 1.00 1.85 H new ATOM 0 HD2 LYS A 31 9.416 -6.836 -14.448 1.00 2.19 H new ATOM 0 HD3 LYS A 31 8.649 -5.398 -13.805 1.00 2.19 H new ATOM 0 HE2 LYS A 31 10.817 -4.739 -12.722 1.00 3.35 H new ATOM 0 HE3 LYS A 31 11.579 -6.165 -13.398 1.00 3.35 H new ATOM 0 HZ1 LYS A 31 12.039 -4.825 -15.106 1.00 4.32 H new ATOM 0 HZ2 LYS A 31 10.425 -5.067 -15.573 1.00 4.32 H new ATOM 0 HZ3 LYS A 31 10.853 -3.686 -14.683 1.00 4.32 H new ATOM 484 N THR A 32 5.771 -7.130 -9.755 1.00 0.87 N ATOM 485 CA THR A 32 5.233 -6.366 -8.643 1.00 0.99 C ATOM 486 C THR A 32 5.150 -7.236 -7.387 1.00 0.95 C ATOM 487 O THR A 32 5.441 -6.772 -6.285 1.00 1.07 O ATOM 488 CB THR A 32 3.883 -5.790 -9.074 1.00 1.21 C ATOM 489 OG1 THR A 32 3.963 -5.742 -10.495 1.00 1.48 O ATOM 490 CG2 THR A 32 3.711 -4.327 -8.660 1.00 1.07 C ATOM 0 H THR A 32 5.080 -7.420 -10.447 1.00 0.87 H new ATOM 0 HA THR A 32 5.888 -5.535 -8.381 1.00 0.99 H new ATOM 0 HB THR A 32 3.080 -6.386 -8.641 1.00 1.21 H new ATOM 0 HG1 THR A 32 3.127 -5.382 -10.858 1.00 1.48 H new ATOM 0 HG21 THR A 32 2.736 -3.968 -8.990 1.00 1.07 H new ATOM 0 HG22 THR A 32 3.779 -4.245 -7.575 1.00 1.07 H new ATOM 0 HG23 THR A 32 4.495 -3.724 -9.119 1.00 1.07 H new ATOM 498 N ALA A 33 4.753 -8.483 -7.595 1.00 0.90 N ATOM 499 CA ALA A 33 4.508 -9.386 -6.484 1.00 0.99 C ATOM 500 C ALA A 33 5.815 -9.618 -5.724 1.00 0.95 C ATOM 501 O ALA A 33 5.836 -9.590 -4.494 1.00 0.98 O ATOM 502 CB ALA A 33 3.899 -10.688 -7.009 1.00 1.04 C ATOM 0 H ALA A 33 4.595 -8.889 -8.517 1.00 0.90 H new ATOM 0 HA ALA A 33 3.793 -8.951 -5.785 1.00 0.99 H new ATOM 0 HB1 ALA A 33 3.715 -11.366 -6.175 1.00 1.04 H new ATOM 0 HB2 ALA A 33 2.958 -10.472 -7.515 1.00 1.04 H new ATOM 0 HB3 ALA A 33 4.589 -11.155 -7.711 1.00 1.04 H new ATOM 508 N GLU A 34 6.875 -9.842 -6.488 1.00 0.93 N ATOM 509 CA GLU A 34 8.162 -10.173 -5.902 1.00 0.98 C ATOM 510 C GLU A 34 8.627 -9.052 -4.971 1.00 0.97 C ATOM 511 O GLU A 34 9.109 -9.314 -3.870 1.00 1.02 O ATOM 512 CB GLU A 34 9.204 -10.451 -6.989 1.00 1.07 C ATOM 513 CG GLU A 34 10.151 -11.575 -6.566 1.00 1.54 C ATOM 514 CD GLU A 34 9.514 -12.946 -6.801 1.00 2.64 C ATOM 515 OE1 GLU A 34 9.093 -13.186 -7.954 1.00 3.83 O ATOM 516 OE2 GLU A 34 9.464 -13.725 -5.825 1.00 3.40 O ATOM 0 H GLU A 34 6.868 -9.801 -7.507 1.00 0.93 H new ATOM 0 HA GLU A 34 8.047 -11.083 -5.313 1.00 0.98 H new ATOM 0 HB2 GLU A 34 8.702 -10.724 -7.917 1.00 1.07 H new ATOM 0 HB3 GLU A 34 9.776 -9.545 -7.190 1.00 1.07 H new ATOM 0 HG2 GLU A 34 11.082 -11.502 -7.128 1.00 1.54 H new ATOM 0 HG3 GLU A 34 10.405 -11.464 -5.512 1.00 1.54 H new ATOM 523 N ASN A 35 8.466 -7.826 -5.447 1.00 0.98 N ATOM 524 CA ASN A 35 8.815 -6.662 -4.651 1.00 1.06 C ATOM 525 C ASN A 35 8.001 -6.671 -3.357 1.00 1.18 C ATOM 526 O ASN A 35 8.549 -6.477 -2.273 1.00 1.78 O ATOM 527 CB ASN A 35 8.498 -5.366 -5.401 1.00 1.19 C ATOM 528 CG ASN A 35 8.858 -4.143 -4.556 1.00 2.00 C ATOM 529 OD1 ASN A 35 9.615 -4.215 -3.602 1.00 2.87 O ATOM 530 ND2 ASN A 35 8.274 -3.017 -4.959 1.00 2.69 N ATOM 0 H ASN A 35 8.098 -7.614 -6.374 1.00 0.98 H new ATOM 0 HA ASN A 35 9.884 -6.705 -4.442 1.00 1.06 H new ATOM 0 HB2 ASN A 35 9.051 -5.340 -6.340 1.00 1.19 H new ATOM 0 HB3 ASN A 35 7.438 -5.338 -5.655 1.00 1.19 H new ATOM 0 HD21 ASN A 35 8.450 -2.145 -4.461 1.00 2.69 H new ATOM 0 HD22 ASN A 35 7.650 -3.026 -5.766 1.00 2.69 H new ATOM 537 N PHE A 36 6.704 -6.898 -3.512 1.00 1.00 N ATOM 538 CA PHE A 36 5.800 -6.885 -2.375 1.00 1.11 C ATOM 539 C PHE A 36 6.157 -7.990 -1.377 1.00 0.96 C ATOM 540 O PHE A 36 6.030 -7.805 -0.169 1.00 1.05 O ATOM 541 CB PHE A 36 4.394 -7.140 -2.918 1.00 1.36 C ATOM 542 CG PHE A 36 3.275 -6.817 -1.926 1.00 1.91 C ATOM 543 CD1 PHE A 36 3.057 -5.531 -1.543 1.00 2.10 C ATOM 544 CD2 PHE A 36 2.499 -7.817 -1.427 1.00 3.28 C ATOM 545 CE1 PHE A 36 2.018 -5.231 -0.621 1.00 2.84 C ATOM 546 CE2 PHE A 36 1.461 -7.517 -0.505 1.00 3.96 C ATOM 547 CZ PHE A 36 1.243 -6.231 -0.122 1.00 3.48 C ATOM 0 H PHE A 36 6.258 -7.092 -4.409 1.00 1.00 H new ATOM 0 HA PHE A 36 5.869 -5.928 -1.857 1.00 1.11 H new ATOM 0 HB2 PHE A 36 4.250 -6.544 -3.819 1.00 1.36 H new ATOM 0 HB3 PHE A 36 4.314 -8.186 -3.212 1.00 1.36 H new ATOM 0 HD1 PHE A 36 3.673 -4.738 -1.939 1.00 2.10 H new ATOM 0 HD2 PHE A 36 2.672 -8.839 -1.732 1.00 3.28 H new ATOM 0 HE1 PHE A 36 1.844 -4.209 -0.317 1.00 2.84 H new ATOM 0 HE2 PHE A 36 0.845 -8.310 -0.108 1.00 3.96 H new ATOM 0 HZ PHE A 36 0.454 -6.003 0.579 1.00 3.48 H new ATOM 557 N ARG A 37 6.596 -9.116 -1.922 1.00 0.93 N ATOM 558 CA ARG A 37 6.980 -10.247 -1.096 1.00 1.01 C ATOM 559 C ARG A 37 8.363 -10.014 -0.486 1.00 0.92 C ATOM 560 O ARG A 37 8.694 -10.588 0.550 1.00 1.13 O ATOM 561 CB ARG A 37 7.001 -11.542 -1.910 1.00 1.19 C ATOM 562 CG ARG A 37 8.433 -12.041 -2.111 1.00 2.08 C ATOM 563 CD ARG A 37 8.474 -13.211 -3.096 1.00 2.58 C ATOM 564 NE ARG A 37 7.783 -14.385 -2.515 1.00 2.54 N ATOM 565 CZ ARG A 37 7.547 -15.523 -3.183 1.00 3.23 C ATOM 566 NH1 ARG A 37 8.040 -15.690 -4.417 1.00 4.06 N ATOM 567 NH2 ARG A 37 6.816 -16.491 -2.615 1.00 4.11 N ATOM 0 H ARG A 37 6.694 -9.268 -2.926 1.00 0.93 H new ATOM 0 HA ARG A 37 6.240 -10.343 -0.301 1.00 1.01 H new ATOM 0 HB2 ARG A 37 6.414 -12.306 -1.400 1.00 1.19 H new ATOM 0 HB3 ARG A 37 6.531 -11.374 -2.879 1.00 1.19 H new ATOM 0 HG2 ARG A 37 9.057 -11.227 -2.481 1.00 2.08 H new ATOM 0 HG3 ARG A 37 8.851 -12.352 -1.154 1.00 2.08 H new ATOM 0 HD2 ARG A 37 7.997 -12.925 -4.034 1.00 2.58 H new ATOM 0 HD3 ARG A 37 9.508 -13.465 -3.329 1.00 2.58 H new ATOM 0 HE ARG A 37 7.467 -14.324 -1.547 1.00 2.54 H new ATOM 0 HH11 ARG A 37 8.595 -14.951 -4.849 1.00 4.06 H new ATOM 0 HH12 ARG A 37 7.860 -16.556 -4.925 1.00 4.06 H new ATOM 0 HH21 ARG A 37 6.440 -16.362 -1.676 1.00 4.11 H new ATOM 0 HH22 ARG A 37 6.635 -17.358 -3.122 1.00 4.11 H new ATOM 581 N ALA A 38 9.136 -9.169 -1.155 1.00 0.73 N ATOM 582 CA ALA A 38 10.438 -8.780 -0.643 1.00 0.81 C ATOM 583 C ALA A 38 10.252 -7.843 0.553 1.00 0.81 C ATOM 584 O ALA A 38 10.873 -8.031 1.597 1.00 0.95 O ATOM 585 CB ALA A 38 11.257 -8.138 -1.765 1.00 0.87 C ATOM 0 H ALA A 38 8.884 -8.744 -2.047 1.00 0.73 H new ATOM 0 HA ALA A 38 10.990 -9.653 -0.295 1.00 0.81 H new ATOM 0 HB1 ALA A 38 12.234 -7.846 -1.381 1.00 0.87 H new ATOM 0 HB2 ALA A 38 11.385 -8.854 -2.577 1.00 0.87 H new ATOM 0 HB3 ALA A 38 10.735 -7.256 -2.138 1.00 0.87 H new ATOM 591 N LEU A 39 9.392 -6.853 0.360 1.00 0.76 N ATOM 592 CA LEU A 39 9.158 -5.853 1.387 1.00 0.89 C ATOM 593 C LEU A 39 8.325 -6.470 2.513 1.00 1.04 C ATOM 594 O LEU A 39 8.047 -5.815 3.516 1.00 1.57 O ATOM 595 CB LEU A 39 8.535 -4.595 0.780 1.00 0.91 C ATOM 596 CG LEU A 39 9.295 -3.970 -0.392 1.00 0.94 C ATOM 597 CD1 LEU A 39 8.420 -2.956 -1.133 1.00 1.24 C ATOM 598 CD2 LEU A 39 10.615 -3.353 0.077 1.00 1.14 C ATOM 0 H LEU A 39 8.849 -6.723 -0.493 1.00 0.76 H new ATOM 0 HA LEU A 39 10.102 -5.532 1.827 1.00 0.89 H new ATOM 0 HB2 LEU A 39 7.526 -4.838 0.445 1.00 0.91 H new ATOM 0 HB3 LEU A 39 8.438 -3.846 1.566 1.00 0.91 H new ATOM 0 HG LEU A 39 9.543 -4.761 -1.100 1.00 0.94 H new ATOM 0 HD11 LEU A 39 8.983 -2.526 -1.961 1.00 1.24 H new ATOM 0 HD12 LEU A 39 7.531 -3.456 -1.519 1.00 1.24 H new ATOM 0 HD13 LEU A 39 8.121 -2.163 -0.447 1.00 1.24 H new ATOM 0 HD21 LEU A 39 11.135 -2.916 -0.775 1.00 1.14 H new ATOM 0 HD22 LEU A 39 10.412 -2.577 0.815 1.00 1.14 H new ATOM 0 HD23 LEU A 39 11.239 -4.126 0.525 1.00 1.14 H new ATOM 610 N SER A 40 7.949 -7.725 2.307 1.00 0.88 N ATOM 611 CA SER A 40 7.142 -8.433 3.286 1.00 1.05 C ATOM 612 C SER A 40 7.977 -8.738 4.531 1.00 1.23 C ATOM 613 O SER A 40 7.681 -8.244 5.619 1.00 1.71 O ATOM 614 CB SER A 40 6.574 -9.726 2.699 1.00 1.41 C ATOM 615 OG SER A 40 5.740 -10.413 3.628 1.00 2.60 O ATOM 0 H SER A 40 8.188 -8.268 1.478 1.00 0.88 H new ATOM 0 HA SER A 40 6.305 -7.793 3.566 1.00 1.05 H new ATOM 0 HB2 SER A 40 6.002 -9.495 1.800 1.00 1.41 H new ATOM 0 HB3 SER A 40 7.394 -10.378 2.397 1.00 1.41 H new ATOM 0 HG SER A 40 5.396 -11.232 3.215 1.00 2.60 H new ATOM 621 N THR A 41 9.004 -9.550 4.332 1.00 1.34 N ATOM 622 CA THR A 41 9.695 -10.172 5.448 1.00 1.86 C ATOM 623 C THR A 41 11.102 -10.604 5.032 1.00 1.85 C ATOM 624 O THR A 41 11.567 -11.675 5.418 1.00 2.64 O ATOM 625 CB THR A 41 8.830 -11.328 5.955 1.00 2.97 C ATOM 626 OG1 THR A 41 9.378 -11.637 7.234 1.00 3.85 O ATOM 627 CG2 THR A 41 9.031 -12.609 5.144 1.00 3.32 C ATOM 0 H THR A 41 9.375 -9.792 3.413 1.00 1.34 H new ATOM 0 HA THR A 41 9.835 -9.467 6.268 1.00 1.86 H new ATOM 0 HB THR A 41 7.780 -11.038 5.920 1.00 2.97 H new ATOM 0 HG1 THR A 41 10.346 -11.764 7.153 1.00 3.85 H new ATOM 0 HG21 THR A 41 8.394 -13.397 5.545 1.00 3.32 H new ATOM 0 HG22 THR A 41 8.768 -12.425 4.102 1.00 3.32 H new ATOM 0 HG23 THR A 41 10.074 -12.919 5.206 1.00 3.32 H new ATOM 635 N GLY A 42 11.742 -9.747 4.250 1.00 1.61 N ATOM 636 CA GLY A 42 13.155 -9.913 3.955 1.00 2.42 C ATOM 637 C GLY A 42 13.510 -9.298 2.600 1.00 2.16 C ATOM 638 O GLY A 42 13.972 -9.997 1.699 1.00 3.55 O ATOM 0 H GLY A 42 11.308 -8.935 3.811 1.00 1.61 H new ATOM 0 HA2 GLY A 42 13.751 -9.444 4.738 1.00 2.42 H new ATOM 0 HA3 GLY A 42 13.408 -10.973 3.954 1.00 2.42 H new ATOM 642 N GLU A 43 13.281 -7.997 2.498 1.00 2.84 N ATOM 643 CA GLU A 43 13.780 -7.236 1.366 1.00 4.53 C ATOM 644 C GLU A 43 15.306 -7.140 1.422 1.00 3.65 C ATOM 645 O GLU A 43 15.854 -6.113 1.818 1.00 4.72 O ATOM 646 CB GLU A 43 13.146 -5.845 1.318 1.00 6.75 C ATOM 647 CG GLU A 43 13.191 -5.270 -0.100 1.00 8.37 C ATOM 648 CD GLU A 43 14.491 -5.658 -0.807 1.00 9.03 C ATOM 649 OE1 GLU A 43 14.572 -6.826 -1.244 1.00 8.77 O ATOM 650 OE2 GLU A 43 15.374 -4.778 -0.894 1.00 10.23 O ATOM 0 H GLU A 43 12.756 -7.451 3.181 1.00 2.84 H new ATOM 0 HA GLU A 43 13.501 -7.759 0.451 1.00 4.53 H new ATOM 0 HB2 GLU A 43 12.112 -5.901 1.659 1.00 6.75 H new ATOM 0 HB3 GLU A 43 13.672 -5.178 2.001 1.00 6.75 H new ATOM 0 HG2 GLU A 43 12.338 -5.636 -0.672 1.00 8.37 H new ATOM 0 HG3 GLU A 43 13.105 -4.184 -0.059 1.00 8.37 H new ATOM 657 N LYS A 44 15.951 -8.227 1.021 1.00 2.53 N ATOM 658 CA LYS A 44 17.403 -8.282 1.028 1.00 2.24 C ATOM 659 C LYS A 44 17.916 -7.902 2.419 1.00 2.49 C ATOM 660 O LYS A 44 19.052 -7.454 2.564 1.00 3.04 O ATOM 661 CB LYS A 44 17.977 -7.418 -0.096 1.00 2.97 C ATOM 662 CG LYS A 44 18.054 -8.204 -1.406 1.00 3.00 C ATOM 663 CD LYS A 44 18.355 -7.276 -2.586 1.00 3.20 C ATOM 664 CE LYS A 44 17.062 -6.763 -3.223 1.00 2.59 C ATOM 665 NZ LYS A 44 17.354 -6.053 -4.487 1.00 3.63 N ATOM 0 H LYS A 44 15.494 -9.076 0.689 1.00 2.53 H new ATOM 0 HA LYS A 44 17.747 -9.296 0.826 1.00 2.24 H new ATOM 0 HB2 LYS A 44 17.355 -6.534 -0.234 1.00 2.97 H new ATOM 0 HB3 LYS A 44 18.971 -7.068 0.181 1.00 2.97 H new ATOM 0 HG2 LYS A 44 18.829 -8.967 -1.332 1.00 3.00 H new ATOM 0 HG3 LYS A 44 17.111 -8.723 -1.579 1.00 3.00 H new ATOM 0 HD2 LYS A 44 18.957 -6.433 -2.246 1.00 3.20 H new ATOM 0 HD3 LYS A 44 18.945 -7.809 -3.331 1.00 3.20 H new ATOM 0 HE2 LYS A 44 16.388 -7.598 -3.415 1.00 2.59 H new ATOM 0 HE3 LYS A 44 16.550 -6.093 -2.532 1.00 2.59 H new ATOM 0 HZ1 LYS A 44 16.620 -5.336 -4.660 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 18.282 -5.589 -4.418 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 17.365 -6.734 -5.273 1.00 3.63 H new ATOM 679 N GLY A 45 17.053 -8.096 3.406 1.00 2.77 N ATOM 680 CA GLY A 45 17.452 -7.924 4.793 1.00 4.07 C ATOM 681 C GLY A 45 16.946 -6.590 5.348 1.00 3.60 C ATOM 682 O GLY A 45 17.655 -5.915 6.091 1.00 4.50 O ATOM 0 H GLY A 45 16.080 -8.370 3.273 1.00 2.77 H new ATOM 0 HA2 GLY A 45 17.058 -8.744 5.393 1.00 4.07 H new ATOM 0 HA3 GLY A 45 18.538 -7.966 4.870 1.00 4.07 H new ATOM 686 N PHE A 46 15.723 -6.253 4.966 1.00 2.57 N ATOM 687 CA PHE A 46 14.998 -5.188 5.636 1.00 2.36 C ATOM 688 C PHE A 46 13.546 -5.126 5.155 1.00 1.92 C ATOM 689 O PHE A 46 13.100 -5.991 4.402 1.00 1.90 O ATOM 690 CB PHE A 46 15.697 -3.875 5.278 1.00 2.51 C ATOM 691 CG PHE A 46 15.590 -3.496 3.799 1.00 2.25 C ATOM 692 CD1 PHE A 46 14.498 -2.825 3.347 1.00 2.30 C ATOM 693 CD2 PHE A 46 16.587 -3.832 2.937 1.00 3.43 C ATOM 694 CE1 PHE A 46 14.399 -2.472 1.975 1.00 2.42 C ATOM 695 CE2 PHE A 46 16.488 -3.480 1.565 1.00 3.42 C ATOM 696 CZ PHE A 46 15.395 -2.808 1.113 1.00 2.36 C ATOM 0 H PHE A 46 15.216 -6.699 4.201 1.00 2.57 H new ATOM 0 HA PHE A 46 14.990 -5.364 6.712 1.00 2.36 H new ATOM 0 HB2 PHE A 46 15.271 -3.072 5.880 1.00 2.51 H new ATOM 0 HB3 PHE A 46 16.750 -3.951 5.548 1.00 2.51 H new ATOM 0 HD1 PHE A 46 13.705 -2.560 4.031 1.00 2.30 H new ATOM 0 HD2 PHE A 46 17.454 -4.367 3.296 1.00 3.43 H new ATOM 0 HE1 PHE A 46 13.532 -1.937 1.616 1.00 2.42 H new ATOM 0 HE2 PHE A 46 17.280 -3.746 0.881 1.00 3.42 H new ATOM 0 HZ PHE A 46 15.319 -2.541 0.069 1.00 2.36 H new ATOM 706 N GLY A 47 12.849 -4.095 5.609 1.00 1.81 N ATOM 707 CA GLY A 47 11.472 -3.882 5.196 1.00 1.62 C ATOM 708 C GLY A 47 10.512 -4.056 6.375 1.00 1.93 C ATOM 709 O GLY A 47 10.925 -4.462 7.460 1.00 3.15 O ATOM 0 H GLY A 47 13.212 -3.398 6.259 1.00 1.81 H new ATOM 0 HA2 GLY A 47 11.364 -2.880 4.780 1.00 1.62 H new ATOM 0 HA3 GLY A 47 11.213 -4.586 4.405 1.00 1.62 H new ATOM 713 N TYR A 48 9.251 -3.741 6.121 1.00 1.36 N ATOM 714 CA TYR A 48 8.194 -4.069 7.062 1.00 2.08 C ATOM 715 C TYR A 48 8.636 -3.794 8.501 1.00 1.86 C ATOM 716 O TYR A 48 8.257 -4.518 9.420 1.00 2.95 O ATOM 717 CB TYR A 48 7.933 -5.568 6.899 1.00 3.15 C ATOM 718 CG TYR A 48 9.135 -6.449 7.243 1.00 5.31 C ATOM 719 CD1 TYR A 48 10.087 -6.723 6.282 1.00 6.25 C ATOM 720 CD2 TYR A 48 9.267 -6.970 8.514 1.00 6.91 C ATOM 721 CE1 TYR A 48 11.219 -7.554 6.606 1.00 8.45 C ATOM 722 CE2 TYR A 48 10.399 -7.800 8.837 1.00 9.13 C ATOM 723 CZ TYR A 48 11.318 -8.050 7.868 1.00 9.66 C ATOM 724 OH TYR A 48 12.387 -8.835 8.174 1.00 11.84 O ATOM 0 H TYR A 48 8.937 -3.262 5.277 1.00 1.36 H new ATOM 0 HA TYR A 48 7.307 -3.467 6.867 1.00 2.08 H new ATOM 0 HB2 TYR A 48 7.094 -5.852 7.534 1.00 3.15 H new ATOM 0 HB3 TYR A 48 7.634 -5.765 5.869 1.00 3.15 H new ATOM 0 HD1 TYR A 48 9.984 -6.315 5.287 1.00 6.25 H new ATOM 0 HD2 TYR A 48 8.522 -6.756 9.266 1.00 6.91 H new ATOM 0 HE1 TYR A 48 11.971 -7.777 5.864 1.00 8.45 H new ATOM 0 HE2 TYR A 48 10.515 -8.214 9.828 1.00 9.13 H new ATOM 0 HH TYR A 48 12.328 -9.117 9.111 1.00 11.84 H new ATOM 734 N LYS A 49 9.432 -2.745 8.651 1.00 1.16 N ATOM 735 CA LYS A 49 9.964 -2.390 9.956 1.00 1.45 C ATOM 736 C LYS A 49 10.549 -0.979 9.897 1.00 1.73 C ATOM 737 O LYS A 49 11.765 -0.809 9.826 1.00 2.01 O ATOM 738 CB LYS A 49 10.960 -3.449 10.435 1.00 1.64 C ATOM 739 CG LYS A 49 11.266 -3.279 11.924 1.00 2.24 C ATOM 740 CD LYS A 49 10.075 -3.709 12.782 1.00 2.24 C ATOM 741 CE LYS A 49 9.671 -5.153 12.475 1.00 2.14 C ATOM 742 NZ LYS A 49 9.038 -5.777 13.659 1.00 2.64 N ATOM 0 H LYS A 49 9.721 -2.130 7.891 1.00 1.16 H new ATOM 0 HA LYS A 49 9.168 -2.374 10.700 1.00 1.45 H new ATOM 0 HB2 LYS A 49 10.553 -4.444 10.255 1.00 1.64 H new ATOM 0 HB3 LYS A 49 11.882 -3.373 9.859 1.00 1.64 H new ATOM 0 HG2 LYS A 49 12.142 -3.871 12.189 1.00 2.24 H new ATOM 0 HG3 LYS A 49 11.511 -2.237 12.132 1.00 2.24 H new ATOM 0 HD2 LYS A 49 10.330 -3.616 13.838 1.00 2.24 H new ATOM 0 HD3 LYS A 49 9.231 -3.044 12.598 1.00 2.24 H new ATOM 0 HE2 LYS A 49 8.979 -5.172 11.633 1.00 2.14 H new ATOM 0 HE3 LYS A 49 10.549 -5.728 12.179 1.00 2.14 H new ATOM 0 HZ1 LYS A 49 9.017 -6.810 13.537 1.00 2.64 H new ATOM 0 HZ2 LYS A 49 9.586 -5.540 14.511 1.00 2.64 H new ATOM 0 HZ3 LYS A 49 8.066 -5.420 13.762 1.00 2.64 H new ATOM 756 N GLY A 50 9.656 -0.001 9.928 1.00 1.97 N ATOM 757 CA GLY A 50 10.070 1.392 9.915 1.00 2.45 C ATOM 758 C GLY A 50 8.871 2.319 9.707 1.00 2.04 C ATOM 759 O GLY A 50 8.865 3.134 8.786 1.00 3.03 O ATOM 0 H GLY A 50 8.647 -0.146 9.962 1.00 1.97 H new ATOM 0 HA2 GLY A 50 10.565 1.637 10.855 1.00 2.45 H new ATOM 0 HA3 GLY A 50 10.799 1.551 9.120 1.00 2.45 H new ATOM 763 N SER A 51 7.884 2.163 10.576 1.00 1.65 N ATOM 764 CA SER A 51 6.685 2.980 10.502 1.00 2.11 C ATOM 765 C SER A 51 5.960 2.726 9.180 1.00 1.76 C ATOM 766 O SER A 51 6.417 1.931 8.360 1.00 3.00 O ATOM 767 CB SER A 51 7.020 4.466 10.648 1.00 3.86 C ATOM 768 OG SER A 51 7.789 4.728 11.819 1.00 5.30 O ATOM 0 H SER A 51 7.890 1.482 11.336 1.00 1.65 H new ATOM 0 HA SER A 51 6.030 2.701 11.327 1.00 2.11 H new ATOM 0 HB2 SER A 51 7.572 4.801 9.770 1.00 3.86 H new ATOM 0 HB3 SER A 51 6.096 5.044 10.684 1.00 3.86 H new ATOM 0 HG SER A 51 7.434 5.520 12.273 1.00 5.30 H new ATOM 774 N CYS A 52 4.842 3.418 9.012 1.00 1.70 N ATOM 775 CA CYS A 52 4.124 3.385 7.749 1.00 2.82 C ATOM 776 C CYS A 52 3.242 4.632 7.666 1.00 1.84 C ATOM 777 O CYS A 52 2.077 4.548 7.279 1.00 2.64 O ATOM 778 CB CYS A 52 3.309 2.099 7.596 1.00 4.90 C ATOM 779 SG CYS A 52 1.819 2.171 8.656 1.00 5.75 S ATOM 0 H CYS A 52 4.416 4.005 9.730 1.00 1.70 H new ATOM 0 HA CYS A 52 4.835 3.388 6.923 1.00 2.82 H new ATOM 0 HB2 CYS A 52 3.018 1.965 6.554 1.00 4.90 H new ATOM 0 HB3 CYS A 52 3.919 1.238 7.870 1.00 4.90 H new ATOM 0 HG CYS A 52 1.214 3.308 8.478 1.00 5.75 H new ATOM 785 N PHE A 53 3.831 5.761 8.035 1.00 1.93 N ATOM 786 CA PHE A 53 3.133 7.032 7.950 1.00 2.27 C ATOM 787 C PHE A 53 2.980 7.477 6.494 1.00 1.72 C ATOM 788 O PHE A 53 3.834 7.184 5.659 1.00 2.86 O ATOM 789 CB PHE A 53 3.983 8.060 8.698 1.00 4.41 C ATOM 790 CG PHE A 53 4.240 7.705 10.164 1.00 5.29 C ATOM 791 CD1 PHE A 53 3.195 7.433 10.991 1.00 5.38 C ATOM 792 CD2 PHE A 53 5.513 7.663 10.640 1.00 6.70 C ATOM 793 CE1 PHE A 53 3.433 7.104 12.352 1.00 6.90 C ATOM 794 CE2 PHE A 53 5.752 7.334 12.000 1.00 7.96 C ATOM 795 CZ PHE A 53 4.707 7.062 12.828 1.00 8.03 C ATOM 0 H PHE A 53 4.784 5.821 8.394 1.00 1.93 H new ATOM 0 HA PHE A 53 2.136 6.938 8.380 1.00 2.27 H new ATOM 0 HB2 PHE A 53 4.940 8.166 8.187 1.00 4.41 H new ATOM 0 HB3 PHE A 53 3.487 9.030 8.651 1.00 4.41 H new ATOM 0 HD1 PHE A 53 2.184 7.467 10.613 1.00 5.38 H new ATOM 0 HD2 PHE A 53 6.342 7.880 9.983 1.00 6.70 H new ATOM 0 HE1 PHE A 53 2.603 6.887 13.009 1.00 6.90 H new ATOM 0 HE2 PHE A 53 6.763 7.300 12.378 1.00 7.96 H new ATOM 0 HZ PHE A 53 4.889 6.813 13.863 1.00 8.03 H new ATOM 805 N HIS A 54 1.886 8.178 6.234 1.00 1.42 N ATOM 806 CA HIS A 54 1.724 8.870 4.967 1.00 1.40 C ATOM 807 C HIS A 54 0.510 9.799 5.041 1.00 1.29 C ATOM 808 O HIS A 54 0.661 11.014 5.152 1.00 1.92 O ATOM 809 CB HIS A 54 1.637 7.873 3.810 1.00 1.94 C ATOM 810 CG HIS A 54 2.411 8.288 2.582 1.00 2.00 C ATOM 811 ND1 HIS A 54 2.988 7.376 1.715 1.00 1.84 N ATOM 812 CD2 HIS A 54 2.696 9.526 2.084 1.00 3.18 C ATOM 813 CE1 HIS A 54 3.591 8.046 0.744 1.00 2.42 C ATOM 814 NE2 HIS A 54 3.409 9.378 0.974 1.00 3.49 N ATOM 0 H HIS A 54 1.103 8.281 6.880 1.00 1.42 H new ATOM 0 HA HIS A 54 2.600 9.488 4.772 1.00 1.40 H new ATOM 0 HB2 HIS A 54 2.006 6.905 4.149 1.00 1.94 H new ATOM 0 HB3 HIS A 54 0.590 7.738 3.538 1.00 1.94 H new ATOM 0 HD1 HIS A 54 2.955 6.361 1.808 1.00 1.84 H new ATOM 0 HD2 HIS A 54 2.393 10.467 2.519 1.00 3.18 H new ATOM 0 HE1 HIS A 54 4.132 7.613 -0.085 1.00 2.42 H new ATOM 822 N ARG A 55 -0.665 9.191 4.977 1.00 0.86 N ATOM 823 CA ARG A 55 -1.901 9.954 4.939 1.00 0.95 C ATOM 824 C ARG A 55 -3.104 9.012 4.858 1.00 0.78 C ATOM 825 O ARG A 55 -3.083 8.036 4.108 1.00 0.91 O ATOM 826 CB ARG A 55 -1.925 10.904 3.740 1.00 1.35 C ATOM 827 CG ARG A 55 -2.955 12.017 3.944 1.00 2.03 C ATOM 828 CD ARG A 55 -3.365 12.635 2.606 1.00 2.00 C ATOM 829 NE ARG A 55 -2.508 13.803 2.304 1.00 2.22 N ATOM 830 CZ ARG A 55 -2.469 14.919 3.045 1.00 3.47 C ATOM 831 NH1 ARG A 55 -3.443 15.169 3.930 1.00 4.45 N ATOM 832 NH2 ARG A 55 -1.455 15.783 2.901 1.00 4.34 N ATOM 0 H ARG A 55 -0.788 8.179 4.950 1.00 0.86 H new ATOM 0 HA ARG A 55 -1.956 10.542 5.855 1.00 0.95 H new ATOM 0 HB2 ARG A 55 -0.936 11.340 3.597 1.00 1.35 H new ATOM 0 HB3 ARG A 55 -2.161 10.346 2.834 1.00 1.35 H new ATOM 0 HG2 ARG A 55 -3.834 11.616 4.448 1.00 2.03 H new ATOM 0 HG3 ARG A 55 -2.539 12.788 4.593 1.00 2.03 H new ATOM 0 HD2 ARG A 55 -3.277 11.894 1.812 1.00 2.00 H new ATOM 0 HD3 ARG A 55 -4.411 12.941 2.642 1.00 2.00 H new ATOM 0 HE ARG A 55 -1.909 13.756 1.480 1.00 2.22 H new ATOM 0 HH11 ARG A 55 -4.214 14.510 4.040 1.00 4.45 H new ATOM 0 HH12 ARG A 55 -3.414 16.018 4.494 1.00 4.45 H new ATOM 0 HH21 ARG A 55 -0.713 15.591 2.228 1.00 4.34 H new ATOM 0 HH22 ARG A 55 -1.425 16.633 3.465 1.00 4.34 H new ATOM 846 N ILE A 56 -4.123 9.336 5.641 1.00 0.74 N ATOM 847 CA ILE A 56 -5.364 8.581 5.603 1.00 0.70 C ATOM 848 C ILE A 56 -6.540 9.549 5.454 1.00 0.68 C ATOM 849 O ILE A 56 -6.556 10.612 6.072 1.00 0.82 O ATOM 850 CB ILE A 56 -5.472 7.667 6.825 1.00 0.73 C ATOM 851 CG1 ILE A 56 -4.520 6.476 6.704 1.00 1.00 C ATOM 852 CG2 ILE A 56 -6.918 7.223 7.051 1.00 0.86 C ATOM 853 CD1 ILE A 56 -4.898 5.368 7.689 1.00 1.44 C ATOM 0 H ILE A 56 -4.115 10.110 6.305 1.00 0.74 H new ATOM 0 HA ILE A 56 -5.382 7.920 4.736 1.00 0.70 H new ATOM 0 HB ILE A 56 -5.168 8.235 7.704 1.00 0.73 H new ATOM 0 HG12 ILE A 56 -4.547 6.087 5.686 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -3.498 6.803 6.894 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -6.967 6.574 7.926 1.00 0.86 H new ATOM 0 HG22 ILE A 56 -7.546 8.099 7.213 1.00 0.86 H new ATOM 0 HG23 ILE A 56 -7.273 6.679 6.176 1.00 0.86 H new ATOM 0 HD11 ILE A 56 -4.205 4.534 7.582 1.00 1.44 H new ATOM 0 HD12 ILE A 56 -4.847 5.753 8.707 1.00 1.44 H new ATOM 0 HD13 ILE A 56 -5.912 5.027 7.481 1.00 1.44 H new ATOM 865 N ILE A 57 -7.496 9.147 4.629 1.00 0.66 N ATOM 866 CA ILE A 57 -8.702 9.933 4.441 1.00 0.68 C ATOM 867 C ILE A 57 -9.926 9.039 4.648 1.00 0.72 C ATOM 868 O ILE A 57 -9.999 7.943 4.093 1.00 0.75 O ATOM 869 CB ILE A 57 -8.677 10.637 3.083 1.00 0.74 C ATOM 870 CG1 ILE A 57 -7.694 11.809 3.090 1.00 0.93 C ATOM 871 CG2 ILE A 57 -10.083 11.071 2.664 1.00 0.79 C ATOM 872 CD1 ILE A 57 -7.200 12.121 1.677 1.00 0.84 C ATOM 0 H ILE A 57 -7.459 8.286 4.083 1.00 0.66 H new ATOM 0 HA ILE A 57 -8.758 10.728 5.185 1.00 0.68 H new ATOM 0 HB ILE A 57 -8.324 9.925 2.337 1.00 0.74 H new ATOM 0 HG12 ILE A 57 -8.177 12.690 3.513 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -6.845 11.572 3.731 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.037 11.569 1.695 1.00 0.79 H new ATOM 0 HG22 ILE A 57 -10.728 10.195 2.591 1.00 0.79 H new ATOM 0 HG23 ILE A 57 -10.488 11.759 3.406 1.00 0.79 H new ATOM 0 HD11 ILE A 57 -6.503 12.958 1.712 1.00 0.84 H new ATOM 0 HD12 ILE A 57 -6.696 11.246 1.266 1.00 0.84 H new ATOM 0 HD13 ILE A 57 -8.048 12.382 1.044 1.00 0.84 H new ATOM 884 N PRO A 58 -10.882 9.553 5.468 1.00 0.79 N ATOM 885 CA PRO A 58 -12.120 8.834 5.717 1.00 0.90 C ATOM 886 C PRO A 58 -13.057 8.922 4.510 1.00 0.92 C ATOM 887 O PRO A 58 -13.685 9.955 4.282 1.00 1.12 O ATOM 888 CB PRO A 58 -12.700 9.472 6.968 1.00 1.01 C ATOM 889 CG PRO A 58 -12.012 10.820 7.106 1.00 0.98 C ATOM 890 CD PRO A 58 -10.810 10.828 6.175 1.00 0.83 C ATOM 0 HA PRO A 58 -11.964 7.766 5.867 1.00 0.90 H new ATOM 0 HB2 PRO A 58 -13.780 9.592 6.880 1.00 1.01 H new ATOM 0 HB3 PRO A 58 -12.518 8.849 7.844 1.00 1.01 H new ATOM 0 HG2 PRO A 58 -12.699 11.627 6.850 1.00 0.98 H new ATOM 0 HG3 PRO A 58 -11.698 10.984 8.137 1.00 0.98 H new ATOM 0 HD2 PRO A 58 -10.851 11.668 5.482 1.00 0.83 H new ATOM 0 HD3 PRO A 58 -9.878 10.920 6.732 1.00 0.83 H new ATOM 898 N GLY A 59 -13.124 7.824 3.771 1.00 0.83 N ATOM 899 CA GLY A 59 -13.982 7.760 2.601 1.00 0.86 C ATOM 900 C GLY A 59 -13.172 7.953 1.317 1.00 0.76 C ATOM 901 O GLY A 59 -13.560 8.728 0.444 1.00 0.92 O ATOM 0 H GLY A 59 -12.597 6.971 3.961 1.00 0.83 H new ATOM 0 HA2 GLY A 59 -14.493 6.797 2.572 1.00 0.86 H new ATOM 0 HA3 GLY A 59 -14.753 8.528 2.668 1.00 0.86 H new ATOM 905 N PHE A 60 -12.062 7.235 1.241 1.00 0.61 N ATOM 906 CA PHE A 60 -11.228 7.266 0.051 1.00 0.56 C ATOM 907 C PHE A 60 -10.310 6.043 -0.007 1.00 0.57 C ATOM 908 O PHE A 60 -10.452 5.199 -0.890 1.00 0.65 O ATOM 909 CB PHE A 60 -10.371 8.530 0.138 1.00 0.54 C ATOM 910 CG PHE A 60 -9.510 8.784 -1.101 1.00 0.54 C ATOM 911 CD1 PHE A 60 -9.722 8.064 -2.236 1.00 1.74 C ATOM 912 CD2 PHE A 60 -8.533 9.729 -1.069 1.00 1.70 C ATOM 913 CE1 PHE A 60 -8.923 8.300 -3.386 1.00 1.80 C ATOM 914 CE2 PHE A 60 -7.734 9.964 -2.219 1.00 1.67 C ATOM 915 CZ PHE A 60 -7.947 9.245 -3.353 1.00 0.64 C ATOM 0 H PHE A 60 -11.720 6.627 1.985 1.00 0.61 H new ATOM 0 HA PHE A 60 -11.853 7.260 -0.842 1.00 0.56 H new ATOM 0 HB2 PHE A 60 -11.023 9.389 0.297 1.00 0.54 H new ATOM 0 HB3 PHE A 60 -9.722 8.457 1.010 1.00 0.54 H new ATOM 0 HD1 PHE A 60 -10.498 7.313 -2.262 1.00 1.74 H new ATOM 0 HD2 PHE A 60 -8.365 10.301 -0.169 1.00 1.70 H new ATOM 0 HE1 PHE A 60 -9.091 7.728 -4.287 1.00 1.80 H new ATOM 0 HE2 PHE A 60 -6.957 10.714 -2.193 1.00 1.67 H new ATOM 0 HZ PHE A 60 -7.340 9.425 -4.228 1.00 0.64 H new ATOM 925 N MET A 61 -9.390 5.989 0.944 1.00 0.57 N ATOM 926 CA MET A 61 -8.346 4.978 0.918 1.00 0.65 C ATOM 927 C MET A 61 -7.524 5.006 2.208 1.00 0.65 C ATOM 928 O MET A 61 -7.604 5.961 2.979 1.00 0.60 O ATOM 929 CB MET A 61 -7.426 5.225 -0.279 1.00 0.71 C ATOM 930 CG MET A 61 -6.308 6.207 0.081 1.00 0.94 C ATOM 931 SD MET A 61 -7.009 7.752 0.634 1.00 1.80 S ATOM 932 CE MET A 61 -5.697 8.324 1.700 1.00 1.34 C ATOM 0 H MET A 61 -9.345 6.628 1.737 1.00 0.57 H new ATOM 0 HA MET A 61 -8.816 3.999 0.830 1.00 0.65 H new ATOM 0 HB2 MET A 61 -6.993 4.281 -0.610 1.00 0.71 H new ATOM 0 HB3 MET A 61 -8.007 5.619 -1.113 1.00 0.71 H new ATOM 0 HG2 MET A 61 -5.678 5.783 0.863 1.00 0.94 H new ATOM 0 HG3 MET A 61 -5.669 6.377 -0.786 1.00 0.94 H new ATOM 0 HE1 MET A 61 -6.062 9.144 2.318 1.00 1.34 H new ATOM 0 HE2 MET A 61 -5.366 7.506 2.340 1.00 1.34 H new ATOM 0 HE3 MET A 61 -4.861 8.672 1.093 1.00 1.34 H new ATOM 942 N CYS A 62 -6.753 3.946 2.404 1.00 0.79 N ATOM 943 CA CYS A 62 -5.709 3.956 3.416 1.00 0.80 C ATOM 944 C CYS A 62 -4.379 3.626 2.737 1.00 0.94 C ATOM 945 O CYS A 62 -4.358 3.051 1.651 1.00 1.26 O ATOM 946 CB CYS A 62 -6.023 2.990 4.559 1.00 0.96 C ATOM 947 SG CYS A 62 -7.776 3.156 5.057 1.00 2.37 S ATOM 0 H CYS A 62 -6.830 3.075 1.879 1.00 0.79 H new ATOM 0 HA CYS A 62 -5.647 4.945 3.870 1.00 0.80 H new ATOM 0 HB2 CYS A 62 -5.821 1.966 4.246 1.00 0.96 H new ATOM 0 HB3 CYS A 62 -5.374 3.197 5.410 1.00 0.96 H new ATOM 0 HG CYS A 62 -8.116 2.139 5.792 1.00 2.37 H new ATOM 953 N GLN A 63 -3.300 4.005 3.407 1.00 1.30 N ATOM 954 CA GLN A 63 -1.969 3.786 2.868 1.00 1.58 C ATOM 955 C GLN A 63 -0.914 4.004 3.954 1.00 1.50 C ATOM 956 O GLN A 63 -1.201 4.594 4.993 1.00 1.90 O ATOM 957 CB GLN A 63 -1.711 4.690 1.661 1.00 2.06 C ATOM 958 CG GLN A 63 -1.470 6.135 2.101 1.00 3.26 C ATOM 959 CD GLN A 63 -2.435 7.091 1.397 1.00 4.78 C ATOM 960 OE1 GLN A 63 -3.485 6.706 0.910 1.00 5.42 O ATOM 961 NE2 GLN A 63 -2.022 8.355 1.371 1.00 6.11 N ATOM 0 H GLN A 63 -3.321 4.462 4.318 1.00 1.30 H new ATOM 0 HA GLN A 63 -1.901 2.753 2.527 1.00 1.58 H new ATOM 0 HB2 GLN A 63 -0.846 4.325 1.107 1.00 2.06 H new ATOM 0 HB3 GLN A 63 -2.563 4.650 0.983 1.00 2.06 H new ATOM 0 HG2 GLN A 63 -1.596 6.216 3.181 1.00 3.26 H new ATOM 0 HG3 GLN A 63 -0.442 6.420 1.877 1.00 3.26 H new ATOM 0 HE21 GLN A 63 -1.131 8.609 1.798 1.00 6.11 H new ATOM 0 HE22 GLN A 63 -2.596 9.070 0.924 1.00 6.11 H new ATOM 970 N GLY A 64 0.287 3.518 3.674 1.00 1.32 N ATOM 971 CA GLY A 64 1.461 3.953 4.410 1.00 1.52 C ATOM 972 C GLY A 64 2.697 3.973 3.508 1.00 1.65 C ATOM 973 O GLY A 64 3.169 5.040 3.118 1.00 3.00 O ATOM 0 H GLY A 64 0.472 2.827 2.947 1.00 1.32 H new ATOM 0 HA2 GLY A 64 1.289 4.948 4.820 1.00 1.52 H new ATOM 0 HA3 GLY A 64 1.633 3.286 5.254 1.00 1.52 H new ATOM 977 N GLY A 65 3.186 2.780 3.203 1.00 2.01 N ATOM 978 CA GLY A 65 4.088 2.606 2.076 1.00 2.71 C ATOM 979 C GLY A 65 5.480 3.154 2.398 1.00 2.11 C ATOM 980 O GLY A 65 6.405 2.390 2.667 1.00 2.84 O ATOM 0 H GLY A 65 2.975 1.924 3.716 1.00 2.01 H new ATOM 0 HA2 GLY A 65 4.159 1.548 1.823 1.00 2.71 H new ATOM 0 HA3 GLY A 65 3.686 3.117 1.201 1.00 2.71 H new ATOM 984 N ASP A 66 5.584 4.474 2.359 1.00 2.51 N ATOM 985 CA ASP A 66 6.878 5.126 2.465 1.00 2.51 C ATOM 986 C ASP A 66 7.653 4.524 3.638 1.00 1.99 C ATOM 987 O ASP A 66 7.056 4.076 4.616 1.00 2.44 O ATOM 988 CB ASP A 66 6.721 6.626 2.722 1.00 3.31 C ATOM 989 CG ASP A 66 7.881 7.492 2.227 1.00 4.32 C ATOM 990 OD1 ASP A 66 9.036 7.051 2.409 1.00 4.74 O ATOM 991 OD2 ASP A 66 7.586 8.576 1.678 1.00 5.44 O ATOM 0 H ASP A 66 4.793 5.110 2.255 1.00 2.51 H new ATOM 0 HA ASP A 66 7.409 4.975 1.525 1.00 2.51 H new ATOM 0 HB2 ASP A 66 5.803 6.967 2.244 1.00 3.31 H new ATOM 0 HB3 ASP A 66 6.600 6.785 3.794 1.00 3.31 H new ATOM 996 N PHE A 67 8.971 4.533 3.503 1.00 1.82 N ATOM 997 CA PHE A 67 9.820 3.752 4.387 1.00 1.87 C ATOM 998 C PHE A 67 11.207 4.386 4.516 1.00 1.81 C ATOM 999 O PHE A 67 12.220 3.710 4.343 1.00 2.49 O ATOM 1000 CB PHE A 67 9.963 2.364 3.760 1.00 2.38 C ATOM 1001 CG PHE A 67 10.889 1.424 4.534 1.00 2.62 C ATOM 1002 CD1 PHE A 67 10.536 0.989 5.773 1.00 3.81 C ATOM 1003 CD2 PHE A 67 12.066 1.023 3.982 1.00 3.27 C ATOM 1004 CE1 PHE A 67 11.396 0.117 6.491 1.00 4.85 C ATOM 1005 CE2 PHE A 67 12.926 0.151 4.700 1.00 4.30 C ATOM 1006 CZ PHE A 67 12.573 -0.284 5.939 1.00 4.83 C ATOM 0 H PHE A 67 9.472 5.069 2.794 1.00 1.82 H new ATOM 0 HA PHE A 67 9.377 3.705 5.382 1.00 1.87 H new ATOM 0 HB2 PHE A 67 8.976 1.906 3.687 1.00 2.38 H new ATOM 0 HB3 PHE A 67 10.340 2.473 2.743 1.00 2.38 H new ATOM 0 HD1 PHE A 67 9.601 1.307 6.211 1.00 3.81 H new ATOM 0 HD2 PHE A 67 12.346 1.368 2.998 1.00 3.27 H new ATOM 0 HE1 PHE A 67 11.116 -0.228 7.475 1.00 4.85 H new ATOM 0 HE2 PHE A 67 13.861 -0.167 4.262 1.00 4.30 H new ATOM 0 HZ PHE A 67 13.227 -0.948 6.485 1.00 4.83 H new ATOM 1016 N THR A 68 11.207 5.675 4.820 1.00 1.89 N ATOM 1017 CA THR A 68 12.446 6.371 5.124 1.00 2.36 C ATOM 1018 C THR A 68 12.162 7.832 5.479 1.00 2.44 C ATOM 1019 O THR A 68 12.553 8.303 6.546 1.00 3.16 O ATOM 1020 CB THR A 68 13.387 6.208 3.928 1.00 2.93 C ATOM 1021 OG1 THR A 68 14.449 5.403 4.431 1.00 3.56 O ATOM 1022 CG2 THR A 68 14.068 7.520 3.536 1.00 3.73 C ATOM 0 H THR A 68 10.370 6.256 4.862 1.00 1.89 H new ATOM 0 HA THR A 68 12.935 5.944 6.000 1.00 2.36 H new ATOM 0 HB THR A 68 12.828 5.821 3.076 1.00 2.93 H new ATOM 0 HG1 THR A 68 14.122 4.493 4.592 1.00 3.56 H new ATOM 0 HG21 THR A 68 14.724 7.349 2.683 1.00 3.73 H new ATOM 0 HG22 THR A 68 13.311 8.257 3.269 1.00 3.73 H new ATOM 0 HG23 THR A 68 14.655 7.891 4.376 1.00 3.73 H new ATOM 1030 N ARG A 69 11.486 8.510 4.564 1.00 2.33 N ATOM 1031 CA ARG A 69 11.278 9.942 4.694 1.00 2.97 C ATOM 1032 C ARG A 69 9.827 10.234 5.084 1.00 3.26 C ATOM 1033 O ARG A 69 9.556 11.188 5.811 1.00 4.12 O ATOM 1034 CB ARG A 69 11.605 10.668 3.387 1.00 3.29 C ATOM 1035 CG ARG A 69 12.508 11.875 3.642 1.00 4.17 C ATOM 1036 CD ARG A 69 11.743 12.993 4.353 1.00 5.78 C ATOM 1037 NE ARG A 69 12.598 14.194 4.475 1.00 6.63 N ATOM 1038 CZ ARG A 69 12.193 15.355 5.010 1.00 8.02 C ATOM 1039 NH1 ARG A 69 10.937 15.483 5.460 1.00 8.83 N ATOM 1040 NH2 ARG A 69 13.043 16.387 5.095 1.00 8.90 N ATOM 0 H ARG A 69 11.075 8.094 3.729 1.00 2.33 H new ATOM 0 HA ARG A 69 11.947 10.305 5.474 1.00 2.97 H new ATOM 0 HB2 ARG A 69 12.096 9.981 2.698 1.00 3.29 H new ATOM 0 HB3 ARG A 69 10.682 10.995 2.907 1.00 3.29 H new ATOM 0 HG2 ARG A 69 13.363 11.573 4.247 1.00 4.17 H new ATOM 0 HG3 ARG A 69 12.903 12.245 2.696 1.00 4.17 H new ATOM 0 HD2 ARG A 69 10.838 13.236 3.797 1.00 5.78 H new ATOM 0 HD3 ARG A 69 11.429 12.658 5.342 1.00 5.78 H new ATOM 0 HE ARG A 69 13.556 14.135 4.130 1.00 6.63 H new ATOM 0 HH11 ARG A 69 10.290 14.697 5.395 1.00 8.83 H new ATOM 0 HH12 ARG A 69 10.629 16.366 5.867 1.00 8.83 H new ATOM 0 HH21 ARG A 69 13.999 16.290 4.753 1.00 8.90 H new ATOM 0 HH22 ARG A 69 12.734 17.270 5.502 1.00 8.90 H new ATOM 1054 N HIS A 70 8.933 9.396 4.580 1.00 3.23 N ATOM 1055 CA HIS A 70 7.512 9.584 4.820 1.00 3.94 C ATOM 1056 C HIS A 70 7.072 10.937 4.256 1.00 4.34 C ATOM 1057 O HIS A 70 6.468 11.742 4.963 1.00 5.10 O ATOM 1058 CB HIS A 70 7.187 9.429 6.307 1.00 4.37 C ATOM 1059 CG HIS A 70 7.556 8.081 6.879 1.00 4.10 C ATOM 1060 ND1 HIS A 70 6.800 6.942 6.659 1.00 4.81 N ATOM 1061 CD2 HIS A 70 8.606 7.701 7.662 1.00 3.82 C ATOM 1062 CE1 HIS A 70 7.378 5.928 7.287 1.00 4.65 C ATOM 1063 NE2 HIS A 70 8.498 6.401 7.909 1.00 4.16 N ATOM 0 H HIS A 70 9.165 8.585 4.006 1.00 3.23 H new ATOM 0 HA HIS A 70 6.946 8.810 4.301 1.00 3.94 H new ATOM 0 HB2 HIS A 70 7.710 10.205 6.866 1.00 4.37 H new ATOM 0 HB3 HIS A 70 6.120 9.595 6.454 1.00 4.37 H new ATOM 0 HD1 HIS A 70 5.944 6.892 6.107 1.00 4.81 H new ATOM 0 HD2 HIS A 70 9.393 8.348 8.021 1.00 3.82 H new ATOM 0 HE1 HIS A 70 7.025 4.907 7.304 1.00 4.65 H new ATOM 1071 N ASN A 71 7.389 11.143 2.986 1.00 4.15 N ATOM 1072 CA ASN A 71 6.962 12.347 2.294 1.00 4.76 C ATOM 1073 C ASN A 71 6.833 12.052 0.798 1.00 4.80 C ATOM 1074 O ASN A 71 7.059 12.930 -0.033 1.00 5.23 O ATOM 1075 CB ASN A 71 7.983 13.473 2.467 1.00 4.77 C ATOM 1076 CG ASN A 71 7.883 14.095 3.861 1.00 4.89 C ATOM 1077 OD1 ASN A 71 8.747 13.931 4.707 1.00 4.90 O ATOM 1078 ND2 ASN A 71 6.782 14.816 4.053 1.00 6.04 N ATOM 0 H ASN A 71 7.937 10.496 2.418 1.00 4.15 H new ATOM 0 HA ASN A 71 6.007 12.658 2.717 1.00 4.76 H new ATOM 0 HB2 ASN A 71 8.989 13.084 2.310 1.00 4.77 H new ATOM 0 HB3 ASN A 71 7.816 14.239 1.710 1.00 4.77 H new ATOM 0 HD21 ASN A 71 6.621 15.272 4.951 1.00 6.04 H new ATOM 0 HD22 ASN A 71 6.098 14.913 3.302 1.00 6.04 H new ATOM 1085 N GLY A 72 6.469 10.812 0.501 1.00 4.77 N ATOM 1086 CA GLY A 72 6.223 10.414 -0.874 1.00 5.09 C ATOM 1087 C GLY A 72 7.472 9.788 -1.496 1.00 4.12 C ATOM 1088 O GLY A 72 7.441 8.642 -1.942 1.00 4.74 O ATOM 0 H GLY A 72 6.339 10.071 1.190 1.00 4.77 H new ATOM 0 HA2 GLY A 72 5.399 9.701 -0.908 1.00 5.09 H new ATOM 0 HA3 GLY A 72 5.918 11.282 -1.458 1.00 5.09 H new ATOM 1092 N THR A 73 8.544 10.568 -1.506 1.00 3.28 N ATOM 1093 CA THR A 73 9.781 10.130 -2.128 1.00 3.05 C ATOM 1094 C THR A 73 10.830 9.809 -1.062 1.00 2.55 C ATOM 1095 O THR A 73 11.774 10.573 -0.862 1.00 3.78 O ATOM 1096 CB THR A 73 10.227 11.216 -3.110 1.00 3.38 C ATOM 1097 OG1 THR A 73 10.019 12.434 -2.399 1.00 3.73 O ATOM 1098 CG2 THR A 73 9.299 11.328 -4.321 1.00 3.42 C ATOM 0 H THR A 73 8.581 11.500 -1.093 1.00 3.28 H new ATOM 0 HA THR A 73 9.636 9.205 -2.686 1.00 3.05 H new ATOM 0 HB THR A 73 11.241 11.004 -3.449 1.00 3.38 H new ATOM 0 HG1 THR A 73 10.563 12.434 -1.584 1.00 3.73 H new ATOM 0 HG21 THR A 73 9.661 12.113 -4.985 1.00 3.42 H new ATOM 0 HG22 THR A 73 9.283 10.378 -4.856 1.00 3.42 H new ATOM 0 HG23 THR A 73 8.291 11.573 -3.986 1.00 3.42 H new ATOM 1106 N GLY A 74 10.631 8.676 -0.404 1.00 1.90 N ATOM 1107 CA GLY A 74 11.540 8.250 0.645 1.00 1.82 C ATOM 1108 C GLY A 74 11.887 6.766 0.500 1.00 2.06 C ATOM 1109 O GLY A 74 13.043 6.415 0.265 1.00 3.34 O ATOM 0 H GLY A 74 9.853 8.040 -0.578 1.00 1.90 H new ATOM 0 HA2 GLY A 74 12.452 8.846 0.605 1.00 1.82 H new ATOM 0 HA3 GLY A 74 11.085 8.427 1.620 1.00 1.82 H new ATOM 1113 N GLY A 75 10.866 5.935 0.648 1.00 1.80 N ATOM 1114 CA GLY A 75 11.056 4.497 0.577 1.00 2.17 C ATOM 1115 C GLY A 75 11.790 4.102 -0.707 1.00 1.67 C ATOM 1116 O GLY A 75 11.430 4.550 -1.794 1.00 2.04 O ATOM 0 H GLY A 75 9.904 6.230 0.817 1.00 1.80 H new ATOM 0 HA2 GLY A 75 11.624 4.159 1.443 1.00 2.17 H new ATOM 0 HA3 GLY A 75 10.088 3.997 0.615 1.00 2.17 H new ATOM 1120 N LYS A 76 12.806 3.268 -0.538 1.00 1.88 N ATOM 1121 CA LYS A 76 13.570 2.780 -1.672 1.00 1.77 C ATOM 1122 C LYS A 76 13.036 1.408 -2.089 1.00 1.55 C ATOM 1123 O LYS A 76 12.493 0.673 -1.265 1.00 1.91 O ATOM 1124 CB LYS A 76 15.066 2.787 -1.354 1.00 2.29 C ATOM 1125 CG LYS A 76 15.556 4.203 -1.048 1.00 3.15 C ATOM 1126 CD LYS A 76 16.359 4.237 0.253 1.00 3.99 C ATOM 1127 CE LYS A 76 15.434 4.165 1.470 1.00 4.84 C ATOM 1128 NZ LYS A 76 16.182 4.481 2.708 1.00 6.23 N ATOM 0 H LYS A 76 13.117 2.918 0.368 1.00 1.88 H new ATOM 0 HA LYS A 76 13.447 3.444 -2.528 1.00 1.77 H new ATOM 0 HB2 LYS A 76 15.263 2.138 -0.501 1.00 2.29 H new ATOM 0 HB3 LYS A 76 15.623 2.381 -2.198 1.00 2.29 H new ATOM 0 HG2 LYS A 76 16.174 4.563 -1.870 1.00 3.15 H new ATOM 0 HG3 LYS A 76 14.703 4.878 -0.971 1.00 3.15 H new ATOM 0 HD2 LYS A 76 17.059 3.402 0.274 1.00 3.99 H new ATOM 0 HD3 LYS A 76 16.951 5.151 0.295 1.00 3.99 H new ATOM 0 HE2 LYS A 76 14.608 4.865 1.348 1.00 4.84 H new ATOM 0 HE3 LYS A 76 14.999 3.169 1.545 1.00 4.84 H new ATOM 0 HZ1 LYS A 76 15.548 4.950 3.386 1.00 6.23 H new ATOM 0 HZ2 LYS A 76 16.548 3.602 3.127 1.00 6.23 H new ATOM 0 HZ3 LYS A 76 16.976 5.113 2.482 1.00 6.23 H new ATOM 1142 N SER A 77 13.208 1.104 -3.367 1.00 1.28 N ATOM 1143 CA SER A 77 12.582 -0.071 -3.948 1.00 1.20 C ATOM 1144 C SER A 77 13.539 -1.263 -3.879 1.00 1.09 C ATOM 1145 O SER A 77 14.751 -1.085 -3.771 1.00 1.37 O ATOM 1146 CB SER A 77 12.161 0.189 -5.396 1.00 1.43 C ATOM 1147 OG SER A 77 11.357 1.358 -5.517 1.00 3.12 O ATOM 0 H SER A 77 13.772 1.652 -4.017 1.00 1.28 H new ATOM 0 HA SER A 77 11.685 -0.300 -3.373 1.00 1.20 H new ATOM 0 HB2 SER A 77 13.050 0.294 -6.018 1.00 1.43 H new ATOM 0 HB3 SER A 77 11.608 -0.672 -5.773 1.00 1.43 H new ATOM 0 HG SER A 77 11.243 1.580 -6.465 1.00 3.12 H new ATOM 1153 N ILE A 78 12.958 -2.451 -3.942 1.00 1.10 N ATOM 1154 CA ILE A 78 13.749 -3.670 -3.993 1.00 1.21 C ATOM 1155 C ILE A 78 14.755 -3.571 -5.142 1.00 1.20 C ATOM 1156 O ILE A 78 15.882 -4.053 -5.028 1.00 1.40 O ATOM 1157 CB ILE A 78 12.839 -4.896 -4.076 1.00 1.42 C ATOM 1158 CG1 ILE A 78 13.648 -6.189 -3.945 1.00 1.90 C ATOM 1159 CG2 ILE A 78 11.999 -4.872 -5.355 1.00 2.63 C ATOM 1160 CD1 ILE A 78 14.014 -6.747 -5.322 1.00 1.91 C ATOM 0 H ILE A 78 11.949 -2.597 -3.959 1.00 1.10 H new ATOM 0 HA ILE A 78 14.324 -3.791 -3.075 1.00 1.21 H new ATOM 0 HB ILE A 78 12.145 -4.863 -3.236 1.00 1.42 H new ATOM 0 HG12 ILE A 78 14.556 -5.998 -3.373 1.00 1.90 H new ATOM 0 HG13 ILE A 78 13.071 -6.929 -3.390 1.00 1.90 H new ATOM 0 HG21 ILE A 78 11.361 -5.755 -5.388 1.00 2.63 H new ATOM 0 HG22 ILE A 78 11.379 -3.976 -5.366 1.00 2.63 H new ATOM 0 HG23 ILE A 78 12.658 -4.868 -6.223 1.00 2.63 H new ATOM 0 HD11 ILE A 78 14.588 -7.665 -5.201 1.00 1.91 H new ATOM 0 HD12 ILE A 78 13.103 -6.959 -5.882 1.00 1.91 H new ATOM 0 HD13 ILE A 78 14.611 -6.014 -5.865 1.00 1.91 H new ATOM 1172 N TYR A 79 14.311 -2.947 -6.223 1.00 1.11 N ATOM 1173 CA TYR A 79 15.109 -2.891 -7.436 1.00 1.19 C ATOM 1174 C TYR A 79 16.064 -1.697 -7.411 1.00 1.27 C ATOM 1175 O TYR A 79 16.917 -1.561 -8.286 1.00 1.51 O ATOM 1176 CB TYR A 79 14.116 -2.712 -8.586 1.00 1.24 C ATOM 1177 CG TYR A 79 13.186 -3.908 -8.797 1.00 1.50 C ATOM 1178 CD1 TYR A 79 13.692 -5.102 -9.272 1.00 1.78 C ATOM 1179 CD2 TYR A 79 11.841 -3.795 -8.512 1.00 2.65 C ATOM 1180 CE1 TYR A 79 12.816 -6.227 -9.471 1.00 2.09 C ATOM 1181 CE2 TYR A 79 10.964 -4.921 -8.711 1.00 3.08 C ATOM 1182 CZ TYR A 79 11.496 -6.081 -9.180 1.00 2.39 C ATOM 1183 OH TYR A 79 10.668 -7.144 -9.368 1.00 2.91 O ATOM 0 H TYR A 79 13.409 -2.476 -6.284 1.00 1.11 H new ATOM 0 HA TYR A 79 15.711 -3.793 -7.540 1.00 1.19 H new ATOM 0 HB2 TYR A 79 13.512 -1.824 -8.396 1.00 1.24 H new ATOM 0 HB3 TYR A 79 14.671 -2.529 -9.506 1.00 1.24 H new ATOM 0 HD1 TYR A 79 14.745 -5.192 -9.494 1.00 1.78 H new ATOM 0 HD2 TYR A 79 11.445 -2.862 -8.139 1.00 2.65 H new ATOM 0 HE1 TYR A 79 13.199 -7.166 -9.843 1.00 2.09 H new ATOM 0 HE2 TYR A 79 9.909 -4.845 -8.493 1.00 3.08 H new ATOM 0 HH TYR A 79 9.742 -6.872 -9.195 1.00 2.91 H new ATOM 1193 N GLY A 80 15.887 -0.859 -6.399 1.00 1.22 N ATOM 1194 CA GLY A 80 16.707 0.331 -6.261 1.00 1.39 C ATOM 1195 C GLY A 80 15.936 1.449 -5.556 1.00 1.60 C ATOM 1196 O GLY A 80 15.613 1.336 -4.374 1.00 2.80 O ATOM 0 H GLY A 80 15.187 -0.982 -5.667 1.00 1.22 H new ATOM 0 HA2 GLY A 80 17.608 0.093 -5.695 1.00 1.39 H new ATOM 0 HA3 GLY A 80 17.029 0.671 -7.245 1.00 1.39 H new ATOM 1200 N GLU A 81 15.665 2.504 -6.310 1.00 1.26 N ATOM 1201 CA GLU A 81 14.888 3.616 -5.790 1.00 1.29 C ATOM 1202 C GLU A 81 13.503 3.646 -6.441 1.00 1.21 C ATOM 1203 O GLU A 81 12.514 3.980 -5.790 1.00 1.31 O ATOM 1204 CB GLU A 81 15.621 4.943 -5.999 1.00 1.45 C ATOM 1205 CG GLU A 81 14.887 6.090 -5.302 1.00 2.26 C ATOM 1206 CD GLU A 81 15.656 7.404 -5.452 1.00 2.45 C ATOM 1207 OE1 GLU A 81 16.497 7.673 -4.567 1.00 2.88 O ATOM 1208 OE2 GLU A 81 15.385 8.110 -6.447 1.00 3.22 O ATOM 0 H GLU A 81 15.970 2.612 -7.277 1.00 1.26 H new ATOM 0 HA GLU A 81 14.761 3.474 -4.717 1.00 1.29 H new ATOM 0 HB2 GLU A 81 16.636 4.867 -5.610 1.00 1.45 H new ATOM 0 HB3 GLU A 81 15.703 5.153 -7.065 1.00 1.45 H new ATOM 0 HG2 GLU A 81 13.889 6.198 -5.726 1.00 2.26 H new ATOM 0 HG3 GLU A 81 14.761 5.857 -4.245 1.00 2.26 H new ATOM 1215 N LYS A 82 13.477 3.295 -7.718 1.00 1.13 N ATOM 1216 CA LYS A 82 12.239 3.325 -8.478 1.00 1.12 C ATOM 1217 C LYS A 82 12.108 2.031 -9.284 1.00 1.12 C ATOM 1218 O LYS A 82 13.059 1.256 -9.378 1.00 1.20 O ATOM 1219 CB LYS A 82 12.166 4.592 -9.332 1.00 1.15 C ATOM 1220 CG LYS A 82 12.947 5.737 -8.685 1.00 1.82 C ATOM 1221 CD LYS A 82 12.873 7.004 -9.539 1.00 2.25 C ATOM 1222 CE LYS A 82 13.792 8.094 -8.985 1.00 3.21 C ATOM 1223 NZ LYS A 82 13.725 9.307 -9.828 1.00 3.99 N ATOM 0 H LYS A 82 14.294 2.988 -8.246 1.00 1.13 H new ATOM 0 HA LYS A 82 11.381 3.370 -7.807 1.00 1.12 H new ATOM 0 HB2 LYS A 82 12.568 4.389 -10.325 1.00 1.15 H new ATOM 0 HB3 LYS A 82 11.125 4.886 -9.463 1.00 1.15 H new ATOM 0 HG2 LYS A 82 12.546 5.940 -7.692 1.00 1.82 H new ATOM 0 HG3 LYS A 82 13.988 5.443 -8.554 1.00 1.82 H new ATOM 0 HD2 LYS A 82 13.156 6.772 -10.566 1.00 2.25 H new ATOM 0 HD3 LYS A 82 11.846 7.369 -9.567 1.00 2.25 H new ATOM 0 HE2 LYS A 82 13.501 8.338 -7.963 1.00 3.21 H new ATOM 0 HE3 LYS A 82 14.818 7.728 -8.946 1.00 3.21 H new ATOM 0 HZ1 LYS A 82 14.355 10.036 -9.437 1.00 3.99 H new ATOM 0 HZ2 LYS A 82 14.024 9.074 -10.796 1.00 3.99 H new ATOM 0 HZ3 LYS A 82 12.749 9.665 -9.844 1.00 3.99 H new ATOM 1237 N PHE A 83 10.924 1.838 -9.844 1.00 1.21 N ATOM 1238 CA PHE A 83 10.641 0.629 -10.599 1.00 1.47 C ATOM 1239 C PHE A 83 9.366 0.786 -11.430 1.00 1.50 C ATOM 1240 O PHE A 83 8.462 1.529 -11.051 1.00 1.49 O ATOM 1241 CB PHE A 83 10.436 -0.495 -9.581 1.00 1.89 C ATOM 1242 CG PHE A 83 9.268 -1.427 -9.909 1.00 1.29 C ATOM 1243 CD1 PHE A 83 9.420 -2.405 -10.841 1.00 1.84 C ATOM 1244 CD2 PHE A 83 8.077 -1.277 -9.269 1.00 2.50 C ATOM 1245 CE1 PHE A 83 8.336 -3.270 -11.147 1.00 2.38 C ATOM 1246 CE2 PHE A 83 6.993 -2.142 -9.575 1.00 2.24 C ATOM 1247 CZ PHE A 83 7.145 -3.120 -10.507 1.00 1.64 C ATOM 0 H PHE A 83 10.149 2.499 -9.790 1.00 1.21 H new ATOM 0 HA PHE A 83 11.463 0.416 -11.282 1.00 1.47 H new ATOM 0 HB2 PHE A 83 11.351 -1.084 -9.517 1.00 1.89 H new ATOM 0 HB3 PHE A 83 10.271 -0.055 -8.598 1.00 1.89 H new ATOM 0 HD1 PHE A 83 10.366 -2.524 -11.349 1.00 1.84 H new ATOM 0 HD2 PHE A 83 7.956 -0.500 -8.528 1.00 2.50 H new ATOM 0 HE1 PHE A 83 8.457 -4.047 -11.888 1.00 2.38 H new ATOM 0 HE2 PHE A 83 6.047 -2.023 -9.067 1.00 2.24 H new ATOM 0 HZ PHE A 83 6.320 -3.778 -10.739 1.00 1.64 H new ATOM 1257 N GLU A 84 9.335 0.076 -12.548 1.00 1.61 N ATOM 1258 CA GLU A 84 8.300 0.293 -13.544 1.00 1.65 C ATOM 1259 C GLU A 84 6.921 -0.001 -12.949 1.00 1.74 C ATOM 1260 O GLU A 84 6.815 -0.645 -11.907 1.00 1.76 O ATOM 1261 CB GLU A 84 8.552 -0.557 -14.791 1.00 1.85 C ATOM 1262 CG GLU A 84 9.867 -0.162 -15.467 1.00 2.02 C ATOM 1263 CD GLU A 84 10.457 -1.338 -16.248 1.00 2.33 C ATOM 1264 OE1 GLU A 84 10.865 -2.314 -15.582 1.00 3.22 O ATOM 1265 OE2 GLU A 84 10.487 -1.234 -17.493 1.00 2.85 O ATOM 0 H GLU A 84 10.010 -0.650 -12.786 1.00 1.61 H new ATOM 0 HA GLU A 84 8.328 1.340 -13.847 1.00 1.65 H new ATOM 0 HB2 GLU A 84 8.582 -1.611 -14.517 1.00 1.85 H new ATOM 0 HB3 GLU A 84 7.727 -0.434 -15.492 1.00 1.85 H new ATOM 0 HG2 GLU A 84 9.696 0.677 -16.141 1.00 2.02 H new ATOM 0 HG3 GLU A 84 10.580 0.174 -14.714 1.00 2.02 H new ATOM 1272 N ASP A 85 5.899 0.484 -13.638 1.00 1.88 N ATOM 1273 CA ASP A 85 4.529 0.234 -13.222 1.00 2.06 C ATOM 1274 C ASP A 85 4.095 -1.147 -13.717 1.00 2.33 C ATOM 1275 O ASP A 85 3.028 -1.635 -13.348 1.00 4.22 O ATOM 1276 CB ASP A 85 3.576 1.271 -13.816 1.00 1.94 C ATOM 1277 CG ASP A 85 3.892 2.723 -13.455 1.00 2.49 C ATOM 1278 OD1 ASP A 85 5.064 2.978 -13.103 1.00 3.23 O ATOM 1279 OD2 ASP A 85 2.955 3.546 -13.538 1.00 3.41 O ATOM 0 H ASP A 85 5.992 1.049 -14.482 1.00 1.88 H new ATOM 0 HA ASP A 85 4.490 0.291 -12.134 1.00 2.06 H new ATOM 0 HB2 ASP A 85 3.587 1.172 -14.901 1.00 1.94 H new ATOM 0 HB3 ASP A 85 2.563 1.043 -13.485 1.00 1.94 H new ATOM 1284 N GLU A 86 4.943 -1.738 -14.547 1.00 1.44 N ATOM 1285 CA GLU A 86 4.694 -3.081 -15.042 1.00 1.55 C ATOM 1286 C GLU A 86 3.633 -3.052 -16.142 1.00 1.44 C ATOM 1287 O GLU A 86 3.931 -3.326 -17.304 1.00 1.53 O ATOM 1288 CB GLU A 86 4.280 -4.016 -13.904 1.00 1.73 C ATOM 1289 CG GLU A 86 5.213 -5.225 -13.819 1.00 2.20 C ATOM 1290 CD GLU A 86 5.295 -5.950 -15.166 1.00 2.55 C ATOM 1291 OE1 GLU A 86 4.214 -6.231 -15.724 1.00 3.20 O ATOM 1292 OE2 GLU A 86 6.437 -6.205 -15.604 1.00 3.60 O ATOM 0 H GLU A 86 5.804 -1.311 -14.889 1.00 1.44 H new ATOM 0 HA GLU A 86 5.620 -3.469 -15.468 1.00 1.55 H new ATOM 0 HB2 GLU A 86 4.296 -3.473 -12.959 1.00 1.73 H new ATOM 0 HB3 GLU A 86 3.255 -4.353 -14.061 1.00 1.73 H new ATOM 0 HG2 GLU A 86 6.208 -4.900 -13.515 1.00 2.20 H new ATOM 0 HG3 GLU A 86 4.854 -5.913 -13.053 1.00 2.20 H new ATOM 1299 N ASN A 87 2.415 -2.719 -15.739 1.00 1.38 N ATOM 1300 CA ASN A 87 1.313 -2.630 -16.680 1.00 1.31 C ATOM 1301 C ASN A 87 0.041 -2.228 -15.932 1.00 1.21 C ATOM 1302 O ASN A 87 0.066 -2.029 -14.718 1.00 1.36 O ATOM 1303 CB ASN A 87 1.057 -3.977 -17.358 1.00 1.43 C ATOM 1304 CG ASN A 87 0.664 -5.042 -16.332 1.00 1.47 C ATOM 1305 OD1 ASN A 87 -0.428 -5.043 -15.788 1.00 2.48 O ATOM 1306 ND2 ASN A 87 1.612 -5.945 -16.099 1.00 1.54 N ATOM 0 H ASN A 87 2.168 -2.508 -14.772 1.00 1.38 H new ATOM 0 HA ASN A 87 1.575 -1.890 -17.436 1.00 1.31 H new ATOM 0 HB2 ASN A 87 0.264 -3.870 -18.099 1.00 1.43 H new ATOM 0 HB3 ASN A 87 1.952 -4.295 -17.893 1.00 1.43 H new ATOM 0 HD21 ASN A 87 1.447 -6.697 -15.430 1.00 1.54 H new ATOM 0 HD22 ASN A 87 2.504 -5.886 -16.589 1.00 1.54 H new ATOM 1313 N PHE A 88 -1.044 -2.120 -16.686 1.00 1.08 N ATOM 1314 CA PHE A 88 -2.333 -1.794 -16.103 1.00 0.99 C ATOM 1315 C PHE A 88 -3.420 -2.745 -16.606 1.00 0.97 C ATOM 1316 O PHE A 88 -4.527 -2.315 -16.927 1.00 0.99 O ATOM 1317 CB PHE A 88 -2.676 -0.369 -16.542 1.00 1.05 C ATOM 1318 CG PHE A 88 -1.618 0.670 -16.164 1.00 1.12 C ATOM 1319 CD1 PHE A 88 -1.080 0.669 -14.914 1.00 2.54 C ATOM 1320 CD2 PHE A 88 -1.216 1.595 -17.076 1.00 1.74 C ATOM 1321 CE1 PHE A 88 -0.099 1.633 -14.563 1.00 2.65 C ATOM 1322 CE2 PHE A 88 -0.235 2.559 -16.725 1.00 1.72 C ATOM 1323 CZ PHE A 88 0.304 2.558 -15.477 1.00 1.33 C ATOM 0 H PHE A 88 -1.056 -2.253 -17.697 1.00 1.08 H new ATOM 0 HA PHE A 88 -2.283 -1.885 -15.018 1.00 0.99 H new ATOM 0 HB2 PHE A 88 -2.813 -0.356 -17.623 1.00 1.05 H new ATOM 0 HB3 PHE A 88 -3.628 -0.082 -16.096 1.00 1.05 H new ATOM 0 HD1 PHE A 88 -1.399 -0.065 -14.189 1.00 2.54 H new ATOM 0 HD2 PHE A 88 -1.643 1.596 -18.068 1.00 1.74 H new ATOM 0 HE1 PHE A 88 0.328 1.633 -13.571 1.00 2.65 H new ATOM 0 HE2 PHE A 88 0.083 3.294 -17.450 1.00 1.72 H new ATOM 0 HZ PHE A 88 1.052 3.291 -15.211 1.00 1.33 H new ATOM 1333 N ILE A 89 -3.065 -4.021 -16.663 1.00 0.96 N ATOM 1334 CA ILE A 89 -4.014 -5.044 -17.069 1.00 0.98 C ATOM 1335 C ILE A 89 -5.205 -5.040 -16.108 1.00 0.88 C ATOM 1336 O ILE A 89 -6.349 -5.193 -16.532 1.00 0.96 O ATOM 1337 CB ILE A 89 -3.320 -6.403 -17.183 1.00 1.03 C ATOM 1338 CG1 ILE A 89 -2.312 -6.410 -18.333 1.00 1.25 C ATOM 1339 CG2 ILE A 89 -4.344 -7.533 -17.310 1.00 1.04 C ATOM 1340 CD1 ILE A 89 -1.273 -7.518 -18.146 1.00 1.33 C ATOM 0 H ILE A 89 -2.134 -4.369 -16.435 1.00 0.96 H new ATOM 0 HA ILE A 89 -4.406 -4.827 -18.063 1.00 0.98 H new ATOM 0 HB ILE A 89 -2.760 -6.578 -16.264 1.00 1.03 H new ATOM 0 HG12 ILE A 89 -2.835 -6.553 -19.279 1.00 1.25 H new ATOM 0 HG13 ILE A 89 -1.812 -5.443 -18.388 1.00 1.25 H new ATOM 0 HG21 ILE A 89 -3.824 -8.488 -17.389 1.00 1.04 H new ATOM 0 HG22 ILE A 89 -4.987 -7.542 -16.430 1.00 1.04 H new ATOM 0 HG23 ILE A 89 -4.951 -7.375 -18.201 1.00 1.04 H new ATOM 0 HD11 ILE A 89 -0.569 -7.500 -18.978 1.00 1.33 H new ATOM 0 HD12 ILE A 89 -0.735 -7.358 -17.211 1.00 1.33 H new ATOM 0 HD13 ILE A 89 -1.774 -8.485 -18.115 1.00 1.33 H new ATOM 1352 N LEU A 90 -4.894 -4.862 -14.832 1.00 0.76 N ATOM 1353 CA LEU A 90 -5.922 -4.854 -13.806 1.00 0.66 C ATOM 1354 C LEU A 90 -6.468 -3.432 -13.648 1.00 0.80 C ATOM 1355 O LEU A 90 -5.848 -2.472 -14.102 1.00 1.10 O ATOM 1356 CB LEU A 90 -5.386 -5.455 -12.505 1.00 0.60 C ATOM 1357 CG LEU A 90 -5.022 -6.940 -12.553 1.00 0.81 C ATOM 1358 CD1 LEU A 90 -3.572 -7.134 -13.001 1.00 1.58 C ATOM 1359 CD2 LEU A 90 -5.301 -7.616 -11.210 1.00 2.24 C ATOM 0 H LEU A 90 -3.945 -4.722 -14.486 1.00 0.76 H new ATOM 0 HA LEU A 90 -6.759 -5.487 -14.101 1.00 0.66 H new ATOM 0 HB2 LEU A 90 -4.501 -4.894 -12.206 1.00 0.60 H new ATOM 0 HB3 LEU A 90 -6.134 -5.309 -11.725 1.00 0.60 H new ATOM 0 HG LEU A 90 -5.657 -7.424 -13.295 1.00 0.81 H new ATOM 0 HD11 LEU A 90 -3.338 -8.198 -13.027 1.00 1.58 H new ATOM 0 HD12 LEU A 90 -3.439 -6.709 -13.996 1.00 1.58 H new ATOM 0 HD13 LEU A 90 -2.904 -6.633 -12.300 1.00 1.58 H new ATOM 0 HD21 LEU A 90 -5.034 -8.671 -11.271 1.00 2.24 H new ATOM 0 HD22 LEU A 90 -4.709 -7.136 -10.431 1.00 2.24 H new ATOM 0 HD23 LEU A 90 -6.360 -7.524 -10.969 1.00 2.24 H new ATOM 1371 N LYS A 91 -7.621 -3.344 -13.001 1.00 0.71 N ATOM 1372 CA LYS A 91 -8.298 -2.068 -12.852 1.00 0.83 C ATOM 1373 C LYS A 91 -8.689 -1.871 -11.386 1.00 0.73 C ATOM 1374 O LYS A 91 -8.488 -2.762 -10.562 1.00 0.53 O ATOM 1375 CB LYS A 91 -9.478 -1.971 -13.821 1.00 1.01 C ATOM 1376 CG LYS A 91 -8.993 -1.754 -15.256 1.00 1.63 C ATOM 1377 CD LYS A 91 -10.098 -2.077 -16.264 1.00 1.66 C ATOM 1378 CE LYS A 91 -11.366 -1.276 -15.963 1.00 1.98 C ATOM 1379 NZ LYS A 91 -12.312 -1.356 -17.098 1.00 2.78 N ATOM 0 H LYS A 91 -8.103 -4.135 -12.574 1.00 0.71 H new ATOM 0 HA LYS A 91 -7.629 -1.249 -13.117 1.00 0.83 H new ATOM 0 HB2 LYS A 91 -10.072 -2.883 -13.768 1.00 1.01 H new ATOM 0 HB3 LYS A 91 -10.129 -1.149 -13.525 1.00 1.01 H new ATOM 0 HG2 LYS A 91 -8.672 -0.720 -15.382 1.00 1.63 H new ATOM 0 HG3 LYS A 91 -8.124 -2.384 -15.449 1.00 1.63 H new ATOM 0 HD2 LYS A 91 -9.752 -1.852 -17.273 1.00 1.66 H new ATOM 0 HD3 LYS A 91 -10.322 -3.143 -16.235 1.00 1.66 H new ATOM 0 HE2 LYS A 91 -11.840 -1.660 -15.060 1.00 1.98 H new ATOM 0 HE3 LYS A 91 -11.108 -0.235 -15.770 1.00 1.98 H new ATOM 0 HZ1 LYS A 91 -13.167 -0.807 -16.877 1.00 2.78 H new ATOM 0 HZ2 LYS A 91 -11.863 -0.968 -17.952 1.00 2.78 H new ATOM 0 HZ3 LYS A 91 -12.572 -2.349 -17.264 1.00 2.78 H new ATOM 1393 N HIS A 92 -9.240 -0.699 -11.105 1.00 0.93 N ATOM 1394 CA HIS A 92 -9.786 -0.426 -9.786 1.00 0.81 C ATOM 1395 C HIS A 92 -11.266 -0.814 -9.753 1.00 0.80 C ATOM 1396 O HIS A 92 -12.130 -0.004 -10.081 1.00 0.83 O ATOM 1397 CB HIS A 92 -9.546 1.032 -9.392 1.00 0.77 C ATOM 1398 CG HIS A 92 -8.126 1.330 -8.969 1.00 1.00 C ATOM 1399 ND1 HIS A 92 -7.058 1.276 -9.846 1.00 1.14 N ATOM 1400 CD2 HIS A 92 -7.613 1.683 -7.757 1.00 2.48 C ATOM 1401 CE1 HIS A 92 -5.955 1.584 -9.180 1.00 0.97 C ATOM 1402 NE2 HIS A 92 -6.301 1.836 -7.885 1.00 2.19 N ATOM 0 H HIS A 92 -9.320 0.072 -11.768 1.00 0.93 H new ATOM 0 HA HIS A 92 -9.271 -1.033 -9.041 1.00 0.81 H new ATOM 0 HB2 HIS A 92 -9.805 1.673 -10.235 1.00 0.77 H new ATOM 0 HB3 HIS A 92 -10.219 1.292 -8.575 1.00 0.77 H new ATOM 0 HD1 HIS A 92 -7.111 1.039 -10.837 1.00 1.14 H new ATOM 0 HD2 HIS A 92 -8.178 1.816 -6.846 1.00 2.48 H new ATOM 0 HE1 HIS A 92 -4.957 1.628 -9.590 1.00 0.97 H new ATOM 1410 N THR A 93 -11.511 -2.053 -9.352 1.00 0.81 N ATOM 1411 CA THR A 93 -12.869 -2.563 -9.286 1.00 0.85 C ATOM 1412 C THR A 93 -13.659 -1.836 -8.194 1.00 0.79 C ATOM 1413 O THR A 93 -14.888 -1.862 -8.192 1.00 0.86 O ATOM 1414 CB THR A 93 -12.797 -4.076 -9.077 1.00 0.92 C ATOM 1415 OG1 THR A 93 -12.227 -4.222 -7.779 1.00 0.65 O ATOM 1416 CG2 THR A 93 -11.782 -4.747 -10.006 1.00 1.35 C ATOM 0 H THR A 93 -10.791 -2.718 -9.070 1.00 0.81 H new ATOM 0 HA THR A 93 -13.408 -2.374 -10.215 1.00 0.85 H new ATOM 0 HB THR A 93 -13.783 -4.511 -9.239 1.00 0.92 H new ATOM 0 HG1 THR A 93 -12.146 -5.174 -7.562 1.00 0.65 H new ATOM 0 HG21 THR A 93 -11.770 -5.820 -9.817 1.00 1.35 H new ATOM 0 HG22 THR A 93 -12.062 -4.564 -11.043 1.00 1.35 H new ATOM 0 HG23 THR A 93 -10.790 -4.335 -9.820 1.00 1.35 H new ATOM 1424 N GLY A 94 -12.919 -1.207 -7.294 1.00 0.82 N ATOM 1425 CA GLY A 94 -13.536 -0.470 -6.203 1.00 0.80 C ATOM 1426 C GLY A 94 -12.716 -0.605 -4.919 1.00 0.71 C ATOM 1427 O GLY A 94 -11.487 -0.619 -4.960 1.00 0.66 O ATOM 0 H GLY A 94 -11.899 -1.192 -7.297 1.00 0.82 H new ATOM 0 HA2 GLY A 94 -13.624 0.582 -6.474 1.00 0.80 H new ATOM 0 HA3 GLY A 94 -14.547 -0.841 -6.034 1.00 0.80 H new ATOM 1431 N PRO A 95 -13.449 -0.702 -3.777 1.00 0.71 N ATOM 1432 CA PRO A 95 -12.803 -0.823 -2.481 1.00 0.65 C ATOM 1433 C PRO A 95 -12.237 -2.230 -2.279 1.00 0.58 C ATOM 1434 O PRO A 95 -12.865 -3.216 -2.662 1.00 0.58 O ATOM 1435 CB PRO A 95 -13.879 -0.465 -1.469 1.00 0.74 C ATOM 1436 CG PRO A 95 -15.204 -0.610 -2.202 1.00 0.83 C ATOM 1437 CD PRO A 95 -14.906 -0.699 -3.690 1.00 0.81 C ATOM 0 HA PRO A 95 -11.942 -0.162 -2.378 1.00 0.65 H new ATOM 0 HB2 PRO A 95 -13.837 -1.126 -0.603 1.00 0.74 H new ATOM 0 HB3 PRO A 95 -13.746 0.552 -1.100 1.00 0.74 H new ATOM 0 HG2 PRO A 95 -15.731 -1.502 -1.864 1.00 0.83 H new ATOM 0 HG3 PRO A 95 -15.851 0.242 -1.993 1.00 0.83 H new ATOM 0 HD2 PRO A 95 -15.330 -1.604 -4.125 1.00 0.81 H new ATOM 0 HD3 PRO A 95 -15.333 0.146 -4.231 1.00 0.81 H new ATOM 1445 N GLY A 96 -11.057 -2.278 -1.679 1.00 0.62 N ATOM 1446 CA GLY A 96 -10.453 -3.550 -1.319 1.00 0.56 C ATOM 1447 C GLY A 96 -9.475 -4.017 -2.399 1.00 0.52 C ATOM 1448 O GLY A 96 -9.295 -5.217 -2.599 1.00 0.72 O ATOM 0 H GLY A 96 -10.503 -1.458 -1.433 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -9.930 -3.452 -0.368 1.00 0.56 H new ATOM 0 HA3 GLY A 96 -11.232 -4.300 -1.179 1.00 0.56 H new ATOM 1452 N ILE A 97 -8.871 -3.046 -3.066 1.00 0.52 N ATOM 1453 CA ILE A 97 -7.906 -3.343 -4.110 1.00 0.57 C ATOM 1454 C ILE A 97 -6.531 -2.816 -3.693 1.00 0.62 C ATOM 1455 O ILE A 97 -6.422 -1.718 -3.152 1.00 0.70 O ATOM 1456 CB ILE A 97 -8.388 -2.801 -5.457 1.00 0.70 C ATOM 1457 CG1 ILE A 97 -8.667 -3.942 -6.439 1.00 1.54 C ATOM 1458 CG2 ILE A 97 -7.398 -1.785 -6.027 1.00 0.89 C ATOM 1459 CD1 ILE A 97 -9.851 -4.790 -5.970 1.00 1.00 C ATOM 0 H ILE A 97 -9.031 -2.052 -2.904 1.00 0.52 H new ATOM 0 HA ILE A 97 -7.809 -4.421 -4.242 1.00 0.57 H new ATOM 0 HB ILE A 97 -9.330 -2.276 -5.296 1.00 0.70 H new ATOM 0 HG12 ILE A 97 -8.877 -3.533 -7.427 1.00 1.54 H new ATOM 0 HG13 ILE A 97 -7.781 -4.569 -6.535 1.00 1.54 H new ATOM 0 HG21 ILE A 97 -7.766 -1.416 -6.985 1.00 0.89 H new ATOM 0 HG22 ILE A 97 -7.293 -0.951 -5.333 1.00 0.89 H new ATOM 0 HG23 ILE A 97 -6.429 -2.262 -6.170 1.00 0.89 H new ATOM 0 HD11 ILE A 97 -10.029 -5.594 -6.685 1.00 1.00 H new ATOM 0 HD12 ILE A 97 -9.628 -5.217 -4.992 1.00 1.00 H new ATOM 0 HD13 ILE A 97 -10.741 -4.165 -5.899 1.00 1.00 H new ATOM 1471 N LEU A 98 -5.517 -3.625 -3.960 1.00 0.62 N ATOM 1472 CA LEU A 98 -4.157 -3.270 -3.589 1.00 0.70 C ATOM 1473 C LEU A 98 -3.481 -2.560 -4.763 1.00 0.69 C ATOM 1474 O LEU A 98 -3.036 -3.206 -5.711 1.00 0.74 O ATOM 1475 CB LEU A 98 -3.398 -4.502 -3.094 1.00 0.77 C ATOM 1476 CG LEU A 98 -1.964 -4.259 -2.618 1.00 1.05 C ATOM 1477 CD1 LEU A 98 -1.946 -3.685 -1.201 1.00 0.86 C ATOM 1478 CD2 LEU A 98 -1.125 -5.535 -2.731 1.00 2.20 C ATOM 0 H LEU A 98 -5.609 -4.526 -4.429 1.00 0.62 H new ATOM 0 HA LEU A 98 -4.160 -2.570 -2.753 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -3.962 -4.946 -2.274 1.00 0.77 H new ATOM 0 HB3 LEU A 98 -3.373 -5.237 -3.899 1.00 0.77 H new ATOM 0 HG LEU A 98 -1.509 -3.515 -3.272 1.00 1.05 H new ATOM 0 HD11 LEU A 98 -0.915 -3.522 -0.888 1.00 0.86 H new ATOM 0 HD12 LEU A 98 -2.484 -2.737 -1.185 1.00 0.86 H new ATOM 0 HD13 LEU A 98 -2.426 -4.386 -0.518 1.00 0.86 H new ATOM 0 HD21 LEU A 98 -0.110 -5.335 -2.386 1.00 2.20 H new ATOM 0 HD22 LEU A 98 -1.569 -6.318 -2.117 1.00 2.20 H new ATOM 0 HD23 LEU A 98 -1.097 -5.861 -3.771 1.00 2.20 H new ATOM 1490 N SER A 99 -3.424 -1.240 -4.663 1.00 0.76 N ATOM 1491 CA SER A 99 -2.792 -0.437 -5.694 1.00 0.87 C ATOM 1492 C SER A 99 -1.474 0.139 -5.175 1.00 0.96 C ATOM 1493 O SER A 99 -1.127 -0.046 -4.010 1.00 1.09 O ATOM 1494 CB SER A 99 -3.717 0.689 -6.161 1.00 0.94 C ATOM 1495 OG SER A 99 -3.516 1.888 -5.417 1.00 2.14 O ATOM 0 H SER A 99 -3.806 -0.707 -3.882 1.00 0.76 H new ATOM 0 HA SER A 99 -2.587 -1.080 -6.550 1.00 0.87 H new ATOM 0 HB2 SER A 99 -3.544 0.885 -7.219 1.00 0.94 H new ATOM 0 HB3 SER A 99 -4.755 0.370 -6.062 1.00 0.94 H new ATOM 0 HG SER A 99 -3.677 1.714 -4.466 1.00 2.14 H new ATOM 1501 N MET A 100 -0.775 0.829 -6.065 1.00 1.03 N ATOM 1502 CA MET A 100 0.458 1.502 -5.691 1.00 1.14 C ATOM 1503 C MET A 100 0.535 2.894 -6.321 1.00 0.97 C ATOM 1504 O MET A 100 0.117 3.087 -7.462 1.00 1.24 O ATOM 1505 CB MET A 100 1.656 0.667 -6.147 1.00 1.65 C ATOM 1506 CG MET A 100 1.848 0.768 -7.662 1.00 1.61 C ATOM 1507 SD MET A 100 3.087 1.996 -8.038 1.00 3.09 S ATOM 1508 CE MET A 100 4.487 1.300 -7.176 1.00 1.94 C ATOM 0 H MET A 100 -1.039 0.937 -7.044 1.00 1.03 H new ATOM 0 HA MET A 100 0.475 1.613 -4.607 1.00 1.14 H new ATOM 0 HB2 MET A 100 2.557 1.009 -5.639 1.00 1.65 H new ATOM 0 HB3 MET A 100 1.507 -0.375 -5.864 1.00 1.65 H new ATOM 0 HG2 MET A 100 2.149 -0.199 -8.064 1.00 1.61 H new ATOM 0 HG3 MET A 100 0.905 1.033 -8.140 1.00 1.61 H new ATOM 0 HE1 MET A 100 4.804 1.982 -6.387 1.00 1.94 H new ATOM 0 HE2 MET A 100 4.205 0.343 -6.737 1.00 1.94 H new ATOM 0 HE3 MET A 100 5.308 1.150 -7.877 1.00 1.94 H new ATOM 1518 N ALA A 101 1.074 3.828 -5.551 1.00 0.93 N ATOM 1519 CA ALA A 101 1.109 5.218 -5.973 1.00 0.78 C ATOM 1520 C ALA A 101 2.466 5.519 -6.612 1.00 1.06 C ATOM 1521 O ALA A 101 3.338 4.654 -6.660 1.00 1.70 O ATOM 1522 CB ALA A 101 0.813 6.123 -4.776 1.00 0.76 C ATOM 0 H ALA A 101 1.490 3.649 -4.637 1.00 0.93 H new ATOM 0 HA ALA A 101 0.342 5.411 -6.724 1.00 0.78 H new ATOM 0 HB1 ALA A 101 0.839 7.166 -5.093 1.00 0.76 H new ATOM 0 HB2 ALA A 101 -0.175 5.889 -4.379 1.00 0.76 H new ATOM 0 HB3 ALA A 101 1.563 5.960 -4.002 1.00 0.76 H new ATOM 1528 N ASN A 102 2.601 6.748 -7.086 1.00 1.19 N ATOM 1529 CA ASN A 102 3.864 7.200 -7.646 1.00 1.53 C ATOM 1530 C ASN A 102 3.710 8.638 -8.144 1.00 1.42 C ATOM 1531 O ASN A 102 2.598 9.156 -8.226 1.00 1.49 O ATOM 1532 CB ASN A 102 4.283 6.330 -8.832 1.00 1.82 C ATOM 1533 CG ASN A 102 3.188 6.293 -9.900 1.00 2.04 C ATOM 1534 OD1 ASN A 102 2.849 7.291 -10.515 1.00 3.12 O ATOM 1535 ND2 ASN A 102 2.653 5.089 -10.083 1.00 2.31 N ATOM 0 H ASN A 102 1.857 7.446 -7.094 1.00 1.19 H new ATOM 0 HA ASN A 102 4.622 7.134 -6.866 1.00 1.53 H new ATOM 0 HB2 ASN A 102 5.205 6.719 -9.265 1.00 1.82 H new ATOM 0 HB3 ASN A 102 4.495 5.318 -8.488 1.00 1.82 H new ATOM 0 HD21 ASN A 102 1.912 4.959 -10.772 1.00 2.31 H new ATOM 0 HD22 ASN A 102 2.984 4.295 -9.534 1.00 2.31 H new ATOM 1542 N ALA A 103 4.845 9.244 -8.465 1.00 1.33 N ATOM 1543 CA ALA A 103 4.845 10.584 -9.029 1.00 1.19 C ATOM 1544 C ALA A 103 5.226 10.509 -10.508 1.00 1.09 C ATOM 1545 O ALA A 103 6.069 11.275 -10.975 1.00 1.24 O ATOM 1546 CB ALA A 103 5.793 11.475 -8.225 1.00 1.31 C ATOM 0 H ALA A 103 5.770 8.832 -8.345 1.00 1.33 H new ATOM 0 HA ALA A 103 3.851 11.028 -8.968 1.00 1.19 H new ATOM 0 HB1 ALA A 103 5.794 12.480 -8.647 1.00 1.31 H new ATOM 0 HB2 ALA A 103 5.460 11.517 -7.188 1.00 1.31 H new ATOM 0 HB3 ALA A 103 6.802 11.064 -8.266 1.00 1.31 H new ATOM 1552 N GLY A 104 4.590 9.580 -11.205 1.00 1.06 N ATOM 1553 CA GLY A 104 4.881 9.369 -12.613 1.00 1.09 C ATOM 1554 C GLY A 104 5.204 7.899 -12.891 1.00 1.22 C ATOM 1555 O GLY A 104 5.201 7.075 -11.978 1.00 1.36 O ATOM 0 H GLY A 104 3.873 8.964 -10.821 1.00 1.06 H new ATOM 0 HA2 GLY A 104 4.026 9.678 -13.215 1.00 1.09 H new ATOM 0 HA3 GLY A 104 5.723 9.993 -12.912 1.00 1.09 H new ATOM 1559 N PRO A 105 5.482 7.607 -14.190 1.00 1.30 N ATOM 1560 CA PRO A 105 5.780 6.247 -14.605 1.00 1.49 C ATOM 1561 C PRO A 105 7.191 5.839 -14.176 1.00 1.35 C ATOM 1562 O PRO A 105 8.157 6.548 -14.454 1.00 1.16 O ATOM 1563 CB PRO A 105 5.594 6.246 -16.114 1.00 1.74 C ATOM 1564 CG PRO A 105 5.654 7.703 -16.542 1.00 1.68 C ATOM 1565 CD PRO A 105 5.519 8.561 -15.294 1.00 1.38 C ATOM 0 HA PRO A 105 5.126 5.512 -14.136 1.00 1.49 H new ATOM 0 HB2 PRO A 105 6.374 5.663 -16.603 1.00 1.74 H new ATOM 0 HB3 PRO A 105 4.640 5.797 -16.390 1.00 1.74 H new ATOM 0 HG2 PRO A 105 6.595 7.913 -17.050 1.00 1.68 H new ATOM 0 HG3 PRO A 105 4.854 7.927 -17.248 1.00 1.68 H new ATOM 0 HD2 PRO A 105 6.358 9.250 -15.194 1.00 1.38 H new ATOM 0 HD3 PRO A 105 4.613 9.166 -15.325 1.00 1.38 H new ATOM 1573 N ASN A 106 7.264 4.700 -13.504 1.00 1.61 N ATOM 1574 CA ASN A 106 8.547 4.153 -13.096 1.00 1.62 C ATOM 1575 C ASN A 106 9.267 5.167 -12.204 1.00 1.45 C ATOM 1576 O ASN A 106 10.445 5.456 -12.412 1.00 1.41 O ATOM 1577 CB ASN A 106 9.438 3.873 -14.307 1.00 1.60 C ATOM 1578 CG ASN A 106 10.673 3.065 -13.906 1.00 3.42 C ATOM 1579 OD1 ASN A 106 10.909 2.781 -12.743 1.00 4.92 O ATOM 1580 ND2 ASN A 106 11.444 2.710 -14.929 1.00 3.88 N ATOM 0 H ASN A 106 6.456 4.141 -13.232 1.00 1.61 H new ATOM 0 HA ASN A 106 8.362 3.221 -12.563 1.00 1.62 H new ATOM 0 HB2 ASN A 106 8.871 3.327 -15.061 1.00 1.60 H new ATOM 0 HB3 ASN A 106 9.747 4.815 -14.761 1.00 1.60 H new ATOM 0 HD21 ASN A 106 12.291 2.167 -14.764 1.00 3.88 H new ATOM 0 HD22 ASN A 106 11.188 2.981 -15.879 1.00 3.88 H new ATOM 1587 N THR A 107 8.529 5.680 -11.230 1.00 1.56 N ATOM 1588 CA THR A 107 9.059 6.712 -10.355 1.00 1.61 C ATOM 1589 C THR A 107 9.090 6.219 -8.907 1.00 2.18 C ATOM 1590 O THR A 107 9.959 6.615 -8.132 1.00 3.01 O ATOM 1591 CB THR A 107 8.215 7.974 -10.549 1.00 1.34 C ATOM 1592 OG1 THR A 107 8.446 8.341 -11.906 1.00 2.26 O ATOM 1593 CG2 THR A 107 8.746 9.163 -9.745 1.00 2.13 C ATOM 0 H THR A 107 7.569 5.400 -11.028 1.00 1.56 H new ATOM 0 HA THR A 107 10.092 6.952 -10.606 1.00 1.61 H new ATOM 0 HB THR A 107 7.185 7.770 -10.257 1.00 1.34 H new ATOM 0 HG1 THR A 107 7.935 9.150 -12.118 1.00 2.26 H new ATOM 0 HG21 THR A 107 8.111 10.032 -9.918 1.00 2.13 H new ATOM 0 HG22 THR A 107 8.741 8.916 -8.683 1.00 2.13 H new ATOM 0 HG23 THR A 107 9.765 9.389 -10.060 1.00 2.13 H new ATOM 1601 N ASN A 108 8.133 5.361 -8.587 1.00 2.21 N ATOM 1602 CA ASN A 108 8.015 4.840 -7.235 1.00 2.75 C ATOM 1603 C ASN A 108 7.812 3.326 -7.293 1.00 1.47 C ATOM 1604 O ASN A 108 7.098 2.824 -8.160 1.00 2.22 O ATOM 1605 CB ASN A 108 6.815 5.452 -6.512 1.00 4.58 C ATOM 1606 CG ASN A 108 6.986 6.963 -6.344 1.00 6.53 C ATOM 1607 OD1 ASN A 108 6.869 7.734 -7.282 1.00 6.91 O ATOM 1608 ND2 ASN A 108 7.269 7.341 -5.101 1.00 8.23 N ATOM 0 H ASN A 108 7.432 5.013 -9.241 1.00 2.21 H new ATOM 0 HA ASN A 108 8.927 5.093 -6.695 1.00 2.75 H new ATOM 0 HB2 ASN A 108 5.904 5.246 -7.074 1.00 4.58 H new ATOM 0 HB3 ASN A 108 6.699 4.985 -5.534 1.00 4.58 H new ATOM 0 HD21 ASN A 108 7.402 8.329 -4.886 1.00 8.23 H new ATOM 0 HD22 ASN A 108 7.353 6.643 -4.362 1.00 8.23 H new ATOM 1615 N GLY A 109 8.452 2.637 -6.359 1.00 1.52 N ATOM 1616 CA GLY A 109 8.425 1.185 -6.348 1.00 1.97 C ATOM 1617 C GLY A 109 8.629 0.644 -4.932 1.00 1.67 C ATOM 1618 O GLY A 109 9.224 -0.417 -4.748 1.00 2.70 O ATOM 0 H GLY A 109 8.993 3.059 -5.604 1.00 1.52 H new ATOM 0 HA2 GLY A 109 7.472 0.832 -6.742 1.00 1.97 H new ATOM 0 HA3 GLY A 109 9.204 0.798 -7.005 1.00 1.97 H new ATOM 1622 N SER A 110 8.124 1.397 -3.967 1.00 1.22 N ATOM 1623 CA SER A 110 8.250 1.011 -2.571 1.00 1.84 C ATOM 1624 C SER A 110 7.091 1.591 -1.760 1.00 1.95 C ATOM 1625 O SER A 110 7.301 2.173 -0.697 1.00 3.44 O ATOM 1626 CB SER A 110 9.588 1.474 -1.991 1.00 2.46 C ATOM 1627 OG SER A 110 9.881 0.836 -0.750 1.00 3.22 O ATOM 0 H SER A 110 7.626 2.273 -4.124 1.00 1.22 H new ATOM 0 HA SER A 110 8.216 -0.077 -2.513 1.00 1.84 H new ATOM 0 HB2 SER A 110 10.385 1.263 -2.704 1.00 2.46 H new ATOM 0 HB3 SER A 110 9.567 2.554 -1.847 1.00 2.46 H new ATOM 0 HG SER A 110 10.828 0.585 -0.727 1.00 3.22 H new ATOM 1633 N GLN A 111 5.890 1.412 -2.293 1.00 1.35 N ATOM 1634 CA GLN A 111 4.698 1.929 -1.641 1.00 1.47 C ATOM 1635 C GLN A 111 3.467 1.135 -2.083 1.00 1.69 C ATOM 1636 O GLN A 111 3.508 0.426 -3.087 1.00 2.71 O ATOM 1637 CB GLN A 111 4.520 3.421 -1.925 1.00 1.51 C ATOM 1638 CG GLN A 111 5.569 3.919 -2.921 1.00 2.43 C ATOM 1639 CD GLN A 111 5.237 5.330 -3.409 1.00 3.15 C ATOM 1640 OE1 GLN A 111 5.845 6.311 -3.013 1.00 3.53 O ATOM 1641 NE2 GLN A 111 4.240 5.377 -4.288 1.00 4.65 N ATOM 0 H GLN A 111 5.717 0.917 -3.168 1.00 1.35 H new ATOM 0 HA GLN A 111 4.816 1.811 -0.564 1.00 1.47 H new ATOM 0 HB2 GLN A 111 3.521 3.602 -2.322 1.00 1.51 H new ATOM 0 HB3 GLN A 111 4.600 3.984 -0.995 1.00 1.51 H new ATOM 0 HG2 GLN A 111 6.552 3.915 -2.451 1.00 2.43 H new ATOM 0 HG3 GLN A 111 5.620 3.239 -3.771 1.00 2.43 H new ATOM 0 HE21 GLN A 111 3.774 4.517 -4.577 1.00 4.65 H new ATOM 0 HE22 GLN A 111 3.942 6.273 -4.673 1.00 4.65 H new ATOM 1650 N PHE A 112 2.399 1.282 -1.311 1.00 1.06 N ATOM 1651 CA PHE A 112 1.119 0.707 -1.687 1.00 1.09 C ATOM 1652 C PHE A 112 -0.035 1.449 -1.011 1.00 1.03 C ATOM 1653 O PHE A 112 0.084 1.873 0.138 1.00 1.41 O ATOM 1654 CB PHE A 112 1.125 -0.747 -1.211 1.00 1.29 C ATOM 1655 CG PHE A 112 1.816 -0.957 0.137 1.00 1.56 C ATOM 1656 CD1 PHE A 112 1.120 -0.785 1.293 1.00 2.47 C ATOM 1657 CD2 PHE A 112 3.127 -1.317 0.181 1.00 2.66 C ATOM 1658 CE1 PHE A 112 1.761 -0.979 2.545 1.00 2.83 C ATOM 1659 CE2 PHE A 112 3.768 -1.513 1.432 1.00 3.07 C ATOM 1660 CZ PHE A 112 3.072 -1.339 2.588 1.00 2.56 C ATOM 0 H PHE A 112 2.395 1.791 -0.427 1.00 1.06 H new ATOM 0 HA PHE A 112 0.980 0.781 -2.766 1.00 1.09 H new ATOM 0 HB2 PHE A 112 0.096 -1.099 -1.139 1.00 1.29 H new ATOM 0 HB3 PHE A 112 1.621 -1.362 -1.962 1.00 1.29 H new ATOM 0 HD1 PHE A 112 0.079 -0.501 1.258 1.00 2.47 H new ATOM 0 HD2 PHE A 112 3.680 -1.454 -0.736 1.00 2.66 H new ATOM 0 HE1 PHE A 112 1.208 -0.841 3.462 1.00 2.83 H new ATOM 0 HE2 PHE A 112 4.809 -1.800 1.466 1.00 3.07 H new ATOM 0 HZ PHE A 112 3.560 -1.487 3.540 1.00 2.56 H new ATOM 1670 N PHE A 113 -1.126 1.581 -1.751 1.00 0.76 N ATOM 1671 CA PHE A 113 -2.251 2.377 -1.290 1.00 0.82 C ATOM 1672 C PHE A 113 -3.563 1.605 -1.433 1.00 0.78 C ATOM 1673 O PHE A 113 -4.007 1.330 -2.547 1.00 1.37 O ATOM 1674 CB PHE A 113 -2.307 3.626 -2.172 1.00 1.12 C ATOM 1675 CG PHE A 113 -1.233 4.666 -1.848 1.00 2.23 C ATOM 1676 CD1 PHE A 113 0.079 4.376 -2.058 1.00 3.34 C ATOM 1677 CD2 PHE A 113 -1.590 5.881 -1.353 1.00 3.36 C ATOM 1678 CE1 PHE A 113 1.076 5.341 -1.758 1.00 4.89 C ATOM 1679 CE2 PHE A 113 -0.593 6.846 -1.052 1.00 4.87 C ATOM 1680 CZ PHE A 113 0.720 6.556 -1.261 1.00 5.44 C ATOM 0 H PHE A 113 -1.255 1.150 -2.667 1.00 0.76 H new ATOM 0 HA PHE A 113 -2.122 2.629 -0.237 1.00 0.82 H new ATOM 0 HB2 PHE A 113 -2.205 3.326 -3.215 1.00 1.12 H new ATOM 0 HB3 PHE A 113 -3.289 4.088 -2.068 1.00 1.12 H new ATOM 0 HD1 PHE A 113 0.362 3.412 -2.453 1.00 3.34 H new ATOM 0 HD2 PHE A 113 -2.632 6.112 -1.189 1.00 3.36 H new ATOM 0 HE1 PHE A 113 2.118 5.110 -1.925 1.00 4.89 H new ATOM 0 HE2 PHE A 113 -0.877 7.810 -0.657 1.00 4.87 H new ATOM 0 HZ PHE A 113 1.479 7.290 -1.032 1.00 5.44 H new ATOM 1690 N ILE A 114 -4.148 1.278 -0.290 1.00 0.79 N ATOM 1691 CA ILE A 114 -5.317 0.414 -0.268 1.00 0.73 C ATOM 1692 C ILE A 114 -6.558 1.234 -0.624 1.00 0.67 C ATOM 1693 O ILE A 114 -7.138 1.896 0.236 1.00 1.09 O ATOM 1694 CB ILE A 114 -5.422 -0.311 1.075 1.00 0.81 C ATOM 1695 CG1 ILE A 114 -4.139 -1.085 1.383 1.00 0.96 C ATOM 1696 CG2 ILE A 114 -6.659 -1.211 1.117 1.00 0.88 C ATOM 1697 CD1 ILE A 114 -3.892 -1.159 2.890 1.00 0.99 C ATOM 0 H ILE A 114 -3.835 1.595 0.627 1.00 0.79 H new ATOM 0 HA ILE A 114 -5.226 -0.370 -1.020 1.00 0.73 H new ATOM 0 HB ILE A 114 -5.542 0.437 1.858 1.00 0.81 H new ATOM 0 HG12 ILE A 114 -4.210 -2.092 0.973 1.00 0.96 H new ATOM 0 HG13 ILE A 114 -3.292 -0.602 0.895 1.00 0.96 H new ATOM 0 HG21 ILE A 114 -6.710 -1.715 2.082 1.00 0.88 H new ATOM 0 HG22 ILE A 114 -7.554 -0.606 0.976 1.00 0.88 H new ATOM 0 HG23 ILE A 114 -6.595 -1.955 0.323 1.00 0.88 H new ATOM 0 HD11 ILE A 114 -2.974 -1.714 3.081 1.00 0.99 H new ATOM 0 HD12 ILE A 114 -3.797 -0.151 3.293 1.00 0.99 H new ATOM 0 HD13 ILE A 114 -4.729 -1.665 3.371 1.00 0.99 H new ATOM 1709 N CYS A 115 -6.932 1.163 -1.893 1.00 0.69 N ATOM 1710 CA CYS A 115 -8.108 1.872 -2.368 1.00 0.70 C ATOM 1711 C CYS A 115 -9.333 1.305 -1.647 1.00 0.69 C ATOM 1712 O CYS A 115 -9.599 0.106 -1.716 1.00 0.85 O ATOM 1713 CB CYS A 115 -8.248 1.780 -3.889 1.00 0.86 C ATOM 1714 SG CYS A 115 -9.804 2.582 -4.424 1.00 2.00 S ATOM 0 H CYS A 115 -6.441 0.625 -2.607 1.00 0.69 H new ATOM 0 HA CYS A 115 -8.012 2.934 -2.141 1.00 0.70 H new ATOM 0 HB2 CYS A 115 -7.397 2.261 -4.371 1.00 0.86 H new ATOM 0 HB3 CYS A 115 -8.242 0.735 -4.201 1.00 0.86 H new ATOM 0 HG CYS A 115 -9.620 3.164 -5.572 1.00 2.00 H new ATOM 1720 N THR A 116 -10.047 2.194 -0.973 1.00 0.63 N ATOM 1721 CA THR A 116 -11.211 1.791 -0.202 1.00 0.66 C ATOM 1722 C THR A 116 -12.444 2.577 -0.648 1.00 0.71 C ATOM 1723 O THR A 116 -13.188 3.096 0.184 1.00 1.04 O ATOM 1724 CB THR A 116 -10.880 1.968 1.282 1.00 0.75 C ATOM 1725 OG1 THR A 116 -9.679 1.222 1.461 1.00 1.51 O ATOM 1726 CG2 THR A 116 -11.891 1.273 2.194 1.00 1.09 C ATOM 0 H THR A 116 -9.842 3.193 -0.945 1.00 0.63 H new ATOM 0 HA THR A 116 -11.455 0.742 -0.372 1.00 0.66 H new ATOM 0 HB THR A 116 -10.846 3.031 1.522 1.00 0.75 H new ATOM 0 HG1 THR A 116 -8.924 1.721 1.085 1.00 1.51 H new ATOM 0 HG21 THR A 116 -11.610 1.430 3.235 1.00 1.09 H new ATOM 0 HG22 THR A 116 -12.884 1.688 2.020 1.00 1.09 H new ATOM 0 HG23 THR A 116 -11.902 0.205 1.978 1.00 1.09 H new ATOM 1734 N ALA A 117 -12.625 2.641 -1.959 1.00 0.54 N ATOM 1735 CA ALA A 117 -13.803 3.278 -2.523 1.00 0.57 C ATOM 1736 C ALA A 117 -13.728 3.219 -4.049 1.00 0.55 C ATOM 1737 O ALA A 117 -12.763 2.698 -4.607 1.00 0.53 O ATOM 1738 CB ALA A 117 -13.907 4.712 -1.999 1.00 0.72 C ATOM 0 H ALA A 117 -11.975 2.262 -2.647 1.00 0.54 H new ATOM 0 HA ALA A 117 -14.708 2.752 -2.217 1.00 0.57 H new ATOM 0 HB1 ALA A 117 -14.790 5.191 -2.422 1.00 0.72 H new ATOM 0 HB2 ALA A 117 -13.987 4.697 -0.912 1.00 0.72 H new ATOM 0 HB3 ALA A 117 -13.018 5.271 -2.290 1.00 0.72 H new ATOM 1744 N LYS A 118 -14.759 3.759 -4.682 1.00 0.71 N ATOM 1745 CA LYS A 118 -14.820 3.780 -6.133 1.00 0.80 C ATOM 1746 C LYS A 118 -13.954 4.926 -6.659 1.00 0.75 C ATOM 1747 O LYS A 118 -14.412 6.064 -6.750 1.00 1.03 O ATOM 1748 CB LYS A 118 -16.273 3.838 -6.608 1.00 1.05 C ATOM 1749 CG LYS A 118 -16.359 3.692 -8.129 1.00 1.31 C ATOM 1750 CD LYS A 118 -17.541 4.484 -8.689 1.00 2.25 C ATOM 1751 CE LYS A 118 -17.640 4.322 -10.208 1.00 2.67 C ATOM 1752 NZ LYS A 118 -18.349 5.474 -10.808 1.00 4.35 N ATOM 0 H LYS A 118 -15.560 4.186 -4.216 1.00 0.71 H new ATOM 0 HA LYS A 118 -14.412 2.857 -6.545 1.00 0.80 H new ATOM 0 HB2 LYS A 118 -16.848 3.045 -6.130 1.00 1.05 H new ATOM 0 HB3 LYS A 118 -16.721 4.784 -6.304 1.00 1.05 H new ATOM 0 HG2 LYS A 118 -15.433 4.043 -8.585 1.00 1.31 H new ATOM 0 HG3 LYS A 118 -16.465 2.639 -8.392 1.00 1.31 H new ATOM 0 HD2 LYS A 118 -18.465 4.143 -8.222 1.00 2.25 H new ATOM 0 HD3 LYS A 118 -17.428 5.539 -8.439 1.00 2.25 H new ATOM 0 HE2 LYS A 118 -16.641 4.239 -10.636 1.00 2.67 H new ATOM 0 HE3 LYS A 118 -18.167 3.398 -10.447 1.00 2.67 H new ATOM 0 HZ1 LYS A 118 -18.108 5.542 -11.817 1.00 4.35 H new ATOM 0 HZ2 LYS A 118 -19.375 5.342 -10.705 1.00 4.35 H new ATOM 0 HZ3 LYS A 118 -18.062 6.349 -10.324 1.00 4.35 H new ATOM 1766 N THR A 119 -12.717 4.586 -6.993 1.00 0.66 N ATOM 1767 CA THR A 119 -11.789 5.570 -7.526 1.00 0.64 C ATOM 1768 C THR A 119 -11.535 5.310 -9.011 1.00 0.63 C ATOM 1769 O THR A 119 -10.500 4.755 -9.380 1.00 0.69 O ATOM 1770 CB THR A 119 -10.518 5.531 -6.675 1.00 0.73 C ATOM 1771 OG1 THR A 119 -10.055 4.189 -6.804 1.00 0.87 O ATOM 1772 CG2 THR A 119 -10.809 5.682 -5.180 1.00 0.69 C ATOM 0 H THR A 119 -12.336 3.644 -6.905 1.00 0.66 H new ATOM 0 HA THR A 119 -12.203 6.577 -7.470 1.00 0.64 H new ATOM 0 HB THR A 119 -9.843 6.324 -6.995 1.00 0.73 H new ATOM 0 HG1 THR A 119 -9.827 4.010 -7.740 1.00 0.87 H new ATOM 0 HG21 THR A 119 -9.873 5.648 -4.622 1.00 0.69 H new ATOM 0 HG22 THR A 119 -11.304 6.636 -5.000 1.00 0.69 H new ATOM 0 HG23 THR A 119 -11.457 4.870 -4.852 1.00 0.69 H new ATOM 1780 N GLU A 120 -12.495 5.723 -9.826 1.00 0.63 N ATOM 1781 CA GLU A 120 -12.433 5.457 -11.253 1.00 0.70 C ATOM 1782 C GLU A 120 -11.549 6.496 -11.948 1.00 0.69 C ATOM 1783 O GLU A 120 -11.253 6.368 -13.135 1.00 0.77 O ATOM 1784 CB GLU A 120 -13.833 5.429 -11.867 1.00 0.90 C ATOM 1785 CG GLU A 120 -14.434 6.836 -11.927 1.00 1.95 C ATOM 1786 CD GLU A 120 -15.949 6.794 -11.725 1.00 2.48 C ATOM 1787 OE1 GLU A 120 -16.633 6.310 -12.653 1.00 2.65 O ATOM 1788 OE2 GLU A 120 -16.391 7.246 -10.646 1.00 3.73 O ATOM 0 H GLU A 120 -13.321 6.240 -9.525 1.00 0.63 H new ATOM 0 HA GLU A 120 -11.988 4.473 -11.401 1.00 0.70 H new ATOM 0 HB2 GLU A 120 -13.785 5.007 -12.871 1.00 0.90 H new ATOM 0 HB3 GLU A 120 -14.479 4.778 -11.278 1.00 0.90 H new ATOM 0 HG2 GLU A 120 -13.979 7.463 -11.160 1.00 1.95 H new ATOM 0 HG3 GLU A 120 -14.204 7.293 -12.890 1.00 1.95 H new ATOM 1795 N TRP A 121 -11.154 7.499 -11.180 1.00 0.68 N ATOM 1796 CA TRP A 121 -10.332 8.572 -11.713 1.00 0.74 C ATOM 1797 C TRP A 121 -8.868 8.236 -11.421 1.00 0.74 C ATOM 1798 O TRP A 121 -7.971 9.005 -11.763 1.00 0.88 O ATOM 1799 CB TRP A 121 -10.759 9.925 -11.142 1.00 0.80 C ATOM 1800 CG TRP A 121 -10.243 10.195 -9.727 1.00 0.76 C ATOM 1801 CD1 TRP A 121 -9.083 10.762 -9.367 1.00 0.78 C ATOM 1802 CD2 TRP A 121 -10.921 9.887 -8.492 1.00 0.74 C ATOM 1803 NE1 TRP A 121 -8.963 10.840 -7.995 1.00 0.77 N ATOM 1804 CE2 TRP A 121 -10.117 10.291 -7.445 1.00 0.74 C ATOM 1805 CE3 TRP A 121 -12.171 9.286 -8.264 1.00 0.76 C ATOM 1806 CZ2 TRP A 121 -10.475 10.138 -6.100 1.00 0.76 C ATOM 1807 CZ3 TRP A 121 -12.514 9.140 -6.916 1.00 0.79 C ATOM 1808 CH2 TRP A 121 -11.717 9.541 -5.851 1.00 0.78 C ATOM 0 H TRP A 121 -11.388 7.592 -10.192 1.00 0.68 H new ATOM 0 HA TRP A 121 -10.462 8.657 -12.792 1.00 0.74 H new ATOM 0 HB2 TRP A 121 -10.404 10.715 -11.804 1.00 0.80 H new ATOM 0 HB3 TRP A 121 -11.848 9.978 -11.137 1.00 0.80 H new ATOM 0 HD1 TRP A 121 -8.336 11.114 -10.064 1.00 0.78 H new ATOM 0 HE1 TRP A 121 -8.174 11.229 -7.479 1.00 0.77 H new ATOM 0 HE3 TRP A 121 -12.816 8.962 -9.067 1.00 0.76 H new ATOM 0 HZ2 TRP A 121 -9.828 10.463 -5.298 1.00 0.76 H new ATOM 0 HZ3 TRP A 121 -13.465 8.683 -6.687 1.00 0.79 H new ATOM 0 HH2 TRP A 121 -12.054 9.393 -4.836 1.00 0.78 H new ATOM 1819 N LEU A 122 -8.672 7.086 -10.795 1.00 0.62 N ATOM 1820 CA LEU A 122 -7.329 6.601 -10.522 1.00 0.67 C ATOM 1821 C LEU A 122 -7.182 5.180 -11.068 1.00 0.79 C ATOM 1822 O LEU A 122 -6.287 4.443 -10.659 1.00 1.20 O ATOM 1823 CB LEU A 122 -7.009 6.723 -9.029 1.00 0.83 C ATOM 1824 CG LEU A 122 -7.088 8.131 -8.439 1.00 0.94 C ATOM 1825 CD1 LEU A 122 -7.018 8.091 -6.911 1.00 1.21 C ATOM 1826 CD2 LEU A 122 -6.010 9.038 -9.038 1.00 0.88 C ATOM 0 H LEU A 122 -9.421 6.475 -10.468 1.00 0.62 H new ATOM 0 HA LEU A 122 -6.590 7.217 -11.035 1.00 0.67 H new ATOM 0 HB2 LEU A 122 -7.695 6.080 -8.477 1.00 0.83 H new ATOM 0 HB3 LEU A 122 -6.004 6.336 -8.860 1.00 0.83 H new ATOM 0 HG LEU A 122 -8.054 8.559 -8.706 1.00 0.94 H new ATOM 0 HD11 LEU A 122 -7.076 9.106 -6.517 1.00 1.21 H new ATOM 0 HD12 LEU A 122 -7.850 7.503 -6.524 1.00 1.21 H new ATOM 0 HD13 LEU A 122 -6.077 7.635 -6.602 1.00 1.21 H new ATOM 0 HD21 LEU A 122 -6.088 10.034 -8.601 1.00 0.88 H new ATOM 0 HD22 LEU A 122 -5.025 8.624 -8.823 1.00 0.88 H new ATOM 0 HD23 LEU A 122 -6.148 9.103 -10.117 1.00 0.88 H new ATOM 1838 N ASP A 123 -8.076 4.838 -11.984 1.00 0.67 N ATOM 1839 CA ASP A 123 -8.109 3.492 -12.531 1.00 0.78 C ATOM 1840 C ASP A 123 -6.933 3.309 -13.493 1.00 1.07 C ATOM 1841 O ASP A 123 -6.650 4.186 -14.308 1.00 1.96 O ATOM 1842 CB ASP A 123 -9.401 3.247 -13.313 1.00 0.73 C ATOM 1843 CG ASP A 123 -9.658 1.789 -13.697 1.00 0.92 C ATOM 1844 OD1 ASP A 123 -8.828 0.943 -13.300 1.00 1.99 O ATOM 1845 OD2 ASP A 123 -10.678 1.552 -14.380 1.00 1.81 O ATOM 0 H ASP A 123 -8.783 5.469 -12.361 1.00 0.67 H new ATOM 0 HA ASP A 123 -8.051 2.789 -11.700 1.00 0.78 H new ATOM 0 HB2 ASP A 123 -10.241 3.604 -12.718 1.00 0.73 H new ATOM 0 HB3 ASP A 123 -9.377 3.848 -14.222 1.00 0.73 H new ATOM 1850 N GLY A 124 -6.281 2.163 -13.367 1.00 2.37 N ATOM 1851 CA GLY A 124 -5.177 1.829 -14.251 1.00 2.88 C ATOM 1852 C GLY A 124 -3.885 2.512 -13.797 1.00 3.11 C ATOM 1853 O GLY A 124 -2.900 1.843 -13.489 1.00 4.82 O ATOM 0 H GLY A 124 -6.496 1.454 -12.666 1.00 2.37 H new ATOM 0 HA2 GLY A 124 -5.035 0.748 -14.269 1.00 2.88 H new ATOM 0 HA3 GLY A 124 -5.416 2.136 -15.269 1.00 2.88 H new ATOM 1857 N LYS A 125 -3.932 3.836 -13.768 1.00 1.55 N ATOM 1858 CA LYS A 125 -2.721 4.625 -13.610 1.00 1.51 C ATOM 1859 C LYS A 125 -1.848 3.997 -12.520 1.00 1.43 C ATOM 1860 O LYS A 125 -0.646 3.818 -12.710 1.00 1.62 O ATOM 1861 CB LYS A 125 -3.067 6.092 -13.351 1.00 1.47 C ATOM 1862 CG LYS A 125 -2.022 7.020 -13.973 1.00 2.32 C ATOM 1863 CD LYS A 125 -0.685 6.912 -13.238 1.00 3.96 C ATOM 1864 CE LYS A 125 0.363 6.210 -14.106 1.00 5.68 C ATOM 1865 NZ LYS A 125 1.364 5.525 -13.257 1.00 7.16 N ATOM 0 H LYS A 125 -4.789 4.382 -13.851 1.00 1.55 H new ATOM 0 HA LYS A 125 -2.138 4.617 -14.531 1.00 1.51 H new ATOM 0 HB2 LYS A 125 -4.050 6.316 -13.765 1.00 1.47 H new ATOM 0 HB3 LYS A 125 -3.125 6.272 -12.277 1.00 1.47 H new ATOM 0 HG2 LYS A 125 -1.885 6.766 -15.024 1.00 2.32 H new ATOM 0 HG3 LYS A 125 -2.378 8.050 -13.938 1.00 2.32 H new ATOM 0 HD2 LYS A 125 -0.332 7.908 -12.969 1.00 3.96 H new ATOM 0 HD3 LYS A 125 -0.821 6.360 -12.308 1.00 3.96 H new ATOM 0 HE2 LYS A 125 -0.123 5.487 -14.761 1.00 5.68 H new ATOM 0 HE3 LYS A 125 0.859 6.938 -14.748 1.00 5.68 H new ATOM 0 HZ1 LYS A 125 2.028 4.998 -13.860 1.00 7.16 H new ATOM 0 HZ2 LYS A 125 1.887 6.230 -12.700 1.00 7.16 H new ATOM 0 HZ3 LYS A 125 0.881 4.865 -12.615 1.00 7.16 H new ATOM 1879 N HIS A 126 -2.487 3.681 -11.404 1.00 1.32 N ATOM 1880 CA HIS A 126 -1.760 3.427 -10.171 1.00 1.38 C ATOM 1881 C HIS A 126 -1.723 1.924 -9.896 1.00 1.80 C ATOM 1882 O HIS A 126 -1.630 1.501 -8.744 1.00 3.72 O ATOM 1883 CB HIS A 126 -2.359 4.229 -9.013 1.00 1.36 C ATOM 1884 CG HIS A 126 -1.817 5.632 -8.892 1.00 1.42 C ATOM 1885 ND1 HIS A 126 -0.534 6.097 -8.909 1.00 1.37 N flip ATOM 1886 CD2 HIS A 126 -2.631 6.739 -8.731 1.00 3.03 C flip ATOM 1887 CE1 HIS A 126 -0.564 7.417 -8.767 1.00 1.05 C flip ATOM 1888 NE2 HIS A 126 -1.863 7.817 -8.656 1.00 2.54 N flip ATOM 0 H HIS A 126 -3.500 3.595 -11.327 1.00 1.32 H new ATOM 0 HA HIS A 126 -0.729 3.765 -10.276 1.00 1.38 H new ATOM 0 HB2 HIS A 126 -3.440 4.278 -9.140 1.00 1.36 H new ATOM 0 HB3 HIS A 126 -2.171 3.697 -8.081 1.00 1.36 H new ATOM 0 HD1 HIS A 126 0.306 5.527 -9.013 1.00 1.37 H new ATOM 0 HD2 HIS A 126 -3.710 6.727 -8.676 1.00 3.03 H new ATOM 0 HE1 HIS A 126 0.298 8.067 -8.743 1.00 1.05 H new ATOM 1896 N VAL A 127 -1.799 1.155 -10.973 1.00 0.68 N ATOM 1897 CA VAL A 127 -1.544 -0.273 -10.892 1.00 0.69 C ATOM 1898 C VAL A 127 -2.613 -0.930 -10.017 1.00 0.77 C ATOM 1899 O VAL A 127 -3.187 -0.282 -9.143 1.00 1.45 O ATOM 1900 CB VAL A 127 -0.121 -0.523 -10.389 1.00 1.20 C ATOM 1901 CG1 VAL A 127 0.267 -1.995 -10.547 1.00 1.06 C ATOM 1902 CG2 VAL A 127 0.881 0.388 -11.101 1.00 1.74 C ATOM 0 H VAL A 127 -2.034 1.494 -11.906 1.00 0.68 H new ATOM 0 HA VAL A 127 -1.609 -0.729 -11.880 1.00 0.69 H new ATOM 0 HB VAL A 127 -0.095 -0.283 -9.326 1.00 1.20 H new ATOM 0 HG11 VAL A 127 1.283 -2.145 -10.182 1.00 1.06 H new ATOM 0 HG12 VAL A 127 -0.420 -2.616 -9.973 1.00 1.06 H new ATOM 0 HG13 VAL A 127 0.215 -2.274 -11.599 1.00 1.06 H new ATOM 0 HG21 VAL A 127 1.884 0.190 -10.725 1.00 1.74 H new ATOM 0 HG22 VAL A 127 0.851 0.194 -12.173 1.00 1.74 H new ATOM 0 HG23 VAL A 127 0.623 1.430 -10.913 1.00 1.74 H new ATOM 1912 N VAL A 128 -2.847 -2.206 -10.281 1.00 0.49 N ATOM 1913 CA VAL A 128 -3.497 -3.066 -9.306 1.00 0.49 C ATOM 1914 C VAL A 128 -2.880 -4.465 -9.375 1.00 0.54 C ATOM 1915 O VAL A 128 -2.895 -5.103 -10.425 1.00 0.63 O ATOM 1916 CB VAL A 128 -5.009 -3.067 -9.536 1.00 0.48 C ATOM 1917 CG1 VAL A 128 -5.705 -4.052 -8.594 1.00 0.67 C ATOM 1918 CG2 VAL A 128 -5.588 -1.660 -9.383 1.00 0.63 C ATOM 0 H VAL A 128 -2.598 -2.666 -11.157 1.00 0.49 H new ATOM 0 HA VAL A 128 -3.336 -2.689 -8.296 1.00 0.49 H new ATOM 0 HB VAL A 128 -5.192 -3.394 -10.559 1.00 0.48 H new ATOM 0 HG11 VAL A 128 -6.779 -4.034 -8.778 1.00 0.67 H new ATOM 0 HG12 VAL A 128 -5.323 -5.057 -8.772 1.00 0.67 H new ATOM 0 HG13 VAL A 128 -5.509 -3.767 -7.560 1.00 0.67 H new ATOM 0 HG21 VAL A 128 -6.664 -1.689 -9.552 1.00 0.63 H new ATOM 0 HG22 VAL A 128 -5.388 -1.292 -8.377 1.00 0.63 H new ATOM 0 HG23 VAL A 128 -5.125 -0.995 -10.111 1.00 0.63 H new ATOM 1928 N PHE A 129 -2.352 -4.900 -8.240 1.00 0.63 N ATOM 1929 CA PHE A 129 -1.569 -6.123 -8.199 1.00 0.68 C ATOM 1930 C PHE A 129 -1.863 -6.920 -6.927 1.00 0.70 C ATOM 1931 O PHE A 129 -0.995 -7.626 -6.418 1.00 0.89 O ATOM 1932 CB PHE A 129 -0.095 -5.712 -8.200 1.00 0.80 C ATOM 1933 CG PHE A 129 0.360 -5.028 -6.910 1.00 1.52 C ATOM 1934 CD1 PHE A 129 0.009 -3.737 -6.664 1.00 2.60 C ATOM 1935 CD2 PHE A 129 1.117 -5.711 -6.008 1.00 2.68 C ATOM 1936 CE1 PHE A 129 0.431 -3.102 -5.466 1.00 3.38 C ATOM 1937 CE2 PHE A 129 1.539 -5.075 -4.810 1.00 3.47 C ATOM 1938 CZ PHE A 129 1.188 -3.784 -4.564 1.00 3.41 C ATOM 0 H PHE A 129 -2.451 -4.427 -7.342 1.00 0.63 H new ATOM 0 HA PHE A 129 -1.816 -6.751 -9.055 1.00 0.68 H new ATOM 0 HB2 PHE A 129 0.519 -6.598 -8.366 1.00 0.80 H new ATOM 0 HB3 PHE A 129 0.084 -5.039 -9.039 1.00 0.80 H new ATOM 0 HD1 PHE A 129 -0.591 -3.195 -7.380 1.00 2.60 H new ATOM 0 HD2 PHE A 129 1.397 -6.736 -6.203 1.00 2.68 H new ATOM 0 HE1 PHE A 129 0.151 -2.077 -5.271 1.00 3.38 H new ATOM 0 HE2 PHE A 129 2.139 -5.617 -4.094 1.00 3.47 H new ATOM 0 HZ PHE A 129 1.510 -3.301 -3.653 1.00 3.41 H new ATOM 1948 N GLY A 130 -3.093 -6.782 -6.452 1.00 0.63 N ATOM 1949 CA GLY A 130 -3.536 -7.538 -5.293 1.00 0.69 C ATOM 1950 C GLY A 130 -4.961 -7.148 -4.896 1.00 0.63 C ATOM 1951 O GLY A 130 -5.500 -6.160 -5.393 1.00 0.64 O ATOM 0 H GLY A 130 -3.796 -6.158 -6.849 1.00 0.63 H new ATOM 0 HA2 GLY A 130 -3.495 -8.605 -5.513 1.00 0.69 H new ATOM 0 HA3 GLY A 130 -2.860 -7.359 -4.457 1.00 0.69 H new ATOM 1955 N LYS A 131 -5.533 -7.946 -4.006 1.00 0.66 N ATOM 1956 CA LYS A 131 -6.891 -7.704 -3.547 1.00 0.69 C ATOM 1957 C LYS A 131 -7.002 -8.095 -2.072 1.00 0.69 C ATOM 1958 O LYS A 131 -6.389 -9.067 -1.635 1.00 0.90 O ATOM 1959 CB LYS A 131 -7.897 -8.420 -4.451 1.00 0.81 C ATOM 1960 CG LYS A 131 -9.296 -8.406 -3.831 1.00 1.50 C ATOM 1961 CD LYS A 131 -10.327 -8.999 -4.793 1.00 1.77 C ATOM 1962 CE LYS A 131 -10.052 -10.483 -5.045 1.00 2.16 C ATOM 1963 NZ LYS A 131 -11.226 -11.129 -5.673 1.00 3.30 N ATOM 0 H LYS A 131 -5.081 -8.761 -3.590 1.00 0.66 H new ATOM 0 HA LYS A 131 -7.134 -6.644 -3.616 1.00 0.69 H new ATOM 0 HB2 LYS A 131 -7.923 -7.936 -5.427 1.00 0.81 H new ATOM 0 HB3 LYS A 131 -7.577 -9.449 -4.614 1.00 0.81 H new ATOM 0 HG2 LYS A 131 -9.291 -8.975 -2.901 1.00 1.50 H new ATOM 0 HG3 LYS A 131 -9.575 -7.383 -3.578 1.00 1.50 H new ATOM 0 HD2 LYS A 131 -11.328 -8.876 -4.380 1.00 1.77 H new ATOM 0 HD3 LYS A 131 -10.303 -8.456 -5.738 1.00 1.77 H new ATOM 0 HE2 LYS A 131 -9.181 -10.593 -5.691 1.00 2.16 H new ATOM 0 HE3 LYS A 131 -9.816 -10.980 -4.104 1.00 2.16 H new ATOM 0 HZ1 LYS A 131 -11.022 -12.136 -5.837 1.00 3.30 H new ATOM 0 HZ2 LYS A 131 -12.049 -11.041 -5.043 1.00 3.30 H new ATOM 0 HZ3 LYS A 131 -11.433 -10.665 -6.581 1.00 3.30 H new ATOM 1977 N VAL A 132 -7.790 -7.315 -1.345 1.00 0.53 N ATOM 1978 CA VAL A 132 -7.985 -7.563 0.073 1.00 0.52 C ATOM 1979 C VAL A 132 -8.792 -8.851 0.255 1.00 0.59 C ATOM 1980 O VAL A 132 -9.868 -9.001 -0.322 1.00 0.81 O ATOM 1981 CB VAL A 132 -8.643 -6.349 0.731 1.00 0.61 C ATOM 1982 CG1 VAL A 132 -9.099 -6.676 2.154 1.00 0.89 C ATOM 1983 CG2 VAL A 132 -7.701 -5.143 0.721 1.00 0.72 C ATOM 0 H VAL A 132 -8.300 -6.512 -1.712 1.00 0.53 H new ATOM 0 HA VAL A 132 -7.026 -7.706 0.571 1.00 0.52 H new ATOM 0 HB VAL A 132 -9.527 -6.090 0.148 1.00 0.61 H new ATOM 0 HG11 VAL A 132 -9.563 -5.796 2.599 1.00 0.89 H new ATOM 0 HG12 VAL A 132 -9.821 -7.492 2.126 1.00 0.89 H new ATOM 0 HG13 VAL A 132 -8.238 -6.974 2.753 1.00 0.89 H new ATOM 0 HG21 VAL A 132 -8.193 -4.293 1.195 1.00 0.72 H new ATOM 0 HG22 VAL A 132 -6.791 -5.387 1.269 1.00 0.72 H new ATOM 0 HG23 VAL A 132 -7.447 -4.888 -0.308 1.00 0.72 H new ATOM 1993 N LYS A 133 -8.240 -9.749 1.058 1.00 0.68 N ATOM 1994 CA LYS A 133 -8.861 -11.046 1.270 1.00 0.80 C ATOM 1995 C LYS A 133 -9.340 -11.145 2.720 1.00 0.91 C ATOM 1996 O LYS A 133 -8.663 -11.733 3.562 1.00 2.57 O ATOM 1997 CB LYS A 133 -7.908 -12.169 0.858 1.00 1.04 C ATOM 1998 CG LYS A 133 -8.673 -13.466 0.588 1.00 1.51 C ATOM 1999 CD LYS A 133 -7.712 -14.630 0.340 1.00 1.91 C ATOM 2000 CE LYS A 133 -8.331 -15.660 -0.606 1.00 2.81 C ATOM 2001 NZ LYS A 133 -8.153 -15.244 -2.015 1.00 4.30 N ATOM 0 H LYS A 133 -7.370 -9.604 1.570 1.00 0.68 H new ATOM 0 HA LYS A 133 -9.740 -11.157 0.635 1.00 0.80 H new ATOM 0 HB2 LYS A 133 -7.358 -11.874 -0.036 1.00 1.04 H new ATOM 0 HB3 LYS A 133 -7.172 -12.334 1.645 1.00 1.04 H new ATOM 0 HG2 LYS A 133 -9.316 -13.696 1.437 1.00 1.51 H new ATOM 0 HG3 LYS A 133 -9.322 -13.336 -0.278 1.00 1.51 H new ATOM 0 HD2 LYS A 133 -6.781 -14.254 -0.085 1.00 1.91 H new ATOM 0 HD3 LYS A 133 -7.460 -15.106 1.287 1.00 1.91 H new ATOM 0 HE2 LYS A 133 -7.867 -16.633 -0.447 1.00 2.81 H new ATOM 0 HE3 LYS A 133 -9.392 -15.773 -0.386 1.00 2.81 H new ATOM 0 HZ1 LYS A 133 -8.832 -15.754 -2.616 1.00 4.30 H new ATOM 0 HZ2 LYS A 133 -8.318 -14.221 -2.098 1.00 4.30 H new ATOM 0 HZ3 LYS A 133 -7.184 -15.465 -2.322 1.00 4.30 H new ATOM 2015 N GLU A 134 -10.504 -10.563 2.966 1.00 1.36 N ATOM 2016 CA GLU A 134 -11.099 -10.609 4.291 1.00 1.31 C ATOM 2017 C GLU A 134 -10.262 -9.794 5.278 1.00 1.27 C ATOM 2018 O GLU A 134 -9.762 -10.330 6.266 1.00 2.31 O ATOM 2019 CB GLU A 134 -11.258 -12.054 4.770 1.00 1.54 C ATOM 2020 CG GLU A 134 -12.488 -12.202 5.667 1.00 2.15 C ATOM 2021 CD GLU A 134 -12.431 -13.506 6.465 1.00 2.19 C ATOM 2022 OE1 GLU A 134 -11.826 -13.475 7.560 1.00 2.93 O ATOM 2023 OE2 GLU A 134 -12.992 -14.504 5.965 1.00 2.60 O ATOM 0 H GLU A 134 -11.052 -10.057 2.270 1.00 1.36 H new ATOM 0 HA GLU A 134 -12.094 -10.166 4.237 1.00 1.31 H new ATOM 0 HB2 GLU A 134 -11.348 -12.718 3.910 1.00 1.54 H new ATOM 0 HB3 GLU A 134 -10.366 -12.360 5.317 1.00 1.54 H new ATOM 0 HG2 GLU A 134 -12.548 -11.355 6.351 1.00 2.15 H new ATOM 0 HG3 GLU A 134 -13.391 -12.184 5.057 1.00 2.15 H new ATOM 2030 N GLY A 135 -10.134 -8.510 4.976 1.00 1.28 N ATOM 2031 CA GLY A 135 -9.415 -7.602 5.854 1.00 1.27 C ATOM 2032 C GLY A 135 -9.936 -6.171 5.709 1.00 1.08 C ATOM 2033 O GLY A 135 -9.204 -5.213 5.949 1.00 1.33 O ATOM 0 H GLY A 135 -10.516 -8.077 4.135 1.00 1.28 H new ATOM 0 HA2 GLY A 135 -9.523 -7.929 6.888 1.00 1.27 H new ATOM 0 HA3 GLY A 135 -8.351 -7.631 5.620 1.00 1.27 H new ATOM 2037 N MET A 136 -11.197 -6.072 5.316 1.00 0.91 N ATOM 2038 CA MET A 136 -11.796 -4.777 5.042 1.00 1.00 C ATOM 2039 C MET A 136 -12.165 -4.057 6.341 1.00 0.78 C ATOM 2040 O MET A 136 -12.203 -2.829 6.386 1.00 0.83 O ATOM 2041 CB MET A 136 -13.051 -4.965 4.188 1.00 1.24 C ATOM 2042 CG MET A 136 -12.685 -5.310 2.743 1.00 1.19 C ATOM 2043 SD MET A 136 -13.043 -3.925 1.675 1.00 1.57 S ATOM 2044 CE MET A 136 -11.735 -2.812 2.161 1.00 1.11 C ATOM 0 H MET A 136 -11.821 -6.868 5.181 1.00 0.91 H new ATOM 0 HA MET A 136 -11.069 -4.168 4.505 1.00 1.00 H new ATOM 0 HB2 MET A 136 -13.667 -5.759 4.610 1.00 1.24 H new ATOM 0 HB3 MET A 136 -13.648 -4.054 4.208 1.00 1.24 H new ATOM 0 HG2 MET A 136 -11.627 -5.566 2.678 1.00 1.19 H new ATOM 0 HG3 MET A 136 -13.245 -6.186 2.416 1.00 1.19 H new ATOM 0 HE1 MET A 136 -11.617 -2.036 1.404 1.00 1.11 H new ATOM 0 HE2 MET A 136 -11.985 -2.352 3.117 1.00 1.11 H new ATOM 0 HE3 MET A 136 -10.802 -3.367 2.259 1.00 1.11 H new ATOM 2054 N ASN A 137 -12.428 -4.854 7.367 1.00 0.62 N ATOM 2055 CA ASN A 137 -12.880 -4.313 8.638 1.00 0.61 C ATOM 2056 C ASN A 137 -11.748 -3.501 9.272 1.00 0.52 C ATOM 2057 O ASN A 137 -11.989 -2.444 9.854 1.00 0.55 O ATOM 2058 CB ASN A 137 -13.260 -5.433 9.608 1.00 0.71 C ATOM 2059 CG ASN A 137 -12.122 -6.446 9.750 1.00 2.14 C ATOM 2060 OD1 ASN A 137 -11.431 -6.779 8.802 1.00 3.54 O ATOM 2061 ND2 ASN A 137 -11.966 -6.915 10.985 1.00 2.81 N ATOM 0 H ASN A 137 -12.337 -5.870 7.344 1.00 0.62 H new ATOM 0 HA ASN A 137 -13.753 -3.688 8.449 1.00 0.61 H new ATOM 0 HB2 ASN A 137 -13.498 -5.009 10.584 1.00 0.71 H new ATOM 0 HB3 ASN A 137 -14.158 -5.938 9.252 1.00 0.71 H new ATOM 0 HD21 ASN A 137 -11.233 -7.596 11.183 1.00 2.81 H new ATOM 0 HD22 ASN A 137 -12.580 -6.594 11.734 1.00 2.81 H new ATOM 2068 N ILE A 138 -10.539 -4.026 9.137 1.00 0.53 N ATOM 2069 CA ILE A 138 -9.373 -3.371 9.706 1.00 0.61 C ATOM 2070 C ILE A 138 -9.028 -2.136 8.871 1.00 0.70 C ATOM 2071 O ILE A 138 -8.610 -1.114 9.413 1.00 0.80 O ATOM 2072 CB ILE A 138 -8.216 -4.364 9.842 1.00 0.66 C ATOM 2073 CG1 ILE A 138 -8.612 -5.551 10.721 1.00 0.82 C ATOM 2074 CG2 ILE A 138 -6.954 -3.667 10.354 1.00 0.71 C ATOM 2075 CD1 ILE A 138 -9.119 -5.079 12.085 1.00 1.13 C ATOM 0 H ILE A 138 -10.342 -4.896 8.643 1.00 0.53 H new ATOM 0 HA ILE A 138 -9.586 -3.023 10.717 1.00 0.61 H new ATOM 0 HB ILE A 138 -7.987 -4.760 8.852 1.00 0.66 H new ATOM 0 HG12 ILE A 138 -9.387 -6.134 10.223 1.00 0.82 H new ATOM 0 HG13 ILE A 138 -7.754 -6.210 10.856 1.00 0.82 H new ATOM 0 HG21 ILE A 138 -6.147 -4.394 10.442 1.00 0.71 H new ATOM 0 HG22 ILE A 138 -6.662 -2.883 9.655 1.00 0.71 H new ATOM 0 HG23 ILE A 138 -7.153 -3.226 11.331 1.00 0.71 H new ATOM 0 HD11 ILE A 138 -9.394 -5.943 12.690 1.00 1.13 H new ATOM 0 HD12 ILE A 138 -8.334 -4.517 12.591 1.00 1.13 H new ATOM 0 HD13 ILE A 138 -9.991 -4.440 11.948 1.00 1.13 H new ATOM 2087 N VAL A 139 -9.217 -2.271 7.567 1.00 0.71 N ATOM 2088 CA VAL A 139 -8.957 -1.169 6.655 1.00 0.84 C ATOM 2089 C VAL A 139 -9.939 -0.032 6.943 1.00 0.81 C ATOM 2090 O VAL A 139 -9.555 1.137 6.955 1.00 0.90 O ATOM 2091 CB VAL A 139 -9.019 -1.662 5.209 1.00 0.93 C ATOM 2092 CG1 VAL A 139 -9.085 -0.486 4.231 1.00 1.15 C ATOM 2093 CG2 VAL A 139 -7.834 -2.574 4.889 1.00 0.98 C ATOM 0 H VAL A 139 -9.547 -3.126 7.120 1.00 0.71 H new ATOM 0 HA VAL A 139 -7.952 -0.776 6.807 1.00 0.84 H new ATOM 0 HB VAL A 139 -9.932 -2.246 5.094 1.00 0.93 H new ATOM 0 HG11 VAL A 139 -9.128 -0.864 3.210 1.00 1.15 H new ATOM 0 HG12 VAL A 139 -9.976 0.108 4.436 1.00 1.15 H new ATOM 0 HG13 VAL A 139 -8.198 0.136 4.350 1.00 1.15 H new ATOM 0 HG21 VAL A 139 -7.903 -2.910 3.854 1.00 0.98 H new ATOM 0 HG22 VAL A 139 -6.903 -2.025 5.031 1.00 0.98 H new ATOM 0 HG23 VAL A 139 -7.850 -3.438 5.553 1.00 0.98 H new ATOM 2103 N GLU A 140 -11.187 -0.413 7.169 1.00 0.74 N ATOM 2104 CA GLU A 140 -12.231 0.561 7.439 1.00 0.77 C ATOM 2105 C GLU A 140 -12.012 1.206 8.810 1.00 0.77 C ATOM 2106 O GLU A 140 -12.265 2.396 8.986 1.00 0.83 O ATOM 2107 CB GLU A 140 -13.617 -0.082 7.350 1.00 0.79 C ATOM 2108 CG GLU A 140 -14.674 0.950 6.952 1.00 0.89 C ATOM 2109 CD GLU A 140 -16.084 0.432 7.245 1.00 2.11 C ATOM 2110 OE1 GLU A 140 -16.513 -0.489 6.517 1.00 3.28 O ATOM 2111 OE2 GLU A 140 -16.700 0.968 8.191 1.00 3.01 O ATOM 0 H GLU A 140 -11.499 -1.384 7.171 1.00 0.74 H new ATOM 0 HA GLU A 140 -12.180 1.341 6.679 1.00 0.77 H new ATOM 0 HB2 GLU A 140 -13.600 -0.891 6.620 1.00 0.79 H new ATOM 0 HB3 GLU A 140 -13.879 -0.525 8.311 1.00 0.79 H new ATOM 0 HG2 GLU A 140 -14.504 1.879 7.496 1.00 0.89 H new ATOM 0 HG3 GLU A 140 -14.581 1.181 5.891 1.00 0.89 H new ATOM 2118 N ALA A 141 -11.544 0.391 9.744 1.00 0.75 N ATOM 2119 CA ALA A 141 -11.322 0.858 11.101 1.00 0.79 C ATOM 2120 C ALA A 141 -10.379 2.062 11.074 1.00 0.82 C ATOM 2121 O ALA A 141 -10.713 3.129 11.587 1.00 0.99 O ATOM 2122 CB ALA A 141 -10.777 -0.289 11.954 1.00 0.86 C ATOM 0 H ALA A 141 -11.313 -0.590 9.587 1.00 0.75 H new ATOM 0 HA ALA A 141 -12.260 1.183 11.552 1.00 0.79 H new ATOM 0 HB1 ALA A 141 -10.611 0.062 12.972 1.00 0.86 H new ATOM 0 HB2 ALA A 141 -11.497 -1.108 11.965 1.00 0.86 H new ATOM 0 HB3 ALA A 141 -9.835 -0.640 11.533 1.00 0.86 H new ATOM 2128 N MET A 142 -9.219 1.851 10.470 1.00 0.77 N ATOM 2129 CA MET A 142 -8.189 2.877 10.446 1.00 0.84 C ATOM 2130 C MET A 142 -8.597 4.042 9.540 1.00 0.87 C ATOM 2131 O MET A 142 -8.057 5.141 9.656 1.00 1.04 O ATOM 2132 CB MET A 142 -6.877 2.273 9.942 1.00 0.92 C ATOM 2133 CG MET A 142 -6.989 1.871 8.470 1.00 1.83 C ATOM 2134 SD MET A 142 -5.375 1.468 7.823 1.00 1.67 S ATOM 2135 CE MET A 142 -5.222 -0.215 8.396 1.00 2.14 C ATOM 0 H MET A 142 -8.969 0.985 9.993 1.00 0.77 H new ATOM 0 HA MET A 142 -8.058 3.257 11.459 1.00 0.84 H new ATOM 0 HB2 MET A 142 -6.069 2.994 10.065 1.00 0.92 H new ATOM 0 HB3 MET A 142 -6.620 1.401 10.543 1.00 0.92 H new ATOM 0 HG2 MET A 142 -7.655 1.014 8.368 1.00 1.83 H new ATOM 0 HG3 MET A 142 -7.428 2.686 7.894 1.00 1.83 H new ATOM 0 HE1 MET A 142 -4.248 -0.611 8.107 1.00 2.14 H new ATOM 0 HE2 MET A 142 -5.316 -0.240 9.482 1.00 2.14 H new ATOM 0 HE3 MET A 142 -6.008 -0.824 7.950 1.00 2.14 H new ATOM 2145 N GLU A 143 -9.546 3.759 8.659 1.00 0.83 N ATOM 2146 CA GLU A 143 -10.101 4.793 7.802 1.00 0.95 C ATOM 2147 C GLU A 143 -10.995 5.732 8.614 1.00 1.04 C ATOM 2148 O GLU A 143 -10.896 6.952 8.488 1.00 1.05 O ATOM 2149 CB GLU A 143 -10.872 4.179 6.632 1.00 1.03 C ATOM 2150 CG GLU A 143 -10.734 5.039 5.374 1.00 1.63 C ATOM 2151 CD GLU A 143 -11.718 4.587 4.291 1.00 1.69 C ATOM 2152 OE1 GLU A 143 -12.250 3.467 4.440 1.00 2.28 O ATOM 2153 OE2 GLU A 143 -11.914 5.374 3.340 1.00 2.46 O ATOM 0 H GLU A 143 -9.944 2.830 8.520 1.00 0.83 H new ATOM 0 HA GLU A 143 -9.278 5.375 7.387 1.00 0.95 H new ATOM 0 HB2 GLU A 143 -10.499 3.174 6.433 1.00 1.03 H new ATOM 0 HB3 GLU A 143 -11.925 4.081 6.897 1.00 1.03 H new ATOM 0 HG2 GLU A 143 -10.916 6.085 5.622 1.00 1.63 H new ATOM 0 HG3 GLU A 143 -9.714 4.974 4.994 1.00 1.63 H new ATOM 2160 N ARG A 144 -11.847 5.129 9.430 1.00 1.19 N ATOM 2161 CA ARG A 144 -12.776 5.895 10.242 1.00 1.34 C ATOM 2162 C ARG A 144 -12.014 6.724 11.279 1.00 1.29 C ATOM 2163 O ARG A 144 -12.505 7.755 11.737 1.00 1.38 O ATOM 2164 CB ARG A 144 -13.766 4.977 10.962 1.00 1.57 C ATOM 2165 CG ARG A 144 -14.889 5.786 11.613 1.00 2.10 C ATOM 2166 CD ARG A 144 -15.962 4.863 12.196 1.00 2.64 C ATOM 2167 NE ARG A 144 -16.917 5.647 13.011 1.00 3.59 N ATOM 2168 CZ ARG A 144 -16.709 5.986 14.291 1.00 4.65 C ATOM 2169 NH1 ARG A 144 -15.534 5.717 14.873 1.00 5.11 N ATOM 2170 NH2 ARG A 144 -17.679 6.594 14.988 1.00 6.04 N ATOM 0 H ARG A 144 -11.913 4.118 9.546 1.00 1.19 H new ATOM 0 HA ARG A 144 -13.330 6.557 9.577 1.00 1.34 H new ATOM 0 HB2 ARG A 144 -14.189 4.265 10.253 1.00 1.57 H new ATOM 0 HB3 ARG A 144 -13.243 4.397 11.722 1.00 1.57 H new ATOM 0 HG2 ARG A 144 -14.478 6.416 12.402 1.00 2.10 H new ATOM 0 HG3 ARG A 144 -15.338 6.451 10.875 1.00 2.10 H new ATOM 0 HD2 ARG A 144 -16.491 4.353 11.391 1.00 2.64 H new ATOM 0 HD3 ARG A 144 -15.496 4.092 12.809 1.00 2.64 H new ATOM 0 HE ARG A 144 -17.787 5.948 12.572 1.00 3.59 H new ATOM 0 HH11 ARG A 144 -14.796 5.254 14.342 1.00 5.11 H new ATOM 0 HH12 ARG A 144 -15.376 5.975 15.847 1.00 5.11 H new ATOM 0 HH21 ARG A 144 -18.574 6.798 14.544 1.00 6.04 H new ATOM 0 HH22 ARG A 144 -17.522 6.852 15.962 1.00 6.04 H new ATOM 2184 N PHE A 145 -10.828 6.242 11.619 1.00 1.26 N ATOM 2185 CA PHE A 145 -10.003 6.913 12.610 1.00 1.30 C ATOM 2186 C PHE A 145 -9.170 8.024 11.970 1.00 1.20 C ATOM 2187 O PHE A 145 -8.353 8.656 12.638 1.00 1.27 O ATOM 2188 CB PHE A 145 -9.063 5.859 13.198 1.00 1.40 C ATOM 2189 CG PHE A 145 -9.675 5.047 14.341 1.00 1.70 C ATOM 2190 CD1 PHE A 145 -10.264 5.682 15.388 1.00 2.44 C ATOM 2191 CD2 PHE A 145 -9.629 3.687 14.310 1.00 2.54 C ATOM 2192 CE1 PHE A 145 -10.831 4.929 16.449 1.00 2.79 C ATOM 2193 CE2 PHE A 145 -10.196 2.933 15.370 1.00 2.86 C ATOM 2194 CZ PHE A 145 -10.785 3.570 16.418 1.00 2.52 C ATOM 0 H PHE A 145 -10.418 5.395 11.226 1.00 1.26 H new ATOM 0 HA PHE A 145 -10.635 7.366 13.374 1.00 1.30 H new ATOM 0 HB2 PHE A 145 -8.757 5.177 12.405 1.00 1.40 H new ATOM 0 HB3 PHE A 145 -8.161 6.353 13.559 1.00 1.40 H new ATOM 0 HD1 PHE A 145 -10.301 6.761 15.413 1.00 2.44 H new ATOM 0 HD2 PHE A 145 -9.161 3.182 13.478 1.00 2.54 H new ATOM 0 HE1 PHE A 145 -11.299 5.435 17.281 1.00 2.79 H new ATOM 0 HE2 PHE A 145 -10.160 1.854 15.345 1.00 2.86 H new ATOM 0 HZ PHE A 145 -11.216 2.997 17.225 1.00 2.52 H new ATOM 2204 N GLY A 146 -9.404 8.227 10.682 1.00 1.21 N ATOM 2205 CA GLY A 146 -8.723 9.286 9.955 1.00 1.15 C ATOM 2206 C GLY A 146 -9.240 10.662 10.378 1.00 1.02 C ATOM 2207 O GLY A 146 -9.657 10.848 11.521 1.00 1.57 O ATOM 0 H GLY A 146 -10.056 7.676 10.123 1.00 1.21 H new ATOM 0 HA2 GLY A 146 -7.650 9.225 10.137 1.00 1.15 H new ATOM 0 HA3 GLY A 146 -8.873 9.151 8.884 1.00 1.15 H new ATOM 2211 N SER A 147 -9.197 11.592 9.435 1.00 1.00 N ATOM 2212 CA SER A 147 -9.602 12.959 9.712 1.00 1.15 C ATOM 2213 C SER A 147 -9.621 13.771 8.416 1.00 1.37 C ATOM 2214 O SER A 147 -10.449 14.666 8.251 1.00 3.01 O ATOM 2215 CB SER A 147 -8.672 13.612 10.735 1.00 1.65 C ATOM 2216 OG SER A 147 -9.105 13.383 12.073 1.00 2.99 O ATOM 0 H SER A 147 -8.887 11.425 8.478 1.00 1.00 H new ATOM 0 HA SER A 147 -10.606 12.940 10.136 1.00 1.15 H new ATOM 0 HB2 SER A 147 -7.662 13.221 10.609 1.00 1.65 H new ATOM 0 HB3 SER A 147 -8.624 14.685 10.548 1.00 1.65 H new ATOM 0 HG SER A 147 -9.179 12.419 12.232 1.00 2.99 H new ATOM 2222 N ARG A 148 -8.697 13.432 7.529 1.00 1.77 N ATOM 2223 CA ARG A 148 -8.742 13.942 6.169 1.00 2.37 C ATOM 2224 C ARG A 148 -7.631 14.971 5.951 1.00 2.14 C ATOM 2225 O ARG A 148 -7.099 15.089 4.849 1.00 2.48 O ATOM 2226 CB ARG A 148 -10.095 14.591 5.869 1.00 3.04 C ATOM 2227 CG ARG A 148 -10.280 14.803 4.365 1.00 4.38 C ATOM 2228 CD ARG A 148 -11.741 15.105 4.028 1.00 5.28 C ATOM 2229 NE ARG A 148 -12.545 13.865 4.105 1.00 6.66 N ATOM 2230 CZ ARG A 148 -13.847 13.792 3.793 1.00 7.73 C ATOM 2231 NH1 ARG A 148 -14.519 14.903 3.464 1.00 7.72 N ATOM 2232 NH2 ARG A 148 -14.475 12.609 3.811 1.00 9.28 N ATOM 0 H ARG A 148 -7.913 12.810 7.726 1.00 1.77 H new ATOM 0 HA ARG A 148 -8.598 13.099 5.493 1.00 2.37 H new ATOM 0 HB2 ARG A 148 -10.898 13.961 6.252 1.00 3.04 H new ATOM 0 HB3 ARG A 148 -10.166 15.548 6.386 1.00 3.04 H new ATOM 0 HG2 ARG A 148 -9.649 15.626 4.030 1.00 4.38 H new ATOM 0 HG3 ARG A 148 -9.956 13.913 3.826 1.00 4.38 H new ATOM 0 HD2 ARG A 148 -12.136 15.848 4.720 1.00 5.28 H new ATOM 0 HD3 ARG A 148 -11.811 15.532 3.028 1.00 5.28 H new ATOM 0 HE ARG A 148 -12.079 13.012 4.415 1.00 6.66 H new ATOM 0 HH11 ARG A 148 -14.040 15.804 3.451 1.00 7.72 H new ATOM 0 HH12 ARG A 148 -15.509 14.848 3.226 1.00 7.72 H new ATOM 0 HH21 ARG A 148 -13.963 11.763 4.062 1.00 9.28 H new ATOM 0 HH22 ARG A 148 -15.465 12.554 3.574 1.00 9.28 H new ATOM 2246 N ASN A 149 -7.315 15.689 7.018 1.00 1.87 N ATOM 2247 CA ASN A 149 -6.249 16.674 6.968 1.00 2.08 C ATOM 2248 C ASN A 149 -4.908 15.960 6.783 1.00 1.92 C ATOM 2249 O ASN A 149 -3.945 16.555 6.304 1.00 2.36 O ATOM 2250 CB ASN A 149 -6.180 17.478 8.268 1.00 2.42 C ATOM 2251 CG ASN A 149 -5.810 16.580 9.450 1.00 2.25 C ATOM 2252 OD1 ASN A 149 -4.702 16.081 9.560 1.00 2.76 O ATOM 2253 ND2 ASN A 149 -6.797 16.401 10.323 1.00 2.89 N ATOM 0 H ASN A 149 -7.779 15.608 7.923 1.00 1.87 H new ATOM 0 HA ASN A 149 -6.453 17.349 6.137 1.00 2.08 H new ATOM 0 HB2 ASN A 149 -5.443 18.275 8.168 1.00 2.42 H new ATOM 0 HB3 ASN A 149 -7.142 17.955 8.456 1.00 2.42 H new ATOM 0 HD21 ASN A 149 -6.650 15.816 11.146 1.00 2.89 H new ATOM 0 HD22 ASN A 149 -7.701 16.849 10.170 1.00 2.89 H new ATOM 2260 N GLY A 150 -4.890 14.694 7.173 1.00 1.57 N ATOM 2261 CA GLY A 150 -3.692 13.884 7.031 1.00 1.86 C ATOM 2262 C GLY A 150 -3.209 13.376 8.390 1.00 1.76 C ATOM 2263 O GLY A 150 -2.037 13.528 8.733 1.00 2.72 O ATOM 0 H GLY A 150 -5.686 14.209 7.587 1.00 1.57 H new ATOM 0 HA2 GLY A 150 -3.896 13.038 6.374 1.00 1.86 H new ATOM 0 HA3 GLY A 150 -2.905 14.472 6.558 1.00 1.86 H new ATOM 2267 N LYS A 151 -4.135 12.785 9.130 1.00 1.47 N ATOM 2268 CA LYS A 151 -3.797 12.169 10.402 1.00 1.93 C ATOM 2269 C LYS A 151 -4.809 11.064 10.713 1.00 1.61 C ATOM 2270 O LYS A 151 -5.943 11.103 10.238 1.00 2.46 O ATOM 2271 CB LYS A 151 -3.690 13.230 11.499 1.00 3.32 C ATOM 2272 CG LYS A 151 -2.227 13.573 11.787 1.00 3.08 C ATOM 2273 CD LYS A 151 -2.080 14.238 13.157 1.00 4.65 C ATOM 2274 CE LYS A 151 -1.984 13.190 14.269 1.00 5.70 C ATOM 2275 NZ LYS A 151 -0.604 12.660 14.361 1.00 5.95 N ATOM 0 H LYS A 151 -5.120 12.719 8.873 1.00 1.47 H new ATOM 0 HA LYS A 151 -2.815 11.698 10.348 1.00 1.93 H new ATOM 0 HB2 LYS A 151 -4.225 14.129 11.194 1.00 3.32 H new ATOM 0 HB3 LYS A 151 -4.168 12.868 12.409 1.00 3.32 H new ATOM 0 HG2 LYS A 151 -1.623 12.666 11.752 1.00 3.08 H new ATOM 0 HG3 LYS A 151 -1.847 14.239 11.013 1.00 3.08 H new ATOM 0 HD2 LYS A 151 -1.189 14.866 13.167 1.00 4.65 H new ATOM 0 HD3 LYS A 151 -2.933 14.892 13.341 1.00 4.65 H new ATOM 0 HE2 LYS A 151 -2.274 13.633 15.221 1.00 5.70 H new ATOM 0 HE3 LYS A 151 -2.681 12.376 14.071 1.00 5.70 H new ATOM 0 HZ1 LYS A 151 -0.620 11.627 14.244 1.00 5.95 H new ATOM 0 HZ2 LYS A 151 -0.019 13.084 13.613 1.00 5.95 H new ATOM 0 HZ3 LYS A 151 -0.202 12.897 15.291 1.00 5.95 H new ATOM 2289 N THR A 152 -4.361 10.103 11.509 1.00 1.54 N ATOM 2290 CA THR A 152 -5.201 8.971 11.860 1.00 1.87 C ATOM 2291 C THR A 152 -4.830 8.441 13.246 1.00 2.98 C ATOM 2292 O THR A 152 -3.652 8.246 13.545 1.00 4.01 O ATOM 2293 CB THR A 152 -5.069 7.922 10.753 1.00 2.56 C ATOM 2294 OG1 THR A 152 -4.979 6.686 11.454 1.00 3.96 O ATOM 2295 CG2 THR A 152 -3.737 8.025 10.006 1.00 2.03 C ATOM 0 H THR A 152 -3.428 10.086 11.920 1.00 1.54 H new ATOM 0 HA THR A 152 -6.249 9.263 11.928 1.00 1.87 H new ATOM 0 HB THR A 152 -5.892 8.034 10.047 1.00 2.56 H new ATOM 0 HG1 THR A 152 -5.211 5.950 10.850 1.00 3.96 H new ATOM 0 HG21 THR A 152 -3.694 7.259 9.232 1.00 2.03 H new ATOM 0 HG22 THR A 152 -3.652 9.010 9.547 1.00 2.03 H new ATOM 0 HG23 THR A 152 -2.915 7.879 10.707 1.00 2.03 H new ATOM 2303 N SER A 153 -5.856 8.222 14.055 1.00 3.13 N ATOM 2304 CA SER A 153 -5.658 7.645 15.375 1.00 4.37 C ATOM 2305 C SER A 153 -4.213 7.858 15.828 1.00 3.50 C ATOM 2306 O SER A 153 -3.468 6.897 16.010 1.00 4.98 O ATOM 2307 CB SER A 153 -6.002 6.154 15.380 1.00 6.09 C ATOM 2308 OG SER A 153 -5.433 5.471 14.266 1.00 6.86 O ATOM 0 H SER A 153 -6.826 8.433 13.823 1.00 3.13 H new ATOM 0 HA SER A 153 -6.328 8.148 16.073 1.00 4.37 H new ATOM 0 HB2 SER A 153 -5.642 5.702 16.304 1.00 6.09 H new ATOM 0 HB3 SER A 153 -7.085 6.032 15.366 1.00 6.09 H new ATOM 0 HG SER A 153 -5.674 4.522 14.306 1.00 6.86 H new ATOM 2314 N LYS A 154 -3.860 9.124 15.998 1.00 1.62 N ATOM 2315 CA LYS A 154 -2.576 9.470 16.583 1.00 1.15 C ATOM 2316 C LYS A 154 -1.464 9.168 15.576 1.00 1.35 C ATOM 2317 O LYS A 154 -0.967 10.072 14.904 1.00 1.72 O ATOM 2318 CB LYS A 154 -2.394 8.770 17.929 1.00 1.47 C ATOM 2319 CG LYS A 154 -1.246 9.397 18.724 1.00 3.56 C ATOM 2320 CD LYS A 154 -0.883 8.538 19.936 1.00 4.67 C ATOM 2321 CE LYS A 154 -0.249 9.386 21.040 1.00 6.22 C ATOM 2322 NZ LYS A 154 1.080 9.880 20.616 1.00 7.83 N ATOM 0 H LYS A 154 -4.441 9.922 15.741 1.00 1.62 H new ATOM 0 HA LYS A 154 -2.531 10.538 16.798 1.00 1.15 H new ATOM 0 HB2 LYS A 154 -3.317 8.835 18.504 1.00 1.47 H new ATOM 0 HB3 LYS A 154 -2.193 7.711 17.768 1.00 1.47 H new ATOM 0 HG2 LYS A 154 -0.374 9.511 18.081 1.00 3.56 H new ATOM 0 HG3 LYS A 154 -1.531 10.396 19.054 1.00 3.56 H new ATOM 0 HD2 LYS A 154 -1.777 8.047 20.319 1.00 4.67 H new ATOM 0 HD3 LYS A 154 -0.191 7.751 19.634 1.00 4.67 H new ATOM 0 HE2 LYS A 154 -0.898 10.229 21.277 1.00 6.22 H new ATOM 0 HE3 LYS A 154 -0.150 8.794 21.950 1.00 6.22 H new ATOM 0 HZ1 LYS A 154 1.511 10.425 21.390 1.00 7.83 H new ATOM 0 HZ2 LYS A 154 1.691 9.073 20.379 1.00 7.83 H new ATOM 0 HZ3 LYS A 154 0.973 10.490 19.780 1.00 7.83 H new ATOM 2336 N LYS A 155 -1.107 7.895 15.502 1.00 1.31 N ATOM 2337 CA LYS A 155 0.012 7.479 14.675 1.00 1.59 C ATOM 2338 C LYS A 155 -0.262 6.079 14.119 1.00 1.57 C ATOM 2339 O LYS A 155 -0.788 5.220 14.825 1.00 1.73 O ATOM 2340 CB LYS A 155 1.325 7.585 15.454 1.00 1.88 C ATOM 2341 CG LYS A 155 2.044 8.897 15.140 1.00 2.88 C ATOM 2342 CD LYS A 155 3.404 8.957 15.838 1.00 3.18 C ATOM 2343 CE LYS A 155 4.232 10.140 15.327 1.00 4.56 C ATOM 2344 NZ LYS A 155 5.553 10.173 15.992 1.00 5.18 N ATOM 0 H LYS A 155 -1.573 7.138 16.001 1.00 1.31 H new ATOM 0 HA LYS A 155 0.121 8.147 13.820 1.00 1.59 H new ATOM 0 HB2 LYS A 155 1.123 7.524 16.523 1.00 1.88 H new ATOM 0 HB3 LYS A 155 1.970 6.743 15.202 1.00 1.88 H new ATOM 0 HG2 LYS A 155 2.180 8.993 14.063 1.00 2.88 H new ATOM 0 HG3 LYS A 155 1.429 9.738 15.460 1.00 2.88 H new ATOM 0 HD2 LYS A 155 3.260 9.047 16.915 1.00 3.18 H new ATOM 0 HD3 LYS A 155 3.946 8.027 15.666 1.00 3.18 H new ATOM 0 HE2 LYS A 155 4.363 10.060 14.248 1.00 4.56 H new ATOM 0 HE3 LYS A 155 3.700 11.072 15.516 1.00 4.56 H new ATOM 0 HZ1 LYS A 155 6.102 10.981 15.634 1.00 5.18 H new ATOM 0 HZ2 LYS A 155 5.422 10.271 17.019 1.00 5.18 H new ATOM 0 HZ3 LYS A 155 6.065 9.290 15.791 1.00 5.18 H new ATOM 2358 N ILE A 156 0.107 5.894 12.861 1.00 1.54 N ATOM 2359 CA ILE A 156 -0.074 4.607 12.210 1.00 1.55 C ATOM 2360 C ILE A 156 1.286 4.078 11.749 1.00 1.60 C ATOM 2361 O ILE A 156 2.039 4.789 11.084 1.00 1.72 O ATOM 2362 CB ILE A 156 -1.104 4.715 11.085 1.00 1.59 C ATOM 2363 CG1 ILE A 156 -2.472 5.129 11.632 1.00 1.66 C ATOM 2364 CG2 ILE A 156 -1.178 3.415 10.281 1.00 1.79 C ATOM 2365 CD1 ILE A 156 -3.108 3.993 12.436 1.00 1.35 C ATOM 0 H ILE A 156 0.530 6.613 12.275 1.00 1.54 H new ATOM 0 HA ILE A 156 -0.479 3.879 12.913 1.00 1.55 H new ATOM 0 HB ILE A 156 -0.780 5.499 10.400 1.00 1.59 H new ATOM 0 HG12 ILE A 156 -2.363 6.010 12.264 1.00 1.66 H new ATOM 0 HG13 ILE A 156 -3.128 5.407 10.807 1.00 1.66 H new ATOM 0 HG21 ILE A 156 -1.918 3.520 9.488 1.00 1.79 H new ATOM 0 HG22 ILE A 156 -0.203 3.203 9.842 1.00 1.79 H new ATOM 0 HG23 ILE A 156 -1.466 2.596 10.940 1.00 1.79 H new ATOM 0 HD11 ILE A 156 -4.079 4.314 12.813 1.00 1.35 H new ATOM 0 HD12 ILE A 156 -3.238 3.121 11.794 1.00 1.35 H new ATOM 0 HD13 ILE A 156 -2.461 3.734 13.274 1.00 1.35 H new ATOM 2377 N THR A 157 1.560 2.837 12.122 1.00 1.63 N ATOM 2378 CA THR A 157 2.828 2.215 11.780 1.00 1.71 C ATOM 2379 C THR A 157 2.646 0.711 11.571 1.00 1.50 C ATOM 2380 O THR A 157 1.830 0.081 12.243 1.00 1.32 O ATOM 2381 CB THR A 157 3.834 2.558 12.880 1.00 1.95 C ATOM 2382 OG1 THR A 157 3.058 2.552 14.075 1.00 2.00 O ATOM 2383 CG2 THR A 157 4.347 3.997 12.777 1.00 2.50 C ATOM 0 H THR A 157 0.925 2.245 12.658 1.00 1.63 H new ATOM 0 HA THR A 157 3.214 2.598 10.835 1.00 1.71 H new ATOM 0 HB THR A 157 4.676 1.867 12.829 1.00 1.95 H new ATOM 0 HG1 THR A 157 2.455 1.780 14.069 1.00 2.00 H new ATOM 0 HG21 THR A 157 5.058 4.188 13.581 1.00 2.50 H new ATOM 0 HG22 THR A 157 4.840 4.140 11.815 1.00 2.50 H new ATOM 0 HG23 THR A 157 3.509 4.689 12.861 1.00 2.50 H new ATOM 2391 N ILE A 158 3.419 0.177 10.637 1.00 1.58 N ATOM 2392 CA ILE A 158 3.509 -1.264 10.473 1.00 1.39 C ATOM 2393 C ILE A 158 4.361 -1.849 11.602 1.00 1.44 C ATOM 2394 O ILE A 158 5.393 -1.286 11.961 1.00 1.52 O ATOM 2395 CB ILE A 158 4.019 -1.614 9.074 1.00 1.41 C ATOM 2396 CG1 ILE A 158 2.893 -1.522 8.041 1.00 1.60 C ATOM 2397 CG2 ILE A 158 4.696 -2.985 9.064 1.00 1.40 C ATOM 2398 CD1 ILE A 158 3.435 -1.700 6.622 1.00 1.92 C ATOM 0 H ILE A 158 3.989 0.717 9.986 1.00 1.58 H new ATOM 0 HA ILE A 158 2.521 -1.718 10.549 1.00 1.39 H new ATOM 0 HB ILE A 158 4.775 -0.881 8.793 1.00 1.41 H new ATOM 0 HG12 ILE A 158 2.143 -2.286 8.246 1.00 1.60 H new ATOM 0 HG13 ILE A 158 2.395 -0.556 8.125 1.00 1.60 H new ATOM 0 HG21 ILE A 158 5.049 -3.209 8.057 1.00 1.40 H new ATOM 0 HG22 ILE A 158 5.541 -2.978 9.752 1.00 1.40 H new ATOM 0 HG23 ILE A 158 3.981 -3.746 9.375 1.00 1.40 H new ATOM 0 HD11 ILE A 158 2.615 -1.630 5.908 1.00 1.92 H new ATOM 0 HD12 ILE A 158 4.167 -0.920 6.411 1.00 1.92 H new ATOM 0 HD13 ILE A 158 3.911 -2.677 6.534 1.00 1.92 H new ATOM 2410 N ALA A 159 3.895 -2.971 12.130 1.00 1.53 N ATOM 2411 CA ALA A 159 4.663 -3.706 13.122 1.00 1.72 C ATOM 2412 C ALA A 159 5.522 -4.758 12.417 1.00 1.69 C ATOM 2413 O ALA A 159 6.742 -4.776 12.575 1.00 1.96 O ATOM 2414 CB ALA A 159 3.712 -4.324 14.149 1.00 1.71 C ATOM 0 H ALA A 159 2.996 -3.389 11.890 1.00 1.53 H new ATOM 0 HA ALA A 159 5.335 -3.037 13.660 1.00 1.72 H new ATOM 0 HB1 ALA A 159 4.288 -4.875 14.893 1.00 1.71 H new ATOM 0 HB2 ALA A 159 3.145 -3.534 14.641 1.00 1.71 H new ATOM 0 HB3 ALA A 159 3.025 -5.004 13.646 1.00 1.71 H new ATOM 2420 N ASP A 160 4.851 -5.610 11.654 1.00 1.38 N ATOM 2421 CA ASP A 160 5.537 -6.672 10.937 1.00 1.37 C ATOM 2422 C ASP A 160 4.650 -7.162 9.791 1.00 1.13 C ATOM 2423 O ASP A 160 3.442 -6.932 9.795 1.00 0.94 O ATOM 2424 CB ASP A 160 5.823 -7.861 11.856 1.00 1.41 C ATOM 2425 CG ASP A 160 6.915 -7.623 12.901 1.00 2.63 C ATOM 2426 OD1 ASP A 160 6.557 -7.127 13.992 1.00 3.01 O ATOM 2427 OD2 ASP A 160 8.081 -7.942 12.586 1.00 4.15 O ATOM 0 H ASP A 160 3.841 -5.586 11.517 1.00 1.38 H new ATOM 0 HA ASP A 160 6.479 -6.272 10.561 1.00 1.37 H new ATOM 0 HB2 ASP A 160 4.902 -8.133 12.371 1.00 1.41 H new ATOM 0 HB3 ASP A 160 6.109 -8.715 11.242 1.00 1.41 H new ATOM 2432 N CYS A 161 5.285 -7.828 8.837 1.00 1.24 N ATOM 2433 CA CYS A 161 4.556 -8.428 7.732 1.00 1.10 C ATOM 2434 C CYS A 161 5.178 -9.793 7.432 1.00 1.09 C ATOM 2435 O CYS A 161 6.318 -10.057 7.812 1.00 1.38 O ATOM 2436 CB CYS A 161 4.549 -7.521 6.500 1.00 1.41 C ATOM 2437 SG CYS A 161 4.278 -5.782 7.004 1.00 2.24 S ATOM 0 H CYS A 161 6.295 -7.965 8.806 1.00 1.24 H new ATOM 0 HA CYS A 161 3.511 -8.559 8.011 1.00 1.10 H new ATOM 0 HB2 CYS A 161 5.496 -7.610 5.967 1.00 1.41 H new ATOM 0 HB3 CYS A 161 3.765 -7.835 5.811 1.00 1.41 H new ATOM 0 HG CYS A 161 3.443 -5.217 6.183 1.00 2.24 H new ATOM 2443 N GLY A 162 4.402 -10.626 6.754 1.00 1.01 N ATOM 2444 CA GLY A 162 4.856 -11.963 6.413 1.00 1.21 C ATOM 2445 C GLY A 162 4.018 -12.554 5.278 1.00 1.18 C ATOM 2446 O GLY A 162 2.844 -12.220 5.130 1.00 1.83 O ATOM 0 H GLY A 162 3.461 -10.400 6.432 1.00 1.01 H new ATOM 0 HA2 GLY A 162 5.904 -11.930 6.117 1.00 1.21 H new ATOM 0 HA3 GLY A 162 4.793 -12.607 7.290 1.00 1.21 H new ATOM 2450 N GLN A 163 4.654 -13.422 4.506 1.00 1.18 N ATOM 2451 CA GLN A 163 3.975 -14.083 3.405 1.00 1.17 C ATOM 2452 C GLN A 163 3.570 -15.503 3.806 1.00 1.13 C ATOM 2453 O GLN A 163 4.391 -16.268 4.309 1.00 1.43 O ATOM 2454 CB GLN A 163 4.849 -14.096 2.149 1.00 1.58 C ATOM 2455 CG GLN A 163 4.125 -14.774 0.984 1.00 2.28 C ATOM 2456 CD GLN A 163 4.834 -14.489 -0.342 1.00 2.90 C ATOM 2457 OE1 GLN A 163 6.015 -14.749 -0.513 1.00 2.59 O ATOM 2458 NE2 GLN A 163 4.052 -13.941 -1.267 1.00 4.54 N ATOM 0 H GLN A 163 5.633 -13.683 4.621 1.00 1.18 H new ATOM 0 HA GLN A 163 3.071 -13.520 3.172 1.00 1.17 H new ATOM 0 HB2 GLN A 163 5.111 -13.075 1.874 1.00 1.58 H new ATOM 0 HB3 GLN A 163 5.782 -14.620 2.356 1.00 1.58 H new ATOM 0 HG2 GLN A 163 4.083 -15.850 1.154 1.00 2.28 H new ATOM 0 HG3 GLN A 163 3.096 -14.418 0.934 1.00 2.28 H new ATOM 0 HE21 GLN A 163 3.072 -13.750 -1.058 1.00 4.54 H new ATOM 0 HE22 GLN A 163 4.432 -13.712 -2.186 1.00 4.54 H new ATOM 2467 N LEU A 164 2.304 -15.813 3.567 1.00 1.03 N ATOM 2468 CA LEU A 164 1.775 -17.121 3.915 1.00 1.09 C ATOM 2469 C LEU A 164 2.077 -18.106 2.783 1.00 1.30 C ATOM 2470 O LEU A 164 1.204 -18.413 1.973 1.00 1.71 O ATOM 2471 CB LEU A 164 0.289 -17.022 4.264 1.00 1.05 C ATOM 2472 CG LEU A 164 -0.081 -15.996 5.337 1.00 0.93 C ATOM 2473 CD1 LEU A 164 -1.539 -15.556 5.194 1.00 1.01 C ATOM 2474 CD2 LEU A 164 0.221 -16.533 6.737 1.00 1.02 C ATOM 0 H LEU A 164 1.629 -15.181 3.137 1.00 1.03 H new ATOM 0 HA LEU A 164 2.264 -17.504 4.811 1.00 1.09 H new ATOM 0 HB2 LEU A 164 -0.262 -16.782 3.355 1.00 1.05 H new ATOM 0 HB3 LEU A 164 -0.052 -18.003 4.594 1.00 1.05 H new ATOM 0 HG LEU A 164 0.539 -15.111 5.192 1.00 0.93 H new ATOM 0 HD11 LEU A 164 -1.777 -14.827 5.968 1.00 1.01 H new ATOM 0 HD12 LEU A 164 -1.688 -15.105 4.213 1.00 1.01 H new ATOM 0 HD13 LEU A 164 -2.192 -16.422 5.299 1.00 1.01 H new ATOM 0 HD21 LEU A 164 -0.051 -15.784 7.481 1.00 1.02 H new ATOM 0 HD22 LEU A 164 -0.355 -17.442 6.910 1.00 1.02 H new ATOM 0 HD23 LEU A 164 1.285 -16.756 6.819 1.00 1.02 H new ATOM 2486 N GLU A 165 3.316 -18.573 2.763 1.00 1.55 N ATOM 2487 CA GLU A 165 3.739 -19.529 1.754 1.00 1.87 C ATOM 2488 C GLU A 165 2.987 -20.850 1.925 1.00 2.47 C ATOM 2489 O GLU A 165 2.417 -21.372 0.968 1.00 3.19 O ATOM 2490 CB GLU A 165 5.253 -19.749 1.808 1.00 2.49 C ATOM 2491 CG GLU A 165 6.004 -18.522 1.286 1.00 3.83 C ATOM 2492 CD GLU A 165 5.893 -18.418 -0.237 1.00 4.85 C ATOM 2493 OE1 GLU A 165 6.437 -19.321 -0.909 1.00 5.49 O ATOM 2494 OE2 GLU A 165 5.266 -17.439 -0.694 1.00 5.71 O ATOM 0 H GLU A 165 4.041 -18.307 3.429 1.00 1.55 H new ATOM 0 HA GLU A 165 3.498 -19.121 0.772 1.00 1.87 H new ATOM 0 HB2 GLU A 165 5.558 -19.957 2.834 1.00 2.49 H new ATOM 0 HB3 GLU A 165 5.519 -20.623 1.213 1.00 2.49 H new ATOM 0 HG2 GLU A 165 5.599 -17.621 1.746 1.00 3.83 H new ATOM 0 HG3 GLU A 165 7.053 -18.584 1.574 1.00 3.83 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.925 18.479 -4.789 1.00 1.30 N HETATM 2503 CA DAL B 201 -8.663 17.248 -5.014 1.00 1.11 C HETATM 2504 CB DAL B 201 -10.140 17.470 -4.680 1.00 1.09 C HETATM 2505 C DAL B 201 -8.038 16.127 -4.182 1.00 1.00 C HETATM 2506 O DAL B 201 -7.334 16.389 -3.209 1.00 1.11 O HETATM 0 HB3 DAL B 201 -10.236 17.765 -3.635 1.00 1.09 H new HETATM 0 HB2 DAL B 201 -10.543 18.257 -5.318 1.00 1.09 H new HETATM 0 HB1 DAL B 201 -10.694 16.547 -4.849 1.00 1.09 H new HETATM 0 HA DAL B 201 -8.608 16.952 -6.061 1.00 1.11 H new HETATM 0 H DAL B 201 -8.411 19.312 -4.457 1.00 1.30 H new HETATM 2512 N MLE B 202 -8.321 14.900 -4.595 1.00 0.90 N HETATM 2513 CN MLE B 202 -9.268 14.528 -6.092 1.00 0.95 C HETATM 2514 CA MLE B 202 -7.872 13.737 -3.847 1.00 0.93 C HETATM 2515 CB MLE B 202 -9.067 12.997 -3.241 1.00 1.00 C HETATM 2516 CG MLE B 202 -10.192 13.875 -2.692 1.00 1.04 C HETATM 2517 CD1 MLE B 202 -11.436 13.042 -2.379 1.00 1.84 C HETATM 2518 CD2 MLE B 202 -9.719 14.678 -1.478 1.00 1.24 C HETATM 2519 C MLE B 202 -7.000 12.861 -4.750 1.00 0.91 C HETATM 2520 O MLE B 202 -7.423 11.787 -5.175 1.00 0.91 O HETATM 0 HD23 MLE B 202 -9.395 13.994 -0.693 1.00 1.24 H new HETATM 0 HD22 MLE B 202 -8.886 15.319 -1.768 1.00 1.24 H new HETATM 0 HD21 MLE B 202 -10.538 15.294 -1.107 1.00 1.24 H new HETATM 0 HD13 MLE B 202 -11.786 12.555 -3.289 1.00 1.84 H new HETATM 0 HD12 MLE B 202 -11.189 12.285 -1.634 1.00 1.84 H new HETATM 0 HD11 MLE B 202 -12.220 13.691 -1.990 1.00 1.84 H new HETATM 0 HN3 MLE B 202 -8.655 13.937 -6.773 1.00 0.95 H new HETATM 0 HN2 MLE B 202 -10.162 13.964 -5.826 1.00 0.95 H new HETATM 0 HN1 MLE B 202 -9.558 15.459 -6.580 1.00 0.95 H new HETATM 0 HG MLE B 202 -10.472 14.593 -3.463 1.00 1.04 H new HETATM 0 HB3 MLE B 202 -9.486 12.339 -4.003 1.00 1.00 H new HETATM 0 HB2 MLE B 202 -8.704 12.360 -2.434 1.00 1.00 H new HETATM 0 HA MLE B 202 -7.253 14.042 -3.003 1.00 0.93 H new HETATM 2531 N MLE B 203 -5.799 13.353 -5.015 1.00 0.93 N HETATM 2532 CN MLE B 203 -5.199 14.946 -4.400 1.00 1.01 C HETATM 2533 CA MLE B 203 -4.857 12.620 -5.844 1.00 0.94 C HETATM 2534 CB MLE B 203 -4.192 13.555 -6.855 1.00 0.97 C HETATM 2535 CG MLE B 203 -5.136 14.439 -7.674 1.00 0.92 C HETATM 2536 CD1 MLE B 203 -4.381 15.162 -8.790 1.00 0.95 C HETATM 2537 CD2 MLE B 203 -6.316 13.627 -8.212 1.00 0.86 C HETATM 2538 C MLE B 203 -3.863 11.880 -4.945 1.00 0.96 C HETATM 2539 O MLE B 203 -3.565 12.331 -3.840 1.00 1.03 O HETATM 0 HD23 MLE B 203 -5.945 12.825 -8.851 1.00 0.86 H new HETATM 0 HD22 MLE B 203 -6.873 13.199 -7.379 1.00 0.86 H new HETATM 0 HD21 MLE B 203 -6.972 14.278 -8.790 1.00 0.86 H new HETATM 0 HD13 MLE B 203 -3.604 15.791 -8.355 1.00 0.95 H new HETATM 0 HD12 MLE B 203 -3.925 14.429 -9.455 1.00 0.95 H new HETATM 0 HD11 MLE B 203 -5.075 15.783 -9.356 1.00 0.95 H new HETATM 0 HN3 MLE B 203 -4.307 14.789 -3.794 1.00 1.01 H new HETATM 0 HN2 MLE B 203 -4.956 15.593 -5.243 1.00 1.01 H new HETATM 0 HN1 MLE B 203 -5.972 15.416 -3.793 1.00 1.01 H new HETATM 0 HG MLE B 203 -5.545 15.205 -7.015 1.00 0.92 H new HETATM 0 HB3 MLE B 203 -3.495 14.200 -6.320 1.00 0.97 H new HETATM 0 HB2 MLE B 203 -3.602 12.951 -7.545 1.00 0.97 H new HETATM 0 HA MLE B 203 -5.376 11.866 -6.436 1.00 0.94 H new HETATM 2550 N MVA B 204 -3.378 10.757 -5.453 1.00 0.92 N HETATM 2551 CN MVA B 204 -3.735 10.165 -7.126 1.00 0.93 C HETATM 2552 CA MVA B 204 -2.501 9.900 -4.673 1.00 0.94 C HETATM 2553 CB MVA B 204 -3.121 8.509 -4.529 1.00 0.97 C HETATM 2554 CG1 MVA B 204 -2.371 7.679 -3.484 1.00 1.10 C HETATM 2555 CG2 MVA B 204 -4.610 8.604 -4.188 1.00 0.89 C HETATM 2556 C MVA B 204 -1.114 9.872 -5.320 1.00 1.00 C HETATM 2557 O MVA B 204 -0.734 8.880 -5.938 1.00 0.99 O HETATM 0 HG23 MVA B 204 -4.734 9.141 -3.247 1.00 0.89 H new HETATM 0 HG22 MVA B 204 -5.132 9.138 -4.982 1.00 0.89 H new HETATM 0 HG21 MVA B 204 -5.026 7.601 -4.091 1.00 0.89 H new HETATM 0 HG13 MVA B 204 -1.330 7.567 -3.787 1.00 1.10 H new HETATM 0 HG12 MVA B 204 -2.416 8.183 -2.518 1.00 1.10 H new HETATM 0 HG11 MVA B 204 -2.832 6.695 -3.402 1.00 1.10 H new HETATM 0 HN3 MVA B 204 -2.805 10.077 -7.687 1.00 0.93 H new HETATM 0 HN2 MVA B 204 -4.219 9.190 -7.071 1.00 0.93 H new HETATM 0 HN1 MVA B 204 -4.396 10.871 -7.628 1.00 0.93 H new HETATM 0 HB MVA B 204 -3.029 8.001 -5.489 1.00 0.97 H new HETATM 0 HA MVA B 204 -2.381 10.294 -3.664 1.00 0.94 H new HETATM 2566 N BMT B 205 -0.433 11.064 -5.309 1.00 1.13 N HETATM 2567 CN BMT B 205 -0.752 12.229 -3.961 1.00 1.21 C HETATM 2568 CA BMT B 205 0.884 11.171 -5.915 1.00 1.27 C HETATM 2569 C BMT B 205 1.969 11.166 -4.837 1.00 1.37 C HETATM 2570 O BMT B 205 1.688 10.901 -3.669 1.00 1.42 O HETATM 2571 CB BMT B 205 0.901 12.427 -6.788 1.00 1.38 C HETATM 2572 OG1 BMT B 205 0.091 13.358 -6.074 1.00 1.75 O HETATM 2573 CG2 BMT B 205 0.161 12.230 -8.113 1.00 1.04 C HETATM 2574 CD1 BMT B 205 -0.968 11.212 -7.946 1.00 1.52 C HETATM 2575 CD2 BMT B 205 1.021 11.972 -9.276 1.00 1.76 C HETATM 2576 CE BMT B 205 2.019 12.977 -9.599 1.00 1.37 C HETATM 2577 CZ BMT B 205 2.046 14.233 -9.397 1.00 1.22 C HETATM 2578 CH BMT B 205 3.061 15.272 -9.799 1.00 1.41 C HETATM 0 HD23 BMT B 205 1.536 11.025 -9.112 1.00 1.76 H new HETATM 0 HD22 BMT B 205 0.380 11.840 -10.148 1.00 1.76 H new HETATM 0 HD13 BMT B 205 -0.552 10.257 -7.626 1.00 1.52 H new HETATM 0 HD12 BMT B 205 -1.673 11.570 -7.196 1.00 1.52 H new HETATM 0 HD11 BMT B 205 -1.485 11.083 -8.897 1.00 1.52 H new HETATM 0 HZ BMT B 205 1.193 14.622 -8.841 1.00 1.22 H new HETATM 0 HN3 BMT B 205 -0.027 12.069 -3.163 1.00 1.21 H new HETATM 0 HN2 BMT B 205 -0.662 13.250 -4.333 1.00 1.21 H new HETATM 0 HN1 BMT B 205 -1.759 12.071 -3.574 1.00 1.21 H new HETATM 0 HH3 BMT B 205 4.027 15.026 -9.358 1.00 1.41 H new HETATM 0 HH2 BMT B 205 3.152 15.291 -10.885 1.00 1.41 H new HETATM 0 HH1 BMT B 205 2.739 16.251 -9.445 1.00 1.41 H new HETATM 0 HG2 BMT B 205 -0.286 13.193 -8.361 1.00 1.04 H new HETATM 0 HG1 BMT B 205 0.177 14.245 -6.481 1.00 1.75 H new HETATM 0 HE BMT B 205 2.902 12.585 -10.104 1.00 1.37 H new HETATM 0 HB BMT B 205 1.933 12.715 -6.988 1.00 1.38 H new HETATM 0 HA BMT B 205 1.098 10.312 -6.551 1.00 1.27 H new HETATM 2593 N ABA B 206 3.187 11.461 -5.267 1.00 1.45 N HETATM 2594 CA ABA B 206 4.320 11.470 -4.357 1.00 1.67 C HETATM 2595 C ABA B 206 5.218 12.677 -4.636 1.00 1.80 C HETATM 2596 O ABA B 206 6.243 12.552 -5.307 1.00 1.94 O HETATM 2597 CB ABA B 206 5.045 10.129 -4.493 1.00 1.78 C HETATM 2598 CG ABA B 206 4.129 8.938 -4.211 1.00 1.71 C HETATM 0 HG3 ABA B 206 3.298 8.943 -4.916 1.00 1.71 H new HETATM 0 HG2 ABA B 206 3.743 9.009 -3.194 1.00 1.71 H new HETATM 0 HG1 ABA B 206 4.693 8.011 -4.321 1.00 1.71 H new HETATM 0 HB3 ABA B 206 5.890 10.105 -3.805 1.00 1.78 H new HETATM 0 HB2 ABA B 206 5.452 10.040 -5.500 1.00 1.78 H new HETATM 0 HA ABA B 206 3.996 11.578 -3.322 1.00 1.67 H new HETATM 0 H ABA B 206 3.087 12.199 -5.964 1.00 1.45 H new HETATM 2606 N SAR B 207 4.802 13.818 -4.107 1.00 1.79 N HETATM 2607 CA SAR B 207 5.620 15.060 -4.221 1.00 1.93 C HETATM 2608 C SAR B 207 4.960 16.435 -4.023 1.00 1.94 C HETATM 2609 O SAR B 207 5.410 17.378 -3.390 1.00 2.07 O HETATM 2610 CN SAR B 207 3.178 13.777 -3.238 1.00 1.65 C HETATM 0 HN3 SAR B 207 3.315 14.067 -2.196 1.00 1.65 H new HETATM 0 HN2 SAR B 207 2.490 14.471 -3.720 1.00 1.65 H new HETATM 0 HN1 SAR B 207 2.767 12.769 -3.283 1.00 1.65 H new HETATM 0 HA3 SAR B 207 6.431 14.982 -3.497 1.00 1.93 H new HETATM 0 HA2 SAR B 207 6.076 15.059 -5.211 1.00 1.93 H new HETATM 2613 N MLE B 208 3.781 16.581 -4.611 1.00 1.82 N HETATM 2614 CN MLE B 208 2.758 15.516 -5.657 1.00 1.66 C HETATM 2615 CA MLE B 208 3.219 17.892 -4.333 1.00 1.88 C HETATM 2616 CB MLE B 208 3.908 18.961 -5.185 1.00 1.94 C HETATM 2617 CG MLE B 208 4.172 18.587 -6.645 1.00 1.76 C HETATM 2618 CD1 MLE B 208 5.198 17.457 -6.745 1.00 3.10 C HETATM 2619 CD2 MLE B 208 2.868 18.243 -7.368 1.00 2.37 C HETATM 2620 C MLE B 208 1.701 17.841 -4.517 1.00 1.78 C HETATM 2621 O MLE B 208 1.160 18.484 -5.416 1.00 2.03 O HETATM 0 HD23 MLE B 208 2.389 17.398 -6.872 1.00 2.37 H new HETATM 0 HD22 MLE B 208 2.200 19.104 -7.344 1.00 2.37 H new HETATM 0 HD21 MLE B 208 3.084 17.981 -8.404 1.00 2.37 H new HETATM 0 HD13 MLE B 208 6.136 17.776 -6.291 1.00 3.10 H new HETATM 0 HD12 MLE B 208 4.823 16.577 -6.222 1.00 3.10 H new HETATM 0 HD11 MLE B 208 5.367 17.211 -7.793 1.00 3.10 H new HETATM 0 HN3 MLE B 208 1.796 15.347 -5.173 1.00 1.66 H new HETATM 0 HN2 MLE B 208 2.599 15.998 -6.622 1.00 1.66 H new HETATM 0 HN1 MLE B 208 3.262 14.561 -5.807 1.00 1.66 H new HETATM 0 HG MLE B 208 4.599 19.455 -7.147 1.00 1.76 H new HETATM 0 HB3 MLE B 208 3.296 19.863 -5.167 1.00 1.94 H new HETATM 0 HB2 MLE B 208 4.860 19.213 -4.717 1.00 1.94 H new HETATM 0 HA MLE B 208 3.404 18.175 -3.297 1.00 1.88 H new ATOM 2632 N VAL B 209 1.058 17.072 -3.653 1.00 1.52 N ATOM 2633 CA VAL B 209 -0.362 16.804 -3.802 1.00 1.41 C ATOM 2634 C VAL B 209 -1.089 18.104 -4.151 1.00 1.49 C ATOM 2635 O VAL B 209 -0.985 19.092 -3.425 1.00 1.74 O ATOM 2636 CB VAL B 209 -0.905 16.138 -2.535 1.00 1.47 C ATOM 2637 CG1 VAL B 209 -2.396 15.826 -2.677 1.00 1.39 C ATOM 2638 CG2 VAL B 209 -0.110 14.876 -2.196 1.00 1.47 C ATOM 0 H VAL B 209 1.494 16.625 -2.846 1.00 1.52 H new ATOM 0 HA VAL B 209 -0.534 16.105 -4.621 1.00 1.41 H new ATOM 0 HB VAL B 209 -0.787 16.840 -1.709 1.00 1.47 H new ATOM 0 HG11 VAL B 209 -2.757 15.353 -1.764 1.00 1.39 H new ATOM 0 HG12 VAL B 209 -2.946 16.751 -2.849 1.00 1.39 H new ATOM 0 HG13 VAL B 209 -2.548 15.151 -3.519 1.00 1.39 H new ATOM 0 HG21 VAL B 209 -0.516 14.422 -1.292 1.00 1.47 H new ATOM 0 HG22 VAL B 209 -0.182 14.168 -3.021 1.00 1.47 H new ATOM 0 HG23 VAL B 209 0.935 15.137 -2.033 1.00 1.47 H new HETATM 2648 N MLE B 210 -1.807 18.063 -5.263 1.00 1.38 N HETATM 2649 CN MLE B 210 -1.936 16.607 -6.332 1.00 1.24 C HETATM 2650 CA MLE B 210 -2.562 19.221 -5.710 1.00 1.51 C HETATM 2651 CB MLE B 210 -2.467 19.370 -7.230 1.00 1.53 C HETATM 2652 CG MLE B 210 -1.058 19.302 -7.824 1.00 1.58 C HETATM 2653 CD1 MLE B 210 -1.109 19.028 -9.328 1.00 1.56 C HETATM 2654 CD2 MLE B 210 -0.264 20.569 -7.498 1.00 1.97 C HETATM 2655 C MLE B 210 -3.998 19.120 -5.192 1.00 1.49 C HETATM 2656 O MLE B 210 -4.325 18.207 -4.433 1.00 1.40 O HETATM 0 HD23 MLE B 210 -0.777 21.437 -7.913 1.00 1.97 H new HETATM 0 HD22 MLE B 210 -0.182 20.679 -6.417 1.00 1.97 H new HETATM 0 HD21 MLE B 210 0.733 20.495 -7.932 1.00 1.97 H new HETATM 0 HD13 MLE B 210 -1.610 18.077 -9.508 1.00 1.56 H new HETATM 0 HD12 MLE B 210 -1.659 19.827 -9.825 1.00 1.56 H new HETATM 0 HD11 MLE B 210 -0.095 18.985 -9.725 1.00 1.56 H new HETATM 0 HN3 MLE B 210 -2.978 16.294 -6.397 1.00 1.24 H new HETATM 0 HN2 MLE B 210 -1.569 16.853 -7.328 1.00 1.24 H new HETATM 0 HN1 MLE B 210 -1.339 15.796 -5.916 1.00 1.24 H new HETATM 0 HG MLE B 210 -0.533 18.465 -7.363 1.00 1.58 H new HETATM 0 HB3 MLE B 210 -3.072 18.589 -7.690 1.00 1.53 H new HETATM 0 HB2 MLE B 210 -2.912 20.325 -7.510 1.00 1.53 H new HETATM 0 HA MLE B 210 -2.136 20.135 -5.296 1.00 1.51 H new ATOM 2667 N ALA B 211 -4.817 20.068 -5.621 1.00 1.61 N ATOM 2668 CA ALA B 211 -6.201 20.117 -5.181 1.00 1.61 C ATOM 2669 C ALA B 211 -6.899 18.811 -5.561 1.00 1.33 C ATOM 2670 O ALA B 211 -6.505 18.148 -6.519 1.00 1.25 O ATOM 2671 CB ALA B 211 -6.886 21.343 -5.788 1.00 1.86 C ATOM 0 H ALA B 211 -4.549 20.809 -6.269 1.00 1.61 H new ATOM 0 HA ALA B 211 -6.256 20.216 -4.097 1.00 1.61 H new ATOM 0 HB1 ALA B 211 -7.924 21.380 -5.458 1.00 1.86 H new ATOM 0 HB2 ALA B 211 -6.370 22.246 -5.463 1.00 1.86 H new ATOM 0 HB3 ALA B 211 -6.853 21.277 -6.876 1.00 1.86 H new TER 2677 ALA B 211