USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=46 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 147 SER OG : rot -120:sc= 0.94 USER MOD Set 1.2: A 149 ASN : amide:sc= 1.13 K(o=2.1,f=-4.9!) USER MOD Set 2.1: A 115 CYS SG : rot -89:sc= 1.18 USER MOD Set 2.2: A 119 THR OG1 : rot -117:sc= 1.28 USER MOD Set 3.1: A 102 ASN : amide:sc= -2.31! C(o=-2.9!,f=-6.3!) USER MOD Set 3.2: A 108 ASN : amide:sc= -0.622 K(o=-2.9,f=-13!) USER MOD Set 4.1: A 92 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.1) USER MOD Set 4.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 62 CYS SG : rot -120:sc=-0.00217 USER MOD Set 5.2: A 142 MET CE :methyl -174:sc= -0.0214 (180deg=-0.0594) USER MOD Set 6.1: A 54 HIS : no HE2:sc= 0.544 K(o=-0.8,f=-8!) USER MOD Set 6.2: A 61 MET CE :methyl -162:sc= -0.128 (180deg=-0.458) USER MOD Set 6.3: A 63 GLN : amide:sc= -1.21 K(o=-0.8,f=-7.5!) USER MOD Set 7.1: A 35 ASN : amide:sc= 1.26 K(o=2.5,f=-1.7!) USER MOD Set 7.2: A 77 SER OG : rot -125:sc= 1.23 USER MOD Set 8.1: A 28 LYS NZ :NH3+ 134:sc= 0.0849 (180deg=-0.0099) USER MOD Set 8.2: A 87 ASN :FLIP amide:sc= -1.1! C(o=-1.7!,f=-1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.219) USER MOD Single : A 3 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.3) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 1.9 (180deg=1.77) USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000494 USER MOD Single : A 40 SER OG : rot 66:sc= 1.04 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.443) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 52 CYS SG : rot -61:sc= -1.52! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-4.4!) USER MOD Single : A 71 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.17) USER MOD Single : A 73 THR OG1 : rot 83:sc= 0.33 USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= 0.937 (180deg=0.262) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= 1.21 (180deg=0.0313) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.14) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 100 MET CE :methyl 165:sc=-0.000727 (180deg=-0.0651) USER MOD Single : A 106 ASN : amide:sc= 0.254 K(o=0.25,f=-3.6!) USER MOD Single : A 107 THR OG1 : rot 71:sc= 0.414 USER MOD Single : A 110 SER OG : rot 126:sc= 0.654 USER MOD Single : A 111 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.4!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 2.29 (180deg=2.16) USER MOD Single : A 125 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.22) USER MOD Single : A 126 HIS : no HE2:sc= -2.54 K(o=-2.5,f=-4.3!) USER MOD Single : A 131 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.04) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl 153:sc= -0.727 (180deg=-2.1!) USER MOD Single : A 137 ASN : amide:sc= -0.927 K(o=-0.93,f=-10!) USER MOD Single : A 151 LYS NZ :NH3+ -100:sc= 1.3 (180deg=0.435) USER MOD Single : A 152 THR OG1 : rot 82:sc= 0.717 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 142:sc= 0.332 (180deg=0.0032) USER MOD Single : A 155 LYS NZ :NH3+ -157:sc= 0 (180deg=-1.47e-05) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot -132:sc= -3.01! USER MOD Single : A 163 GLN : amide:sc= -1.26 K(o=-1.3,f=-7.9!) USER MOD Single : B 205 BMT OG1 : rot -85:sc= -2.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.770 -19.300 -11.800 1.00 5.81 N ATOM 2 CA MET A 1 -1.885 -20.266 -10.720 1.00 4.97 C ATOM 3 C MET A 1 -1.048 -19.840 -9.512 1.00 3.51 C ATOM 4 O MET A 1 -1.472 -20.006 -8.370 1.00 3.89 O ATOM 5 CB MET A 1 -1.415 -21.637 -11.210 1.00 5.81 C ATOM 6 CG MET A 1 -1.756 -22.729 -10.194 1.00 6.35 C ATOM 7 SD MET A 1 -3.521 -22.998 -10.156 1.00 8.34 S ATOM 8 CE MET A 1 -3.617 -24.248 -8.886 1.00 9.26 C ATOM 0 H1 MET A 1 -2.515 -19.476 -12.504 1.00 5.81 H new ATOM 0 H2 MET A 1 -1.875 -18.338 -11.418 1.00 5.81 H new ATOM 0 H3 MET A 1 -0.838 -19.393 -12.251 1.00 5.81 H new ATOM 0 HA MET A 1 -2.930 -20.318 -10.414 1.00 4.97 H new ATOM 0 HB2 MET A 1 -1.885 -21.866 -12.167 1.00 5.81 H new ATOM 0 HB3 MET A 1 -0.339 -21.617 -11.380 1.00 5.81 H new ATOM 0 HG2 MET A 1 -1.244 -23.655 -10.457 1.00 6.35 H new ATOM 0 HG3 MET A 1 -1.403 -22.440 -9.204 1.00 6.35 H new ATOM 0 HE1 MET A 1 -4.658 -24.533 -8.734 1.00 9.26 H new ATOM 0 HE2 MET A 1 -3.042 -25.122 -9.192 1.00 9.26 H new ATOM 0 HE3 MET A 1 -3.209 -23.853 -7.955 1.00 9.26 H new ATOM 18 N VAL A 2 0.124 -19.300 -9.806 1.00 3.09 N ATOM 19 CA VAL A 2 1.034 -18.869 -8.758 1.00 3.05 C ATOM 20 C VAL A 2 0.579 -17.512 -8.219 1.00 2.57 C ATOM 21 O VAL A 2 0.968 -16.470 -8.742 1.00 3.63 O ATOM 22 CB VAL A 2 2.470 -18.851 -9.286 1.00 4.80 C ATOM 23 CG1 VAL A 2 3.437 -18.317 -8.226 1.00 5.62 C ATOM 24 CG2 VAL A 2 2.896 -20.240 -9.766 1.00 5.67 C ATOM 0 H VAL A 2 0.466 -19.151 -10.755 1.00 3.09 H new ATOM 0 HA VAL A 2 1.017 -19.572 -7.925 1.00 3.05 H new ATOM 0 HB VAL A 2 2.504 -18.176 -10.141 1.00 4.80 H new ATOM 0 HG11 VAL A 2 4.451 -18.315 -8.627 1.00 5.62 H new ATOM 0 HG12 VAL A 2 3.152 -17.301 -7.953 1.00 5.62 H new ATOM 0 HG13 VAL A 2 3.397 -18.955 -7.343 1.00 5.62 H new ATOM 0 HG21 VAL A 2 3.920 -20.199 -10.136 1.00 5.67 H new ATOM 0 HG22 VAL A 2 2.838 -20.945 -8.937 1.00 5.67 H new ATOM 0 HG23 VAL A 2 2.234 -20.567 -10.567 1.00 5.67 H new ATOM 34 N ASN A 3 -0.242 -17.569 -7.180 1.00 1.42 N ATOM 35 CA ASN A 3 -0.731 -16.357 -6.545 1.00 1.00 C ATOM 36 C ASN A 3 -0.453 -16.425 -5.041 1.00 0.93 C ATOM 37 O ASN A 3 -1.247 -16.981 -4.285 1.00 1.04 O ATOM 38 CB ASN A 3 -2.241 -16.206 -6.739 1.00 1.09 C ATOM 39 CG ASN A 3 -2.587 -16.003 -8.216 1.00 1.40 C ATOM 40 OD1 ASN A 3 -1.754 -15.642 -9.031 1.00 2.47 O ATOM 41 ND2 ASN A 3 -3.859 -16.257 -8.514 1.00 1.66 N ATOM 0 H ASN A 3 -0.581 -18.436 -6.762 1.00 1.42 H new ATOM 0 HA ASN A 3 -0.221 -15.508 -7.000 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -2.750 -17.093 -6.361 1.00 1.09 H new ATOM 0 HB3 ASN A 3 -2.603 -15.358 -6.157 1.00 1.09 H new ATOM 0 HD21 ASN A 3 -4.189 -16.153 -9.474 1.00 1.66 H new ATOM 0 HD22 ASN A 3 -4.504 -16.556 -7.783 1.00 1.66 H new ATOM 48 N PRO A 4 0.706 -15.835 -4.646 1.00 0.93 N ATOM 49 CA PRO A 4 1.103 -15.827 -3.248 1.00 0.97 C ATOM 50 C PRO A 4 0.276 -14.818 -2.448 1.00 0.81 C ATOM 51 O PRO A 4 -0.351 -13.929 -3.025 1.00 0.92 O ATOM 52 CB PRO A 4 2.587 -15.501 -3.261 1.00 1.25 C ATOM 53 CG PRO A 4 2.866 -14.883 -4.621 1.00 1.33 C ATOM 54 CD PRO A 4 1.668 -15.162 -5.514 1.00 1.11 C ATOM 0 HA PRO A 4 0.924 -16.783 -2.755 1.00 0.97 H new ATOM 0 HB2 PRO A 4 2.842 -14.809 -2.458 1.00 1.25 H new ATOM 0 HB3 PRO A 4 3.186 -16.399 -3.110 1.00 1.25 H new ATOM 0 HG2 PRO A 4 3.030 -13.810 -4.526 1.00 1.33 H new ATOM 0 HG3 PRO A 4 3.772 -15.307 -5.054 1.00 1.33 H new ATOM 0 HD2 PRO A 4 1.255 -14.239 -5.922 1.00 1.11 H new ATOM 0 HD3 PRO A 4 1.944 -15.790 -6.361 1.00 1.11 H new ATOM 62 N THR A 5 0.300 -14.988 -1.135 1.00 0.83 N ATOM 63 CA THR A 5 -0.461 -14.120 -0.253 1.00 0.71 C ATOM 64 C THR A 5 0.428 -13.592 0.874 1.00 0.64 C ATOM 65 O THR A 5 1.241 -14.333 1.426 1.00 0.66 O ATOM 66 CB THR A 5 -1.676 -14.902 0.247 1.00 0.80 C ATOM 67 OG1 THR A 5 -2.404 -15.210 -0.939 1.00 1.19 O ATOM 68 CG2 THR A 5 -2.638 -14.033 1.060 1.00 0.99 C ATOM 0 H THR A 5 0.835 -15.715 -0.660 1.00 0.83 H new ATOM 0 HA THR A 5 -0.820 -13.237 -0.781 1.00 0.71 H new ATOM 0 HB THR A 5 -1.341 -15.741 0.857 1.00 0.80 H new ATOM 0 HG1 THR A 5 -3.208 -15.719 -0.706 1.00 1.19 H new ATOM 0 HG21 THR A 5 -3.483 -14.637 1.391 1.00 0.99 H new ATOM 0 HG22 THR A 5 -2.118 -13.630 1.929 1.00 0.99 H new ATOM 0 HG23 THR A 5 -2.999 -13.212 0.440 1.00 0.99 H new ATOM 76 N VAL A 6 0.245 -12.317 1.182 1.00 0.69 N ATOM 77 CA VAL A 6 0.993 -11.693 2.261 1.00 0.68 C ATOM 78 C VAL A 6 0.014 -11.141 3.300 1.00 0.69 C ATOM 79 O VAL A 6 -1.158 -10.918 2.999 1.00 0.79 O ATOM 80 CB VAL A 6 1.932 -10.624 1.697 1.00 0.73 C ATOM 81 CG1 VAL A 6 2.911 -11.232 0.692 1.00 1.20 C ATOM 82 CG2 VAL A 6 1.141 -9.476 1.068 1.00 1.26 C ATOM 0 H VAL A 6 -0.410 -11.699 0.704 1.00 0.69 H new ATOM 0 HA VAL A 6 1.623 -12.427 2.764 1.00 0.68 H new ATOM 0 HB VAL A 6 2.512 -10.216 2.525 1.00 0.73 H new ATOM 0 HG11 VAL A 6 3.567 -10.452 0.306 1.00 1.20 H new ATOM 0 HG12 VAL A 6 3.509 -11.998 1.185 1.00 1.20 H new ATOM 0 HG13 VAL A 6 2.355 -11.680 -0.132 1.00 1.20 H new ATOM 0 HG21 VAL A 6 1.832 -8.730 0.675 1.00 1.26 H new ATOM 0 HG22 VAL A 6 0.523 -9.861 0.257 1.00 1.26 H new ATOM 0 HG23 VAL A 6 0.503 -9.017 1.823 1.00 1.26 H new ATOM 92 N PHE A 7 0.532 -10.935 4.502 1.00 0.69 N ATOM 93 CA PHE A 7 -0.292 -10.456 5.600 1.00 0.75 C ATOM 94 C PHE A 7 0.371 -9.271 6.305 1.00 0.63 C ATOM 95 O PHE A 7 1.591 -9.237 6.456 1.00 0.64 O ATOM 96 CB PHE A 7 -0.432 -11.613 6.592 1.00 1.00 C ATOM 97 CG PHE A 7 0.869 -11.976 7.311 1.00 0.94 C ATOM 98 CD1 PHE A 7 1.209 -11.339 8.464 1.00 1.74 C ATOM 99 CD2 PHE A 7 1.685 -12.935 6.798 1.00 2.45 C ATOM 100 CE1 PHE A 7 2.417 -11.677 9.132 1.00 1.94 C ATOM 101 CE2 PHE A 7 2.892 -13.273 7.465 1.00 2.84 C ATOM 102 CZ PHE A 7 3.232 -12.637 8.618 1.00 1.91 C ATOM 0 H PHE A 7 1.512 -11.091 4.740 1.00 0.69 H new ATOM 0 HA PHE A 7 -1.260 -10.125 5.223 1.00 0.75 H new ATOM 0 HB2 PHE A 7 -1.185 -11.352 7.335 1.00 1.00 H new ATOM 0 HB3 PHE A 7 -0.799 -12.491 6.061 1.00 1.00 H new ATOM 0 HD1 PHE A 7 0.561 -10.577 8.871 1.00 1.74 H new ATOM 0 HD2 PHE A 7 1.415 -13.440 5.882 1.00 2.45 H new ATOM 0 HE1 PHE A 7 2.688 -11.172 10.047 1.00 1.94 H new ATOM 0 HE2 PHE A 7 3.540 -14.035 7.057 1.00 2.84 H new ATOM 0 HZ PHE A 7 4.150 -12.894 9.126 1.00 1.91 H new ATOM 112 N PHE A 8 -0.463 -8.328 6.720 1.00 0.76 N ATOM 113 CA PHE A 8 0.029 -7.137 7.391 1.00 0.84 C ATOM 114 C PHE A 8 -0.769 -6.857 8.666 1.00 0.70 C ATOM 115 O PHE A 8 -1.996 -6.947 8.668 1.00 0.77 O ATOM 116 CB PHE A 8 -0.159 -5.968 6.421 1.00 1.20 C ATOM 117 CG PHE A 8 0.969 -5.823 5.397 1.00 1.18 C ATOM 118 CD1 PHE A 8 1.100 -6.734 4.396 1.00 2.54 C ATOM 119 CD2 PHE A 8 1.840 -4.782 5.488 1.00 2.06 C ATOM 120 CE1 PHE A 8 2.146 -6.599 3.445 1.00 3.32 C ATOM 121 CE2 PHE A 8 2.887 -4.647 4.538 1.00 2.79 C ATOM 122 CZ PHE A 8 3.018 -5.558 3.536 1.00 3.06 C ATOM 0 H PHE A 8 -1.476 -8.365 6.604 1.00 0.76 H new ATOM 0 HA PHE A 8 1.074 -7.272 7.670 1.00 0.84 H new ATOM 0 HB2 PHE A 8 -1.103 -6.097 5.891 1.00 1.20 H new ATOM 0 HB3 PHE A 8 -0.238 -5.043 6.993 1.00 1.20 H new ATOM 0 HD1 PHE A 8 0.408 -7.560 4.324 1.00 2.54 H new ATOM 0 HD2 PHE A 8 1.735 -4.058 6.283 1.00 2.06 H new ATOM 0 HE1 PHE A 8 2.250 -7.322 2.650 1.00 3.32 H new ATOM 0 HE2 PHE A 8 3.579 -3.821 4.611 1.00 2.79 H new ATOM 0 HZ PHE A 8 3.814 -5.455 2.813 1.00 3.06 H new ATOM 132 N ASP A 9 -0.039 -6.526 9.721 1.00 0.71 N ATOM 133 CA ASP A 9 -0.664 -6.217 10.996 1.00 0.65 C ATOM 134 C ASP A 9 -0.746 -4.698 11.164 1.00 0.77 C ATOM 135 O ASP A 9 0.181 -3.978 10.794 1.00 1.09 O ATOM 136 CB ASP A 9 0.154 -6.779 12.160 1.00 0.78 C ATOM 137 CG ASP A 9 -0.625 -6.977 13.462 1.00 1.09 C ATOM 138 OD1 ASP A 9 -1.777 -6.491 13.514 1.00 2.29 O ATOM 139 OD2 ASP A 9 -0.053 -7.608 14.376 1.00 2.08 O ATOM 0 H ASP A 9 0.979 -6.465 9.719 1.00 0.71 H new ATOM 0 HA ASP A 9 -1.657 -6.666 11.003 1.00 0.65 H new ATOM 0 HB2 ASP A 9 0.577 -7.737 11.858 1.00 0.78 H new ATOM 0 HB3 ASP A 9 0.991 -6.108 12.353 1.00 0.78 H new ATOM 144 N ILE A 10 -1.863 -4.256 11.723 1.00 0.62 N ATOM 145 CA ILE A 10 -2.070 -2.838 11.960 1.00 0.74 C ATOM 146 C ILE A 10 -2.291 -2.601 13.456 1.00 0.85 C ATOM 147 O ILE A 10 -3.101 -3.283 14.082 1.00 0.96 O ATOM 148 CB ILE A 10 -3.205 -2.308 11.080 1.00 0.82 C ATOM 149 CG1 ILE A 10 -2.999 -2.713 9.619 1.00 0.98 C ATOM 150 CG2 ILE A 10 -3.360 -0.794 11.239 1.00 1.03 C ATOM 151 CD1 ILE A 10 -1.854 -1.921 8.985 1.00 1.42 C ATOM 0 H ILE A 10 -2.634 -4.855 12.019 1.00 0.62 H new ATOM 0 HA ILE A 10 -1.184 -2.271 11.675 1.00 0.74 H new ATOM 0 HB ILE A 10 -4.138 -2.764 11.412 1.00 0.82 H new ATOM 0 HG12 ILE A 10 -2.783 -3.780 9.561 1.00 0.98 H new ATOM 0 HG13 ILE A 10 -3.918 -2.542 9.058 1.00 0.98 H new ATOM 0 HG21 ILE A 10 -4.173 -0.443 10.603 1.00 1.03 H new ATOM 0 HG22 ILE A 10 -3.585 -0.559 12.279 1.00 1.03 H new ATOM 0 HG23 ILE A 10 -2.433 -0.301 10.948 1.00 1.03 H new ATOM 0 HD11 ILE A 10 -1.730 -2.229 7.947 1.00 1.42 H new ATOM 0 HD12 ILE A 10 -2.084 -0.856 9.023 1.00 1.42 H new ATOM 0 HD13 ILE A 10 -0.932 -2.113 9.533 1.00 1.42 H new ATOM 163 N ALA A 11 -1.555 -1.635 13.984 1.00 0.87 N ATOM 164 CA ALA A 11 -1.674 -1.286 15.390 1.00 0.98 C ATOM 165 C ALA A 11 -2.037 0.195 15.515 1.00 1.03 C ATOM 166 O ALA A 11 -1.303 1.059 15.037 1.00 1.09 O ATOM 167 CB ALA A 11 -0.372 -1.632 16.114 1.00 1.03 C ATOM 0 H ALA A 11 -0.874 -1.082 13.464 1.00 0.87 H new ATOM 0 HA ALA A 11 -2.471 -1.861 15.862 1.00 0.98 H new ATOM 0 HB1 ALA A 11 -0.461 -1.370 17.168 1.00 1.03 H new ATOM 0 HB2 ALA A 11 -0.177 -2.700 16.021 1.00 1.03 H new ATOM 0 HB3 ALA A 11 0.451 -1.072 15.670 1.00 1.03 H new ATOM 173 N VAL A 12 -3.167 0.443 16.160 1.00 1.07 N ATOM 174 CA VAL A 12 -3.623 1.806 16.375 1.00 1.16 C ATOM 175 C VAL A 12 -3.420 2.181 17.844 1.00 1.35 C ATOM 176 O VAL A 12 -4.222 1.809 18.700 1.00 1.49 O ATOM 177 CB VAL A 12 -5.075 1.950 15.916 1.00 1.22 C ATOM 178 CG1 VAL A 12 -5.558 3.393 16.072 1.00 1.36 C ATOM 179 CG2 VAL A 12 -5.245 1.469 14.473 1.00 1.08 C ATOM 0 H VAL A 12 -3.781 -0.277 16.541 1.00 1.07 H new ATOM 0 HA VAL A 12 -3.037 2.504 15.778 1.00 1.16 H new ATOM 0 HB VAL A 12 -5.692 1.318 16.555 1.00 1.22 H new ATOM 0 HG11 VAL A 12 -6.593 3.468 15.739 1.00 1.36 H new ATOM 0 HG12 VAL A 12 -5.492 3.688 17.119 1.00 1.36 H new ATOM 0 HG13 VAL A 12 -4.934 4.053 15.469 1.00 1.36 H new ATOM 0 HG21 VAL A 12 -6.286 1.582 14.172 1.00 1.08 H new ATOM 0 HG22 VAL A 12 -4.610 2.062 13.815 1.00 1.08 H new ATOM 0 HG23 VAL A 12 -4.959 0.419 14.403 1.00 1.08 H new ATOM 189 N ASP A 13 -2.344 2.913 18.091 1.00 1.39 N ATOM 190 CA ASP A 13 -2.002 3.307 19.448 1.00 1.57 C ATOM 191 C ASP A 13 -1.987 2.067 20.345 1.00 1.59 C ATOM 192 O ASP A 13 -2.985 1.752 20.991 1.00 1.71 O ATOM 193 CB ASP A 13 -3.032 4.286 20.012 1.00 1.74 C ATOM 194 CG ASP A 13 -4.068 4.788 19.005 1.00 2.53 C ATOM 195 OD1 ASP A 13 -3.635 5.234 17.921 1.00 2.59 O ATOM 196 OD2 ASP A 13 -5.269 4.716 19.343 1.00 3.98 O ATOM 0 H ASP A 13 -1.697 3.244 17.375 1.00 1.39 H new ATOM 0 HA ASP A 13 -1.024 3.787 19.425 1.00 1.57 H new ATOM 0 HB2 ASP A 13 -3.555 3.804 20.838 1.00 1.74 H new ATOM 0 HB3 ASP A 13 -2.505 5.145 20.427 1.00 1.74 H new ATOM 201 N GLY A 14 -0.844 1.398 20.356 1.00 1.53 N ATOM 202 CA GLY A 14 -0.642 0.274 21.253 1.00 1.58 C ATOM 203 C GLY A 14 -1.887 -0.615 21.306 1.00 1.56 C ATOM 204 O GLY A 14 -2.270 -1.090 22.374 1.00 1.68 O ATOM 0 H GLY A 14 -0.047 1.613 19.757 1.00 1.53 H new ATOM 0 HA2 GLY A 14 0.214 -0.312 20.920 1.00 1.58 H new ATOM 0 HA3 GLY A 14 -0.409 0.639 22.253 1.00 1.58 H new ATOM 208 N GLU A 15 -2.484 -0.813 20.139 1.00 1.43 N ATOM 209 CA GLU A 15 -3.649 -1.675 20.031 1.00 1.43 C ATOM 210 C GLU A 15 -3.708 -2.316 18.644 1.00 1.26 C ATOM 211 O GLU A 15 -4.012 -1.646 17.659 1.00 1.32 O ATOM 212 CB GLU A 15 -4.933 -0.899 20.332 1.00 1.56 C ATOM 213 CG GLU A 15 -6.104 -1.852 20.580 1.00 1.71 C ATOM 214 CD GLU A 15 -6.019 -2.470 21.977 1.00 2.05 C ATOM 215 OE1 GLU A 15 -6.436 -1.778 22.931 1.00 2.53 O ATOM 216 OE2 GLU A 15 -5.539 -3.622 22.060 1.00 3.38 O ATOM 0 H GLU A 15 -2.183 -0.391 19.261 1.00 1.43 H new ATOM 0 HA GLU A 15 -3.560 -2.469 20.772 1.00 1.43 H new ATOM 0 HB2 GLU A 15 -4.783 -0.266 21.207 1.00 1.56 H new ATOM 0 HB3 GLU A 15 -5.167 -0.239 19.497 1.00 1.56 H new ATOM 0 HG2 GLU A 15 -7.045 -1.313 20.473 1.00 1.71 H new ATOM 0 HG3 GLU A 15 -6.101 -2.641 19.828 1.00 1.71 H new ATOM 223 N PRO A 16 -3.404 -3.641 18.610 1.00 1.07 N ATOM 224 CA PRO A 16 -3.437 -4.385 17.363 1.00 0.95 C ATOM 225 C PRO A 16 -4.878 -4.669 16.931 1.00 1.00 C ATOM 226 O PRO A 16 -5.594 -5.413 17.600 1.00 1.08 O ATOM 227 CB PRO A 16 -2.639 -5.649 17.637 1.00 0.90 C ATOM 228 CG PRO A 16 -2.583 -5.787 19.150 1.00 0.96 C ATOM 229 CD PRO A 16 -3.022 -4.463 19.755 1.00 1.05 C ATOM 0 HA PRO A 16 -3.004 -3.830 16.531 1.00 0.95 H new ATOM 0 HB2 PRO A 16 -3.116 -6.518 17.183 1.00 0.90 H new ATOM 0 HB3 PRO A 16 -1.637 -5.578 17.214 1.00 0.90 H new ATOM 0 HG2 PRO A 16 -3.235 -6.594 19.484 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -1.573 -6.038 19.473 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -3.858 -4.599 20.441 1.00 1.05 H new ATOM 0 HD3 PRO A 16 -2.215 -4.000 20.323 1.00 1.05 H new ATOM 237 N LEU A 17 -5.258 -4.061 15.817 1.00 1.05 N ATOM 238 CA LEU A 17 -6.608 -4.219 15.303 1.00 1.19 C ATOM 239 C LEU A 17 -6.791 -5.649 14.789 1.00 1.12 C ATOM 240 O LEU A 17 -7.825 -6.271 15.027 1.00 1.25 O ATOM 241 CB LEU A 17 -6.912 -3.146 14.257 1.00 1.39 C ATOM 242 CG LEU A 17 -7.663 -1.911 14.758 1.00 0.79 C ATOM 243 CD1 LEU A 17 -9.108 -2.258 15.121 1.00 1.32 C ATOM 244 CD2 LEU A 17 -6.920 -1.256 15.925 1.00 2.01 C ATOM 0 H LEU A 17 -4.655 -3.459 15.256 1.00 1.05 H new ATOM 0 HA LEU A 17 -7.338 -4.071 16.099 1.00 1.19 H new ATOM 0 HB2 LEU A 17 -5.970 -2.819 13.817 1.00 1.39 H new ATOM 0 HB3 LEU A 17 -7.496 -3.602 13.458 1.00 1.39 H new ATOM 0 HG LEU A 17 -7.701 -1.181 13.949 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -9.619 -1.363 15.474 1.00 1.32 H new ATOM 0 HD12 LEU A 17 -9.621 -2.646 14.241 1.00 1.32 H new ATOM 0 HD13 LEU A 17 -9.114 -3.013 15.907 1.00 1.32 H new ATOM 0 HD21 LEU A 17 -7.474 -0.380 16.263 1.00 2.01 H new ATOM 0 HD22 LEU A 17 -6.831 -1.968 16.745 1.00 2.01 H new ATOM 0 HD23 LEU A 17 -5.925 -0.952 15.599 1.00 2.01 H new ATOM 256 N GLY A 18 -5.769 -6.128 14.095 1.00 0.96 N ATOM 257 CA GLY A 18 -5.804 -7.473 13.544 1.00 1.00 C ATOM 258 C GLY A 18 -4.931 -7.574 12.291 1.00 0.87 C ATOM 259 O GLY A 18 -4.238 -6.623 11.934 1.00 0.85 O ATOM 0 H GLY A 18 -4.912 -5.610 13.902 1.00 0.96 H new ATOM 0 HA2 GLY A 18 -5.457 -8.186 14.292 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -6.831 -7.743 13.299 1.00 1.00 H new ATOM 263 N ARG A 19 -4.993 -8.737 11.659 1.00 0.99 N ATOM 264 CA ARG A 19 -4.152 -9.007 10.505 1.00 0.93 C ATOM 265 C ARG A 19 -4.963 -8.875 9.215 1.00 0.89 C ATOM 266 O ARG A 19 -6.130 -9.259 9.169 1.00 0.95 O ATOM 267 CB ARG A 19 -3.549 -10.412 10.580 1.00 1.10 C ATOM 268 CG ARG A 19 -2.099 -10.413 10.092 1.00 1.49 C ATOM 269 CD ARG A 19 -1.158 -9.869 11.169 1.00 2.34 C ATOM 270 NE ARG A 19 -1.028 -10.850 12.269 1.00 2.61 N ATOM 271 CZ ARG A 19 -0.295 -10.649 13.373 1.00 3.65 C ATOM 272 NH1 ARG A 19 0.790 -9.865 13.321 1.00 4.72 N ATOM 273 NH2 ARG A 19 -0.647 -11.230 14.527 1.00 4.42 N ATOM 0 H ARG A 19 -5.612 -9.503 11.924 1.00 0.99 H new ATOM 0 HA ARG A 19 -3.343 -8.276 10.505 1.00 0.93 H new ATOM 0 HB2 ARG A 19 -3.591 -10.775 11.607 1.00 1.10 H new ATOM 0 HB3 ARG A 19 -4.141 -11.098 9.974 1.00 1.10 H new ATOM 0 HG2 ARG A 19 -1.803 -11.427 9.823 1.00 1.49 H new ATOM 0 HG3 ARG A 19 -2.015 -9.807 9.190 1.00 1.49 H new ATOM 0 HD2 ARG A 19 -0.179 -9.662 10.737 1.00 2.34 H new ATOM 0 HD3 ARG A 19 -1.542 -8.925 11.556 1.00 2.34 H new ATOM 0 HE ARG A 19 -1.528 -11.735 12.182 1.00 2.61 H new ATOM 0 HH11 ARG A 19 1.057 -9.422 12.442 1.00 4.72 H new ATOM 0 HH12 ARG A 19 1.349 -9.711 14.160 1.00 4.72 H new ATOM 0 HH21 ARG A 19 -1.474 -11.826 14.566 1.00 4.42 H new ATOM 0 HH22 ARG A 19 -0.088 -11.076 15.367 1.00 4.42 H new ATOM 287 N VAL A 20 -4.311 -8.332 8.197 1.00 0.91 N ATOM 288 CA VAL A 20 -4.965 -8.120 6.917 1.00 0.90 C ATOM 289 C VAL A 20 -4.187 -8.857 5.824 1.00 1.00 C ATOM 290 O VAL A 20 -2.966 -8.734 5.736 1.00 2.01 O ATOM 291 CB VAL A 20 -5.106 -6.622 6.643 1.00 0.84 C ATOM 292 CG1 VAL A 20 -5.988 -6.370 5.418 1.00 0.93 C ATOM 293 CG2 VAL A 20 -5.651 -5.888 7.870 1.00 1.02 C ATOM 0 H VAL A 20 -3.337 -8.033 8.233 1.00 0.91 H new ATOM 0 HA VAL A 20 -5.975 -8.530 6.931 1.00 0.90 H new ATOM 0 HB VAL A 20 -4.113 -6.226 6.430 1.00 0.84 H new ATOM 0 HG11 VAL A 20 -6.072 -5.297 5.245 1.00 0.93 H new ATOM 0 HG12 VAL A 20 -5.541 -6.845 4.544 1.00 0.93 H new ATOM 0 HG13 VAL A 20 -6.979 -6.788 5.591 1.00 0.93 H new ATOM 0 HG21 VAL A 20 -5.741 -4.825 7.648 1.00 1.02 H new ATOM 0 HG22 VAL A 20 -6.631 -6.289 8.128 1.00 1.02 H new ATOM 0 HG23 VAL A 20 -4.969 -6.026 8.709 1.00 1.02 H new ATOM 303 N SER A 21 -4.926 -9.607 5.021 1.00 1.04 N ATOM 304 CA SER A 21 -4.312 -10.450 4.008 1.00 0.96 C ATOM 305 C SER A 21 -4.574 -9.871 2.616 1.00 0.82 C ATOM 306 O SER A 21 -5.692 -9.458 2.312 1.00 0.94 O ATOM 307 CB SER A 21 -4.835 -11.885 4.095 1.00 1.14 C ATOM 308 OG SER A 21 -4.780 -12.393 5.424 1.00 1.64 O ATOM 0 H SER A 21 -5.945 -9.649 5.051 1.00 1.04 H new ATOM 0 HA SER A 21 -3.237 -10.473 4.187 1.00 0.96 H new ATOM 0 HB2 SER A 21 -5.864 -11.918 3.736 1.00 1.14 H new ATOM 0 HB3 SER A 21 -4.247 -12.526 3.437 1.00 1.14 H new ATOM 0 HG SER A 21 -5.124 -13.311 5.438 1.00 1.64 H new ATOM 314 N PHE A 22 -3.525 -9.862 1.807 1.00 0.66 N ATOM 315 CA PHE A 22 -3.653 -9.446 0.421 1.00 0.63 C ATOM 316 C PHE A 22 -3.121 -10.524 -0.526 1.00 0.63 C ATOM 317 O PHE A 22 -1.954 -10.903 -0.447 1.00 0.99 O ATOM 318 CB PHE A 22 -2.813 -8.178 0.254 1.00 0.63 C ATOM 319 CG PHE A 22 -3.039 -7.134 1.350 1.00 0.60 C ATOM 320 CD1 PHE A 22 -4.295 -6.676 1.604 1.00 1.76 C ATOM 321 CD2 PHE A 22 -1.986 -6.663 2.069 1.00 1.55 C ATOM 322 CE1 PHE A 22 -4.505 -5.707 2.620 1.00 1.83 C ATOM 323 CE2 PHE A 22 -2.196 -5.694 3.085 1.00 1.58 C ATOM 324 CZ PHE A 22 -3.451 -5.236 3.340 1.00 0.84 C ATOM 0 H PHE A 22 -2.583 -10.136 2.085 1.00 0.66 H new ATOM 0 HA PHE A 22 -4.702 -9.273 0.180 1.00 0.63 H new ATOM 0 HB2 PHE A 22 -1.758 -8.452 0.240 1.00 0.63 H new ATOM 0 HB3 PHE A 22 -3.039 -7.729 -0.713 1.00 0.63 H new ATOM 0 HD1 PHE A 22 -5.132 -7.050 1.033 1.00 1.76 H new ATOM 0 HD2 PHE A 22 -0.989 -7.026 1.867 1.00 1.55 H new ATOM 0 HE1 PHE A 22 -5.502 -5.344 2.822 1.00 1.83 H new ATOM 0 HE2 PHE A 22 -1.359 -5.320 3.656 1.00 1.58 H new ATOM 0 HZ PHE A 22 -3.611 -4.499 4.113 1.00 0.84 H new ATOM 334 N GLU A 23 -4.003 -10.986 -1.400 1.00 0.61 N ATOM 335 CA GLU A 23 -3.608 -11.925 -2.436 1.00 0.62 C ATOM 336 C GLU A 23 -2.925 -11.187 -3.589 1.00 0.75 C ATOM 337 O GLU A 23 -3.295 -10.060 -3.915 1.00 1.52 O ATOM 338 CB GLU A 23 -4.811 -12.728 -2.936 1.00 0.74 C ATOM 339 CG GLU A 23 -5.743 -11.854 -3.777 1.00 1.83 C ATOM 340 CD GLU A 23 -7.088 -12.547 -4.004 1.00 1.80 C ATOM 341 OE1 GLU A 23 -7.743 -12.864 -2.986 1.00 2.10 O ATOM 342 OE2 GLU A 23 -7.432 -12.745 -5.190 1.00 2.89 O ATOM 0 H GLU A 23 -4.990 -10.728 -1.412 1.00 0.61 H new ATOM 0 HA GLU A 23 -2.895 -12.629 -2.008 1.00 0.62 H new ATOM 0 HB2 GLU A 23 -4.466 -13.574 -3.530 1.00 0.74 H new ATOM 0 HB3 GLU A 23 -5.358 -13.137 -2.087 1.00 0.74 H new ATOM 0 HG2 GLU A 23 -5.902 -10.899 -3.276 1.00 1.83 H new ATOM 0 HG3 GLU A 23 -5.275 -11.637 -4.737 1.00 1.83 H new ATOM 349 N LEU A 24 -1.939 -11.851 -4.174 1.00 0.97 N ATOM 350 CA LEU A 24 -1.147 -11.241 -5.228 1.00 0.97 C ATOM 351 C LEU A 24 -1.239 -12.098 -6.491 1.00 0.99 C ATOM 352 O LEU A 24 -1.042 -13.312 -6.438 1.00 1.17 O ATOM 353 CB LEU A 24 0.287 -11.000 -4.749 1.00 0.96 C ATOM 354 CG LEU A 24 0.434 -10.250 -3.425 1.00 1.13 C ATOM 355 CD1 LEU A 24 1.884 -10.281 -2.935 1.00 1.96 C ATOM 356 CD2 LEU A 24 -0.099 -8.821 -3.542 1.00 2.00 C ATOM 0 H LEU A 24 -1.671 -12.806 -3.938 1.00 0.97 H new ATOM 0 HA LEU A 24 -1.543 -10.258 -5.482 1.00 0.97 H new ATOM 0 HB2 LEU A 24 0.784 -11.965 -4.654 1.00 0.96 H new ATOM 0 HB3 LEU A 24 0.818 -10.442 -5.521 1.00 0.96 H new ATOM 0 HG LEU A 24 -0.171 -10.760 -2.675 1.00 1.13 H new ATOM 0 HD11 LEU A 24 1.961 -9.740 -1.992 1.00 1.96 H new ATOM 0 HD12 LEU A 24 2.196 -11.315 -2.787 1.00 1.96 H new ATOM 0 HD13 LEU A 24 2.529 -9.810 -3.677 1.00 1.96 H new ATOM 0 HD21 LEU A 24 0.018 -8.310 -2.586 1.00 2.00 H new ATOM 0 HD22 LEU A 24 0.460 -8.286 -4.310 1.00 2.00 H new ATOM 0 HD23 LEU A 24 -1.154 -8.847 -3.813 1.00 2.00 H new ATOM 368 N PHE A 25 -1.537 -11.435 -7.599 1.00 0.97 N ATOM 369 CA PHE A 25 -1.631 -12.117 -8.878 1.00 0.99 C ATOM 370 C PHE A 25 -0.281 -12.123 -9.598 1.00 0.92 C ATOM 371 O PHE A 25 -0.139 -11.521 -10.661 1.00 1.15 O ATOM 372 CB PHE A 25 -2.645 -11.344 -9.724 1.00 1.11 C ATOM 373 CG PHE A 25 -4.025 -11.214 -9.077 1.00 0.98 C ATOM 374 CD1 PHE A 25 -4.802 -12.317 -8.903 1.00 2.48 C ATOM 375 CD2 PHE A 25 -4.476 -9.995 -8.675 1.00 1.54 C ATOM 376 CE1 PHE A 25 -6.083 -12.197 -8.304 1.00 2.42 C ATOM 377 CE2 PHE A 25 -5.757 -9.875 -8.075 1.00 1.64 C ATOM 378 CZ PHE A 25 -6.533 -10.978 -7.901 1.00 0.99 C ATOM 0 H PHE A 25 -1.717 -10.432 -7.637 1.00 0.97 H new ATOM 0 HA PHE A 25 -1.934 -13.153 -8.726 1.00 0.99 H new ATOM 0 HB2 PHE A 25 -2.252 -10.347 -9.922 1.00 1.11 H new ATOM 0 HB3 PHE A 25 -2.752 -11.841 -10.688 1.00 1.11 H new ATOM 0 HD1 PHE A 25 -4.444 -13.285 -9.221 1.00 2.48 H new ATOM 0 HD2 PHE A 25 -3.860 -9.119 -8.812 1.00 1.54 H new ATOM 0 HE1 PHE A 25 -6.700 -13.073 -8.168 1.00 2.42 H new ATOM 0 HE2 PHE A 25 -6.115 -8.907 -7.757 1.00 1.64 H new ATOM 0 HZ PHE A 25 -7.507 -10.886 -7.443 1.00 0.99 H new ATOM 388 N ALA A 26 0.675 -12.809 -8.990 1.00 0.68 N ATOM 389 CA ALA A 26 2.044 -12.773 -9.473 1.00 0.64 C ATOM 390 C ALA A 26 2.110 -13.417 -10.859 1.00 0.81 C ATOM 391 O ALA A 26 3.087 -13.236 -11.585 1.00 1.01 O ATOM 392 CB ALA A 26 2.961 -13.467 -8.463 1.00 0.71 C ATOM 0 H ALA A 26 0.528 -13.393 -8.167 1.00 0.68 H new ATOM 0 HA ALA A 26 2.388 -11.743 -9.572 1.00 0.64 H new ATOM 0 HB1 ALA A 26 3.988 -13.440 -8.826 1.00 0.71 H new ATOM 0 HB2 ALA A 26 2.901 -12.953 -7.504 1.00 0.71 H new ATOM 0 HB3 ALA A 26 2.647 -14.503 -8.339 1.00 0.71 H new ATOM 398 N ASP A 27 1.059 -14.153 -11.185 1.00 0.94 N ATOM 399 CA ASP A 27 1.010 -14.874 -12.446 1.00 1.16 C ATOM 400 C ASP A 27 1.427 -13.937 -13.580 1.00 1.59 C ATOM 401 O ASP A 27 2.342 -14.246 -14.342 1.00 2.35 O ATOM 402 CB ASP A 27 -0.405 -15.374 -12.741 1.00 1.29 C ATOM 403 CG ASP A 27 -0.558 -16.141 -14.055 1.00 1.60 C ATOM 404 OD1 ASP A 27 -0.291 -17.362 -14.034 1.00 2.66 O ATOM 405 OD2 ASP A 27 -0.939 -15.489 -15.052 1.00 2.13 O ATOM 0 H ASP A 27 0.233 -14.266 -10.597 1.00 0.94 H new ATOM 0 HA ASP A 27 1.685 -15.727 -12.373 1.00 1.16 H new ATOM 0 HB2 ASP A 27 -0.725 -16.018 -11.922 1.00 1.29 H new ATOM 0 HB3 ASP A 27 -1.081 -14.519 -12.756 1.00 1.29 H new ATOM 410 N LYS A 28 0.737 -12.808 -13.657 1.00 1.41 N ATOM 411 CA LYS A 28 0.841 -11.945 -14.821 1.00 1.78 C ATOM 412 C LYS A 28 1.601 -10.673 -14.440 1.00 1.31 C ATOM 413 O LYS A 28 1.874 -9.830 -15.294 1.00 1.23 O ATOM 414 CB LYS A 28 -0.543 -11.679 -15.416 1.00 2.34 C ATOM 415 CG LYS A 28 -1.362 -10.756 -14.512 1.00 1.87 C ATOM 416 CD LYS A 28 -1.336 -9.316 -15.030 1.00 3.77 C ATOM 417 CE LYS A 28 -2.242 -8.415 -14.190 1.00 4.73 C ATOM 418 NZ LYS A 28 -1.792 -7.007 -14.270 1.00 6.90 N ATOM 0 H LYS A 28 0.104 -12.471 -12.932 1.00 1.41 H new ATOM 0 HA LYS A 28 1.413 -12.435 -15.609 1.00 1.78 H new ATOM 0 HB2 LYS A 28 -0.438 -11.227 -16.402 1.00 2.34 H new ATOM 0 HB3 LYS A 28 -1.071 -12.623 -15.552 1.00 2.34 H new ATOM 0 HG2 LYS A 28 -2.392 -11.110 -14.462 1.00 1.87 H new ATOM 0 HG3 LYS A 28 -0.965 -10.789 -13.498 1.00 1.87 H new ATOM 0 HD2 LYS A 28 -0.315 -8.935 -15.005 1.00 3.77 H new ATOM 0 HD3 LYS A 28 -1.659 -9.294 -16.071 1.00 3.77 H new ATOM 0 HE2 LYS A 28 -3.271 -8.495 -14.542 1.00 4.73 H new ATOM 0 HE3 LYS A 28 -2.233 -8.747 -13.152 1.00 4.73 H new ATOM 0 HZ1 LYS A 28 -2.612 -6.389 -14.435 1.00 6.90 H new ATOM 0 HZ2 LYS A 28 -1.330 -6.739 -13.378 1.00 6.90 H new ATOM 0 HZ3 LYS A 28 -1.117 -6.902 -15.054 1.00 6.90 H new ATOM 432 N VAL A 29 1.922 -10.574 -13.159 1.00 1.15 N ATOM 433 CA VAL A 29 2.791 -9.511 -12.684 1.00 0.96 C ATOM 434 C VAL A 29 3.710 -10.060 -11.591 1.00 0.91 C ATOM 435 O VAL A 29 3.471 -9.837 -10.405 1.00 0.87 O ATOM 436 CB VAL A 29 1.953 -8.318 -12.218 1.00 0.89 C ATOM 437 CG1 VAL A 29 1.765 -7.306 -13.350 1.00 1.01 C ATOM 438 CG2 VAL A 29 0.604 -8.779 -11.664 1.00 1.15 C ATOM 0 H VAL A 29 1.596 -11.213 -12.434 1.00 1.15 H new ATOM 0 HA VAL A 29 3.427 -9.148 -13.491 1.00 0.96 H new ATOM 0 HB VAL A 29 2.494 -7.822 -11.412 1.00 0.89 H new ATOM 0 HG11 VAL A 29 1.166 -6.468 -12.993 1.00 1.01 H new ATOM 0 HG12 VAL A 29 2.739 -6.942 -13.678 1.00 1.01 H new ATOM 0 HG13 VAL A 29 1.256 -7.786 -14.186 1.00 1.01 H new ATOM 0 HG21 VAL A 29 0.028 -7.912 -11.340 1.00 1.15 H new ATOM 0 HG22 VAL A 29 0.054 -9.310 -12.441 1.00 1.15 H new ATOM 0 HG23 VAL A 29 0.767 -9.444 -10.816 1.00 1.15 H new ATOM 448 N PRO A 30 4.769 -10.785 -12.040 1.00 1.05 N ATOM 449 CA PRO A 30 5.722 -11.371 -11.112 1.00 1.11 C ATOM 450 C PRO A 30 6.654 -10.303 -10.536 1.00 1.26 C ATOM 451 O PRO A 30 6.978 -10.331 -9.351 1.00 2.45 O ATOM 452 CB PRO A 30 6.458 -12.427 -11.920 1.00 1.33 C ATOM 453 CG PRO A 30 6.218 -12.079 -13.380 1.00 1.48 C ATOM 454 CD PRO A 30 5.086 -11.066 -13.437 1.00 1.30 C ATOM 0 HA PRO A 30 5.242 -11.817 -10.241 1.00 1.11 H new ATOM 0 HB2 PRO A 30 7.523 -12.424 -11.688 1.00 1.33 H new ATOM 0 HB3 PRO A 30 6.085 -13.425 -11.690 1.00 1.33 H new ATOM 0 HG2 PRO A 30 7.122 -11.667 -13.828 1.00 1.48 H new ATOM 0 HG3 PRO A 30 5.960 -12.973 -13.948 1.00 1.48 H new ATOM 0 HD2 PRO A 30 5.390 -10.161 -13.964 1.00 1.30 H new ATOM 0 HD3 PRO A 30 4.222 -11.467 -13.966 1.00 1.30 H new ATOM 462 N LYS A 31 7.057 -9.385 -11.403 1.00 0.92 N ATOM 463 CA LYS A 31 8.014 -8.362 -11.018 1.00 0.91 C ATOM 464 C LYS A 31 7.394 -7.470 -9.941 1.00 0.79 C ATOM 465 O LYS A 31 8.088 -7.013 -9.034 1.00 0.90 O ATOM 466 CB LYS A 31 8.501 -7.593 -12.249 1.00 1.06 C ATOM 467 CG LYS A 31 7.363 -6.784 -12.874 1.00 2.45 C ATOM 468 CD LYS A 31 7.882 -5.891 -14.004 1.00 2.88 C ATOM 469 CE LYS A 31 8.645 -6.712 -15.045 1.00 3.21 C ATOM 470 NZ LYS A 31 8.753 -5.964 -16.317 1.00 4.37 N ATOM 0 H LYS A 31 6.738 -9.329 -12.370 1.00 0.92 H new ATOM 0 HA LYS A 31 8.904 -8.817 -10.583 1.00 0.91 H new ATOM 0 HB2 LYS A 31 9.315 -6.925 -11.967 1.00 1.06 H new ATOM 0 HB3 LYS A 31 8.902 -8.291 -12.984 1.00 1.06 H new ATOM 0 HG2 LYS A 31 6.601 -7.460 -13.261 1.00 2.45 H new ATOM 0 HG3 LYS A 31 6.886 -6.170 -12.110 1.00 2.45 H new ATOM 0 HD2 LYS A 31 7.046 -5.379 -14.481 1.00 2.88 H new ATOM 0 HD3 LYS A 31 8.535 -5.121 -13.593 1.00 2.88 H new ATOM 0 HE2 LYS A 31 9.641 -6.950 -14.671 1.00 3.21 H new ATOM 0 HE3 LYS A 31 8.134 -7.659 -15.216 1.00 3.21 H new ATOM 0 HZ1 LYS A 31 9.317 -6.514 -16.996 1.00 4.37 H new ATOM 0 HZ2 LYS A 31 7.802 -5.803 -16.707 1.00 4.37 H new ATOM 0 HZ3 LYS A 31 9.216 -5.049 -16.143 1.00 4.37 H new ATOM 484 N THR A 32 6.095 -7.248 -10.076 1.00 0.77 N ATOM 485 CA THR A 32 5.376 -6.416 -9.128 1.00 0.82 C ATOM 486 C THR A 32 5.231 -7.139 -7.787 1.00 0.77 C ATOM 487 O THR A 32 5.483 -6.555 -6.733 1.00 0.80 O ATOM 488 CB THR A 32 4.035 -6.032 -9.758 1.00 1.05 C ATOM 489 OG1 THR A 32 4.370 -5.675 -11.097 1.00 1.11 O ATOM 490 CG2 THR A 32 3.455 -4.747 -9.164 1.00 1.23 C ATOM 0 H THR A 32 5.522 -7.630 -10.828 1.00 0.77 H new ATOM 0 HA THR A 32 5.925 -5.500 -8.911 1.00 0.82 H new ATOM 0 HB THR A 32 3.324 -6.847 -9.623 1.00 1.05 H new ATOM 0 HG1 THR A 32 3.558 -5.414 -11.579 1.00 1.11 H new ATOM 0 HG21 THR A 32 2.504 -4.520 -9.646 1.00 1.23 H new ATOM 0 HG22 THR A 32 3.297 -4.880 -8.094 1.00 1.23 H new ATOM 0 HG23 THR A 32 4.150 -3.924 -9.328 1.00 1.23 H new ATOM 498 N ALA A 33 4.826 -8.398 -7.869 1.00 0.79 N ATOM 499 CA ALA A 33 4.582 -9.185 -6.673 1.00 0.82 C ATOM 500 C ALA A 33 5.896 -9.368 -5.911 1.00 0.77 C ATOM 501 O ALA A 33 5.914 -9.337 -4.682 1.00 0.81 O ATOM 502 CB ALA A 33 3.943 -10.520 -7.062 1.00 0.93 C ATOM 0 H ALA A 33 4.661 -8.892 -8.746 1.00 0.79 H new ATOM 0 HA ALA A 33 3.886 -8.671 -6.011 1.00 0.82 H new ATOM 0 HB1 ALA A 33 3.760 -11.111 -6.165 1.00 0.93 H new ATOM 0 HB2 ALA A 33 2.999 -10.336 -7.574 1.00 0.93 H new ATOM 0 HB3 ALA A 33 4.615 -11.066 -7.725 1.00 0.93 H new ATOM 508 N GLU A 34 6.963 -9.556 -6.672 1.00 0.75 N ATOM 509 CA GLU A 34 8.271 -9.794 -6.083 1.00 0.80 C ATOM 510 C GLU A 34 8.753 -8.545 -5.342 1.00 0.77 C ATOM 511 O GLU A 34 9.113 -8.615 -4.168 1.00 0.77 O ATOM 512 CB GLU A 34 9.282 -10.224 -7.147 1.00 0.97 C ATOM 513 CG GLU A 34 10.629 -10.573 -6.514 1.00 1.11 C ATOM 514 CD GLU A 34 11.685 -10.850 -7.587 1.00 2.22 C ATOM 515 OE1 GLU A 34 12.141 -9.861 -8.200 1.00 3.54 O ATOM 516 OE2 GLU A 34 12.011 -12.042 -7.769 1.00 3.01 O ATOM 0 H GLU A 34 6.950 -9.549 -7.692 1.00 0.75 H new ATOM 0 HA GLU A 34 8.182 -10.609 -5.364 1.00 0.80 H new ATOM 0 HB2 GLU A 34 8.898 -11.087 -7.691 1.00 0.97 H new ATOM 0 HB3 GLU A 34 9.414 -9.422 -7.873 1.00 0.97 H new ATOM 0 HG2 GLU A 34 10.959 -9.752 -5.877 1.00 1.11 H new ATOM 0 HG3 GLU A 34 10.518 -11.448 -5.874 1.00 1.11 H new ATOM 523 N ASN A 35 8.746 -7.431 -6.058 1.00 0.92 N ATOM 524 CA ASN A 35 9.220 -6.177 -5.497 1.00 1.08 C ATOM 525 C ASN A 35 8.463 -5.885 -4.200 1.00 1.15 C ATOM 526 O ASN A 35 9.046 -5.401 -3.232 1.00 1.70 O ATOM 527 CB ASN A 35 8.974 -5.014 -6.460 1.00 1.33 C ATOM 528 CG ASN A 35 10.177 -4.799 -7.381 1.00 2.60 C ATOM 529 OD1 ASN A 35 10.818 -3.762 -7.376 1.00 3.23 O ATOM 530 ND2 ASN A 35 10.447 -5.836 -8.168 1.00 3.92 N ATOM 0 H ASN A 35 8.419 -7.370 -7.022 1.00 0.92 H new ATOM 0 HA ASN A 35 10.290 -6.273 -5.314 1.00 1.08 H new ATOM 0 HB2 ASN A 35 8.085 -5.215 -7.058 1.00 1.33 H new ATOM 0 HB3 ASN A 35 8.778 -4.104 -5.893 1.00 1.33 H new ATOM 0 HD21 ASN A 35 11.232 -5.792 -8.818 1.00 3.92 H new ATOM 0 HD22 ASN A 35 9.869 -6.675 -8.122 1.00 3.92 H new ATOM 537 N PHE A 36 7.174 -6.193 -4.223 1.00 1.02 N ATOM 538 CA PHE A 36 6.330 -5.967 -3.063 1.00 1.08 C ATOM 539 C PHE A 36 6.556 -7.046 -2.001 1.00 0.96 C ATOM 540 O PHE A 36 6.480 -6.771 -0.804 1.00 1.04 O ATOM 541 CB PHE A 36 4.879 -6.038 -3.544 1.00 1.14 C ATOM 542 CG PHE A 36 3.847 -5.763 -2.449 1.00 1.39 C ATOM 543 CD1 PHE A 36 3.867 -4.581 -1.776 1.00 2.15 C ATOM 544 CD2 PHE A 36 2.907 -6.700 -2.149 1.00 2.46 C ATOM 545 CE1 PHE A 36 2.909 -4.325 -0.760 1.00 2.73 C ATOM 546 CE2 PHE A 36 1.948 -6.444 -1.133 1.00 3.16 C ATOM 547 CZ PHE A 36 1.970 -5.262 -0.460 1.00 2.92 C ATOM 0 H PHE A 36 6.694 -6.597 -5.027 1.00 1.02 H new ATOM 0 HA PHE A 36 6.564 -5.001 -2.616 1.00 1.08 H new ATOM 0 HB2 PHE A 36 4.739 -5.318 -4.350 1.00 1.14 H new ATOM 0 HB3 PHE A 36 4.694 -7.027 -3.963 1.00 1.14 H new ATOM 0 HD1 PHE A 36 4.612 -3.837 -2.015 1.00 2.15 H new ATOM 0 HD2 PHE A 36 2.890 -7.638 -2.683 1.00 2.46 H new ATOM 0 HE1 PHE A 36 2.926 -3.387 -0.226 1.00 2.73 H new ATOM 0 HE2 PHE A 36 1.202 -7.187 -0.895 1.00 3.16 H new ATOM 0 HZ PHE A 36 1.241 -5.068 0.313 1.00 2.92 H new ATOM 557 N ARG A 37 6.830 -8.252 -2.478 1.00 0.92 N ATOM 558 CA ARG A 37 7.086 -9.369 -1.586 1.00 0.99 C ATOM 559 C ARG A 37 8.273 -9.058 -0.672 1.00 1.04 C ATOM 560 O ARG A 37 8.243 -9.365 0.518 1.00 1.19 O ATOM 561 CB ARG A 37 7.378 -10.647 -2.373 1.00 1.23 C ATOM 562 CG ARG A 37 7.582 -11.837 -1.432 1.00 1.49 C ATOM 563 CD ARG A 37 9.071 -12.118 -1.219 1.00 2.87 C ATOM 564 NE ARG A 37 9.250 -13.432 -0.564 1.00 3.79 N ATOM 565 CZ ARG A 37 9.292 -14.600 -1.221 1.00 4.27 C ATOM 566 NH1 ARG A 37 9.093 -14.630 -2.547 1.00 4.13 N ATOM 567 NH2 ARG A 37 9.533 -15.737 -0.554 1.00 5.65 N ATOM 0 H ARG A 37 6.880 -8.479 -3.471 1.00 0.92 H new ATOM 0 HA ARG A 37 6.191 -9.524 -0.984 1.00 0.99 H new ATOM 0 HB2 ARG A 37 6.553 -10.855 -3.054 1.00 1.23 H new ATOM 0 HB3 ARG A 37 8.269 -10.506 -2.985 1.00 1.23 H new ATOM 0 HG2 ARG A 37 7.106 -11.633 -0.473 1.00 1.49 H new ATOM 0 HG3 ARG A 37 7.097 -12.721 -1.847 1.00 1.49 H new ATOM 0 HD2 ARG A 37 9.592 -12.106 -2.176 1.00 2.87 H new ATOM 0 HD3 ARG A 37 9.513 -11.333 -0.605 1.00 2.87 H new ATOM 0 HE ARG A 37 9.348 -13.451 0.451 1.00 3.79 H new ATOM 0 HH11 ARG A 37 8.910 -13.765 -3.055 1.00 4.13 H new ATOM 0 HH12 ARG A 37 9.125 -15.518 -3.048 1.00 4.13 H new ATOM 0 HH21 ARG A 37 9.685 -15.714 0.454 1.00 5.65 H new ATOM 0 HH22 ARG A 37 9.565 -16.625 -1.055 1.00 5.65 H new ATOM 581 N ALA A 38 9.293 -8.452 -1.265 1.00 1.04 N ATOM 582 CA ALA A 38 10.464 -8.044 -0.509 1.00 1.31 C ATOM 583 C ALA A 38 10.045 -7.046 0.573 1.00 1.36 C ATOM 584 O ALA A 38 10.548 -7.093 1.694 1.00 1.65 O ATOM 585 CB ALA A 38 11.511 -7.466 -1.462 1.00 1.45 C ATOM 0 H ALA A 38 9.331 -8.234 -2.261 1.00 1.04 H new ATOM 0 HA ALA A 38 10.916 -8.901 -0.009 1.00 1.31 H new ATOM 0 HB1 ALA A 38 12.390 -7.160 -0.895 1.00 1.45 H new ATOM 0 HB2 ALA A 38 11.796 -8.224 -2.192 1.00 1.45 H new ATOM 0 HB3 ALA A 38 11.094 -6.602 -1.980 1.00 1.45 H new ATOM 591 N LEU A 39 9.128 -6.166 0.197 1.00 1.23 N ATOM 592 CA LEU A 39 8.703 -5.102 1.091 1.00 1.51 C ATOM 593 C LEU A 39 7.770 -5.679 2.156 1.00 1.73 C ATOM 594 O LEU A 39 7.497 -5.031 3.166 1.00 2.32 O ATOM 595 CB LEU A 39 8.089 -3.949 0.295 1.00 1.54 C ATOM 596 CG LEU A 39 9.041 -3.194 -0.637 1.00 1.42 C ATOM 597 CD1 LEU A 39 8.282 -2.173 -1.487 1.00 1.63 C ATOM 598 CD2 LEU A 39 10.182 -2.549 0.151 1.00 1.70 C ATOM 0 H LEU A 39 8.668 -6.168 -0.713 1.00 1.23 H new ATOM 0 HA LEU A 39 9.560 -4.678 1.614 1.00 1.51 H new ATOM 0 HB2 LEU A 39 7.266 -4.343 -0.301 1.00 1.54 H new ATOM 0 HB3 LEU A 39 7.660 -3.236 0.999 1.00 1.54 H new ATOM 0 HG LEU A 39 9.489 -3.913 -1.323 1.00 1.42 H new ATOM 0 HD11 LEU A 39 8.982 -1.651 -2.140 1.00 1.63 H new ATOM 0 HD12 LEU A 39 7.535 -2.687 -2.092 1.00 1.63 H new ATOM 0 HD13 LEU A 39 7.787 -1.453 -0.835 1.00 1.63 H new ATOM 0 HD21 LEU A 39 10.844 -2.019 -0.534 1.00 1.70 H new ATOM 0 HD22 LEU A 39 9.772 -1.846 0.876 1.00 1.70 H new ATOM 0 HD23 LEU A 39 10.745 -3.322 0.674 1.00 1.70 H new ATOM 610 N SER A 40 7.304 -6.892 1.896 1.00 1.36 N ATOM 611 CA SER A 40 6.370 -7.545 2.798 1.00 1.61 C ATOM 612 C SER A 40 7.134 -8.396 3.814 1.00 1.71 C ATOM 613 O SER A 40 6.900 -8.290 5.017 1.00 2.04 O ATOM 614 CB SER A 40 5.372 -8.409 2.025 1.00 1.68 C ATOM 615 OG SER A 40 4.608 -7.643 1.097 1.00 3.07 O ATOM 0 H SER A 40 7.556 -7.440 1.073 1.00 1.36 H new ATOM 0 HA SER A 40 5.809 -6.775 3.327 1.00 1.61 H new ATOM 0 HB2 SER A 40 5.909 -9.194 1.492 1.00 1.68 H new ATOM 0 HB3 SER A 40 4.700 -8.903 2.727 1.00 1.68 H new ATOM 0 HG SER A 40 5.197 -7.298 0.394 1.00 3.07 H new ATOM 621 N THR A 41 8.030 -9.221 3.293 1.00 1.57 N ATOM 622 CA THR A 41 8.760 -10.159 4.129 1.00 1.80 C ATOM 623 C THR A 41 9.887 -9.444 4.876 1.00 2.22 C ATOM 624 O THR A 41 10.249 -9.836 5.984 1.00 3.18 O ATOM 625 CB THR A 41 9.250 -11.303 3.240 1.00 1.70 C ATOM 626 OG1 THR A 41 9.693 -12.295 4.162 1.00 2.15 O ATOM 627 CG2 THR A 41 10.510 -10.936 2.455 1.00 2.05 C ATOM 0 H THR A 41 8.267 -9.259 2.302 1.00 1.57 H new ATOM 0 HA THR A 41 8.118 -10.581 4.902 1.00 1.80 H new ATOM 0 HB THR A 41 8.459 -11.586 2.546 1.00 1.70 H new ATOM 0 HG1 THR A 41 10.026 -13.074 3.669 1.00 2.15 H new ATOM 0 HG21 THR A 41 10.815 -11.783 1.840 1.00 2.05 H new ATOM 0 HG22 THR A 41 10.303 -10.079 1.815 1.00 2.05 H new ATOM 0 HG23 THR A 41 11.311 -10.685 3.150 1.00 2.05 H new ATOM 635 N GLY A 42 10.410 -8.406 4.238 1.00 1.86 N ATOM 636 CA GLY A 42 11.415 -7.568 4.871 1.00 2.49 C ATOM 637 C GLY A 42 12.812 -8.173 4.713 1.00 2.26 C ATOM 638 O GLY A 42 13.712 -7.530 4.175 1.00 2.46 O ATOM 0 H GLY A 42 10.157 -8.127 3.290 1.00 1.86 H new ATOM 0 HA2 GLY A 42 11.394 -6.572 4.429 1.00 2.49 H new ATOM 0 HA3 GLY A 42 11.183 -7.452 5.930 1.00 2.49 H new ATOM 642 N GLU A 43 12.949 -9.400 5.192 1.00 2.64 N ATOM 643 CA GLU A 43 14.236 -10.074 5.168 1.00 3.06 C ATOM 644 C GLU A 43 14.637 -10.401 3.728 1.00 3.15 C ATOM 645 O GLU A 43 14.492 -11.539 3.283 1.00 4.38 O ATOM 646 CB GLU A 43 14.210 -11.337 6.031 1.00 4.24 C ATOM 647 CG GLU A 43 15.622 -11.887 6.239 1.00 4.92 C ATOM 648 CD GLU A 43 16.456 -10.942 7.107 1.00 6.31 C ATOM 649 OE1 GLU A 43 16.237 -10.959 8.338 1.00 7.38 O ATOM 650 OE2 GLU A 43 17.294 -10.224 6.520 1.00 6.83 O ATOM 0 H GLU A 43 12.190 -9.946 5.599 1.00 2.64 H new ATOM 0 HA GLU A 43 14.984 -9.402 5.589 1.00 3.06 H new ATOM 0 HB2 GLU A 43 13.757 -11.113 6.997 1.00 4.24 H new ATOM 0 HB3 GLU A 43 13.587 -12.094 5.555 1.00 4.24 H new ATOM 0 HG2 GLU A 43 15.568 -12.868 6.711 1.00 4.92 H new ATOM 0 HG3 GLU A 43 16.109 -12.024 5.273 1.00 4.92 H new ATOM 657 N LYS A 44 15.133 -9.384 3.040 1.00 2.54 N ATOM 658 CA LYS A 44 15.346 -9.483 1.606 1.00 3.09 C ATOM 659 C LYS A 44 15.583 -8.084 1.032 1.00 3.16 C ATOM 660 O LYS A 44 16.488 -7.887 0.223 1.00 3.67 O ATOM 661 CB LYS A 44 14.187 -10.232 0.943 1.00 4.18 C ATOM 662 CG LYS A 44 14.146 -9.955 -0.562 1.00 4.24 C ATOM 663 CD LYS A 44 15.361 -10.565 -1.264 1.00 3.88 C ATOM 664 CE LYS A 44 15.825 -9.681 -2.423 1.00 2.96 C ATOM 665 NZ LYS A 44 16.833 -10.388 -3.243 1.00 3.91 N ATOM 0 H LYS A 44 15.394 -8.487 3.449 1.00 2.54 H new ATOM 0 HA LYS A 44 16.239 -10.071 1.393 1.00 3.09 H new ATOM 0 HB2 LYS A 44 14.294 -11.303 1.117 1.00 4.18 H new ATOM 0 HB3 LYS A 44 13.245 -9.928 1.398 1.00 4.18 H new ATOM 0 HG2 LYS A 44 13.231 -10.368 -0.987 1.00 4.24 H new ATOM 0 HG3 LYS A 44 14.122 -8.879 -0.737 1.00 4.24 H new ATOM 0 HD2 LYS A 44 16.174 -10.690 -0.549 1.00 3.88 H new ATOM 0 HD3 LYS A 44 15.110 -11.558 -1.637 1.00 3.88 H new ATOM 0 HE2 LYS A 44 14.971 -9.406 -3.043 1.00 2.96 H new ATOM 0 HE3 LYS A 44 16.248 -8.755 -2.035 1.00 2.96 H new ATOM 0 HZ1 LYS A 44 17.137 -9.774 -4.025 1.00 3.91 H new ATOM 0 HZ2 LYS A 44 17.654 -10.629 -2.652 1.00 3.91 H new ATOM 0 HZ3 LYS A 44 16.417 -11.260 -3.629 1.00 3.91 H new ATOM 679 N GLY A 45 14.753 -7.150 1.473 1.00 3.17 N ATOM 680 CA GLY A 45 14.825 -5.788 0.971 1.00 4.02 C ATOM 681 C GLY A 45 14.013 -4.836 1.853 1.00 3.77 C ATOM 682 O GLY A 45 13.397 -3.896 1.354 1.00 5.17 O ATOM 0 H GLY A 45 14.028 -7.309 2.172 1.00 3.17 H new ATOM 0 HA2 GLY A 45 15.865 -5.463 0.939 1.00 4.02 H new ATOM 0 HA3 GLY A 45 14.449 -5.753 -0.051 1.00 4.02 H new ATOM 686 N PHE A 46 14.040 -5.113 3.148 1.00 2.30 N ATOM 687 CA PHE A 46 13.422 -4.222 4.116 1.00 2.03 C ATOM 688 C PHE A 46 12.023 -3.802 3.660 1.00 1.95 C ATOM 689 O PHE A 46 11.482 -4.363 2.708 1.00 2.21 O ATOM 690 CB PHE A 46 14.309 -2.979 4.210 1.00 1.82 C ATOM 691 CG PHE A 46 14.647 -2.352 2.857 1.00 1.62 C ATOM 692 CD1 PHE A 46 13.782 -1.476 2.278 1.00 2.35 C ATOM 693 CD2 PHE A 46 15.812 -2.670 2.231 1.00 2.10 C ATOM 694 CE1 PHE A 46 14.096 -0.894 1.022 1.00 2.57 C ATOM 695 CE2 PHE A 46 16.126 -2.088 0.975 1.00 2.35 C ATOM 696 CZ PHE A 46 15.262 -1.212 0.396 1.00 2.20 C ATOM 0 H PHE A 46 14.480 -5.941 3.550 1.00 2.30 H new ATOM 0 HA PHE A 46 13.325 -4.727 5.077 1.00 2.03 H new ATOM 0 HB2 PHE A 46 13.809 -2.234 4.829 1.00 1.82 H new ATOM 0 HB3 PHE A 46 15.236 -3.245 4.718 1.00 1.82 H new ATOM 0 HD1 PHE A 46 12.856 -1.223 2.774 1.00 2.35 H new ATOM 0 HD2 PHE A 46 16.499 -3.366 2.690 1.00 2.10 H new ATOM 0 HE1 PHE A 46 13.409 -0.198 0.563 1.00 2.57 H new ATOM 0 HE2 PHE A 46 17.051 -2.341 0.479 1.00 2.35 H new ATOM 0 HZ PHE A 46 15.501 -0.769 -0.560 1.00 2.20 H new ATOM 706 N GLY A 47 11.476 -2.820 4.361 1.00 1.96 N ATOM 707 CA GLY A 47 10.240 -2.191 3.931 1.00 2.45 C ATOM 708 C GLY A 47 9.310 -1.938 5.120 1.00 2.16 C ATOM 709 O GLY A 47 9.521 -1.001 5.889 1.00 3.13 O ATOM 0 H GLY A 47 11.867 -2.444 5.225 1.00 1.96 H new ATOM 0 HA2 GLY A 47 10.462 -1.248 3.432 1.00 2.45 H new ATOM 0 HA3 GLY A 47 9.739 -2.827 3.202 1.00 2.45 H new ATOM 713 N TYR A 48 8.302 -2.790 5.234 1.00 1.38 N ATOM 714 CA TYR A 48 7.177 -2.506 6.109 1.00 1.53 C ATOM 715 C TYR A 48 7.656 -2.099 7.503 1.00 1.33 C ATOM 716 O TYR A 48 7.023 -1.281 8.167 1.00 2.34 O ATOM 717 CB TYR A 48 6.384 -3.810 6.214 1.00 1.80 C ATOM 718 CG TYR A 48 7.084 -4.899 7.029 1.00 3.61 C ATOM 719 CD1 TYR A 48 6.945 -4.929 8.402 1.00 5.24 C ATOM 720 CD2 TYR A 48 7.853 -5.851 6.392 1.00 4.76 C ATOM 721 CE1 TYR A 48 7.603 -5.954 9.170 1.00 7.52 C ATOM 722 CE2 TYR A 48 8.511 -6.876 7.160 1.00 7.00 C ATOM 723 CZ TYR A 48 8.354 -6.878 8.511 1.00 8.13 C ATOM 724 OH TYR A 48 8.976 -7.846 9.236 1.00 10.43 O ATOM 0 H TYR A 48 8.241 -3.677 4.735 1.00 1.38 H new ATOM 0 HA TYR A 48 6.580 -1.685 5.712 1.00 1.53 H new ATOM 0 HB2 TYR A 48 5.415 -3.599 6.666 1.00 1.80 H new ATOM 0 HB3 TYR A 48 6.192 -4.189 5.210 1.00 1.80 H new ATOM 0 HD1 TYR A 48 6.343 -4.184 8.900 1.00 5.24 H new ATOM 0 HD2 TYR A 48 7.961 -5.827 5.318 1.00 4.76 H new ATOM 0 HE1 TYR A 48 7.503 -5.989 10.245 1.00 7.52 H new ATOM 0 HE2 TYR A 48 9.116 -7.627 6.674 1.00 7.00 H new ATOM 0 HH TYR A 48 9.475 -8.436 8.634 1.00 10.43 H new ATOM 734 N LYS A 49 8.770 -2.692 7.907 1.00 1.03 N ATOM 735 CA LYS A 49 9.293 -2.471 9.245 1.00 1.17 C ATOM 736 C LYS A 49 9.818 -1.038 9.352 1.00 1.58 C ATOM 737 O LYS A 49 10.999 -0.787 9.122 1.00 2.03 O ATOM 738 CB LYS A 49 10.335 -3.534 9.595 1.00 1.34 C ATOM 739 CG LYS A 49 10.996 -3.233 10.942 1.00 2.04 C ATOM 740 CD LYS A 49 9.945 -3.009 12.030 1.00 2.48 C ATOM 741 CE LYS A 49 9.028 -4.227 12.166 1.00 2.27 C ATOM 742 NZ LYS A 49 8.151 -4.087 13.350 1.00 3.06 N ATOM 0 H LYS A 49 9.325 -3.325 7.331 1.00 1.03 H new ATOM 0 HA LYS A 49 8.501 -2.578 9.986 1.00 1.17 H new ATOM 0 HB2 LYS A 49 9.861 -4.515 9.630 1.00 1.34 H new ATOM 0 HB3 LYS A 49 11.095 -3.574 8.814 1.00 1.34 H new ATOM 0 HG2 LYS A 49 11.647 -4.060 11.225 1.00 2.04 H new ATOM 0 HG3 LYS A 49 11.626 -2.348 10.852 1.00 2.04 H new ATOM 0 HD2 LYS A 49 10.438 -2.813 12.982 1.00 2.48 H new ATOM 0 HD3 LYS A 49 9.351 -2.127 11.791 1.00 2.48 H new ATOM 0 HE2 LYS A 49 8.421 -4.334 11.267 1.00 2.27 H new ATOM 0 HE3 LYS A 49 9.628 -5.133 12.256 1.00 2.27 H new ATOM 0 HZ1 LYS A 49 7.281 -4.638 13.205 1.00 3.06 H new ATOM 0 HZ2 LYS A 49 8.647 -4.439 14.193 1.00 3.06 H new ATOM 0 HZ3 LYS A 49 7.907 -3.085 13.485 1.00 3.06 H new ATOM 756 N GLY A 50 8.913 -0.135 9.700 1.00 1.72 N ATOM 757 CA GLY A 50 9.286 1.252 9.922 1.00 2.15 C ATOM 758 C GLY A 50 8.727 2.153 8.818 1.00 2.43 C ATOM 759 O GLY A 50 9.395 3.086 8.376 1.00 3.46 O ATOM 0 H GLY A 50 7.922 -0.337 9.834 1.00 1.72 H new ATOM 0 HA2 GLY A 50 8.911 1.583 10.891 1.00 2.15 H new ATOM 0 HA3 GLY A 50 10.372 1.340 9.953 1.00 2.15 H new ATOM 763 N SER A 51 7.507 1.841 8.405 1.00 2.29 N ATOM 764 CA SER A 51 6.827 2.648 7.406 1.00 3.19 C ATOM 765 C SER A 51 6.231 3.896 8.060 1.00 2.70 C ATOM 766 O SER A 51 6.316 4.992 7.505 1.00 4.25 O ATOM 767 CB SER A 51 5.732 1.844 6.701 1.00 4.28 C ATOM 768 OG SER A 51 6.267 0.752 5.957 1.00 5.32 O ATOM 0 H SER A 51 6.972 1.041 8.744 1.00 2.29 H new ATOM 0 HA SER A 51 7.557 2.952 6.656 1.00 3.19 H new ATOM 0 HB2 SER A 51 5.026 1.467 7.441 1.00 4.28 H new ATOM 0 HB3 SER A 51 5.174 2.500 6.032 1.00 4.28 H new ATOM 0 HG SER A 51 5.537 0.263 5.523 1.00 5.32 H new ATOM 774 N CYS A 52 5.641 3.690 9.227 1.00 1.65 N ATOM 775 CA CYS A 52 5.074 4.793 9.984 1.00 1.90 C ATOM 776 C CYS A 52 3.897 5.365 9.193 1.00 1.61 C ATOM 777 O CYS A 52 3.590 4.891 8.100 1.00 2.08 O ATOM 778 CB CYS A 52 6.124 5.860 10.299 1.00 3.14 C ATOM 779 SG CYS A 52 6.010 7.225 9.086 1.00 4.35 S ATOM 0 H CYS A 52 5.543 2.775 9.668 1.00 1.65 H new ATOM 0 HA CYS A 52 4.718 4.431 10.949 1.00 1.90 H new ATOM 0 HB2 CYS A 52 5.973 6.245 11.308 1.00 3.14 H new ATOM 0 HB3 CYS A 52 7.121 5.420 10.272 1.00 3.14 H new ATOM 0 HG CYS A 52 6.232 6.763 7.891 1.00 4.35 H new ATOM 785 N PHE A 53 3.270 6.377 9.774 1.00 2.09 N ATOM 786 CA PHE A 53 2.058 6.938 9.199 1.00 2.30 C ATOM 787 C PHE A 53 2.385 7.838 8.005 1.00 1.71 C ATOM 788 O PHE A 53 3.548 7.984 7.633 1.00 1.99 O ATOM 789 CB PHE A 53 1.393 7.778 10.290 1.00 3.54 C ATOM 790 CG PHE A 53 2.262 8.926 10.809 1.00 5.32 C ATOM 791 CD1 PHE A 53 2.345 10.088 10.107 1.00 6.31 C ATOM 792 CD2 PHE A 53 2.952 8.783 11.973 1.00 6.55 C ATOM 793 CE1 PHE A 53 3.152 11.152 10.589 1.00 8.31 C ATOM 794 CE2 PHE A 53 3.758 9.848 12.455 1.00 8.39 C ATOM 795 CZ PHE A 53 3.842 11.010 11.752 1.00 9.15 C ATOM 0 H PHE A 53 3.578 6.824 10.638 1.00 2.09 H new ATOM 0 HA PHE A 53 1.406 6.138 8.849 1.00 2.30 H new ATOM 0 HB2 PHE A 53 0.461 8.189 9.901 1.00 3.54 H new ATOM 0 HB3 PHE A 53 1.131 7.128 11.125 1.00 3.54 H new ATOM 0 HD1 PHE A 53 1.797 10.201 9.183 1.00 6.31 H new ATOM 0 HD2 PHE A 53 2.887 7.860 12.530 1.00 6.55 H new ATOM 0 HE1 PHE A 53 3.218 12.075 10.032 1.00 8.31 H new ATOM 0 HE2 PHE A 53 4.304 9.736 13.380 1.00 8.39 H new ATOM 0 HZ PHE A 53 4.457 11.819 12.118 1.00 9.15 H new ATOM 805 N HIS A 54 1.337 8.417 7.438 1.00 2.02 N ATOM 806 CA HIS A 54 1.498 9.306 6.300 1.00 1.74 C ATOM 807 C HIS A 54 0.399 10.371 6.322 1.00 1.83 C ATOM 808 O HIS A 54 0.670 11.544 6.571 1.00 2.31 O ATOM 809 CB HIS A 54 1.532 8.514 4.992 1.00 2.03 C ATOM 810 CG HIS A 54 2.442 9.104 3.941 1.00 2.22 C ATOM 811 ND1 HIS A 54 2.907 8.377 2.859 1.00 2.06 N ATOM 812 CD2 HIS A 54 2.968 10.357 3.818 1.00 3.39 C ATOM 813 CE1 HIS A 54 3.677 9.166 2.124 1.00 2.82 C ATOM 814 NE2 HIS A 54 3.714 10.393 2.720 1.00 3.82 N ATOM 0 H HIS A 54 0.373 8.288 7.745 1.00 2.02 H new ATOM 0 HA HIS A 54 2.456 9.821 6.368 1.00 1.74 H new ATOM 0 HB2 HIS A 54 1.853 7.494 5.205 1.00 2.03 H new ATOM 0 HB3 HIS A 54 0.521 8.453 4.590 1.00 2.03 H new ATOM 0 HD1 HIS A 54 2.693 7.400 2.661 1.00 2.06 H new ATOM 0 HD2 HIS A 54 2.805 11.180 4.498 1.00 3.39 H new ATOM 0 HE1 HIS A 54 4.186 8.887 1.213 1.00 2.82 H new ATOM 822 N ARG A 55 -0.820 9.922 6.055 1.00 1.68 N ATOM 823 CA ARG A 55 -1.974 10.801 6.133 1.00 1.93 C ATOM 824 C ARG A 55 -3.244 10.045 5.738 1.00 1.72 C ATOM 825 O ARG A 55 -3.607 10.007 4.563 1.00 2.45 O ATOM 826 CB ARG A 55 -1.804 12.015 5.217 1.00 2.55 C ATOM 827 CG ARG A 55 -1.355 11.588 3.819 1.00 1.55 C ATOM 828 CD ARG A 55 -2.153 12.321 2.738 1.00 1.41 C ATOM 829 NE ARG A 55 -1.506 12.140 1.421 1.00 1.56 N ATOM 830 CZ ARG A 55 -2.150 12.224 0.249 1.00 2.89 C ATOM 831 NH1 ARG A 55 -3.322 12.871 0.173 1.00 3.92 N ATOM 832 NH2 ARG A 55 -1.625 11.661 -0.848 1.00 4.26 N ATOM 0 H ARG A 55 -1.032 8.962 5.785 1.00 1.68 H new ATOM 0 HA ARG A 55 -2.059 11.147 7.163 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -2.746 12.559 5.150 1.00 2.55 H new ATOM 0 HB3 ARG A 55 -1.071 12.698 5.645 1.00 2.55 H new ATOM 0 HG2 ARG A 55 -0.292 11.796 3.695 1.00 1.55 H new ATOM 0 HG3 ARG A 55 -1.485 10.512 3.705 1.00 1.55 H new ATOM 0 HD2 ARG A 55 -3.174 11.940 2.706 1.00 1.41 H new ATOM 0 HD3 ARG A 55 -2.217 13.382 2.978 1.00 1.41 H new ATOM 0 HE ARG A 55 -0.506 11.938 1.403 1.00 1.56 H new ATOM 0 HH11 ARG A 55 -3.723 13.299 1.007 1.00 3.92 H new ATOM 0 HH12 ARG A 55 -3.812 12.935 -0.719 1.00 3.92 H new ATOM 0 HH21 ARG A 55 -0.734 11.168 -0.791 1.00 4.26 H new ATOM 0 HH22 ARG A 55 -2.116 11.726 -1.739 1.00 4.26 H new ATOM 846 N ILE A 56 -3.885 9.464 6.740 1.00 1.25 N ATOM 847 CA ILE A 56 -5.033 8.607 6.498 1.00 0.90 C ATOM 848 C ILE A 56 -6.241 9.473 6.134 1.00 0.75 C ATOM 849 O ILE A 56 -6.519 10.468 6.799 1.00 0.85 O ATOM 850 CB ILE A 56 -5.276 7.685 7.695 1.00 0.80 C ATOM 851 CG1 ILE A 56 -4.080 6.758 7.924 1.00 0.97 C ATOM 852 CG2 ILE A 56 -6.582 6.905 7.530 1.00 0.63 C ATOM 853 CD1 ILE A 56 -4.141 6.117 9.313 1.00 1.15 C ATOM 0 H ILE A 56 -3.631 9.570 7.722 1.00 1.25 H new ATOM 0 HA ILE A 56 -4.845 7.948 5.651 1.00 0.90 H new ATOM 0 HB ILE A 56 -5.380 8.303 8.587 1.00 0.80 H new ATOM 0 HG12 ILE A 56 -4.067 5.980 7.161 1.00 0.97 H new ATOM 0 HG13 ILE A 56 -3.153 7.322 7.820 1.00 0.97 H new ATOM 0 HG21 ILE A 56 -6.731 6.257 8.394 1.00 0.63 H new ATOM 0 HG22 ILE A 56 -7.415 7.603 7.452 1.00 0.63 H new ATOM 0 HG23 ILE A 56 -6.532 6.298 6.626 1.00 0.63 H new ATOM 0 HD11 ILE A 56 -3.280 5.463 9.450 1.00 1.15 H new ATOM 0 HD12 ILE A 56 -4.129 6.897 10.074 1.00 1.15 H new ATOM 0 HD13 ILE A 56 -5.057 5.534 9.405 1.00 1.15 H new ATOM 865 N ILE A 57 -6.927 9.059 5.078 1.00 0.67 N ATOM 866 CA ILE A 57 -8.154 9.725 4.675 1.00 0.60 C ATOM 867 C ILE A 57 -9.309 8.723 4.706 1.00 0.61 C ATOM 868 O ILE A 57 -9.240 7.671 4.070 1.00 0.65 O ATOM 869 CB ILE A 57 -7.971 10.411 3.320 1.00 0.64 C ATOM 870 CG1 ILE A 57 -6.882 11.484 3.390 1.00 0.75 C ATOM 871 CG2 ILE A 57 -9.298 10.974 2.806 1.00 0.65 C ATOM 872 CD1 ILE A 57 -6.435 11.905 1.988 1.00 0.91 C ATOM 0 H ILE A 57 -6.656 8.271 4.490 1.00 0.67 H new ATOM 0 HA ILE A 57 -8.404 10.520 5.378 1.00 0.60 H new ATOM 0 HB ILE A 57 -7.639 9.662 2.601 1.00 0.64 H new ATOM 0 HG12 ILE A 57 -7.257 12.352 3.932 1.00 0.75 H new ATOM 0 HG13 ILE A 57 -6.027 11.104 3.949 1.00 0.75 H new ATOM 0 HG21 ILE A 57 -9.139 11.456 1.841 1.00 0.65 H new ATOM 0 HG22 ILE A 57 -10.018 10.163 2.692 1.00 0.65 H new ATOM 0 HG23 ILE A 57 -9.683 11.704 3.518 1.00 0.65 H new ATOM 0 HD11 ILE A 57 -5.661 12.668 2.067 1.00 0.91 H new ATOM 0 HD12 ILE A 57 -6.039 11.039 1.457 1.00 0.91 H new ATOM 0 HD13 ILE A 57 -7.287 12.308 1.440 1.00 0.91 H new ATOM 884 N PRO A 58 -10.371 9.092 5.471 1.00 0.64 N ATOM 885 CA PRO A 58 -11.551 8.250 5.568 1.00 0.67 C ATOM 886 C PRO A 58 -12.393 8.338 4.294 1.00 0.68 C ATOM 887 O PRO A 58 -12.604 9.426 3.759 1.00 0.88 O ATOM 888 CB PRO A 58 -12.287 8.745 6.802 1.00 0.78 C ATOM 889 CG PRO A 58 -11.741 10.135 7.083 1.00 0.81 C ATOM 890 CD PRO A 58 -10.475 10.314 6.261 1.00 0.72 C ATOM 0 HA PRO A 58 -11.306 7.192 5.664 1.00 0.67 H new ATOM 0 HB2 PRO A 58 -13.363 8.776 6.629 1.00 0.78 H new ATOM 0 HB3 PRO A 58 -12.119 8.081 7.650 1.00 0.78 H new ATOM 0 HG2 PRO A 58 -12.477 10.895 6.820 1.00 0.81 H new ATOM 0 HG3 PRO A 58 -11.526 10.253 8.145 1.00 0.81 H new ATOM 0 HD2 PRO A 58 -10.539 11.195 5.622 1.00 0.72 H new ATOM 0 HD3 PRO A 58 -9.603 10.447 6.901 1.00 0.72 H new ATOM 898 N GLY A 59 -12.855 7.180 3.845 1.00 0.62 N ATOM 899 CA GLY A 59 -13.719 7.120 2.678 1.00 0.64 C ATOM 900 C GLY A 59 -12.924 7.370 1.395 1.00 0.64 C ATOM 901 O GLY A 59 -13.434 7.981 0.456 1.00 0.73 O ATOM 0 H GLY A 59 -12.647 6.276 4.269 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -14.201 6.144 2.627 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -14.512 7.862 2.769 1.00 0.64 H new ATOM 905 N PHE A 60 -11.691 6.887 1.395 1.00 0.60 N ATOM 906 CA PHE A 60 -10.853 6.970 0.211 1.00 0.64 C ATOM 907 C PHE A 60 -9.778 5.883 0.222 1.00 0.69 C ATOM 908 O PHE A 60 -9.793 4.982 -0.616 1.00 0.80 O ATOM 909 CB PHE A 60 -10.175 8.342 0.239 1.00 0.60 C ATOM 910 CG PHE A 60 -9.178 8.566 -0.900 1.00 0.67 C ATOM 911 CD1 PHE A 60 -9.400 8.003 -2.119 1.00 1.67 C ATOM 912 CD2 PHE A 60 -8.071 9.328 -0.694 1.00 1.87 C ATOM 913 CE1 PHE A 60 -8.475 8.210 -3.175 1.00 1.70 C ATOM 914 CE2 PHE A 60 -7.145 9.536 -1.751 1.00 1.93 C ATOM 915 CZ PHE A 60 -7.367 8.973 -2.970 1.00 0.88 C ATOM 0 H PHE A 60 -11.251 6.436 2.197 1.00 0.60 H new ATOM 0 HA PHE A 60 -11.460 6.833 -0.684 1.00 0.64 H new ATOM 0 HB2 PHE A 60 -10.941 9.116 0.195 1.00 0.60 H new ATOM 0 HB3 PHE A 60 -9.657 8.461 1.191 1.00 0.60 H new ATOM 0 HD1 PHE A 60 -10.280 7.399 -2.283 1.00 1.67 H new ATOM 0 HD2 PHE A 60 -7.896 9.775 0.273 1.00 1.87 H new ATOM 0 HE1 PHE A 60 -8.650 7.762 -4.142 1.00 1.70 H new ATOM 0 HE2 PHE A 60 -6.265 10.141 -1.587 1.00 1.93 H new ATOM 0 HZ PHE A 60 -6.664 9.132 -3.774 1.00 0.88 H new ATOM 925 N MET A 61 -8.870 6.001 1.180 1.00 0.66 N ATOM 926 CA MET A 61 -7.767 5.063 1.286 1.00 0.79 C ATOM 927 C MET A 61 -6.892 5.380 2.502 1.00 0.78 C ATOM 928 O MET A 61 -6.925 6.494 3.019 1.00 0.78 O ATOM 929 CB MET A 61 -6.918 5.127 0.015 1.00 0.83 C ATOM 930 CG MET A 61 -6.405 6.547 -0.231 1.00 0.87 C ATOM 931 SD MET A 61 -4.751 6.720 0.415 1.00 1.67 S ATOM 932 CE MET A 61 -4.849 8.373 1.082 1.00 0.96 C ATOM 0 H MET A 61 -8.876 6.733 1.890 1.00 0.66 H new ATOM 0 HA MET A 61 -8.178 4.061 1.409 1.00 0.79 H new ATOM 0 HB2 MET A 61 -6.075 4.442 0.102 1.00 0.83 H new ATOM 0 HB3 MET A 61 -7.510 4.797 -0.839 1.00 0.83 H new ATOM 0 HG2 MET A 61 -6.412 6.765 -1.299 1.00 0.87 H new ATOM 0 HG3 MET A 61 -7.068 7.269 0.246 1.00 0.87 H new ATOM 0 HE1 MET A 61 -3.843 8.764 1.234 1.00 0.96 H new ATOM 0 HE2 MET A 61 -5.387 9.015 0.385 1.00 0.96 H new ATOM 0 HE3 MET A 61 -5.377 8.350 2.035 1.00 0.96 H new ATOM 942 N CYS A 62 -6.132 4.379 2.920 1.00 1.01 N ATOM 943 CA CYS A 62 -5.145 4.576 3.968 1.00 1.14 C ATOM 944 C CYS A 62 -3.770 4.719 3.312 1.00 1.53 C ATOM 945 O CYS A 62 -3.561 4.254 2.192 1.00 1.90 O ATOM 946 CB CYS A 62 -5.174 3.441 4.993 1.00 1.34 C ATOM 947 SG CYS A 62 -6.785 3.420 5.859 1.00 1.95 S ATOM 0 H CYS A 62 -6.180 3.429 2.552 1.00 1.01 H new ATOM 0 HA CYS A 62 -5.377 5.484 4.524 1.00 1.14 H new ATOM 0 HB2 CYS A 62 -5.007 2.486 4.495 1.00 1.34 H new ATOM 0 HB3 CYS A 62 -4.366 3.570 5.713 1.00 1.34 H new ATOM 0 HG CYS A 62 -6.595 3.588 7.134 1.00 1.95 H new ATOM 953 N GLN A 63 -2.868 5.364 4.037 1.00 1.87 N ATOM 954 CA GLN A 63 -1.568 5.705 3.484 1.00 2.43 C ATOM 955 C GLN A 63 -0.477 5.523 4.541 1.00 2.26 C ATOM 956 O GLN A 63 -0.600 6.024 5.658 1.00 2.60 O ATOM 957 CB GLN A 63 -1.565 7.132 2.932 1.00 3.43 C ATOM 958 CG GLN A 63 -0.524 7.288 1.821 1.00 3.82 C ATOM 959 CD GLN A 63 -0.438 8.741 1.350 1.00 5.49 C ATOM 960 OE1 GLN A 63 -1.396 9.494 1.399 1.00 6.29 O ATOM 961 NE2 GLN A 63 0.762 9.091 0.895 1.00 6.47 N ATOM 0 H GLN A 63 -3.012 5.660 5.003 1.00 1.87 H new ATOM 0 HA GLN A 63 -1.359 5.029 2.655 1.00 2.43 H new ATOM 0 HB2 GLN A 63 -2.554 7.378 2.546 1.00 3.43 H new ATOM 0 HB3 GLN A 63 -1.352 7.836 3.736 1.00 3.43 H new ATOM 0 HG2 GLN A 63 0.451 6.961 2.183 1.00 3.82 H new ATOM 0 HG3 GLN A 63 -0.785 6.644 0.981 1.00 3.82 H new ATOM 0 HE21 GLN A 63 1.521 8.410 0.882 1.00 6.47 H new ATOM 0 HE22 GLN A 63 0.923 10.041 0.559 1.00 6.47 H new ATOM 970 N GLY A 64 0.565 4.805 4.151 1.00 1.96 N ATOM 971 CA GLY A 64 1.705 4.602 5.030 1.00 2.04 C ATOM 972 C GLY A 64 2.935 5.352 4.515 1.00 2.69 C ATOM 973 O GLY A 64 2.997 5.720 3.343 1.00 3.47 O ATOM 0 H GLY A 64 0.645 4.356 3.238 1.00 1.96 H new ATOM 0 HA2 GLY A 64 1.460 4.946 6.035 1.00 2.04 H new ATOM 0 HA3 GLY A 64 1.928 3.537 5.103 1.00 2.04 H new ATOM 977 N GLY A 65 3.885 5.556 5.416 1.00 3.13 N ATOM 978 CA GLY A 65 5.053 6.361 5.103 1.00 4.08 C ATOM 979 C GLY A 65 6.158 5.505 4.481 1.00 2.64 C ATOM 980 O GLY A 65 5.883 4.456 3.901 1.00 2.22 O ATOM 0 H GLY A 65 3.869 5.177 6.363 1.00 3.13 H new ATOM 0 HA2 GLY A 65 4.775 7.159 4.414 1.00 4.08 H new ATOM 0 HA3 GLY A 65 5.424 6.838 6.010 1.00 4.08 H new ATOM 984 N ASP A 66 7.385 5.985 4.623 1.00 3.12 N ATOM 985 CA ASP A 66 8.526 5.308 4.029 1.00 2.46 C ATOM 986 C ASP A 66 9.513 4.921 5.133 1.00 2.23 C ATOM 987 O ASP A 66 9.186 4.993 6.316 1.00 2.83 O ATOM 988 CB ASP A 66 9.256 6.221 3.042 1.00 3.59 C ATOM 989 CG ASP A 66 9.753 5.531 1.770 1.00 4.68 C ATOM 990 OD1 ASP A 66 10.813 4.873 1.859 1.00 5.67 O ATOM 991 OD2 ASP A 66 9.064 5.676 0.738 1.00 5.27 O ATOM 0 H ASP A 66 7.614 6.834 5.140 1.00 3.12 H new ATOM 0 HA ASP A 66 8.159 4.427 3.502 1.00 2.46 H new ATOM 0 HB2 ASP A 66 8.587 7.034 2.759 1.00 3.59 H new ATOM 0 HB3 ASP A 66 10.109 6.672 3.550 1.00 3.59 H new ATOM 996 N PHE A 67 10.701 4.519 4.706 1.00 2.04 N ATOM 997 CA PHE A 67 11.674 3.953 5.624 1.00 2.23 C ATOM 998 C PHE A 67 13.101 4.298 5.191 1.00 2.32 C ATOM 999 O PHE A 67 13.972 3.430 5.164 1.00 3.11 O ATOM 1000 CB PHE A 67 11.495 2.434 5.585 1.00 2.78 C ATOM 1001 CG PHE A 67 10.907 1.910 4.274 1.00 2.43 C ATOM 1002 CD1 PHE A 67 11.686 1.836 3.162 1.00 2.96 C ATOM 1003 CD2 PHE A 67 9.606 1.518 4.222 1.00 3.43 C ATOM 1004 CE1 PHE A 67 11.140 1.349 1.945 1.00 4.23 C ATOM 1005 CE2 PHE A 67 9.060 1.032 3.004 1.00 4.72 C ATOM 1006 CZ PHE A 67 9.839 0.957 1.892 1.00 5.01 C ATOM 0 H PHE A 67 11.012 4.574 3.736 1.00 2.04 H new ATOM 0 HA PHE A 67 11.519 4.355 6.625 1.00 2.23 H new ATOM 0 HB2 PHE A 67 12.462 1.960 5.752 1.00 2.78 H new ATOM 0 HB3 PHE A 67 10.846 2.134 6.408 1.00 2.78 H new ATOM 0 HD1 PHE A 67 12.719 2.147 3.204 1.00 2.96 H new ATOM 0 HD2 PHE A 67 8.988 1.576 5.106 1.00 3.43 H new ATOM 0 HE1 PHE A 67 11.758 1.290 1.061 1.00 4.23 H new ATOM 0 HE2 PHE A 67 8.026 0.722 2.961 1.00 4.72 H new ATOM 0 HZ PHE A 67 9.424 0.586 0.966 1.00 5.01 H new ATOM 1016 N THR A 68 13.296 5.567 4.864 1.00 2.28 N ATOM 1017 CA THR A 68 14.619 6.055 4.516 1.00 2.88 C ATOM 1018 C THR A 68 14.613 7.581 4.405 1.00 2.76 C ATOM 1019 O THR A 68 15.489 8.251 4.950 1.00 3.48 O ATOM 1020 CB THR A 68 15.059 5.355 3.228 1.00 3.48 C ATOM 1021 OG1 THR A 68 16.194 6.100 2.798 1.00 4.39 O ATOM 1022 CG2 THR A 68 14.047 5.529 2.093 1.00 3.64 C ATOM 0 H THR A 68 12.559 6.272 4.833 1.00 2.28 H new ATOM 0 HA THR A 68 15.344 5.819 5.295 1.00 2.88 H new ATOM 0 HB THR A 68 15.206 4.293 3.424 1.00 3.48 H new ATOM 0 HG1 THR A 68 16.544 5.713 1.969 1.00 4.39 H new ATOM 0 HG21 THR A 68 14.407 5.014 1.202 1.00 3.64 H new ATOM 0 HG22 THR A 68 13.088 5.108 2.393 1.00 3.64 H new ATOM 0 HG23 THR A 68 13.925 6.590 1.874 1.00 3.64 H new ATOM 1030 N ARG A 69 13.613 8.087 3.697 1.00 2.31 N ATOM 1031 CA ARG A 69 13.567 9.503 3.375 1.00 2.80 C ATOM 1032 C ARG A 69 12.171 10.065 3.652 1.00 2.93 C ATOM 1033 O ARG A 69 12.035 11.127 4.259 1.00 3.54 O ATOM 1034 CB ARG A 69 13.923 9.746 1.906 1.00 3.20 C ATOM 1035 CG ARG A 69 15.277 10.448 1.779 1.00 3.92 C ATOM 1036 CD ARG A 69 16.427 9.446 1.893 1.00 4.97 C ATOM 1037 NE ARG A 69 17.689 10.156 2.198 1.00 5.65 N ATOM 1038 CZ ARG A 69 17.979 10.696 3.389 1.00 6.17 C ATOM 1039 NH1 ARG A 69 17.240 10.386 4.462 1.00 6.22 N ATOM 1040 NH2 ARG A 69 19.008 11.546 3.506 1.00 7.10 N ATOM 0 H ARG A 69 12.829 7.542 3.338 1.00 2.31 H new ATOM 0 HA ARG A 69 14.299 10.010 4.004 1.00 2.80 H new ATOM 0 HB2 ARG A 69 13.951 8.796 1.373 1.00 3.20 H new ATOM 0 HB3 ARG A 69 13.149 10.353 1.436 1.00 3.20 H new ATOM 0 HG2 ARG A 69 15.334 10.965 0.821 1.00 3.92 H new ATOM 0 HG3 ARG A 69 15.372 11.206 2.557 1.00 3.92 H new ATOM 0 HD2 ARG A 69 16.211 8.719 2.676 1.00 4.97 H new ATOM 0 HD3 ARG A 69 16.529 8.890 0.961 1.00 4.97 H new ATOM 0 HE ARG A 69 18.382 10.239 1.454 1.00 5.65 H new ATOM 0 HH11 ARG A 69 16.457 9.739 4.372 1.00 6.22 H new ATOM 0 HH12 ARG A 69 17.461 10.797 5.369 1.00 6.22 H new ATOM 0 HH21 ARG A 69 19.570 11.782 2.688 1.00 7.10 H new ATOM 0 HH22 ARG A 69 19.229 11.957 4.413 1.00 7.10 H new ATOM 1054 N HIS A 70 11.169 9.327 3.197 1.00 3.18 N ATOM 1055 CA HIS A 70 9.795 9.792 3.289 1.00 3.83 C ATOM 1056 C HIS A 70 9.738 11.287 2.973 1.00 4.13 C ATOM 1057 O HIS A 70 10.143 11.713 1.892 1.00 5.74 O ATOM 1058 CB HIS A 70 9.196 9.451 4.655 1.00 4.06 C ATOM 1059 CG HIS A 70 10.150 9.644 5.809 1.00 3.59 C ATOM 1060 ND1 HIS A 70 11.219 8.798 6.049 1.00 3.75 N ATOM 1061 CD2 HIS A 70 10.185 10.594 6.788 1.00 4.23 C ATOM 1062 CE1 HIS A 70 11.861 9.229 7.124 1.00 4.45 C ATOM 1063 NE2 HIS A 70 11.218 10.342 7.581 1.00 4.83 N ATOM 0 H HIS A 70 11.281 8.410 2.764 1.00 3.18 H new ATOM 0 HA HIS A 70 9.182 9.276 2.550 1.00 3.83 H new ATOM 0 HB2 HIS A 70 8.314 10.070 4.818 1.00 4.06 H new ATOM 0 HB3 HIS A 70 8.860 8.414 4.644 1.00 4.06 H new ATOM 0 HD2 HIS A 70 9.489 11.413 6.898 1.00 4.23 H new ATOM 0 HE1 HIS A 70 12.739 8.778 7.562 1.00 4.45 H new ATOM 0 HE2 HIS A 70 11.487 10.890 8.398 1.00 4.83 H new ATOM 1071 N ASN A 71 9.231 12.044 3.934 1.00 3.29 N ATOM 1072 CA ASN A 71 8.777 13.397 3.661 1.00 3.80 C ATOM 1073 C ASN A 71 7.866 13.385 2.432 1.00 3.93 C ATOM 1074 O ASN A 71 7.817 14.359 1.682 1.00 4.54 O ATOM 1075 CB ASN A 71 9.956 14.326 3.367 1.00 4.05 C ATOM 1076 CG ASN A 71 9.567 15.790 3.580 1.00 4.84 C ATOM 1077 OD1 ASN A 71 9.389 16.555 2.646 1.00 5.70 O ATOM 1078 ND2 ASN A 71 9.446 16.137 4.859 1.00 5.37 N ATOM 0 H ASN A 71 9.124 11.746 4.904 1.00 3.29 H new ATOM 0 HA ASN A 71 8.245 13.758 4.541 1.00 3.80 H new ATOM 0 HB2 ASN A 71 10.795 14.071 4.015 1.00 4.05 H new ATOM 0 HB3 ASN A 71 10.291 14.181 2.340 1.00 4.05 H new ATOM 0 HD21 ASN A 71 9.190 17.093 5.106 1.00 5.37 H new ATOM 0 HD22 ASN A 71 9.609 15.447 5.592 1.00 5.37 H new ATOM 1085 N GLY A 72 7.166 12.272 2.264 1.00 3.79 N ATOM 1086 CA GLY A 72 6.288 12.107 1.117 1.00 4.24 C ATOM 1087 C GLY A 72 7.076 12.182 -0.192 1.00 3.71 C ATOM 1088 O GLY A 72 6.554 12.631 -1.211 1.00 4.51 O ATOM 0 H GLY A 72 7.189 11.477 2.902 1.00 3.79 H new ATOM 0 HA2 GLY A 72 5.775 11.147 1.182 1.00 4.24 H new ATOM 0 HA3 GLY A 72 5.520 12.880 1.128 1.00 4.24 H new ATOM 1092 N THR A 73 8.322 11.735 -0.122 1.00 2.90 N ATOM 1093 CA THR A 73 9.206 11.800 -1.273 1.00 3.13 C ATOM 1094 C THR A 73 10.044 10.525 -1.375 1.00 2.82 C ATOM 1095 O THR A 73 10.134 9.921 -2.444 1.00 3.64 O ATOM 1096 CB THR A 73 10.048 13.072 -1.151 1.00 3.68 C ATOM 1097 OG1 THR A 73 9.092 14.098 -0.895 1.00 4.41 O ATOM 1098 CG2 THR A 73 10.688 13.481 -2.479 1.00 4.05 C ATOM 0 H THR A 73 8.740 11.327 0.714 1.00 2.90 H new ATOM 0 HA THR A 73 8.640 11.855 -2.203 1.00 3.13 H new ATOM 0 HB THR A 73 10.828 12.921 -0.405 1.00 3.68 H new ATOM 0 HG1 THR A 73 8.879 14.116 0.061 1.00 4.41 H new ATOM 0 HG21 THR A 73 11.274 14.389 -2.336 1.00 4.05 H new ATOM 0 HG22 THR A 73 11.339 12.681 -2.831 1.00 4.05 H new ATOM 0 HG23 THR A 73 9.908 13.665 -3.217 1.00 4.05 H new ATOM 1106 N GLY A 74 10.635 10.151 -0.251 1.00 2.36 N ATOM 1107 CA GLY A 74 11.543 9.018 -0.223 1.00 2.28 C ATOM 1108 C GLY A 74 10.892 7.778 -0.841 1.00 2.35 C ATOM 1109 O GLY A 74 9.698 7.783 -1.139 1.00 3.29 O ATOM 0 H GLY A 74 10.503 10.613 0.649 1.00 2.36 H new ATOM 0 HA2 GLY A 74 12.454 9.264 -0.768 1.00 2.28 H new ATOM 0 HA3 GLY A 74 11.834 8.806 0.806 1.00 2.28 H new ATOM 1113 N GLY A 75 11.705 6.747 -1.015 1.00 2.35 N ATOM 1114 CA GLY A 75 11.213 5.489 -1.552 1.00 2.50 C ATOM 1115 C GLY A 75 12.264 4.825 -2.444 1.00 2.22 C ATOM 1116 O GLY A 75 12.934 5.498 -3.226 1.00 3.16 O ATOM 0 H GLY A 75 12.701 6.756 -0.794 1.00 2.35 H new ATOM 0 HA2 GLY A 75 10.949 4.819 -0.734 1.00 2.50 H new ATOM 0 HA3 GLY A 75 10.303 5.665 -2.126 1.00 2.50 H new ATOM 1120 N LYS A 76 12.375 3.513 -2.297 1.00 1.72 N ATOM 1121 CA LYS A 76 13.317 2.748 -3.097 1.00 1.66 C ATOM 1122 C LYS A 76 12.854 1.291 -3.165 1.00 1.40 C ATOM 1123 O LYS A 76 11.965 0.883 -2.420 1.00 1.54 O ATOM 1124 CB LYS A 76 14.739 2.917 -2.558 1.00 2.08 C ATOM 1125 CG LYS A 76 14.841 2.417 -1.116 1.00 3.02 C ATOM 1126 CD LYS A 76 16.108 2.950 -0.440 1.00 3.73 C ATOM 1127 CE LYS A 76 16.320 2.289 0.923 1.00 5.11 C ATOM 1128 NZ LYS A 76 17.344 1.225 0.830 1.00 6.27 N ATOM 0 H LYS A 76 11.829 2.960 -1.636 1.00 1.72 H new ATOM 0 HA LYS A 76 13.342 3.124 -4.120 1.00 1.66 H new ATOM 0 HB2 LYS A 76 15.438 2.367 -3.188 1.00 2.08 H new ATOM 0 HB3 LYS A 76 15.027 3.967 -2.604 1.00 2.08 H new ATOM 0 HG2 LYS A 76 13.963 2.735 -0.554 1.00 3.02 H new ATOM 0 HG3 LYS A 76 14.849 1.327 -1.105 1.00 3.02 H new ATOM 0 HD2 LYS A 76 16.972 2.762 -1.078 1.00 3.73 H new ATOM 0 HD3 LYS A 76 16.032 4.030 -0.317 1.00 3.73 H new ATOM 0 HE2 LYS A 76 16.630 3.037 1.652 1.00 5.11 H new ATOM 0 HE3 LYS A 76 15.380 1.867 1.279 1.00 5.11 H new ATOM 0 HZ1 LYS A 76 17.874 1.174 1.724 1.00 6.27 H new ATOM 0 HZ2 LYS A 76 16.880 0.312 0.650 1.00 6.27 H new ATOM 0 HZ3 LYS A 76 17.999 1.440 0.051 1.00 6.27 H new ATOM 1142 N SER A 77 13.480 0.546 -4.066 1.00 1.38 N ATOM 1143 CA SER A 77 13.022 -0.797 -4.373 1.00 1.30 C ATOM 1144 C SER A 77 14.220 -1.739 -4.513 1.00 1.34 C ATOM 1145 O SER A 77 15.364 -1.324 -4.331 1.00 1.67 O ATOM 1146 CB SER A 77 12.182 -0.814 -5.652 1.00 1.35 C ATOM 1147 OG SER A 77 11.219 -1.865 -5.644 1.00 2.33 O ATOM 0 H SER A 77 14.300 0.848 -4.592 1.00 1.38 H new ATOM 0 HA SER A 77 12.392 -1.139 -3.552 1.00 1.30 H new ATOM 0 HB2 SER A 77 11.673 0.143 -5.764 1.00 1.35 H new ATOM 0 HB3 SER A 77 12.838 -0.930 -6.515 1.00 1.35 H new ATOM 0 HG SER A 77 11.330 -2.416 -6.447 1.00 2.33 H new ATOM 1153 N ILE A 78 13.917 -2.989 -4.834 1.00 1.22 N ATOM 1154 CA ILE A 78 14.949 -4.005 -4.940 1.00 1.37 C ATOM 1155 C ILE A 78 15.538 -3.981 -6.351 1.00 1.42 C ATOM 1156 O ILE A 78 16.706 -4.315 -6.547 1.00 1.69 O ATOM 1157 CB ILE A 78 14.398 -5.372 -4.527 1.00 1.42 C ATOM 1158 CG1 ILE A 78 13.619 -6.018 -5.674 1.00 1.78 C ATOM 1159 CG2 ILE A 78 13.559 -5.263 -3.253 1.00 1.44 C ATOM 1160 CD1 ILE A 78 13.094 -7.398 -5.270 1.00 1.74 C ATOM 0 H ILE A 78 12.971 -3.320 -5.024 1.00 1.22 H new ATOM 0 HA ILE A 78 15.765 -3.793 -4.249 1.00 1.37 H new ATOM 0 HB ILE A 78 15.240 -6.026 -4.302 1.00 1.42 H new ATOM 0 HG12 ILE A 78 12.785 -5.377 -5.959 1.00 1.78 H new ATOM 0 HG13 ILE A 78 14.263 -6.111 -6.549 1.00 1.78 H new ATOM 0 HG21 ILE A 78 13.180 -6.248 -2.982 1.00 1.44 H new ATOM 0 HG22 ILE A 78 14.177 -4.876 -2.443 1.00 1.44 H new ATOM 0 HG23 ILE A 78 12.722 -4.587 -3.425 1.00 1.44 H new ATOM 0 HD11 ILE A 78 12.544 -7.836 -6.103 1.00 1.74 H new ATOM 0 HD12 ILE A 78 13.932 -8.044 -5.009 1.00 1.74 H new ATOM 0 HD13 ILE A 78 12.432 -7.298 -4.410 1.00 1.74 H new ATOM 1172 N TYR A 79 14.705 -3.582 -7.300 1.00 1.38 N ATOM 1173 CA TYR A 79 15.058 -3.695 -8.705 1.00 1.69 C ATOM 1174 C TYR A 79 15.922 -2.514 -9.150 1.00 1.97 C ATOM 1175 O TYR A 79 16.444 -2.507 -10.264 1.00 2.34 O ATOM 1176 CB TYR A 79 13.737 -3.665 -9.477 1.00 1.63 C ATOM 1177 CG TYR A 79 13.665 -4.672 -10.625 1.00 2.01 C ATOM 1178 CD1 TYR A 79 14.820 -5.075 -11.263 1.00 3.22 C ATOM 1179 CD2 TYR A 79 12.443 -5.176 -11.025 1.00 2.86 C ATOM 1180 CE1 TYR A 79 14.751 -6.023 -12.345 1.00 4.12 C ATOM 1181 CE2 TYR A 79 12.375 -6.124 -12.107 1.00 3.38 C ATOM 1182 CZ TYR A 79 13.533 -6.500 -12.714 1.00 3.68 C ATOM 1183 OH TYR A 79 13.468 -7.396 -13.735 1.00 4.63 O ATOM 0 H TYR A 79 13.785 -3.179 -7.123 1.00 1.38 H new ATOM 0 HA TYR A 79 15.626 -4.608 -8.885 1.00 1.69 H new ATOM 0 HB2 TYR A 79 12.919 -3.860 -8.784 1.00 1.63 H new ATOM 0 HB3 TYR A 79 13.584 -2.662 -9.877 1.00 1.63 H new ATOM 0 HD1 TYR A 79 15.775 -4.680 -10.951 1.00 3.22 H new ATOM 0 HD2 TYR A 79 11.539 -4.859 -10.527 1.00 2.86 H new ATOM 0 HE1 TYR A 79 15.648 -6.348 -12.852 1.00 4.12 H new ATOM 0 HE2 TYR A 79 11.426 -6.527 -12.429 1.00 3.38 H new ATOM 0 HH TYR A 79 12.534 -7.650 -13.888 1.00 4.63 H new ATOM 1193 N GLY A 80 16.048 -1.544 -8.257 1.00 1.89 N ATOM 1194 CA GLY A 80 16.883 -0.385 -8.523 1.00 2.23 C ATOM 1195 C GLY A 80 16.067 0.907 -8.456 1.00 2.53 C ATOM 1196 O GLY A 80 16.050 1.684 -9.409 1.00 4.03 O ATOM 0 H GLY A 80 15.586 -1.537 -7.348 1.00 1.89 H new ATOM 0 HA2 GLY A 80 17.696 -0.344 -7.798 1.00 2.23 H new ATOM 0 HA3 GLY A 80 17.340 -0.480 -9.508 1.00 2.23 H new ATOM 1200 N GLU A 81 15.408 1.096 -7.322 1.00 1.92 N ATOM 1201 CA GLU A 81 14.815 2.384 -7.007 1.00 1.86 C ATOM 1202 C GLU A 81 13.421 2.492 -7.629 1.00 1.68 C ATOM 1203 O GLU A 81 12.582 3.254 -7.152 1.00 1.63 O ATOM 1204 CB GLU A 81 15.714 3.531 -7.473 1.00 2.23 C ATOM 1205 CG GLU A 81 15.102 4.254 -8.673 1.00 3.74 C ATOM 1206 CD GLU A 81 16.101 5.237 -9.289 1.00 4.53 C ATOM 1207 OE1 GLU A 81 16.886 5.813 -8.506 1.00 4.42 O ATOM 1208 OE2 GLU A 81 16.055 5.390 -10.529 1.00 5.76 O ATOM 0 H GLU A 81 15.272 0.378 -6.610 1.00 1.92 H new ATOM 0 HA GLU A 81 14.716 2.462 -5.924 1.00 1.86 H new ATOM 0 HB2 GLU A 81 15.862 4.237 -6.656 1.00 2.23 H new ATOM 0 HB3 GLU A 81 16.696 3.142 -7.741 1.00 2.23 H new ATOM 0 HG2 GLU A 81 14.794 3.525 -9.423 1.00 3.74 H new ATOM 0 HG3 GLU A 81 14.205 4.789 -8.361 1.00 3.74 H new ATOM 1215 N LYS A 82 13.218 1.719 -8.685 1.00 1.80 N ATOM 1216 CA LYS A 82 11.896 1.592 -9.277 1.00 1.76 C ATOM 1217 C LYS A 82 11.892 0.416 -10.256 1.00 1.81 C ATOM 1218 O LYS A 82 12.928 -0.202 -10.495 1.00 1.93 O ATOM 1219 CB LYS A 82 11.461 2.918 -9.905 1.00 1.79 C ATOM 1220 CG LYS A 82 12.612 3.561 -10.682 1.00 2.81 C ATOM 1221 CD LYS A 82 12.148 4.028 -12.062 1.00 3.86 C ATOM 1222 CE LYS A 82 13.164 4.986 -12.687 1.00 4.63 C ATOM 1223 NZ LYS A 82 14.535 4.448 -12.550 1.00 5.45 N ATOM 0 H LYS A 82 13.946 1.174 -9.147 1.00 1.80 H new ATOM 0 HA LYS A 82 11.154 1.371 -8.510 1.00 1.76 H new ATOM 0 HB2 LYS A 82 10.617 2.748 -10.573 1.00 1.79 H new ATOM 0 HB3 LYS A 82 11.119 3.599 -9.125 1.00 1.79 H new ATOM 0 HG2 LYS A 82 13.006 4.408 -10.121 1.00 2.81 H new ATOM 0 HG3 LYS A 82 13.427 2.845 -10.791 1.00 2.81 H new ATOM 0 HD2 LYS A 82 12.008 3.165 -12.713 1.00 3.86 H new ATOM 0 HD3 LYS A 82 11.181 4.523 -11.976 1.00 3.86 H new ATOM 0 HE2 LYS A 82 12.930 5.137 -13.741 1.00 4.63 H new ATOM 0 HE3 LYS A 82 13.099 5.961 -12.203 1.00 4.63 H new ATOM 0 HZ1 LYS A 82 15.166 4.929 -13.223 1.00 5.45 H new ATOM 0 HZ2 LYS A 82 14.876 4.608 -11.581 1.00 5.45 H new ATOM 0 HZ3 LYS A 82 14.529 3.428 -12.751 1.00 5.45 H new ATOM 1237 N PHE A 83 10.714 0.144 -10.799 1.00 1.80 N ATOM 1238 CA PHE A 83 10.591 -0.824 -11.875 1.00 1.89 C ATOM 1239 C PHE A 83 9.336 -0.562 -12.708 1.00 1.74 C ATOM 1240 O PHE A 83 8.575 0.360 -12.418 1.00 1.46 O ATOM 1241 CB PHE A 83 10.477 -2.204 -11.224 1.00 2.14 C ATOM 1242 CG PHE A 83 9.170 -2.426 -10.461 1.00 1.60 C ATOM 1243 CD1 PHE A 83 9.058 -2.015 -9.170 1.00 1.77 C ATOM 1244 CD2 PHE A 83 8.120 -3.036 -11.075 1.00 2.42 C ATOM 1245 CE1 PHE A 83 7.844 -2.222 -8.462 1.00 2.15 C ATOM 1246 CE2 PHE A 83 6.906 -3.242 -10.367 1.00 2.30 C ATOM 1247 CZ PHE A 83 6.794 -2.831 -9.076 1.00 1.86 C ATOM 0 H PHE A 83 9.836 0.578 -10.513 1.00 1.80 H new ATOM 0 HA PHE A 83 11.454 -0.756 -12.537 1.00 1.89 H new ATOM 0 HB2 PHE A 83 10.569 -2.967 -11.996 1.00 2.14 H new ATOM 0 HB3 PHE A 83 11.314 -2.341 -10.539 1.00 2.14 H new ATOM 0 HD1 PHE A 83 9.892 -1.531 -8.683 1.00 1.77 H new ATOM 0 HD2 PHE A 83 8.210 -3.363 -12.100 1.00 2.42 H new ATOM 0 HE1 PHE A 83 7.755 -1.896 -7.436 1.00 2.15 H new ATOM 0 HE2 PHE A 83 6.072 -3.725 -10.854 1.00 2.30 H new ATOM 0 HZ PHE A 83 5.871 -2.988 -8.538 1.00 1.86 H new ATOM 1257 N GLU A 84 9.158 -1.387 -13.729 1.00 2.00 N ATOM 1258 CA GLU A 84 8.138 -1.130 -14.732 1.00 1.93 C ATOM 1259 C GLU A 84 6.744 -1.323 -14.130 1.00 1.68 C ATOM 1260 O GLU A 84 6.608 -1.811 -13.010 1.00 1.62 O ATOM 1261 CB GLU A 84 8.335 -2.024 -15.957 1.00 2.26 C ATOM 1262 CG GLU A 84 9.631 -1.671 -16.691 1.00 2.15 C ATOM 1263 CD GLU A 84 10.013 -2.767 -17.687 1.00 2.88 C ATOM 1264 OE1 GLU A 84 10.080 -3.936 -17.248 1.00 3.61 O ATOM 1265 OE2 GLU A 84 10.229 -2.411 -18.866 1.00 3.54 O ATOM 0 H GLU A 84 9.703 -2.235 -13.884 1.00 2.00 H new ATOM 0 HA GLU A 84 8.231 -0.095 -15.061 1.00 1.93 H new ATOM 0 HB2 GLU A 84 8.361 -3.069 -15.649 1.00 2.26 H new ATOM 0 HB3 GLU A 84 7.488 -1.912 -16.633 1.00 2.26 H new ATOM 0 HG2 GLU A 84 9.509 -0.724 -17.216 1.00 2.15 H new ATOM 0 HG3 GLU A 84 10.436 -1.534 -15.969 1.00 2.15 H new ATOM 1272 N ASP A 85 5.742 -0.930 -14.903 1.00 1.64 N ATOM 1273 CA ASP A 85 4.361 -1.131 -14.499 1.00 1.54 C ATOM 1274 C ASP A 85 3.870 -2.480 -15.027 1.00 1.80 C ATOM 1275 O ASP A 85 3.016 -3.118 -14.413 1.00 3.72 O ATOM 1276 CB ASP A 85 3.454 -0.040 -15.074 1.00 1.49 C ATOM 1277 CG ASP A 85 3.887 1.393 -14.757 1.00 1.57 C ATOM 1278 OD1 ASP A 85 4.070 1.678 -13.555 1.00 2.43 O ATOM 1279 OD2 ASP A 85 4.024 2.171 -15.726 1.00 2.64 O ATOM 0 H ASP A 85 5.859 -0.473 -15.807 1.00 1.64 H new ATOM 0 HA ASP A 85 4.321 -1.097 -13.410 1.00 1.54 H new ATOM 0 HB2 ASP A 85 3.409 -0.159 -16.157 1.00 1.49 H new ATOM 0 HB3 ASP A 85 2.443 -0.191 -14.694 1.00 1.49 H new ATOM 1284 N GLU A 86 4.432 -2.876 -16.160 1.00 1.24 N ATOM 1285 CA GLU A 86 4.028 -4.115 -16.802 1.00 1.22 C ATOM 1286 C GLU A 86 2.734 -3.907 -17.592 1.00 1.08 C ATOM 1287 O GLU A 86 2.723 -4.030 -18.816 1.00 1.34 O ATOM 1288 CB GLU A 86 3.869 -5.239 -15.776 1.00 1.29 C ATOM 1289 CG GLU A 86 4.038 -6.610 -16.433 1.00 2.89 C ATOM 1290 CD GLU A 86 5.500 -7.056 -16.402 1.00 3.40 C ATOM 1291 OE1 GLU A 86 6.299 -6.436 -17.137 1.00 4.25 O ATOM 1292 OE2 GLU A 86 5.787 -8.009 -15.644 1.00 3.97 O ATOM 0 H GLU A 86 5.164 -2.361 -16.649 1.00 1.24 H new ATOM 0 HA GLU A 86 4.812 -4.412 -17.498 1.00 1.22 H new ATOM 0 HB2 GLU A 86 4.607 -5.119 -14.983 1.00 1.29 H new ATOM 0 HB3 GLU A 86 2.886 -5.174 -15.310 1.00 1.29 H new ATOM 0 HG2 GLU A 86 3.419 -7.344 -15.916 1.00 2.89 H new ATOM 0 HG3 GLU A 86 3.689 -6.568 -17.465 1.00 2.89 H new ATOM 1299 N ASN A 87 1.676 -3.595 -16.860 1.00 0.83 N ATOM 1300 CA ASN A 87 0.384 -3.344 -17.479 1.00 0.74 C ATOM 1301 C ASN A 87 -0.650 -3.056 -16.390 1.00 0.77 C ATOM 1302 O ASN A 87 -0.465 -3.437 -15.235 1.00 1.09 O ATOM 1303 CB ASN A 87 -0.091 -4.562 -18.272 1.00 0.82 C ATOM 1304 CG ASN A 87 0.559 -5.845 -17.751 1.00 1.14 C ATOM 1305 OD1 ASN A 87 0.407 -6.036 -16.444 1.00 2.73 O flip ATOM 1306 ND2 ASN A 87 1.161 -6.611 -18.487 1.00 1.03 N flip ATOM 0 H ASN A 87 1.686 -3.510 -15.844 1.00 0.83 H new ATOM 0 HA ASN A 87 0.491 -2.494 -18.153 1.00 0.74 H new ATOM 0 HB2 ASN A 87 -1.176 -4.645 -18.202 1.00 0.82 H new ATOM 0 HB3 ASN A 87 0.151 -4.430 -19.327 1.00 0.82 H new ATOM 0 HD21 ASN A 87 1.241 -6.405 -19.483 1.00 1.03 H new ATOM 0 HD22 ASN A 87 1.584 -7.457 -18.106 1.00 1.03 H new ATOM 1313 N PHE A 88 -1.719 -2.385 -16.796 1.00 0.72 N ATOM 1314 CA PHE A 88 -2.801 -2.073 -15.878 1.00 0.91 C ATOM 1315 C PHE A 88 -4.061 -2.868 -16.226 1.00 0.91 C ATOM 1316 O PHE A 88 -5.152 -2.305 -16.301 1.00 1.10 O ATOM 1317 CB PHE A 88 -3.096 -0.579 -16.026 1.00 1.18 C ATOM 1318 CG PHE A 88 -1.913 0.328 -15.681 1.00 1.33 C ATOM 1319 CD1 PHE A 88 -1.017 0.672 -16.645 1.00 1.63 C ATOM 1320 CD2 PHE A 88 -1.758 0.788 -14.411 1.00 2.84 C ATOM 1321 CE1 PHE A 88 0.081 1.513 -16.324 1.00 1.75 C ATOM 1322 CE2 PHE A 88 -0.659 1.628 -14.090 1.00 2.96 C ATOM 1323 CZ PHE A 88 0.237 1.974 -15.053 1.00 1.68 C ATOM 0 H PHE A 88 -1.858 -2.049 -17.749 1.00 0.72 H new ATOM 0 HA PHE A 88 -2.512 -2.331 -14.859 1.00 0.91 H new ATOM 0 HB2 PHE A 88 -3.405 -0.380 -17.052 1.00 1.18 H new ATOM 0 HB3 PHE A 88 -3.938 -0.320 -15.384 1.00 1.18 H new ATOM 0 HD1 PHE A 88 -1.141 0.306 -17.653 1.00 1.63 H new ATOM 0 HD2 PHE A 88 -2.470 0.515 -13.647 1.00 2.84 H new ATOM 0 HE1 PHE A 88 0.793 1.787 -17.089 1.00 1.75 H new ATOM 0 HE2 PHE A 88 -0.535 1.992 -13.081 1.00 2.96 H new ATOM 0 HZ PHE A 88 1.072 2.614 -14.809 1.00 1.68 H new ATOM 1333 N ILE A 89 -3.868 -4.162 -16.428 1.00 0.78 N ATOM 1334 CA ILE A 89 -4.975 -5.039 -16.771 1.00 0.83 C ATOM 1335 C ILE A 89 -6.053 -4.941 -15.690 1.00 0.84 C ATOM 1336 O ILE A 89 -7.242 -4.868 -15.996 1.00 1.03 O ATOM 1337 CB ILE A 89 -4.475 -6.464 -17.013 1.00 0.91 C ATOM 1338 CG1 ILE A 89 -3.730 -6.566 -18.346 1.00 0.99 C ATOM 1339 CG2 ILE A 89 -5.622 -7.471 -16.920 1.00 1.07 C ATOM 1340 CD1 ILE A 89 -2.673 -7.671 -18.301 1.00 1.00 C ATOM 0 H ILE A 89 -2.962 -4.625 -16.361 1.00 0.78 H new ATOM 0 HA ILE A 89 -5.434 -4.723 -17.708 1.00 0.83 H new ATOM 0 HB ILE A 89 -3.763 -6.713 -16.226 1.00 0.91 H new ATOM 0 HG12 ILE A 89 -4.439 -6.769 -19.148 1.00 0.99 H new ATOM 0 HG13 ILE A 89 -3.254 -5.612 -18.575 1.00 0.99 H new ATOM 0 HG21 ILE A 89 -5.239 -8.476 -17.096 1.00 1.07 H new ATOM 0 HG22 ILE A 89 -6.070 -7.422 -15.927 1.00 1.07 H new ATOM 0 HG23 ILE A 89 -6.376 -7.234 -17.670 1.00 1.07 H new ATOM 0 HD11 ILE A 89 -2.159 -7.722 -19.261 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -1.951 -7.452 -17.514 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -3.155 -8.627 -18.096 1.00 1.00 H new ATOM 1352 N LEU A 90 -5.597 -4.941 -14.445 1.00 0.77 N ATOM 1353 CA LEU A 90 -6.505 -4.830 -13.316 1.00 0.75 C ATOM 1354 C LEU A 90 -6.830 -3.356 -13.071 1.00 0.94 C ATOM 1355 O LEU A 90 -5.970 -2.492 -13.234 1.00 1.55 O ATOM 1356 CB LEU A 90 -5.929 -5.545 -12.092 1.00 0.81 C ATOM 1357 CG LEU A 90 -6.139 -7.059 -12.039 1.00 1.40 C ATOM 1358 CD1 LEU A 90 -5.086 -7.789 -12.876 1.00 1.09 C ATOM 1359 CD2 LEU A 90 -6.170 -7.558 -10.593 1.00 2.90 C ATOM 0 H LEU A 90 -4.611 -5.016 -14.194 1.00 0.77 H new ATOM 0 HA LEU A 90 -7.447 -5.332 -13.535 1.00 0.75 H new ATOM 0 HB2 LEU A 90 -4.858 -5.345 -12.050 1.00 0.81 H new ATOM 0 HB3 LEU A 90 -6.371 -5.105 -11.198 1.00 0.81 H new ATOM 0 HG LEU A 90 -7.111 -7.285 -12.478 1.00 1.40 H new ATOM 0 HD11 LEU A 90 -5.258 -8.864 -12.821 1.00 1.09 H new ATOM 0 HD12 LEU A 90 -5.156 -7.463 -13.914 1.00 1.09 H new ATOM 0 HD13 LEU A 90 -4.092 -7.561 -12.490 1.00 1.09 H new ATOM 0 HD21 LEU A 90 -6.321 -8.638 -10.584 1.00 2.90 H new ATOM 0 HD22 LEU A 90 -5.225 -7.319 -10.105 1.00 2.90 H new ATOM 0 HD23 LEU A 90 -6.987 -7.073 -10.058 1.00 2.90 H new ATOM 1371 N LYS A 91 -8.073 -3.112 -12.682 1.00 0.70 N ATOM 1372 CA LYS A 91 -8.538 -1.753 -12.469 1.00 0.95 C ATOM 1373 C LYS A 91 -8.925 -1.574 -10.999 1.00 0.84 C ATOM 1374 O LYS A 91 -8.649 -2.441 -10.172 1.00 0.69 O ATOM 1375 CB LYS A 91 -9.665 -1.411 -13.447 1.00 1.30 C ATOM 1376 CG LYS A 91 -9.342 -1.922 -14.853 1.00 1.32 C ATOM 1377 CD LYS A 91 -9.881 -0.967 -15.920 1.00 2.11 C ATOM 1378 CE LYS A 91 -11.383 -0.735 -15.740 1.00 2.12 C ATOM 1379 NZ LYS A 91 -11.807 0.488 -16.457 1.00 3.28 N ATOM 0 H LYS A 91 -8.773 -3.834 -12.509 1.00 0.70 H new ATOM 0 HA LYS A 91 -7.739 -1.042 -12.678 1.00 0.95 H new ATOM 0 HB2 LYS A 91 -10.599 -1.853 -13.101 1.00 1.30 H new ATOM 0 HB3 LYS A 91 -9.814 -0.332 -13.473 1.00 1.30 H new ATOM 0 HG2 LYS A 91 -8.263 -2.028 -14.966 1.00 1.32 H new ATOM 0 HG3 LYS A 91 -9.776 -2.912 -14.993 1.00 1.32 H new ATOM 0 HD2 LYS A 91 -9.353 -0.015 -15.862 1.00 2.11 H new ATOM 0 HD3 LYS A 91 -9.689 -1.378 -16.911 1.00 2.11 H new ATOM 0 HE2 LYS A 91 -11.938 -1.595 -16.116 1.00 2.12 H new ATOM 0 HE3 LYS A 91 -11.618 -0.642 -14.680 1.00 2.12 H new ATOM 0 HZ1 LYS A 91 -12.846 0.541 -16.469 1.00 3.28 H new ATOM 0 HZ2 LYS A 91 -11.423 1.325 -15.973 1.00 3.28 H new ATOM 0 HZ3 LYS A 91 -11.451 0.459 -17.434 1.00 3.28 H new ATOM 1393 N HIS A 92 -9.558 -0.445 -10.720 1.00 0.97 N ATOM 1394 CA HIS A 92 -10.080 -0.188 -9.388 1.00 0.87 C ATOM 1395 C HIS A 92 -11.587 -0.448 -9.369 1.00 0.82 C ATOM 1396 O HIS A 92 -12.380 0.458 -9.624 1.00 0.92 O ATOM 1397 CB HIS A 92 -9.714 1.222 -8.924 1.00 0.98 C ATOM 1398 CG HIS A 92 -8.228 1.483 -8.859 1.00 1.05 C ATOM 1399 ND1 HIS A 92 -7.398 1.368 -9.961 1.00 0.99 N ATOM 1400 CD2 HIS A 92 -7.432 1.852 -7.815 1.00 2.50 C ATOM 1401 CE1 HIS A 92 -6.161 1.658 -9.586 1.00 0.76 C ATOM 1402 NE2 HIS A 92 -6.184 1.958 -8.255 1.00 1.96 N ATOM 0 H HIS A 92 -9.722 0.303 -11.394 1.00 0.97 H new ATOM 0 HA HIS A 92 -9.620 -0.872 -8.674 1.00 0.87 H new ATOM 0 HB2 HIS A 92 -10.170 1.945 -9.600 1.00 0.98 H new ATOM 0 HB3 HIS A 92 -10.145 1.392 -7.938 1.00 0.98 H new ATOM 0 HD2 HIS A 92 -7.761 2.028 -6.802 1.00 2.50 H new ATOM 0 HE1 HIS A 92 -5.288 1.657 -10.222 1.00 0.76 H new ATOM 0 HE2 HIS A 92 -5.376 2.220 -7.691 1.00 1.96 H new ATOM 1410 N THR A 93 -11.938 -1.688 -9.063 1.00 0.69 N ATOM 1411 CA THR A 93 -13.328 -2.110 -9.125 1.00 0.70 C ATOM 1412 C THR A 93 -14.129 -1.475 -7.987 1.00 0.59 C ATOM 1413 O THR A 93 -15.332 -1.254 -8.119 1.00 0.64 O ATOM 1414 CB THR A 93 -13.358 -3.639 -9.110 1.00 0.71 C ATOM 1415 OG1 THR A 93 -12.399 -3.996 -8.119 1.00 0.61 O ATOM 1416 CG2 THR A 93 -12.806 -4.248 -10.400 1.00 0.91 C ATOM 0 H THR A 93 -11.284 -2.415 -8.771 1.00 0.69 H new ATOM 0 HA THR A 93 -13.805 -1.770 -10.045 1.00 0.70 H new ATOM 0 HB THR A 93 -14.382 -3.980 -8.957 1.00 0.71 H new ATOM 0 HG1 THR A 93 -12.355 -4.972 -8.043 1.00 0.61 H new ATOM 0 HG21 THR A 93 -12.850 -5.335 -10.337 1.00 0.91 H new ATOM 0 HG22 THR A 93 -13.403 -3.909 -11.247 1.00 0.91 H new ATOM 0 HG23 THR A 93 -11.771 -3.934 -10.537 1.00 0.91 H new ATOM 1424 N GLY A 94 -13.431 -1.198 -6.896 1.00 0.54 N ATOM 1425 CA GLY A 94 -14.067 -0.616 -5.727 1.00 0.51 C ATOM 1426 C GLY A 94 -13.149 -0.696 -4.505 1.00 0.48 C ATOM 1427 O GLY A 94 -11.927 -0.689 -4.642 1.00 0.44 O ATOM 0 H GLY A 94 -12.430 -1.366 -6.797 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -14.321 0.425 -5.927 1.00 0.51 H new ATOM 0 HA3 GLY A 94 -15.001 -1.138 -5.519 1.00 0.51 H new ATOM 1431 N PRO A 95 -13.790 -0.770 -3.309 1.00 0.54 N ATOM 1432 CA PRO A 95 -13.045 -0.849 -2.064 1.00 0.56 C ATOM 1433 C PRO A 95 -12.446 -2.245 -1.871 1.00 0.58 C ATOM 1434 O PRO A 95 -13.103 -3.249 -2.144 1.00 0.77 O ATOM 1435 CB PRO A 95 -14.045 -0.477 -0.981 1.00 0.65 C ATOM 1436 CG PRO A 95 -15.419 -0.656 -1.605 1.00 0.70 C ATOM 1437 CD PRO A 95 -15.236 -0.782 -3.109 1.00 0.62 C ATOM 0 HA PRO A 95 -12.188 -0.176 -2.044 1.00 0.56 H new ATOM 0 HB2 PRO A 95 -13.928 -1.115 -0.105 1.00 0.65 H new ATOM 0 HB3 PRO A 95 -13.897 0.551 -0.649 1.00 0.65 H new ATOM 0 HG2 PRO A 95 -15.907 -1.544 -1.204 1.00 0.70 H new ATOM 0 HG3 PRO A 95 -16.059 0.194 -1.368 1.00 0.70 H new ATOM 0 HD2 PRO A 95 -15.680 -1.703 -3.486 1.00 0.62 H new ATOM 0 HD3 PRO A 95 -15.716 0.042 -3.637 1.00 0.62 H new ATOM 1445 N GLY A 96 -11.208 -2.263 -1.401 1.00 0.54 N ATOM 1446 CA GLY A 96 -10.527 -3.519 -1.136 1.00 0.55 C ATOM 1447 C GLY A 96 -9.646 -3.926 -2.320 1.00 0.51 C ATOM 1448 O GLY A 96 -9.654 -5.083 -2.734 1.00 0.76 O ATOM 0 H GLY A 96 -10.659 -1.428 -1.197 1.00 0.54 H new ATOM 0 HA2 GLY A 96 -9.915 -3.423 -0.239 1.00 0.55 H new ATOM 0 HA3 GLY A 96 -11.261 -4.300 -0.939 1.00 0.55 H new ATOM 1452 N ILE A 97 -8.909 -2.951 -2.831 1.00 0.55 N ATOM 1453 CA ILE A 97 -8.044 -3.187 -3.974 1.00 0.51 C ATOM 1454 C ILE A 97 -6.604 -2.828 -3.601 1.00 0.61 C ATOM 1455 O ILE A 97 -6.347 -1.752 -3.064 1.00 0.80 O ATOM 1456 CB ILE A 97 -8.565 -2.441 -5.204 1.00 0.60 C ATOM 1457 CG1 ILE A 97 -9.822 -3.113 -5.761 1.00 0.89 C ATOM 1458 CG2 ILE A 97 -7.472 -2.301 -6.265 1.00 0.69 C ATOM 1459 CD1 ILE A 97 -9.461 -4.325 -6.621 1.00 0.71 C ATOM 0 H ILE A 97 -8.893 -1.996 -2.474 1.00 0.55 H new ATOM 0 HA ILE A 97 -8.050 -4.243 -4.244 1.00 0.51 H new ATOM 0 HB ILE A 97 -8.847 -1.434 -4.898 1.00 0.60 H new ATOM 0 HG12 ILE A 97 -10.466 -3.425 -4.939 1.00 0.89 H new ATOM 0 HG13 ILE A 97 -10.388 -2.396 -6.356 1.00 0.89 H new ATOM 0 HG21 ILE A 97 -7.869 -1.767 -7.128 1.00 0.69 H new ATOM 0 HG22 ILE A 97 -6.631 -1.745 -5.850 1.00 0.69 H new ATOM 0 HG23 ILE A 97 -7.136 -3.291 -6.574 1.00 0.69 H new ATOM 0 HD11 ILE A 97 -10.373 -4.784 -7.004 1.00 0.71 H new ATOM 0 HD12 ILE A 97 -8.837 -4.006 -7.456 1.00 0.71 H new ATOM 0 HD13 ILE A 97 -8.916 -5.050 -6.017 1.00 0.71 H new ATOM 1471 N LEU A 98 -5.702 -3.751 -3.900 1.00 0.63 N ATOM 1472 CA LEU A 98 -4.290 -3.531 -3.636 1.00 0.82 C ATOM 1473 C LEU A 98 -3.642 -2.881 -4.860 1.00 0.79 C ATOM 1474 O LEU A 98 -3.535 -3.505 -5.915 1.00 0.73 O ATOM 1475 CB LEU A 98 -3.616 -4.835 -3.202 1.00 0.96 C ATOM 1476 CG LEU A 98 -2.593 -4.716 -2.071 1.00 1.27 C ATOM 1477 CD1 LEU A 98 -1.528 -3.670 -2.402 1.00 1.59 C ATOM 1478 CD2 LEU A 98 -3.283 -4.430 -0.735 1.00 3.08 C ATOM 0 H LEU A 98 -5.921 -4.653 -4.323 1.00 0.63 H new ATOM 0 HA LEU A 98 -4.161 -2.840 -2.802 1.00 0.82 H new ATOM 0 HB2 LEU A 98 -4.391 -5.536 -2.892 1.00 0.96 H new ATOM 0 HB3 LEU A 98 -3.120 -5.271 -4.069 1.00 0.96 H new ATOM 0 HG LEU A 98 -2.082 -5.674 -1.971 1.00 1.27 H new ATOM 0 HD11 LEU A 98 -0.814 -3.606 -1.581 1.00 1.59 H new ATOM 0 HD12 LEU A 98 -1.007 -3.958 -3.315 1.00 1.59 H new ATOM 0 HD13 LEU A 98 -2.003 -2.700 -2.546 1.00 1.59 H new ATOM 0 HD21 LEU A 98 -2.533 -4.350 0.052 1.00 3.08 H new ATOM 0 HD22 LEU A 98 -3.837 -3.494 -0.805 1.00 3.08 H new ATOM 0 HD23 LEU A 98 -3.971 -5.242 -0.500 1.00 3.08 H new ATOM 1490 N SER A 99 -3.225 -1.636 -4.679 1.00 1.06 N ATOM 1491 CA SER A 99 -2.710 -0.851 -5.788 1.00 1.05 C ATOM 1492 C SER A 99 -1.486 -0.051 -5.337 1.00 0.95 C ATOM 1493 O SER A 99 -1.349 0.268 -4.157 1.00 0.81 O ATOM 1494 CB SER A 99 -3.783 0.088 -6.343 1.00 1.08 C ATOM 1495 OG SER A 99 -4.065 1.163 -5.452 1.00 1.90 O ATOM 0 H SER A 99 -3.233 -1.152 -3.781 1.00 1.06 H new ATOM 0 HA SER A 99 -2.417 -1.534 -6.585 1.00 1.05 H new ATOM 0 HB2 SER A 99 -3.453 0.489 -7.302 1.00 1.08 H new ATOM 0 HB3 SER A 99 -4.696 -0.476 -6.531 1.00 1.08 H new ATOM 0 HG SER A 99 -4.753 1.740 -5.843 1.00 1.90 H new ATOM 1501 N MET A 100 -0.628 0.250 -6.301 1.00 1.15 N ATOM 1502 CA MET A 100 0.535 1.079 -6.036 1.00 1.02 C ATOM 1503 C MET A 100 0.351 2.484 -6.611 1.00 0.86 C ATOM 1504 O MET A 100 -0.238 2.650 -7.677 1.00 1.20 O ATOM 1505 CB MET A 100 1.775 0.432 -6.657 1.00 1.38 C ATOM 1506 CG MET A 100 2.099 -0.898 -5.973 1.00 1.79 C ATOM 1507 SD MET A 100 3.538 -1.637 -6.729 1.00 2.08 S ATOM 1508 CE MET A 100 4.827 -0.703 -5.924 1.00 1.64 C ATOM 0 H MET A 100 -0.715 -0.066 -7.267 1.00 1.15 H new ATOM 0 HA MET A 100 0.659 1.163 -4.956 1.00 1.02 H new ATOM 0 HB2 MET A 100 1.609 0.267 -7.722 1.00 1.38 H new ATOM 0 HB3 MET A 100 2.626 1.108 -6.568 1.00 1.38 H new ATOM 0 HG2 MET A 100 2.279 -0.736 -4.910 1.00 1.79 H new ATOM 0 HG3 MET A 100 1.248 -1.574 -6.053 1.00 1.79 H new ATOM 0 HE1 MET A 100 5.784 -1.203 -6.071 1.00 1.64 H new ATOM 0 HE2 MET A 100 4.871 0.299 -6.351 1.00 1.64 H new ATOM 0 HE3 MET A 100 4.614 -0.634 -4.857 1.00 1.64 H new ATOM 1518 N ALA A 101 0.864 3.461 -5.877 1.00 0.70 N ATOM 1519 CA ALA A 101 0.659 4.854 -6.236 1.00 0.69 C ATOM 1520 C ALA A 101 1.522 5.196 -7.451 1.00 0.99 C ATOM 1521 O ALA A 101 1.046 5.168 -8.584 1.00 2.59 O ATOM 1522 CB ALA A 101 0.969 5.743 -5.031 1.00 0.63 C ATOM 0 H ALA A 101 1.421 3.315 -5.035 1.00 0.70 H new ATOM 0 HA ALA A 101 -0.381 5.030 -6.511 1.00 0.69 H new ATOM 0 HB1 ALA A 101 0.815 6.788 -5.301 1.00 0.63 H new ATOM 0 HB2 ALA A 101 0.308 5.480 -4.205 1.00 0.63 H new ATOM 0 HB3 ALA A 101 2.005 5.596 -4.727 1.00 0.63 H new ATOM 1528 N ASN A 102 2.779 5.512 -7.173 1.00 1.38 N ATOM 1529 CA ASN A 102 3.749 5.727 -8.234 1.00 1.41 C ATOM 1530 C ASN A 102 3.587 7.143 -8.789 1.00 1.35 C ATOM 1531 O ASN A 102 2.487 7.544 -9.165 1.00 1.45 O ATOM 1532 CB ASN A 102 3.535 4.740 -9.383 1.00 1.60 C ATOM 1533 CG ASN A 102 3.266 3.330 -8.854 1.00 3.14 C ATOM 1534 OD1 ASN A 102 3.736 2.935 -7.800 1.00 4.60 O ATOM 1535 ND2 ASN A 102 2.486 2.596 -9.641 1.00 3.42 N ATOM 0 H ASN A 102 3.148 5.624 -6.229 1.00 1.38 H new ATOM 0 HA ASN A 102 4.745 5.582 -7.815 1.00 1.41 H new ATOM 0 HB2 ASN A 102 2.696 5.068 -9.997 1.00 1.60 H new ATOM 0 HB3 ASN A 102 4.415 4.729 -10.026 1.00 1.60 H new ATOM 0 HD21 ASN A 102 2.248 1.641 -9.375 1.00 3.42 H new ATOM 0 HD22 ASN A 102 2.126 2.988 -10.511 1.00 3.42 H new ATOM 1542 N ALA A 103 4.700 7.862 -8.822 1.00 1.32 N ATOM 1543 CA ALA A 103 4.664 9.283 -9.123 1.00 1.31 C ATOM 1544 C ALA A 103 5.018 9.497 -10.597 1.00 1.26 C ATOM 1545 O ALA A 103 5.427 10.588 -10.988 1.00 1.30 O ATOM 1546 CB ALA A 103 5.612 10.028 -8.182 1.00 1.36 C ATOM 0 H ALA A 103 5.632 7.487 -8.645 1.00 1.32 H new ATOM 0 HA ALA A 103 3.663 9.684 -8.963 1.00 1.31 H new ATOM 0 HB1 ALA A 103 5.585 11.094 -8.408 1.00 1.36 H new ATOM 0 HB2 ALA A 103 5.301 9.868 -7.150 1.00 1.36 H new ATOM 0 HB3 ALA A 103 6.627 9.654 -8.317 1.00 1.36 H new ATOM 1552 N GLY A 104 4.846 8.437 -11.374 1.00 1.36 N ATOM 1553 CA GLY A 104 5.108 8.505 -12.801 1.00 1.34 C ATOM 1554 C GLY A 104 5.019 7.119 -13.441 1.00 1.30 C ATOM 1555 O GLY A 104 4.760 6.130 -12.757 1.00 1.31 O ATOM 0 H GLY A 104 4.528 7.526 -11.042 1.00 1.36 H new ATOM 0 HA2 GLY A 104 4.390 9.175 -13.275 1.00 1.34 H new ATOM 0 HA3 GLY A 104 6.099 8.926 -12.973 1.00 1.34 H new ATOM 1559 N PRO A 105 5.245 7.089 -14.782 1.00 1.39 N ATOM 1560 CA PRO A 105 5.225 5.836 -15.517 1.00 1.54 C ATOM 1561 C PRO A 105 6.495 5.024 -15.250 1.00 1.66 C ATOM 1562 O PRO A 105 7.597 5.570 -15.253 1.00 1.72 O ATOM 1563 CB PRO A 105 5.072 6.237 -16.975 1.00 1.74 C ATOM 1564 CG PRO A 105 5.478 7.700 -17.050 1.00 1.66 C ATOM 1565 CD PRO A 105 5.524 8.243 -15.631 1.00 1.45 C ATOM 0 HA PRO A 105 4.409 5.181 -15.211 1.00 1.54 H new ATOM 0 HB2 PRO A 105 5.704 5.623 -17.617 1.00 1.74 H new ATOM 0 HB3 PRO A 105 4.045 6.099 -17.312 1.00 1.74 H new ATOM 0 HG2 PRO A 105 6.451 7.802 -17.530 1.00 1.66 H new ATOM 0 HG3 PRO A 105 4.765 8.264 -17.652 1.00 1.66 H new ATOM 0 HD2 PRO A 105 6.499 8.675 -15.404 1.00 1.45 H new ATOM 0 HD3 PRO A 105 4.785 9.030 -15.484 1.00 1.45 H new ATOM 1573 N ASN A 106 6.297 3.733 -15.028 1.00 1.79 N ATOM 1574 CA ASN A 106 7.403 2.855 -14.684 1.00 1.96 C ATOM 1575 C ASN A 106 8.197 3.470 -13.530 1.00 1.90 C ATOM 1576 O ASN A 106 9.422 3.364 -13.489 1.00 2.08 O ATOM 1577 CB ASN A 106 8.354 2.676 -15.869 1.00 2.18 C ATOM 1578 CG ASN A 106 7.652 1.973 -17.034 1.00 3.34 C ATOM 1579 OD1 ASN A 106 6.866 1.058 -16.857 1.00 4.31 O ATOM 1580 ND2 ASN A 106 7.981 2.451 -18.231 1.00 3.77 N ATOM 0 H ASN A 106 5.388 3.274 -15.080 1.00 1.79 H new ATOM 0 HA ASN A 106 6.989 1.886 -14.404 1.00 1.96 H new ATOM 0 HB2 ASN A 106 8.722 3.649 -16.195 1.00 2.18 H new ATOM 0 HB3 ASN A 106 9.222 2.095 -15.559 1.00 2.18 H new ATOM 0 HD21 ASN A 106 7.567 2.049 -19.072 1.00 3.77 H new ATOM 0 HD22 ASN A 106 8.647 3.220 -18.308 1.00 3.77 H new ATOM 1587 N THR A 107 7.467 4.102 -12.622 1.00 1.72 N ATOM 1588 CA THR A 107 8.074 4.641 -11.417 1.00 1.74 C ATOM 1589 C THR A 107 7.390 4.068 -10.173 1.00 1.71 C ATOM 1590 O THR A 107 6.655 4.773 -9.484 1.00 2.22 O ATOM 1591 CB THR A 107 8.009 6.167 -11.497 1.00 1.66 C ATOM 1592 OG1 THR A 107 8.614 6.475 -12.750 1.00 2.68 O ATOM 1593 CG2 THR A 107 8.914 6.847 -10.468 1.00 1.95 C ATOM 0 H THR A 107 6.461 4.253 -12.697 1.00 1.72 H new ATOM 0 HA THR A 107 9.121 4.350 -11.337 1.00 1.74 H new ATOM 0 HB THR A 107 6.980 6.495 -11.347 1.00 1.66 H new ATOM 0 HG1 THR A 107 8.018 6.200 -13.478 1.00 2.68 H new ATOM 0 HG21 THR A 107 8.830 7.929 -10.568 1.00 1.95 H new ATOM 0 HG22 THR A 107 8.610 6.551 -9.464 1.00 1.95 H new ATOM 0 HG23 THR A 107 9.948 6.546 -10.638 1.00 1.95 H new ATOM 1601 N ASN A 108 7.658 2.794 -9.925 1.00 1.72 N ATOM 1602 CA ASN A 108 6.971 2.079 -8.863 1.00 1.79 C ATOM 1603 C ASN A 108 7.985 1.247 -8.075 1.00 1.94 C ATOM 1604 O ASN A 108 8.962 0.757 -8.638 1.00 2.03 O ATOM 1605 CB ASN A 108 5.919 1.125 -9.433 1.00 1.98 C ATOM 1606 CG ASN A 108 5.501 1.549 -10.843 1.00 2.68 C ATOM 1607 OD1 ASN A 108 4.943 2.613 -11.059 1.00 3.25 O ATOM 1608 ND2 ASN A 108 5.798 0.659 -11.785 1.00 3.86 N ATOM 0 H ASN A 108 8.341 2.239 -10.441 1.00 1.72 H new ATOM 0 HA ASN A 108 6.483 2.814 -8.222 1.00 1.79 H new ATOM 0 HB2 ASN A 108 6.318 0.111 -9.458 1.00 1.98 H new ATOM 0 HB3 ASN A 108 5.046 1.109 -8.780 1.00 1.98 H new ATOM 0 HD21 ASN A 108 5.558 0.847 -12.758 1.00 3.86 H new ATOM 0 HD22 ASN A 108 6.266 -0.212 -11.534 1.00 3.86 H new ATOM 1615 N GLY A 109 7.718 1.115 -6.784 1.00 2.21 N ATOM 1616 CA GLY A 109 8.549 0.285 -5.929 1.00 2.55 C ATOM 1617 C GLY A 109 8.974 1.045 -4.672 1.00 1.62 C ATOM 1618 O GLY A 109 10.129 1.450 -4.548 1.00 2.74 O ATOM 0 H GLY A 109 6.938 1.569 -6.309 1.00 2.21 H new ATOM 0 HA2 GLY A 109 8.002 -0.614 -5.647 1.00 2.55 H new ATOM 0 HA3 GLY A 109 9.433 -0.039 -6.479 1.00 2.55 H new ATOM 1622 N SER A 110 8.018 1.216 -3.770 1.00 1.24 N ATOM 1623 CA SER A 110 8.307 1.811 -2.476 1.00 2.18 C ATOM 1624 C SER A 110 7.054 1.789 -1.599 1.00 2.04 C ATOM 1625 O SER A 110 6.850 0.855 -0.825 1.00 2.88 O ATOM 1626 CB SER A 110 8.822 3.243 -2.632 1.00 3.25 C ATOM 1627 OG SER A 110 7.903 4.067 -3.344 1.00 4.41 O ATOM 0 H SER A 110 7.043 0.953 -3.910 1.00 1.24 H new ATOM 0 HA SER A 110 9.089 1.223 -1.995 1.00 2.18 H new ATOM 0 HB2 SER A 110 9.005 3.672 -1.647 1.00 3.25 H new ATOM 0 HB3 SER A 110 9.778 3.229 -3.156 1.00 3.25 H new ATOM 0 HG SER A 110 7.700 4.865 -2.813 1.00 4.41 H new ATOM 1633 N GLN A 111 6.247 2.830 -1.749 1.00 1.62 N ATOM 1634 CA GLN A 111 5.072 2.993 -0.910 1.00 1.67 C ATOM 1635 C GLN A 111 3.854 2.342 -1.567 1.00 1.63 C ATOM 1636 O GLN A 111 3.754 2.299 -2.793 1.00 1.98 O ATOM 1637 CB GLN A 111 4.811 4.472 -0.614 1.00 1.91 C ATOM 1638 CG GLN A 111 5.988 5.097 0.137 1.00 3.11 C ATOM 1639 CD GLN A 111 5.805 6.610 0.281 1.00 3.90 C ATOM 1640 OE1 GLN A 111 5.288 7.284 -0.594 1.00 4.11 O ATOM 1641 NE2 GLN A 111 6.256 7.102 1.431 1.00 5.14 N ATOM 0 H GLN A 111 6.384 3.569 -2.439 1.00 1.62 H new ATOM 0 HA GLN A 111 5.257 2.493 0.041 1.00 1.67 H new ATOM 0 HB2 GLN A 111 4.644 5.009 -1.548 1.00 1.91 H new ATOM 0 HB3 GLN A 111 3.902 4.573 -0.021 1.00 1.91 H new ATOM 0 HG2 GLN A 111 6.077 4.642 1.124 1.00 3.11 H new ATOM 0 HG3 GLN A 111 6.916 4.888 -0.395 1.00 3.11 H new ATOM 0 HE21 GLN A 111 6.678 6.481 2.121 1.00 5.14 H new ATOM 0 HE22 GLN A 111 6.179 8.101 1.623 1.00 5.14 H new ATOM 1650 N PHE A 112 2.959 1.849 -0.724 1.00 1.55 N ATOM 1651 CA PHE A 112 1.769 1.171 -1.208 1.00 1.52 C ATOM 1652 C PHE A 112 0.553 1.512 -0.343 1.00 1.62 C ATOM 1653 O PHE A 112 0.670 1.634 0.876 1.00 2.09 O ATOM 1654 CB PHE A 112 2.040 -0.331 -1.116 1.00 1.71 C ATOM 1655 CG PHE A 112 2.810 -0.748 0.139 1.00 2.06 C ATOM 1656 CD1 PHE A 112 2.138 -1.039 1.285 1.00 2.36 C ATOM 1657 CD2 PHE A 112 4.168 -0.829 0.109 1.00 3.42 C ATOM 1658 CE1 PHE A 112 2.853 -1.425 2.450 1.00 2.72 C ATOM 1659 CE2 PHE A 112 4.883 -1.216 1.273 1.00 3.85 C ATOM 1660 CZ PHE A 112 4.209 -1.506 2.418 1.00 3.03 C ATOM 0 H PHE A 112 3.034 1.906 0.292 1.00 1.55 H new ATOM 0 HA PHE A 112 1.554 1.483 -2.230 1.00 1.52 H new ATOM 0 HB2 PHE A 112 1.089 -0.864 -1.140 1.00 1.71 H new ATOM 0 HB3 PHE A 112 2.603 -0.643 -1.996 1.00 1.71 H new ATOM 0 HD1 PHE A 112 1.060 -0.977 1.309 1.00 2.36 H new ATOM 0 HD2 PHE A 112 4.702 -0.599 -0.801 1.00 3.42 H new ATOM 0 HE1 PHE A 112 2.319 -1.654 3.361 1.00 2.72 H new ATOM 0 HE2 PHE A 112 5.961 -1.280 1.249 1.00 3.85 H new ATOM 0 HZ PHE A 112 4.752 -1.801 3.303 1.00 3.03 H new ATOM 1670 N PHE A 113 -0.585 1.657 -1.007 1.00 1.40 N ATOM 1671 CA PHE A 113 -1.754 2.238 -0.370 1.00 1.50 C ATOM 1672 C PHE A 113 -3.021 1.465 -0.740 1.00 1.29 C ATOM 1673 O PHE A 113 -3.372 1.369 -1.916 1.00 1.58 O ATOM 1674 CB PHE A 113 -1.877 3.673 -0.885 1.00 1.85 C ATOM 1675 CG PHE A 113 -0.581 4.481 -0.791 1.00 3.09 C ATOM 1676 CD1 PHE A 113 0.153 4.458 0.353 1.00 4.97 C ATOM 1677 CD2 PHE A 113 -0.164 5.222 -1.853 1.00 3.20 C ATOM 1678 CE1 PHE A 113 1.356 5.209 0.441 1.00 6.48 C ATOM 1679 CE2 PHE A 113 1.040 5.972 -1.765 1.00 4.87 C ATOM 1680 CZ PHE A 113 1.773 5.949 -0.621 1.00 6.31 C ATOM 0 H PHE A 113 -0.722 1.382 -1.980 1.00 1.40 H new ATOM 0 HA PHE A 113 -1.643 2.203 0.714 1.00 1.50 H new ATOM 0 HB2 PHE A 113 -2.203 3.648 -1.925 1.00 1.85 H new ATOM 0 HB3 PHE A 113 -2.655 4.186 -0.319 1.00 1.85 H new ATOM 0 HD1 PHE A 113 -0.178 3.869 1.195 1.00 4.97 H new ATOM 0 HD2 PHE A 113 -0.747 5.240 -2.762 1.00 3.20 H new ATOM 0 HE1 PHE A 113 1.939 5.192 1.350 1.00 6.48 H new ATOM 0 HE2 PHE A 113 1.372 6.560 -2.607 1.00 4.87 H new ATOM 0 HZ PHE A 113 2.688 6.519 -0.555 1.00 6.31 H new ATOM 1690 N ILE A 114 -3.673 0.934 0.284 1.00 1.35 N ATOM 1691 CA ILE A 114 -4.863 0.127 0.076 1.00 1.18 C ATOM 1692 C ILE A 114 -6.038 1.040 -0.278 1.00 1.14 C ATOM 1693 O ILE A 114 -6.373 1.948 0.480 1.00 1.36 O ATOM 1694 CB ILE A 114 -5.122 -0.768 1.290 1.00 1.13 C ATOM 1695 CG1 ILE A 114 -3.903 -1.638 1.601 1.00 1.26 C ATOM 1696 CG2 ILE A 114 -6.389 -1.604 1.094 1.00 1.06 C ATOM 1697 CD1 ILE A 114 -3.409 -1.399 3.029 1.00 1.25 C ATOM 0 H ILE A 114 -3.400 1.047 1.260 1.00 1.35 H new ATOM 0 HA ILE A 114 -4.722 -0.551 -0.766 1.00 1.18 H new ATOM 0 HB ILE A 114 -5.289 -0.128 2.157 1.00 1.13 H new ATOM 0 HG12 ILE A 114 -4.160 -2.689 1.472 1.00 1.26 H new ATOM 0 HG13 ILE A 114 -3.104 -1.416 0.894 1.00 1.26 H new ATOM 0 HG21 ILE A 114 -6.550 -2.231 1.971 1.00 1.06 H new ATOM 0 HG22 ILE A 114 -7.244 -0.942 0.959 1.00 1.06 H new ATOM 0 HG23 ILE A 114 -6.276 -2.235 0.212 1.00 1.06 H new ATOM 0 HD11 ILE A 114 -2.542 -2.030 3.224 1.00 1.25 H new ATOM 0 HD12 ILE A 114 -3.130 -0.352 3.147 1.00 1.25 H new ATOM 0 HD13 ILE A 114 -4.203 -1.645 3.734 1.00 1.25 H new ATOM 1709 N CYS A 115 -6.632 0.767 -1.431 1.00 1.06 N ATOM 1710 CA CYS A 115 -7.740 1.575 -1.911 1.00 1.06 C ATOM 1711 C CYS A 115 -9.033 1.024 -1.308 1.00 0.91 C ATOM 1712 O CYS A 115 -9.362 -0.147 -1.497 1.00 0.99 O ATOM 1713 CB CYS A 115 -7.794 1.609 -3.440 1.00 1.26 C ATOM 1714 SG CYS A 115 -8.968 2.898 -3.996 1.00 1.67 S ATOM 0 H CYS A 115 -6.367 -0.002 -2.046 1.00 1.06 H new ATOM 0 HA CYS A 115 -7.603 2.609 -1.594 1.00 1.06 H new ATOM 0 HB2 CYS A 115 -6.802 1.811 -3.843 1.00 1.26 H new ATOM 0 HB3 CYS A 115 -8.101 0.636 -3.823 1.00 1.26 H new ATOM 0 HG CYS A 115 -10.159 2.386 -4.096 1.00 1.67 H new ATOM 1720 N THR A 116 -9.732 1.893 -0.592 1.00 0.82 N ATOM 1721 CA THR A 116 -10.972 1.504 0.057 1.00 0.76 C ATOM 1722 C THR A 116 -12.143 2.316 -0.499 1.00 0.82 C ATOM 1723 O THR A 116 -12.964 2.827 0.261 1.00 1.04 O ATOM 1724 CB THR A 116 -10.784 1.662 1.567 1.00 0.89 C ATOM 1725 OG1 THR A 116 -9.522 1.053 1.827 1.00 1.68 O ATOM 1726 CG2 THR A 116 -11.777 0.820 2.372 1.00 1.18 C ATOM 0 H THR A 116 -9.462 2.866 -0.447 1.00 0.82 H new ATOM 0 HA THR A 116 -11.216 0.461 -0.147 1.00 0.76 H new ATOM 0 HB THR A 116 -10.895 2.712 1.838 1.00 0.89 H new ATOM 0 HG1 THR A 116 -9.321 1.113 2.784 1.00 1.68 H new ATOM 0 HG21 THR A 116 -11.600 0.969 3.437 1.00 1.18 H new ATOM 0 HG22 THR A 116 -12.795 1.124 2.127 1.00 1.18 H new ATOM 0 HG23 THR A 116 -11.644 -0.233 2.126 1.00 1.18 H new ATOM 1734 N ALA A 117 -12.183 2.408 -1.819 1.00 0.77 N ATOM 1735 CA ALA A 117 -13.282 3.083 -2.489 1.00 0.83 C ATOM 1736 C ALA A 117 -13.140 2.902 -4.002 1.00 0.76 C ATOM 1737 O ALA A 117 -12.112 2.426 -4.480 1.00 0.76 O ATOM 1738 CB ALA A 117 -13.304 4.557 -2.078 1.00 1.10 C ATOM 0 H ALA A 117 -11.472 2.027 -2.443 1.00 0.77 H new ATOM 0 HA ALA A 117 -14.236 2.648 -2.193 1.00 0.83 H new ATOM 0 HB1 ALA A 117 -14.128 5.063 -2.581 1.00 1.10 H new ATOM 0 HB2 ALA A 117 -13.437 4.632 -0.999 1.00 1.10 H new ATOM 0 HB3 ALA A 117 -12.363 5.028 -2.361 1.00 1.10 H new ATOM 1744 N LYS A 118 -14.188 3.290 -4.713 1.00 0.79 N ATOM 1745 CA LYS A 118 -14.202 3.158 -6.160 1.00 0.81 C ATOM 1746 C LYS A 118 -13.520 4.377 -6.786 1.00 0.68 C ATOM 1747 O LYS A 118 -14.190 5.281 -7.279 1.00 1.14 O ATOM 1748 CB LYS A 118 -15.628 2.925 -6.664 1.00 1.03 C ATOM 1749 CG LYS A 118 -15.628 2.515 -8.137 1.00 1.31 C ATOM 1750 CD LYS A 118 -16.969 2.844 -8.797 1.00 1.37 C ATOM 1751 CE LYS A 118 -16.861 4.104 -9.659 1.00 2.40 C ATOM 1752 NZ LYS A 118 -16.531 5.277 -8.821 1.00 4.12 N ATOM 0 H LYS A 118 -15.034 3.696 -4.314 1.00 0.79 H new ATOM 0 HA LYS A 118 -13.633 2.281 -6.467 1.00 0.81 H new ATOM 0 HB2 LYS A 118 -16.106 2.149 -6.067 1.00 1.03 H new ATOM 0 HB3 LYS A 118 -16.216 3.834 -6.536 1.00 1.03 H new ATOM 0 HG2 LYS A 118 -14.824 3.031 -8.662 1.00 1.31 H new ATOM 0 HG3 LYS A 118 -15.430 1.447 -8.221 1.00 1.31 H new ATOM 0 HD2 LYS A 118 -17.291 2.004 -9.413 1.00 1.37 H new ATOM 0 HD3 LYS A 118 -17.730 2.988 -8.030 1.00 1.37 H new ATOM 0 HE2 LYS A 118 -16.094 3.966 -10.421 1.00 2.40 H new ATOM 0 HE3 LYS A 118 -17.802 4.276 -10.182 1.00 2.40 H new ATOM 0 HZ1 LYS A 118 -16.561 6.139 -9.403 1.00 4.12 H new ATOM 0 HZ2 LYS A 118 -17.222 5.357 -8.048 1.00 4.12 H new ATOM 0 HZ3 LYS A 118 -15.577 5.162 -8.422 1.00 4.12 H new ATOM 1766 N THR A 119 -12.196 4.360 -6.745 1.00 0.82 N ATOM 1767 CA THR A 119 -11.416 5.466 -7.274 1.00 0.76 C ATOM 1768 C THR A 119 -11.129 5.252 -8.760 1.00 0.77 C ATOM 1769 O THR A 119 -10.101 4.680 -9.122 1.00 0.82 O ATOM 1770 CB THR A 119 -10.151 5.602 -6.423 1.00 0.92 C ATOM 1771 OG1 THR A 119 -9.508 4.337 -6.553 1.00 1.16 O ATOM 1772 CG2 THR A 119 -10.459 5.713 -4.929 1.00 0.85 C ATOM 0 H THR A 119 -11.643 3.597 -6.353 1.00 0.82 H new ATOM 0 HA THR A 119 -11.967 6.404 -7.214 1.00 0.76 H new ATOM 0 HB THR A 119 -9.591 6.480 -6.743 1.00 0.92 H new ATOM 0 HG1 THR A 119 -9.460 3.903 -5.676 1.00 1.16 H new ATOM 0 HG21 THR A 119 -9.527 5.807 -4.371 1.00 0.85 H new ATOM 0 HG22 THR A 119 -11.080 6.591 -4.750 1.00 0.85 H new ATOM 0 HG23 THR A 119 -10.990 4.820 -4.600 1.00 0.85 H new ATOM 1780 N GLU A 120 -12.054 5.724 -9.584 1.00 0.78 N ATOM 1781 CA GLU A 120 -11.975 5.485 -11.014 1.00 0.85 C ATOM 1782 C GLU A 120 -11.032 6.496 -11.670 1.00 0.89 C ATOM 1783 O GLU A 120 -10.678 6.352 -12.840 1.00 0.97 O ATOM 1784 CB GLU A 120 -13.363 5.534 -11.656 1.00 1.03 C ATOM 1785 CG GLU A 120 -13.877 6.972 -11.742 1.00 2.09 C ATOM 1786 CD GLU A 120 -15.402 7.004 -11.861 1.00 2.54 C ATOM 1787 OE1 GLU A 120 -16.054 6.968 -10.795 1.00 3.18 O ATOM 1788 OE2 GLU A 120 -15.881 7.063 -13.014 1.00 3.20 O ATOM 0 H GLU A 120 -12.862 6.271 -9.287 1.00 0.78 H new ATOM 0 HA GLU A 120 -11.572 4.485 -11.173 1.00 0.85 H new ATOM 0 HB2 GLU A 120 -13.321 5.099 -12.654 1.00 1.03 H new ATOM 0 HB3 GLU A 120 -14.058 4.930 -11.074 1.00 1.03 H new ATOM 0 HG2 GLU A 120 -13.566 7.526 -10.856 1.00 2.09 H new ATOM 0 HG3 GLU A 120 -13.431 7.470 -12.603 1.00 2.09 H new ATOM 1795 N TRP A 121 -10.653 7.496 -10.888 1.00 0.91 N ATOM 1796 CA TRP A 121 -9.806 8.563 -11.395 1.00 1.01 C ATOM 1797 C TRP A 121 -8.349 8.159 -11.167 1.00 0.97 C ATOM 1798 O TRP A 121 -7.433 8.863 -11.589 1.00 1.06 O ATOM 1799 CB TRP A 121 -10.165 9.902 -10.749 1.00 1.09 C ATOM 1800 CG TRP A 121 -9.675 10.047 -9.307 1.00 1.04 C ATOM 1801 CD1 TRP A 121 -8.477 10.469 -8.881 1.00 1.06 C ATOM 1802 CD2 TRP A 121 -10.425 9.751 -8.110 1.00 1.01 C ATOM 1803 NE1 TRP A 121 -8.400 10.468 -7.502 1.00 1.04 N ATOM 1804 CE2 TRP A 121 -9.623 10.017 -7.019 1.00 1.00 C ATOM 1805 CE3 TRP A 121 -11.739 9.274 -7.954 1.00 1.02 C ATOM 1806 CZ2 TRP A 121 -10.043 9.837 -5.696 1.00 1.00 C ATOM 1807 CZ3 TRP A 121 -12.144 9.100 -6.625 1.00 1.01 C ATOM 1808 CH2 TRP A 121 -11.348 9.363 -5.517 1.00 1.00 C ATOM 0 H TRP A 121 -10.917 7.590 -9.907 1.00 0.91 H new ATOM 0 HA TRP A 121 -9.963 8.706 -12.464 1.00 1.01 H new ATOM 0 HB2 TRP A 121 -9.742 10.708 -11.349 1.00 1.09 H new ATOM 0 HB3 TRP A 121 -11.248 10.025 -10.768 1.00 1.09 H new ATOM 0 HD1 TRP A 121 -7.672 10.772 -9.534 1.00 1.06 H new ATOM 0 HE1 TRP A 121 -7.595 10.747 -6.942 1.00 1.04 H new ATOM 0 HE3 TRP A 121 -12.384 9.059 -8.793 1.00 1.02 H new ATOM 0 HZ2 TRP A 121 -9.396 10.052 -4.859 1.00 1.00 H new ATOM 0 HZ3 TRP A 121 -13.145 8.736 -6.449 1.00 1.01 H new ATOM 0 HH2 TRP A 121 -11.735 9.202 -4.521 1.00 1.00 H new ATOM 1819 N LEU A 122 -8.178 7.028 -10.498 1.00 0.88 N ATOM 1820 CA LEU A 122 -6.853 6.469 -10.297 1.00 0.87 C ATOM 1821 C LEU A 122 -6.668 5.262 -11.220 1.00 0.85 C ATOM 1822 O LEU A 122 -5.598 4.655 -11.247 1.00 0.96 O ATOM 1823 CB LEU A 122 -6.623 6.152 -8.818 1.00 0.81 C ATOM 1824 CG LEU A 122 -6.742 7.334 -7.854 1.00 0.93 C ATOM 1825 CD1 LEU A 122 -6.616 6.870 -6.401 1.00 0.98 C ATOM 1826 CD2 LEU A 122 -5.726 8.426 -8.196 1.00 1.06 C ATOM 0 H LEU A 122 -8.937 6.483 -10.088 1.00 0.88 H new ATOM 0 HA LEU A 122 -6.088 7.198 -10.566 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -7.339 5.388 -8.515 1.00 0.81 H new ATOM 0 HB3 LEU A 122 -5.629 5.719 -8.710 1.00 0.81 H new ATOM 0 HG LEU A 122 -7.734 7.770 -7.969 1.00 0.93 H new ATOM 0 HD11 LEU A 122 -6.704 7.729 -5.736 1.00 0.98 H new ATOM 0 HD12 LEU A 122 -7.408 6.155 -6.177 1.00 0.98 H new ATOM 0 HD13 LEU A 122 -5.646 6.395 -6.254 1.00 0.98 H new ATOM 0 HD21 LEU A 122 -5.832 9.254 -7.495 1.00 1.06 H new ATOM 0 HD22 LEU A 122 -4.717 8.019 -8.126 1.00 1.06 H new ATOM 0 HD23 LEU A 122 -5.904 8.784 -9.210 1.00 1.06 H new ATOM 1838 N ASP A 123 -7.726 4.951 -11.955 1.00 0.84 N ATOM 1839 CA ASP A 123 -7.712 3.797 -12.836 1.00 0.90 C ATOM 1840 C ASP A 123 -6.754 4.060 -14.000 1.00 1.15 C ATOM 1841 O ASP A 123 -6.917 5.031 -14.735 1.00 2.50 O ATOM 1842 CB ASP A 123 -9.102 3.531 -13.419 1.00 0.92 C ATOM 1843 CG ASP A 123 -9.215 2.264 -14.269 1.00 1.05 C ATOM 1844 OD1 ASP A 123 -8.271 1.448 -14.200 1.00 2.02 O ATOM 1845 OD2 ASP A 123 -10.243 2.141 -14.970 1.00 1.90 O ATOM 0 H ASP A 123 -8.599 5.479 -11.958 1.00 0.84 H new ATOM 0 HA ASP A 123 -7.394 2.933 -12.253 1.00 0.90 H new ATOM 0 HB2 ASP A 123 -9.817 3.465 -12.599 1.00 0.92 H new ATOM 0 HB3 ASP A 123 -9.394 4.386 -14.028 1.00 0.92 H new ATOM 1850 N GLY A 124 -5.774 3.176 -14.129 1.00 1.74 N ATOM 1851 CA GLY A 124 -4.803 3.288 -15.204 1.00 1.88 C ATOM 1852 C GLY A 124 -3.525 3.975 -14.718 1.00 2.05 C ATOM 1853 O GLY A 124 -2.486 3.893 -15.369 1.00 2.87 O ATOM 0 H GLY A 124 -5.632 2.380 -13.507 1.00 1.74 H new ATOM 0 HA2 GLY A 124 -4.564 2.296 -15.588 1.00 1.88 H new ATOM 0 HA3 GLY A 124 -5.233 3.854 -16.030 1.00 1.88 H new ATOM 1857 N LYS A 125 -3.645 4.638 -13.576 1.00 1.55 N ATOM 1858 CA LYS A 125 -2.520 5.361 -13.009 1.00 1.69 C ATOM 1859 C LYS A 125 -1.817 4.476 -11.978 1.00 1.62 C ATOM 1860 O LYS A 125 -0.595 4.338 -12.002 1.00 1.82 O ATOM 1861 CB LYS A 125 -2.975 6.712 -12.454 1.00 1.75 C ATOM 1862 CG LYS A 125 -1.940 7.801 -12.739 1.00 2.67 C ATOM 1863 CD LYS A 125 -0.602 7.473 -12.072 1.00 4.27 C ATOM 1864 CE LYS A 125 0.331 8.685 -12.090 1.00 5.31 C ATOM 1865 NZ LYS A 125 1.677 8.311 -11.601 1.00 6.90 N ATOM 0 H LYS A 125 -4.504 4.689 -13.029 1.00 1.55 H new ATOM 0 HA LYS A 125 -1.787 5.592 -13.782 1.00 1.69 H new ATOM 0 HB2 LYS A 125 -3.931 6.989 -12.900 1.00 1.75 H new ATOM 0 HB3 LYS A 125 -3.136 6.631 -11.379 1.00 1.75 H new ATOM 0 HG2 LYS A 125 -1.799 7.901 -13.815 1.00 2.67 H new ATOM 0 HG3 LYS A 125 -2.307 8.761 -12.375 1.00 2.67 H new ATOM 0 HD2 LYS A 125 -0.773 7.156 -11.043 1.00 4.27 H new ATOM 0 HD3 LYS A 125 -0.129 6.638 -12.589 1.00 4.27 H new ATOM 0 HE2 LYS A 125 0.403 9.081 -13.103 1.00 5.31 H new ATOM 0 HE3 LYS A 125 -0.081 9.478 -11.466 1.00 5.31 H new ATOM 0 HZ1 LYS A 125 2.344 9.086 -11.792 1.00 6.90 H new ATOM 0 HZ2 LYS A 125 1.637 8.133 -10.577 1.00 6.90 H new ATOM 0 HZ3 LYS A 125 1.997 7.451 -12.090 1.00 6.90 H new ATOM 1879 N HIS A 126 -2.621 3.900 -11.095 1.00 1.45 N ATOM 1880 CA HIS A 126 -2.090 3.048 -10.044 1.00 1.43 C ATOM 1881 C HIS A 126 -1.996 1.607 -10.550 1.00 1.25 C ATOM 1882 O HIS A 126 -2.903 1.123 -11.224 1.00 1.72 O ATOM 1883 CB HIS A 126 -2.924 3.176 -8.768 1.00 1.46 C ATOM 1884 CG HIS A 126 -2.790 4.513 -8.078 1.00 1.72 C ATOM 1885 ND1 HIS A 126 -1.983 5.528 -8.559 1.00 1.23 N ATOM 1886 CD2 HIS A 126 -3.373 4.990 -6.941 1.00 2.89 C ATOM 1887 CE1 HIS A 126 -2.079 6.564 -7.740 1.00 1.52 C ATOM 1888 NE2 HIS A 126 -2.941 6.229 -6.736 1.00 2.67 N ATOM 0 H HIS A 126 -3.635 4.007 -11.086 1.00 1.45 H new ATOM 0 HA HIS A 126 -1.082 3.371 -9.783 1.00 1.43 H new ATOM 0 HB2 HIS A 126 -3.973 3.009 -9.013 1.00 1.46 H new ATOM 0 HB3 HIS A 126 -2.630 2.389 -8.073 1.00 1.46 H new ATOM 0 HD1 HIS A 126 -1.411 5.486 -9.402 1.00 1.23 H new ATOM 0 HD2 HIS A 126 -4.068 4.452 -6.314 1.00 2.89 H new ATOM 0 HE1 HIS A 126 -1.566 7.508 -7.847 1.00 1.52 H new ATOM 1896 N VAL A 127 -0.891 0.965 -10.205 1.00 1.31 N ATOM 1897 CA VAL A 127 -0.659 -0.406 -10.629 1.00 1.18 C ATOM 1898 C VAL A 127 -1.408 -1.358 -9.694 1.00 1.10 C ATOM 1899 O VAL A 127 -1.102 -1.435 -8.505 1.00 1.62 O ATOM 1900 CB VAL A 127 0.843 -0.688 -10.691 1.00 1.27 C ATOM 1901 CG1 VAL A 127 1.115 -2.190 -10.800 1.00 1.24 C ATOM 1902 CG2 VAL A 127 1.496 0.073 -11.846 1.00 1.38 C ATOM 0 H VAL A 127 -0.146 1.368 -9.637 1.00 1.31 H new ATOM 0 HA VAL A 127 -1.047 -0.565 -11.635 1.00 1.18 H new ATOM 0 HB VAL A 127 1.289 -0.334 -9.762 1.00 1.27 H new ATOM 0 HG11 VAL A 127 2.190 -2.363 -10.842 1.00 1.24 H new ATOM 0 HG12 VAL A 127 0.700 -2.699 -9.930 1.00 1.24 H new ATOM 0 HG13 VAL A 127 0.649 -2.579 -11.705 1.00 1.24 H new ATOM 0 HG21 VAL A 127 2.564 -0.145 -11.868 1.00 1.38 H new ATOM 0 HG22 VAL A 127 1.043 -0.237 -12.788 1.00 1.38 H new ATOM 0 HG23 VAL A 127 1.347 1.144 -11.707 1.00 1.38 H new ATOM 1912 N VAL A 128 -2.376 -2.059 -10.266 1.00 0.61 N ATOM 1913 CA VAL A 128 -3.135 -3.042 -9.511 1.00 0.50 C ATOM 1914 C VAL A 128 -2.562 -4.436 -9.780 1.00 0.53 C ATOM 1915 O VAL A 128 -2.369 -4.821 -10.931 1.00 0.71 O ATOM 1916 CB VAL A 128 -4.622 -2.930 -9.854 1.00 0.53 C ATOM 1917 CG1 VAL A 128 -5.461 -3.835 -8.950 1.00 0.71 C ATOM 1918 CG2 VAL A 128 -5.095 -1.478 -9.769 1.00 0.57 C ATOM 0 H VAL A 128 -2.652 -1.966 -11.243 1.00 0.61 H new ATOM 0 HA VAL A 128 -3.047 -2.855 -8.441 1.00 0.50 H new ATOM 0 HB VAL A 128 -4.757 -3.266 -10.882 1.00 0.53 H new ATOM 0 HG11 VAL A 128 -6.514 -3.737 -9.214 1.00 0.71 H new ATOM 0 HG12 VAL A 128 -5.149 -4.871 -9.082 1.00 0.71 H new ATOM 0 HG13 VAL A 128 -5.319 -3.543 -7.910 1.00 0.71 H new ATOM 0 HG21 VAL A 128 -6.155 -1.426 -10.017 1.00 0.57 H new ATOM 0 HG22 VAL A 128 -4.940 -1.104 -8.757 1.00 0.57 H new ATOM 0 HG23 VAL A 128 -4.527 -0.869 -10.472 1.00 0.57 H new ATOM 1928 N PHE A 129 -2.310 -5.154 -8.695 1.00 0.70 N ATOM 1929 CA PHE A 129 -1.686 -6.463 -8.793 1.00 0.83 C ATOM 1930 C PHE A 129 -2.039 -7.332 -7.585 1.00 0.94 C ATOM 1931 O PHE A 129 -1.281 -8.227 -7.217 1.00 1.16 O ATOM 1932 CB PHE A 129 -0.173 -6.238 -8.819 1.00 0.98 C ATOM 1933 CG PHE A 129 0.422 -5.856 -7.463 1.00 1.52 C ATOM 1934 CD1 PHE A 129 0.111 -4.660 -6.895 1.00 2.21 C ATOM 1935 CD2 PHE A 129 1.263 -6.714 -6.823 1.00 2.95 C ATOM 1936 CE1 PHE A 129 0.663 -4.307 -5.635 1.00 2.97 C ATOM 1937 CE2 PHE A 129 1.815 -6.361 -5.564 1.00 3.74 C ATOM 1938 CZ PHE A 129 1.504 -5.165 -4.996 1.00 3.36 C ATOM 0 H PHE A 129 -2.526 -4.854 -7.744 1.00 0.70 H new ATOM 0 HA PHE A 129 -2.037 -6.974 -9.689 1.00 0.83 H new ATOM 0 HB2 PHE A 129 0.313 -7.146 -9.175 1.00 0.98 H new ATOM 0 HB3 PHE A 129 0.055 -5.452 -9.539 1.00 0.98 H new ATOM 0 HD1 PHE A 129 -0.556 -3.979 -7.402 1.00 2.21 H new ATOM 0 HD2 PHE A 129 1.510 -7.664 -7.274 1.00 2.95 H new ATOM 0 HE1 PHE A 129 0.415 -3.357 -5.184 1.00 2.97 H new ATOM 0 HE2 PHE A 129 2.482 -7.042 -5.057 1.00 3.74 H new ATOM 0 HZ PHE A 129 1.924 -4.896 -4.038 1.00 3.36 H new ATOM 1948 N GLY A 130 -3.191 -7.036 -7.002 1.00 0.84 N ATOM 1949 CA GLY A 130 -3.630 -7.744 -5.810 1.00 0.89 C ATOM 1950 C GLY A 130 -5.062 -7.355 -5.437 1.00 0.87 C ATOM 1951 O GLY A 130 -5.693 -6.557 -6.130 1.00 1.09 O ATOM 0 H GLY A 130 -3.834 -6.316 -7.332 1.00 0.84 H new ATOM 0 HA2 GLY A 130 -3.574 -8.819 -5.980 1.00 0.89 H new ATOM 0 HA3 GLY A 130 -2.960 -7.517 -4.981 1.00 0.89 H new ATOM 1955 N LYS A 131 -5.534 -7.937 -4.345 1.00 0.70 N ATOM 1956 CA LYS A 131 -6.905 -7.720 -3.914 1.00 0.79 C ATOM 1957 C LYS A 131 -7.026 -8.055 -2.426 1.00 0.76 C ATOM 1958 O LYS A 131 -6.440 -9.029 -1.956 1.00 0.95 O ATOM 1959 CB LYS A 131 -7.876 -8.501 -4.801 1.00 0.93 C ATOM 1960 CG LYS A 131 -9.303 -8.418 -4.257 1.00 1.42 C ATOM 1961 CD LYS A 131 -9.672 -9.690 -3.491 1.00 1.87 C ATOM 1962 CE LYS A 131 -10.080 -10.810 -4.450 1.00 2.21 C ATOM 1963 NZ LYS A 131 -10.272 -12.079 -3.714 1.00 3.17 N ATOM 0 H LYS A 131 -4.992 -8.559 -3.745 1.00 0.70 H new ATOM 0 HA LYS A 131 -7.179 -6.671 -4.029 1.00 0.79 H new ATOM 0 HB2 LYS A 131 -7.846 -8.105 -5.816 1.00 0.93 H new ATOM 0 HB3 LYS A 131 -7.564 -9.544 -4.857 1.00 0.93 H new ATOM 0 HG2 LYS A 131 -9.396 -7.553 -3.600 1.00 1.42 H new ATOM 0 HG3 LYS A 131 -10.002 -8.269 -5.080 1.00 1.42 H new ATOM 0 HD2 LYS A 131 -8.824 -10.014 -2.888 1.00 1.87 H new ATOM 0 HD3 LYS A 131 -10.491 -9.480 -2.803 1.00 1.87 H new ATOM 0 HE2 LYS A 131 -11.002 -10.538 -4.964 1.00 2.21 H new ATOM 0 HE3 LYS A 131 -9.314 -10.939 -5.215 1.00 2.21 H new ATOM 0 HZ1 LYS A 131 -10.432 -12.852 -4.391 1.00 3.17 H new ATOM 0 HZ2 LYS A 131 -9.424 -12.284 -3.148 1.00 3.17 H new ATOM 0 HZ3 LYS A 131 -11.096 -11.994 -3.085 1.00 3.17 H new ATOM 1977 N VAL A 132 -7.789 -7.229 -1.726 1.00 0.62 N ATOM 1978 CA VAL A 132 -8.027 -7.449 -0.309 1.00 0.63 C ATOM 1979 C VAL A 132 -9.180 -8.440 -0.138 1.00 0.87 C ATOM 1980 O VAL A 132 -10.334 -8.108 -0.404 1.00 1.15 O ATOM 1981 CB VAL A 132 -8.279 -6.112 0.392 1.00 0.60 C ATOM 1982 CG1 VAL A 132 -8.309 -6.288 1.912 1.00 0.69 C ATOM 1983 CG2 VAL A 132 -7.234 -5.072 -0.019 1.00 0.86 C ATOM 0 H VAL A 132 -8.251 -6.406 -2.113 1.00 0.62 H new ATOM 0 HA VAL A 132 -7.148 -7.888 0.163 1.00 0.63 H new ATOM 0 HB VAL A 132 -9.257 -5.747 0.077 1.00 0.60 H new ATOM 0 HG11 VAL A 132 -8.490 -5.323 2.386 1.00 0.69 H new ATOM 0 HG12 VAL A 132 -9.106 -6.980 2.182 1.00 0.69 H new ATOM 0 HG13 VAL A 132 -7.353 -6.686 2.251 1.00 0.69 H new ATOM 0 HG21 VAL A 132 -7.436 -4.131 0.493 1.00 0.86 H new ATOM 0 HG22 VAL A 132 -6.240 -5.427 0.253 1.00 0.86 H new ATOM 0 HG23 VAL A 132 -7.281 -4.916 -1.097 1.00 0.86 H new ATOM 1993 N LYS A 133 -8.827 -9.637 0.306 1.00 1.12 N ATOM 1994 CA LYS A 133 -9.806 -10.700 0.451 1.00 1.41 C ATOM 1995 C LYS A 133 -10.337 -10.706 1.886 1.00 1.17 C ATOM 1996 O LYS A 133 -11.504 -11.016 2.118 1.00 2.08 O ATOM 1997 CB LYS A 133 -9.213 -12.040 0.010 1.00 1.92 C ATOM 1998 CG LYS A 133 -7.978 -12.393 0.840 1.00 1.54 C ATOM 1999 CD LYS A 133 -7.875 -13.905 1.055 1.00 1.64 C ATOM 2000 CE LYS A 133 -7.567 -14.625 -0.259 1.00 2.49 C ATOM 2001 NZ LYS A 133 -7.521 -16.090 -0.049 1.00 3.23 N ATOM 0 H LYS A 133 -7.876 -9.894 0.570 1.00 1.12 H new ATOM 0 HA LYS A 133 -10.658 -10.524 -0.205 1.00 1.41 H new ATOM 0 HB2 LYS A 133 -9.962 -12.825 0.114 1.00 1.92 H new ATOM 0 HB3 LYS A 133 -8.945 -11.993 -1.045 1.00 1.92 H new ATOM 0 HG2 LYS A 133 -7.081 -12.032 0.336 1.00 1.54 H new ATOM 0 HG3 LYS A 133 -8.027 -11.887 1.804 1.00 1.54 H new ATOM 0 HD2 LYS A 133 -7.093 -14.120 1.784 1.00 1.64 H new ATOM 0 HD3 LYS A 133 -8.810 -14.282 1.470 1.00 1.64 H new ATOM 0 HE2 LYS A 133 -8.328 -14.382 -1.001 1.00 2.49 H new ATOM 0 HE3 LYS A 133 -6.613 -14.278 -0.655 1.00 2.49 H new ATOM 0 HZ1 LYS A 133 -7.311 -16.564 -0.951 1.00 3.23 H new ATOM 0 HZ2 LYS A 133 -6.779 -16.318 0.643 1.00 3.23 H new ATOM 0 HZ3 LYS A 133 -8.441 -16.419 0.308 1.00 3.23 H new ATOM 2015 N GLU A 134 -9.455 -10.359 2.811 1.00 0.87 N ATOM 2016 CA GLU A 134 -9.755 -10.508 4.225 1.00 0.86 C ATOM 2017 C GLU A 134 -9.036 -9.428 5.037 1.00 0.95 C ATOM 2018 O GLU A 134 -7.888 -9.094 4.751 1.00 1.81 O ATOM 2019 CB GLU A 134 -9.382 -11.907 4.720 1.00 1.31 C ATOM 2020 CG GLU A 134 -10.293 -12.969 4.102 1.00 2.15 C ATOM 2021 CD GLU A 134 -9.914 -14.369 4.590 1.00 2.60 C ATOM 2022 OE1 GLU A 134 -10.364 -14.725 5.699 1.00 2.44 O ATOM 2023 OE2 GLU A 134 -9.180 -15.050 3.842 1.00 3.68 O ATOM 0 H GLU A 134 -8.532 -9.975 2.609 1.00 0.87 H new ATOM 0 HA GLU A 134 -10.829 -10.384 4.364 1.00 0.86 H new ATOM 0 HB2 GLU A 134 -8.344 -12.121 4.466 1.00 1.31 H new ATOM 0 HB3 GLU A 134 -9.459 -11.945 5.807 1.00 1.31 H new ATOM 0 HG2 GLU A 134 -11.331 -12.758 4.361 1.00 2.15 H new ATOM 0 HG3 GLU A 134 -10.221 -12.927 3.015 1.00 2.15 H new ATOM 2030 N GLY A 135 -9.742 -8.915 6.033 1.00 0.69 N ATOM 2031 CA GLY A 135 -9.115 -8.069 7.036 1.00 0.77 C ATOM 2032 C GLY A 135 -9.277 -6.589 6.683 1.00 0.80 C ATOM 2033 O GLY A 135 -8.692 -5.724 7.334 1.00 0.94 O ATOM 0 H GLY A 135 -10.741 -9.068 6.168 1.00 0.69 H new ATOM 0 HA2 GLY A 135 -9.560 -8.265 8.012 1.00 0.77 H new ATOM 0 HA3 GLY A 135 -8.056 -8.314 7.113 1.00 0.77 H new ATOM 2037 N MET A 136 -10.075 -6.343 5.654 1.00 0.84 N ATOM 2038 CA MET A 136 -10.270 -4.988 5.166 1.00 1.11 C ATOM 2039 C MET A 136 -10.997 -4.131 6.203 1.00 0.97 C ATOM 2040 O MET A 136 -10.967 -2.903 6.131 1.00 1.01 O ATOM 2041 CB MET A 136 -11.084 -5.024 3.872 1.00 1.44 C ATOM 2042 CG MET A 136 -12.584 -5.066 4.168 1.00 1.40 C ATOM 2043 SD MET A 136 -13.226 -3.406 4.307 1.00 2.65 S ATOM 2044 CE MET A 136 -12.873 -2.798 2.666 1.00 1.18 C ATOM 0 H MET A 136 -10.594 -7.059 5.145 1.00 0.84 H new ATOM 0 HA MET A 136 -9.292 -4.545 4.978 1.00 1.11 H new ATOM 0 HB2 MET A 136 -10.853 -4.146 3.269 1.00 1.44 H new ATOM 0 HB3 MET A 136 -10.801 -5.898 3.285 1.00 1.44 H new ATOM 0 HG2 MET A 136 -13.105 -5.601 3.374 1.00 1.40 H new ATOM 0 HG3 MET A 136 -12.765 -5.613 5.093 1.00 1.40 H new ATOM 0 HE1 MET A 136 -13.585 -2.014 2.408 1.00 1.18 H new ATOM 0 HE2 MET A 136 -11.861 -2.393 2.638 1.00 1.18 H new ATOM 0 HE3 MET A 136 -12.957 -3.615 1.949 1.00 1.18 H new ATOM 2054 N ASN A 137 -11.633 -4.811 7.146 1.00 0.85 N ATOM 2055 CA ASN A 137 -12.381 -4.127 8.187 1.00 0.81 C ATOM 2056 C ASN A 137 -11.404 -3.526 9.199 1.00 0.64 C ATOM 2057 O ASN A 137 -11.729 -2.554 9.879 1.00 0.63 O ATOM 2058 CB ASN A 137 -13.297 -5.098 8.934 1.00 0.83 C ATOM 2059 CG ASN A 137 -12.523 -6.328 9.410 1.00 1.95 C ATOM 2060 OD1 ASN A 137 -11.581 -6.783 8.780 1.00 3.46 O ATOM 2061 ND2 ASN A 137 -12.970 -6.840 10.553 1.00 2.37 N ATOM 0 H ASN A 137 -11.646 -5.829 7.211 1.00 0.85 H new ATOM 0 HA ASN A 137 -12.985 -3.352 7.715 1.00 0.81 H new ATOM 0 HB2 ASN A 137 -13.747 -4.594 9.789 1.00 0.83 H new ATOM 0 HB3 ASN A 137 -14.113 -5.408 8.281 1.00 0.83 H new ATOM 0 HD21 ASN A 137 -12.520 -7.663 10.954 1.00 2.37 H new ATOM 0 HD22 ASN A 137 -13.763 -6.410 11.029 1.00 2.37 H new ATOM 2068 N ILE A 138 -10.226 -4.130 9.268 1.00 0.60 N ATOM 2069 CA ILE A 138 -9.161 -3.602 10.104 1.00 0.59 C ATOM 2070 C ILE A 138 -8.595 -2.334 9.462 1.00 0.68 C ATOM 2071 O ILE A 138 -8.222 -1.393 10.161 1.00 0.75 O ATOM 2072 CB ILE A 138 -8.108 -4.677 10.374 1.00 0.60 C ATOM 2073 CG1 ILE A 138 -8.515 -5.559 11.557 1.00 0.85 C ATOM 2074 CG2 ILE A 138 -6.725 -4.054 10.573 1.00 0.70 C ATOM 2075 CD1 ILE A 138 -9.621 -6.538 11.155 1.00 1.37 C ATOM 0 H ILE A 138 -9.986 -4.980 8.758 1.00 0.60 H new ATOM 0 HA ILE A 138 -9.550 -3.318 11.082 1.00 0.59 H new ATOM 0 HB ILE A 138 -8.047 -5.322 9.497 1.00 0.60 H new ATOM 0 HG12 ILE A 138 -7.648 -6.112 11.918 1.00 0.85 H new ATOM 0 HG13 ILE A 138 -8.860 -4.933 12.380 1.00 0.85 H new ATOM 0 HG21 ILE A 138 -5.995 -4.841 10.763 1.00 0.70 H new ATOM 0 HG22 ILE A 138 -6.441 -3.505 9.675 1.00 0.70 H new ATOM 0 HG23 ILE A 138 -6.752 -3.371 11.422 1.00 0.70 H new ATOM 0 HD11 ILE A 138 -9.892 -7.153 12.013 1.00 1.37 H new ATOM 0 HD12 ILE A 138 -10.495 -5.981 10.817 1.00 1.37 H new ATOM 0 HD13 ILE A 138 -9.265 -7.178 10.348 1.00 1.37 H new ATOM 2087 N VAL A 139 -8.549 -2.349 8.138 1.00 0.74 N ATOM 2088 CA VAL A 139 -8.128 -1.178 7.389 1.00 0.84 C ATOM 2089 C VAL A 139 -9.144 -0.053 7.596 1.00 0.86 C ATOM 2090 O VAL A 139 -8.768 1.109 7.743 1.00 0.92 O ATOM 2091 CB VAL A 139 -7.929 -1.541 5.916 1.00 0.93 C ATOM 2092 CG1 VAL A 139 -7.711 -0.286 5.067 1.00 1.08 C ATOM 2093 CG2 VAL A 139 -6.772 -2.527 5.745 1.00 0.95 C ATOM 0 H VAL A 139 -8.797 -3.155 7.564 1.00 0.74 H new ATOM 0 HA VAL A 139 -7.166 -0.818 7.753 1.00 0.84 H new ATOM 0 HB VAL A 139 -8.838 -2.029 5.565 1.00 0.93 H new ATOM 0 HG11 VAL A 139 -7.572 -0.572 4.024 1.00 1.08 H new ATOM 0 HG12 VAL A 139 -8.580 0.366 5.152 1.00 1.08 H new ATOM 0 HG13 VAL A 139 -6.825 0.242 5.419 1.00 1.08 H new ATOM 0 HG21 VAL A 139 -6.652 -2.768 4.689 1.00 0.95 H new ATOM 0 HG22 VAL A 139 -5.853 -2.078 6.121 1.00 0.95 H new ATOM 0 HG23 VAL A 139 -6.985 -3.439 6.303 1.00 0.95 H new ATOM 2103 N GLU A 140 -10.412 -0.438 7.602 1.00 0.83 N ATOM 2104 CA GLU A 140 -11.485 0.521 7.800 1.00 0.87 C ATOM 2105 C GLU A 140 -11.450 1.069 9.229 1.00 0.84 C ATOM 2106 O GLU A 140 -11.781 2.230 9.460 1.00 0.88 O ATOM 2107 CB GLU A 140 -12.845 -0.104 7.487 1.00 0.90 C ATOM 2108 CG GLU A 140 -13.835 0.954 6.994 1.00 1.01 C ATOM 2109 CD GLU A 140 -15.222 0.346 6.774 1.00 1.84 C ATOM 2110 OE1 GLU A 140 -15.823 -0.076 7.784 1.00 2.99 O ATOM 2111 OE2 GLU A 140 -15.649 0.319 5.600 1.00 2.82 O ATOM 0 H GLU A 140 -10.720 -1.402 7.473 1.00 0.83 H new ATOM 0 HA GLU A 140 -11.336 1.350 7.109 1.00 0.87 H new ATOM 0 HB2 GLU A 140 -12.727 -0.878 6.729 1.00 0.90 H new ATOM 0 HB3 GLU A 140 -13.240 -0.589 8.379 1.00 0.90 H new ATOM 0 HG2 GLU A 140 -13.900 1.763 7.721 1.00 1.01 H new ATOM 0 HG3 GLU A 140 -13.473 1.390 6.063 1.00 1.01 H new ATOM 2118 N ALA A 141 -11.045 0.206 10.149 1.00 0.82 N ATOM 2119 CA ALA A 141 -11.028 0.567 11.556 1.00 0.84 C ATOM 2120 C ALA A 141 -10.124 1.783 11.756 1.00 0.81 C ATOM 2121 O ALA A 141 -10.528 2.767 12.376 1.00 0.89 O ATOM 2122 CB ALA A 141 -10.576 -0.637 12.386 1.00 0.92 C ATOM 0 H ALA A 141 -10.726 -0.742 9.948 1.00 0.82 H new ATOM 0 HA ALA A 141 -12.028 0.841 11.894 1.00 0.84 H new ATOM 0 HB1 ALA A 141 -10.563 -0.367 13.442 1.00 0.92 H new ATOM 0 HB2 ALA A 141 -11.267 -1.465 12.232 1.00 0.92 H new ATOM 0 HB3 ALA A 141 -9.575 -0.937 12.076 1.00 0.92 H new ATOM 2128 N MET A 142 -8.917 1.679 11.219 1.00 0.90 N ATOM 2129 CA MET A 142 -7.898 2.686 11.465 1.00 1.11 C ATOM 2130 C MET A 142 -8.180 3.957 10.662 1.00 1.03 C ATOM 2131 O MET A 142 -7.529 4.981 10.864 1.00 1.02 O ATOM 2132 CB MET A 142 -6.526 2.131 11.077 1.00 1.50 C ATOM 2133 CG MET A 142 -6.445 1.872 9.572 1.00 1.16 C ATOM 2134 SD MET A 142 -4.786 2.177 8.988 1.00 1.37 S ATOM 2135 CE MET A 142 -4.647 0.887 7.763 1.00 1.31 C ATOM 0 H MET A 142 -8.622 0.913 10.614 1.00 0.90 H new ATOM 0 HA MET A 142 -7.911 2.937 12.526 1.00 1.11 H new ATOM 0 HB2 MET A 142 -5.748 2.836 11.371 1.00 1.50 H new ATOM 0 HB3 MET A 142 -6.338 1.205 11.620 1.00 1.50 H new ATOM 0 HG2 MET A 142 -6.732 0.843 9.356 1.00 1.16 H new ATOM 0 HG3 MET A 142 -7.149 2.516 9.045 1.00 1.16 H new ATOM 0 HE1 MET A 142 -3.630 0.865 7.372 1.00 1.31 H new ATOM 0 HE2 MET A 142 -4.882 -0.075 8.219 1.00 1.31 H new ATOM 0 HE3 MET A 142 -5.344 1.082 6.948 1.00 1.31 H new ATOM 2145 N GLU A 143 -9.152 3.851 9.767 1.00 1.06 N ATOM 2146 CA GLU A 143 -9.541 4.986 8.947 1.00 1.04 C ATOM 2147 C GLU A 143 -10.607 5.816 9.663 1.00 0.95 C ATOM 2148 O GLU A 143 -10.691 7.028 9.467 1.00 1.02 O ATOM 2149 CB GLU A 143 -10.036 4.525 7.575 1.00 1.09 C ATOM 2150 CG GLU A 143 -11.535 4.789 7.415 1.00 2.02 C ATOM 2151 CD GLU A 143 -12.024 4.354 6.032 1.00 1.88 C ATOM 2152 OE1 GLU A 143 -11.433 3.392 5.497 1.00 2.30 O ATOM 2153 OE2 GLU A 143 -12.978 4.995 5.541 1.00 2.50 O ATOM 0 H GLU A 143 -9.681 2.997 9.592 1.00 1.06 H new ATOM 0 HA GLU A 143 -8.664 5.614 8.789 1.00 1.04 H new ATOM 0 HB2 GLU A 143 -9.486 5.047 6.792 1.00 1.09 H new ATOM 0 HB3 GLU A 143 -9.835 3.461 7.451 1.00 1.09 H new ATOM 0 HG2 GLU A 143 -12.087 4.251 8.186 1.00 2.02 H new ATOM 0 HG3 GLU A 143 -11.738 5.850 7.559 1.00 2.02 H new ATOM 2160 N ARG A 144 -11.395 5.133 10.481 1.00 0.95 N ATOM 2161 CA ARG A 144 -12.450 5.794 11.229 1.00 1.10 C ATOM 2162 C ARG A 144 -11.849 6.779 12.235 1.00 1.13 C ATOM 2163 O ARG A 144 -12.480 7.775 12.586 1.00 1.23 O ATOM 2164 CB ARG A 144 -13.315 4.777 11.977 1.00 1.33 C ATOM 2165 CG ARG A 144 -14.362 4.160 11.046 1.00 2.15 C ATOM 2166 CD ARG A 144 -15.360 3.309 11.833 1.00 2.77 C ATOM 2167 NE ARG A 144 -16.440 2.839 10.938 1.00 3.79 N ATOM 2168 CZ ARG A 144 -16.318 1.808 10.089 1.00 4.97 C ATOM 2169 NH1 ARG A 144 -15.175 1.112 10.042 1.00 5.44 N ATOM 2170 NH2 ARG A 144 -17.339 1.475 9.287 1.00 6.30 N ATOM 0 H ARG A 144 -11.323 4.128 10.642 1.00 0.95 H new ATOM 0 HA ARG A 144 -13.075 6.332 10.516 1.00 1.10 H new ATOM 0 HB2 ARG A 144 -12.683 3.991 12.392 1.00 1.33 H new ATOM 0 HB3 ARG A 144 -13.811 5.263 12.817 1.00 1.33 H new ATOM 0 HG2 ARG A 144 -14.892 4.950 10.514 1.00 2.15 H new ATOM 0 HG3 ARG A 144 -13.868 3.545 10.294 1.00 2.15 H new ATOM 0 HD2 ARG A 144 -14.850 2.456 12.280 1.00 2.77 H new ATOM 0 HD3 ARG A 144 -15.782 3.892 12.651 1.00 2.77 H new ATOM 0 HE ARG A 144 -17.334 3.330 10.969 1.00 3.79 H new ATOM 0 HH11 ARG A 144 -14.398 1.366 10.652 1.00 5.44 H new ATOM 0 HH12 ARG A 144 -15.082 0.328 9.397 1.00 5.44 H new ATOM 0 HH21 ARG A 144 -18.209 2.006 9.322 1.00 6.30 H new ATOM 0 HH22 ARG A 144 -17.246 0.691 8.641 1.00 6.30 H new ATOM 2184 N PHE A 145 -10.638 6.466 12.671 1.00 1.22 N ATOM 2185 CA PHE A 145 -9.965 7.286 13.664 1.00 1.40 C ATOM 2186 C PHE A 145 -9.253 8.469 13.005 1.00 1.44 C ATOM 2187 O PHE A 145 -8.670 9.307 13.691 1.00 1.68 O ATOM 2188 CB PHE A 145 -8.924 6.396 14.348 1.00 1.51 C ATOM 2189 CG PHE A 145 -9.513 5.430 15.378 1.00 1.74 C ATOM 2190 CD1 PHE A 145 -10.108 5.913 16.501 1.00 2.78 C ATOM 2191 CD2 PHE A 145 -9.441 4.087 15.170 1.00 2.19 C ATOM 2192 CE1 PHE A 145 -10.654 5.017 17.458 1.00 3.01 C ATOM 2193 CE2 PHE A 145 -9.987 3.191 16.126 1.00 2.60 C ATOM 2194 CZ PHE A 145 -10.582 3.675 17.250 1.00 2.50 C ATOM 0 H PHE A 145 -10.105 5.656 12.355 1.00 1.22 H new ATOM 0 HA PHE A 145 -10.691 7.682 14.374 1.00 1.40 H new ATOM 0 HB2 PHE A 145 -8.395 5.822 13.587 1.00 1.51 H new ATOM 0 HB3 PHE A 145 -8.186 7.030 14.840 1.00 1.51 H new ATOM 0 HD1 PHE A 145 -10.165 6.979 16.665 1.00 2.78 H new ATOM 0 HD2 PHE A 145 -8.969 3.703 14.278 1.00 2.19 H new ATOM 0 HE1 PHE A 145 -11.126 5.401 18.350 1.00 3.01 H new ATOM 0 HE2 PHE A 145 -9.930 2.125 15.961 1.00 2.60 H new ATOM 0 HZ PHE A 145 -10.997 2.993 17.977 1.00 2.50 H new ATOM 2204 N GLY A 146 -9.322 8.498 11.682 1.00 1.34 N ATOM 2205 CA GLY A 146 -8.800 9.628 10.931 1.00 1.44 C ATOM 2206 C GLY A 146 -9.797 10.789 10.924 1.00 1.60 C ATOM 2207 O GLY A 146 -10.667 10.870 11.790 1.00 2.09 O ATOM 0 H GLY A 146 -9.731 7.758 11.111 1.00 1.34 H new ATOM 0 HA2 GLY A 146 -7.857 9.956 11.369 1.00 1.44 H new ATOM 0 HA3 GLY A 146 -8.586 9.321 9.907 1.00 1.44 H new ATOM 2211 N SER A 147 -9.637 11.658 9.937 1.00 1.49 N ATOM 2212 CA SER A 147 -10.492 12.828 9.825 1.00 1.69 C ATOM 2213 C SER A 147 -10.380 13.425 8.421 1.00 1.77 C ATOM 2214 O SER A 147 -9.573 12.970 7.612 1.00 2.06 O ATOM 2215 CB SER A 147 -10.132 13.877 10.879 1.00 2.06 C ATOM 2216 OG SER A 147 -10.870 15.084 10.705 1.00 3.61 O ATOM 0 H SER A 147 -8.929 11.576 9.208 1.00 1.49 H new ATOM 0 HA SER A 147 -11.522 12.517 9.999 1.00 1.69 H new ATOM 0 HB2 SER A 147 -10.326 13.474 11.873 1.00 2.06 H new ATOM 0 HB3 SER A 147 -9.065 14.093 10.825 1.00 2.06 H new ATOM 0 HG SER A 147 -10.250 15.829 10.560 1.00 3.61 H new ATOM 2222 N ARG A 148 -11.202 14.434 8.175 1.00 2.51 N ATOM 2223 CA ARG A 148 -11.309 15.003 6.842 1.00 2.95 C ATOM 2224 C ARG A 148 -10.012 15.725 6.467 1.00 2.86 C ATOM 2225 O ARG A 148 -9.671 15.824 5.290 1.00 3.01 O ATOM 2226 CB ARG A 148 -12.476 15.990 6.756 1.00 3.60 C ATOM 2227 CG ARG A 148 -12.174 17.266 7.543 1.00 3.75 C ATOM 2228 CD ARG A 148 -13.419 18.149 7.655 1.00 4.46 C ATOM 2229 NE ARG A 148 -13.063 19.451 8.262 1.00 5.22 N ATOM 2230 CZ ARG A 148 -12.605 20.502 7.570 1.00 6.12 C ATOM 2231 NH1 ARG A 148 -12.286 20.365 6.276 1.00 6.28 N ATOM 2232 NH2 ARG A 148 -12.464 21.691 8.173 1.00 7.43 N ATOM 0 H ARG A 148 -11.800 14.872 8.875 1.00 2.51 H new ATOM 0 HA ARG A 148 -11.488 14.184 6.146 1.00 2.95 H new ATOM 0 HB2 ARG A 148 -12.670 16.239 5.713 1.00 3.60 H new ATOM 0 HB3 ARG A 148 -13.381 15.524 7.146 1.00 3.60 H new ATOM 0 HG2 ARG A 148 -11.817 17.007 8.540 1.00 3.75 H new ATOM 0 HG3 ARG A 148 -11.374 17.820 7.052 1.00 3.75 H new ATOM 0 HD2 ARG A 148 -13.854 18.305 6.668 1.00 4.46 H new ATOM 0 HD3 ARG A 148 -14.175 17.650 8.261 1.00 4.46 H new ATOM 0 HE ARG A 148 -13.173 19.554 9.271 1.00 5.22 H new ATOM 0 HH11 ARG A 148 -12.392 19.460 5.818 1.00 6.28 H new ATOM 0 HH12 ARG A 148 -11.937 21.166 5.749 1.00 6.28 H new ATOM 0 HH21 ARG A 148 -12.706 21.795 9.159 1.00 7.43 H new ATOM 0 HH22 ARG A 148 -12.115 22.492 7.646 1.00 7.43 H new ATOM 2246 N ASN A 149 -9.326 16.211 7.491 1.00 2.79 N ATOM 2247 CA ASN A 149 -8.072 16.915 7.285 1.00 2.87 C ATOM 2248 C ASN A 149 -7.015 15.928 6.784 1.00 2.72 C ATOM 2249 O ASN A 149 -5.970 16.335 6.280 1.00 2.94 O ATOM 2250 CB ASN A 149 -7.564 17.530 8.591 1.00 3.04 C ATOM 2251 CG ASN A 149 -7.642 16.520 9.739 1.00 3.09 C ATOM 2252 OD1 ASN A 149 -8.629 16.424 10.448 1.00 4.06 O ATOM 2253 ND2 ASN A 149 -6.548 15.777 9.881 1.00 2.75 N ATOM 0 H ASN A 149 -9.615 16.131 8.466 1.00 2.79 H new ATOM 0 HA ASN A 149 -8.246 17.708 6.557 1.00 2.87 H new ATOM 0 HB2 ASN A 149 -6.534 17.863 8.464 1.00 3.04 H new ATOM 0 HB3 ASN A 149 -8.156 18.412 8.837 1.00 3.04 H new ATOM 0 HD21 ASN A 149 -6.501 15.075 10.619 1.00 2.75 H new ATOM 0 HD22 ASN A 149 -5.756 15.909 9.252 1.00 2.75 H new ATOM 2260 N GLY A 150 -7.324 14.649 6.942 1.00 2.57 N ATOM 2261 CA GLY A 150 -6.493 13.603 6.372 1.00 2.73 C ATOM 2262 C GLY A 150 -5.354 13.228 7.322 1.00 2.21 C ATOM 2263 O GLY A 150 -4.240 12.944 6.882 1.00 2.54 O ATOM 0 H GLY A 150 -8.138 14.314 7.457 1.00 2.57 H new ATOM 0 HA2 GLY A 150 -7.102 12.723 6.164 1.00 2.73 H new ATOM 0 HA3 GLY A 150 -6.082 13.939 5.420 1.00 2.73 H new ATOM 2267 N LYS A 151 -5.670 13.241 8.609 1.00 2.19 N ATOM 2268 CA LYS A 151 -4.702 12.859 9.622 1.00 2.19 C ATOM 2269 C LYS A 151 -5.430 12.582 10.939 1.00 2.21 C ATOM 2270 O LYS A 151 -6.240 13.392 11.387 1.00 2.77 O ATOM 2271 CB LYS A 151 -3.602 13.917 9.739 1.00 2.75 C ATOM 2272 CG LYS A 151 -2.329 13.321 10.344 1.00 2.44 C ATOM 2273 CD LYS A 151 -1.146 14.278 10.185 1.00 3.06 C ATOM 2274 CE LYS A 151 -0.508 14.137 8.802 1.00 3.58 C ATOM 2275 NZ LYS A 151 0.453 13.011 8.788 1.00 3.82 N ATOM 0 H LYS A 151 -6.584 13.510 8.973 1.00 2.19 H new ATOM 0 HA LYS A 151 -4.197 11.937 9.336 1.00 2.19 H new ATOM 0 HB2 LYS A 151 -3.382 14.329 8.754 1.00 2.75 H new ATOM 0 HB3 LYS A 151 -3.951 14.743 10.359 1.00 2.75 H new ATOM 0 HG2 LYS A 151 -2.490 13.108 11.401 1.00 2.44 H new ATOM 0 HG3 LYS A 151 -2.101 12.372 9.859 1.00 2.44 H new ATOM 0 HD2 LYS A 151 -1.482 15.305 10.331 1.00 3.06 H new ATOM 0 HD3 LYS A 151 -0.402 14.073 10.955 1.00 3.06 H new ATOM 0 HE2 LYS A 151 -1.282 13.972 8.053 1.00 3.58 H new ATOM 0 HE3 LYS A 151 0.002 15.062 8.534 1.00 3.58 H new ATOM 0 HZ1 LYS A 151 1.421 13.379 8.886 1.00 3.82 H new ATOM 0 HZ2 LYS A 151 0.245 12.368 9.578 1.00 3.82 H new ATOM 0 HZ3 LYS A 151 0.369 12.494 7.889 1.00 3.82 H new ATOM 2289 N THR A 152 -5.116 11.436 11.523 1.00 1.98 N ATOM 2290 CA THR A 152 -5.676 11.074 12.813 1.00 2.12 C ATOM 2291 C THR A 152 -5.002 11.873 13.931 1.00 2.08 C ATOM 2292 O THR A 152 -4.052 12.613 13.683 1.00 2.31 O ATOM 2293 CB THR A 152 -5.539 9.559 12.981 1.00 2.43 C ATOM 2294 OG1 THR A 152 -5.966 9.318 14.319 1.00 3.90 O ATOM 2295 CG2 THR A 152 -4.079 9.099 12.967 1.00 2.49 C ATOM 0 H THR A 152 -4.480 10.745 11.126 1.00 1.98 H new ATOM 0 HA THR A 152 -6.735 11.327 12.869 1.00 2.12 H new ATOM 0 HB THR A 152 -6.087 9.054 12.185 1.00 2.43 H new ATOM 0 HG1 THR A 152 -6.945 9.273 14.347 1.00 3.90 H new ATOM 0 HG21 THR A 152 -4.037 8.017 13.090 1.00 2.49 H new ATOM 0 HG22 THR A 152 -3.620 9.375 12.018 1.00 2.49 H new ATOM 0 HG23 THR A 152 -3.539 9.578 13.784 1.00 2.49 H new ATOM 2303 N SER A 153 -5.520 11.694 15.137 1.00 2.21 N ATOM 2304 CA SER A 153 -5.009 12.423 16.286 1.00 2.56 C ATOM 2305 C SER A 153 -4.299 11.463 17.242 1.00 2.09 C ATOM 2306 O SER A 153 -4.110 11.777 18.416 1.00 2.57 O ATOM 2307 CB SER A 153 -6.134 13.162 17.014 1.00 3.52 C ATOM 2308 OG SER A 153 -6.833 14.056 16.150 1.00 4.34 O ATOM 0 H SER A 153 -6.288 11.055 15.344 1.00 2.21 H new ATOM 0 HA SER A 153 -4.294 13.165 15.930 1.00 2.56 H new ATOM 0 HB2 SER A 153 -6.834 12.437 17.429 1.00 3.52 H new ATOM 0 HB3 SER A 153 -5.718 13.720 17.853 1.00 3.52 H new ATOM 0 HG SER A 153 -7.544 14.507 16.652 1.00 4.34 H new ATOM 2314 N LYS A 154 -3.925 10.312 16.704 1.00 1.52 N ATOM 2315 CA LYS A 154 -3.238 9.304 17.493 1.00 1.44 C ATOM 2316 C LYS A 154 -1.944 8.901 16.783 1.00 1.39 C ATOM 2317 O LYS A 154 -1.298 9.730 16.144 1.00 1.59 O ATOM 2318 CB LYS A 154 -4.170 8.127 17.789 1.00 1.56 C ATOM 2319 CG LYS A 154 -5.560 8.618 18.196 1.00 2.41 C ATOM 2320 CD LYS A 154 -6.400 7.475 18.769 1.00 2.63 C ATOM 2321 CE LYS A 154 -7.834 7.932 19.047 1.00 3.59 C ATOM 2322 NZ LYS A 154 -8.621 6.833 19.647 1.00 5.09 N ATOM 0 H LYS A 154 -4.085 10.055 15.730 1.00 1.52 H new ATOM 0 HA LYS A 154 -2.956 9.709 18.465 1.00 1.44 H new ATOM 0 HB2 LYS A 154 -4.249 7.490 16.908 1.00 1.56 H new ATOM 0 HB3 LYS A 154 -3.748 7.516 18.587 1.00 1.56 H new ATOM 0 HG2 LYS A 154 -5.466 9.412 18.937 1.00 2.41 H new ATOM 0 HG3 LYS A 154 -6.066 9.047 17.331 1.00 2.41 H new ATOM 0 HD2 LYS A 154 -6.410 6.640 18.068 1.00 2.63 H new ATOM 0 HD3 LYS A 154 -5.945 7.112 19.691 1.00 2.63 H new ATOM 0 HE2 LYS A 154 -7.825 8.790 19.720 1.00 3.59 H new ATOM 0 HE3 LYS A 154 -8.304 8.259 18.120 1.00 3.59 H new ATOM 0 HZ1 LYS A 154 -9.260 7.219 20.371 1.00 5.09 H new ATOM 0 HZ2 LYS A 154 -9.180 6.363 18.907 1.00 5.09 H new ATOM 0 HZ3 LYS A 154 -7.977 6.144 20.085 1.00 5.09 H new ATOM 2336 N LYS A 155 -1.605 7.627 16.917 1.00 1.27 N ATOM 2337 CA LYS A 155 -0.387 7.109 16.318 1.00 1.28 C ATOM 2338 C LYS A 155 -0.706 5.819 15.560 1.00 1.13 C ATOM 2339 O LYS A 155 -1.408 4.950 16.075 1.00 1.48 O ATOM 2340 CB LYS A 155 0.704 6.947 17.377 1.00 1.43 C ATOM 2341 CG LYS A 155 0.342 5.843 18.374 1.00 3.33 C ATOM 2342 CD LYS A 155 1.418 5.702 19.452 1.00 3.80 C ATOM 2343 CE LYS A 155 1.230 6.745 20.555 1.00 4.76 C ATOM 2344 NZ LYS A 155 0.237 6.275 21.547 1.00 6.38 N ATOM 0 H LYS A 155 -2.153 6.938 17.432 1.00 1.27 H new ATOM 0 HA LYS A 155 0.011 7.816 15.591 1.00 1.28 H new ATOM 0 HB2 LYS A 155 1.652 6.709 16.894 1.00 1.43 H new ATOM 0 HB3 LYS A 155 0.844 7.889 17.907 1.00 1.43 H new ATOM 0 HG2 LYS A 155 -0.617 6.069 18.840 1.00 3.33 H new ATOM 0 HG3 LYS A 155 0.225 4.896 17.847 1.00 3.33 H new ATOM 0 HD2 LYS A 155 1.378 4.701 19.882 1.00 3.80 H new ATOM 0 HD3 LYS A 155 2.405 5.816 19.003 1.00 3.80 H new ATOM 0 HE2 LYS A 155 2.183 6.938 21.048 1.00 4.76 H new ATOM 0 HE3 LYS A 155 0.900 7.688 20.120 1.00 4.76 H new ATOM 0 HZ1 LYS A 155 -0.169 7.092 22.046 1.00 6.38 H new ATOM 0 HZ2 LYS A 155 -0.521 5.755 21.060 1.00 6.38 H new ATOM 0 HZ3 LYS A 155 0.702 5.647 22.233 1.00 6.38 H new ATOM 2358 N ILE A 156 -0.175 5.735 14.349 1.00 0.93 N ATOM 2359 CA ILE A 156 -0.379 4.558 13.523 1.00 0.87 C ATOM 2360 C ILE A 156 0.973 3.907 13.226 1.00 0.90 C ATOM 2361 O ILE A 156 1.867 4.547 12.674 1.00 1.18 O ATOM 2362 CB ILE A 156 -1.177 4.917 12.267 1.00 1.03 C ATOM 2363 CG1 ILE A 156 -2.529 5.534 12.634 1.00 1.43 C ATOM 2364 CG2 ILE A 156 -1.332 3.702 11.349 1.00 1.24 C ATOM 2365 CD1 ILE A 156 -3.546 4.450 12.995 1.00 1.16 C ATOM 0 H ILE A 156 0.396 6.463 13.920 1.00 0.93 H new ATOM 0 HA ILE A 156 -0.979 3.819 14.055 1.00 0.87 H new ATOM 0 HB ILE A 156 -0.619 5.671 11.712 1.00 1.03 H new ATOM 0 HG12 ILE A 156 -2.405 6.216 13.475 1.00 1.43 H new ATOM 0 HG13 ILE A 156 -2.903 6.124 11.797 1.00 1.43 H new ATOM 0 HG21 ILE A 156 -1.903 3.985 10.464 1.00 1.24 H new ATOM 0 HG22 ILE A 156 -0.347 3.346 11.047 1.00 1.24 H new ATOM 0 HG23 ILE A 156 -1.857 2.909 11.881 1.00 1.24 H new ATOM 0 HD11 ILE A 156 -4.498 4.915 13.252 1.00 1.16 H new ATOM 0 HD12 ILE A 156 -3.686 3.784 12.144 1.00 1.16 H new ATOM 0 HD13 ILE A 156 -3.180 3.877 13.847 1.00 1.16 H new ATOM 2377 N THR A 157 1.081 2.642 13.606 1.00 0.82 N ATOM 2378 CA THR A 157 2.326 1.913 13.433 1.00 0.93 C ATOM 2379 C THR A 157 2.049 0.509 12.889 1.00 0.78 C ATOM 2380 O THR A 157 1.064 -0.122 13.265 1.00 0.71 O ATOM 2381 CB THR A 157 3.064 1.911 14.773 1.00 1.22 C ATOM 2382 OG1 THR A 157 2.104 1.405 15.697 1.00 1.44 O ATOM 2383 CG2 THR A 157 3.359 3.324 15.280 1.00 1.53 C ATOM 0 H THR A 157 0.327 2.104 14.033 1.00 0.82 H new ATOM 0 HA THR A 157 2.967 2.394 12.694 1.00 0.93 H new ATOM 0 HB THR A 157 3.998 1.358 14.672 1.00 1.22 H new ATOM 0 HG1 THR A 157 2.500 1.368 16.593 1.00 1.44 H new ATOM 0 HG21 THR A 157 3.884 3.266 16.234 1.00 1.53 H new ATOM 0 HG22 THR A 157 3.981 3.848 14.555 1.00 1.53 H new ATOM 0 HG23 THR A 157 2.423 3.866 15.413 1.00 1.53 H new ATOM 2391 N ILE A 158 2.938 0.062 12.015 1.00 0.83 N ATOM 2392 CA ILE A 158 2.867 -1.295 11.501 1.00 0.77 C ATOM 2393 C ILE A 158 3.661 -2.225 12.419 1.00 0.74 C ATOM 2394 O ILE A 158 4.886 -2.138 12.487 1.00 0.89 O ATOM 2395 CB ILE A 158 3.319 -1.339 10.040 1.00 0.96 C ATOM 2396 CG1 ILE A 158 2.457 -0.419 9.172 1.00 1.26 C ATOM 2397 CG2 ILE A 158 3.332 -2.777 9.514 1.00 1.13 C ATOM 2398 CD1 ILE A 158 2.861 -0.520 7.699 1.00 1.57 C ATOM 0 H ILE A 158 3.712 0.616 11.649 1.00 0.83 H new ATOM 0 HA ILE A 158 1.836 -1.650 11.502 1.00 0.77 H new ATOM 0 HB ILE A 158 4.342 -0.967 9.987 1.00 0.96 H new ATOM 0 HG12 ILE A 158 1.406 -0.686 9.284 1.00 1.26 H new ATOM 0 HG13 ILE A 158 2.562 0.611 9.512 1.00 1.26 H new ATOM 0 HG21 ILE A 158 3.657 -2.781 8.474 1.00 1.13 H new ATOM 0 HG22 ILE A 158 4.019 -3.377 10.111 1.00 1.13 H new ATOM 0 HG23 ILE A 158 2.329 -3.199 9.583 1.00 1.13 H new ATOM 0 HD11 ILE A 158 2.234 0.143 7.103 1.00 1.57 H new ATOM 0 HD12 ILE A 158 3.905 -0.229 7.587 1.00 1.57 H new ATOM 0 HD13 ILE A 158 2.732 -1.547 7.356 1.00 1.57 H new ATOM 2410 N ALA A 159 2.932 -3.095 13.102 1.00 0.76 N ATOM 2411 CA ALA A 159 3.540 -3.968 14.092 1.00 0.80 C ATOM 2412 C ALA A 159 4.531 -4.906 13.399 1.00 0.82 C ATOM 2413 O ALA A 159 5.710 -4.933 13.746 1.00 0.94 O ATOM 2414 CB ALA A 159 2.445 -4.729 14.843 1.00 0.83 C ATOM 0 H ALA A 159 1.925 -3.214 12.989 1.00 0.76 H new ATOM 0 HA ALA A 159 4.096 -3.386 14.827 1.00 0.80 H new ATOM 0 HB1 ALA A 159 2.901 -5.384 15.586 1.00 0.83 H new ATOM 0 HB2 ALA A 159 1.785 -4.019 15.342 1.00 0.83 H new ATOM 0 HB3 ALA A 159 1.868 -5.327 14.137 1.00 0.83 H new ATOM 2420 N ASP A 160 4.015 -5.649 12.432 1.00 0.74 N ATOM 2421 CA ASP A 160 4.825 -6.632 11.731 1.00 0.77 C ATOM 2422 C ASP A 160 4.089 -7.086 10.469 1.00 0.73 C ATOM 2423 O ASP A 160 2.882 -6.887 10.345 1.00 0.72 O ATOM 2424 CB ASP A 160 5.072 -7.865 12.603 1.00 0.81 C ATOM 2425 CG ASP A 160 3.809 -8.536 13.147 1.00 2.12 C ATOM 2426 OD1 ASP A 160 3.135 -9.213 12.342 1.00 3.67 O ATOM 2427 OD2 ASP A 160 3.546 -8.356 14.356 1.00 2.72 O ATOM 0 H ASP A 160 3.047 -5.591 12.117 1.00 0.74 H new ATOM 0 HA ASP A 160 5.780 -6.168 11.484 1.00 0.77 H new ATOM 0 HB2 ASP A 160 5.632 -8.597 12.021 1.00 0.81 H new ATOM 0 HB3 ASP A 160 5.703 -7.576 13.444 1.00 0.81 H new ATOM 2432 N CYS A 161 4.848 -7.686 9.564 1.00 0.82 N ATOM 2433 CA CYS A 161 4.271 -8.236 8.349 1.00 0.83 C ATOM 2434 C CYS A 161 5.034 -9.512 7.990 1.00 0.79 C ATOM 2435 O CYS A 161 5.959 -9.908 8.698 1.00 0.91 O ATOM 2436 CB CYS A 161 4.288 -7.220 7.205 1.00 1.14 C ATOM 2437 SG CYS A 161 3.846 -5.559 7.836 1.00 2.46 S ATOM 0 H CYS A 161 5.858 -7.803 9.648 1.00 0.82 H new ATOM 0 HA CYS A 161 3.222 -8.477 8.518 1.00 0.83 H new ATOM 0 HB2 CYS A 161 5.277 -7.193 6.747 1.00 1.14 H new ATOM 0 HB3 CYS A 161 3.585 -7.522 6.429 1.00 1.14 H new ATOM 0 HG CYS A 161 2.937 -5.032 7.071 1.00 2.46 H new ATOM 2443 N GLY A 162 4.619 -10.121 6.888 1.00 0.83 N ATOM 2444 CA GLY A 162 5.307 -11.295 6.378 1.00 1.08 C ATOM 2445 C GLY A 162 4.526 -11.931 5.226 1.00 0.90 C ATOM 2446 O GLY A 162 3.491 -11.411 4.812 1.00 1.39 O ATOM 0 H GLY A 162 3.815 -9.823 6.335 1.00 0.83 H new ATOM 0 HA2 GLY A 162 6.304 -11.017 6.036 1.00 1.08 H new ATOM 0 HA3 GLY A 162 5.436 -12.022 7.180 1.00 1.08 H new ATOM 2450 N GLN A 163 5.051 -13.047 4.743 1.00 1.00 N ATOM 2451 CA GLN A 163 4.417 -13.758 3.645 1.00 0.88 C ATOM 2452 C GLN A 163 3.943 -15.137 4.107 1.00 0.88 C ATOM 2453 O GLN A 163 4.612 -15.790 4.907 1.00 1.06 O ATOM 2454 CB GLN A 163 5.364 -13.876 2.449 1.00 1.22 C ATOM 2455 CG GLN A 163 4.757 -14.755 1.354 1.00 1.75 C ATOM 2456 CD GLN A 163 5.672 -14.814 0.128 1.00 2.17 C ATOM 2457 OE1 GLN A 163 6.739 -14.223 0.089 1.00 2.32 O ATOM 2458 NE2 GLN A 163 5.196 -15.557 -0.867 1.00 3.37 N ATOM 0 H GLN A 163 5.908 -13.477 5.091 1.00 1.00 H new ATOM 0 HA GLN A 163 3.547 -13.186 3.323 1.00 0.88 H new ATOM 0 HB2 GLN A 163 5.576 -12.884 2.049 1.00 1.22 H new ATOM 0 HB3 GLN A 163 6.315 -14.298 2.774 1.00 1.22 H new ATOM 0 HG2 GLN A 163 4.594 -15.761 1.739 1.00 1.75 H new ATOM 0 HG3 GLN A 163 3.782 -14.362 1.066 1.00 1.75 H new ATOM 0 HE21 GLN A 163 4.295 -16.025 -0.768 1.00 3.37 H new ATOM 0 HE22 GLN A 163 5.732 -15.659 -1.729 1.00 3.37 H new ATOM 2467 N LEU A 164 2.793 -15.538 3.586 1.00 0.84 N ATOM 2468 CA LEU A 164 2.243 -16.845 3.902 1.00 0.98 C ATOM 2469 C LEU A 164 2.857 -17.891 2.969 1.00 1.28 C ATOM 2470 O LEU A 164 2.179 -18.418 2.089 1.00 1.59 O ATOM 2471 CB LEU A 164 0.714 -16.807 3.862 1.00 0.99 C ATOM 2472 CG LEU A 164 0.042 -15.827 4.824 1.00 1.01 C ATOM 2473 CD1 LEU A 164 -1.459 -15.728 4.546 1.00 1.28 C ATOM 2474 CD2 LEU A 164 0.333 -16.200 6.279 1.00 1.04 C ATOM 0 H LEU A 164 2.227 -14.980 2.947 1.00 0.84 H new ATOM 0 HA LEU A 164 2.505 -17.132 4.920 1.00 0.98 H new ATOM 0 HB2 LEU A 164 0.403 -16.560 2.847 1.00 0.99 H new ATOM 0 HB3 LEU A 164 0.340 -17.808 4.075 1.00 0.99 H new ATOM 0 HG LEU A 164 0.466 -14.837 4.655 1.00 1.01 H new ATOM 0 HD11 LEU A 164 -1.913 -15.025 5.244 1.00 1.28 H new ATOM 0 HD12 LEU A 164 -1.618 -15.380 3.525 1.00 1.28 H new ATOM 0 HD13 LEU A 164 -1.918 -16.709 4.670 1.00 1.28 H new ATOM 0 HD21 LEU A 164 -0.157 -15.487 6.942 1.00 1.04 H new ATOM 0 HD22 LEU A 164 -0.046 -17.202 6.480 1.00 1.04 H new ATOM 0 HD23 LEU A 164 1.409 -16.177 6.452 1.00 1.04 H new ATOM 2486 N GLU A 165 4.135 -18.160 3.193 1.00 1.77 N ATOM 2487 CA GLU A 165 4.843 -19.148 2.397 1.00 2.24 C ATOM 2488 C GLU A 165 5.378 -20.268 3.294 1.00 3.56 C ATOM 2489 O GLU A 165 5.791 -21.317 2.803 1.00 4.21 O ATOM 2490 CB GLU A 165 5.975 -18.500 1.597 1.00 2.96 C ATOM 2491 CG GLU A 165 7.013 -17.870 2.526 1.00 4.50 C ATOM 2492 CD GLU A 165 8.191 -17.305 1.730 1.00 5.57 C ATOM 2493 OE1 GLU A 165 8.856 -18.115 1.048 1.00 5.93 O ATOM 2494 OE2 GLU A 165 8.399 -16.076 1.820 1.00 6.54 O ATOM 0 H GLU A 165 4.699 -17.711 3.915 1.00 1.77 H new ATOM 0 HA GLU A 165 4.141 -19.582 1.685 1.00 2.24 H new ATOM 0 HB2 GLU A 165 6.454 -19.249 0.966 1.00 2.96 H new ATOM 0 HB3 GLU A 165 5.566 -17.738 0.933 1.00 2.96 H new ATOM 0 HG2 GLU A 165 6.549 -17.075 3.109 1.00 4.50 H new ATOM 0 HG3 GLU A 165 7.373 -18.616 3.234 1.00 4.50 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.051 17.861 -4.154 1.00 1.16 N HETATM 2503 CA DAL B 201 -7.798 16.716 -4.647 1.00 1.07 C HETATM 2504 CB DAL B 201 -9.294 17.036 -4.625 1.00 1.04 C HETATM 2505 C DAL B 201 -7.453 15.486 -3.806 1.00 0.99 C HETATM 2506 O DAL B 201 -6.958 15.614 -2.687 1.00 1.01 O HETATM 0 HB3 DAL B 201 -9.603 17.259 -3.604 1.00 1.04 H new HETATM 0 HB2 DAL B 201 -9.491 17.899 -5.261 1.00 1.04 H new HETATM 0 HB1 DAL B 201 -9.855 16.178 -4.995 1.00 1.04 H new HETATM 0 HA DAL B 201 -7.526 16.496 -5.679 1.00 1.07 H new HETATM 0 H DAL B 201 -7.545 18.704 -3.862 1.00 1.16 H new HETATM 2512 N MLE B 202 -7.729 14.322 -4.376 1.00 0.98 N HETATM 2513 CN MLE B 202 -8.439 14.150 -6.032 1.00 1.05 C HETATM 2514 CA MLE B 202 -7.468 13.070 -3.687 1.00 0.97 C HETATM 2515 CB MLE B 202 -8.783 12.365 -3.345 1.00 0.96 C HETATM 2516 CG MLE B 202 -9.520 12.882 -2.108 1.00 1.47 C HETATM 2517 CD1 MLE B 202 -8.608 12.868 -0.879 1.00 3.21 C HETATM 2518 CD2 MLE B 202 -10.115 14.269 -2.364 1.00 0.95 C HETATM 2519 C MLE B 202 -6.514 12.219 -4.525 1.00 1.03 C HETATM 2520 O MLE B 202 -6.917 11.206 -5.095 1.00 1.04 O HETATM 0 HD23 MLE B 202 -9.316 14.968 -2.612 1.00 0.95 H new HETATM 0 HD22 MLE B 202 -10.820 14.215 -3.194 1.00 0.95 H new HETATM 0 HD21 MLE B 202 -10.633 14.613 -1.469 1.00 0.95 H new HETATM 0 HD13 MLE B 202 -8.274 11.849 -0.685 1.00 3.21 H new HETATM 0 HD12 MLE B 202 -7.742 13.505 -1.061 1.00 3.21 H new HETATM 0 HD11 MLE B 202 -9.157 13.240 -0.014 1.00 3.21 H new HETATM 0 HN3 MLE B 202 -7.755 13.583 -6.664 1.00 1.05 H new HETATM 0 HN2 MLE B 202 -9.392 13.625 -5.967 1.00 1.05 H new HETATM 0 HN1 MLE B 202 -8.598 15.138 -6.464 1.00 1.05 H new HETATM 0 HG MLE B 202 -10.351 12.208 -1.900 1.00 1.47 H new HETATM 0 HB3 MLE B 202 -9.451 12.449 -4.203 1.00 0.96 H new HETATM 0 HB2 MLE B 202 -8.577 11.304 -3.204 1.00 0.96 H new HETATM 0 HA MLE B 202 -6.973 13.255 -2.734 1.00 0.97 H new HETATM 2531 N MLE B 203 -5.266 12.661 -4.575 1.00 1.10 N HETATM 2532 CN MLE B 203 -4.700 14.187 -3.781 1.00 1.15 C HETATM 2533 CA MLE B 203 -4.239 11.926 -5.293 1.00 1.18 C HETATM 2534 CB MLE B 203 -3.497 12.849 -6.261 1.00 1.24 C HETATM 2535 CG MLE B 203 -4.372 13.767 -7.117 1.00 1.21 C HETATM 2536 CD1 MLE B 203 -3.538 14.484 -8.180 1.00 1.27 C HETATM 2537 CD2 MLE B 203 -5.542 12.994 -7.730 1.00 1.19 C HETATM 2538 C MLE B 203 -3.323 11.224 -4.287 1.00 1.24 C HETATM 2539 O MLE B 203 -3.173 11.681 -3.156 1.00 1.25 O HETATM 0 HD23 MLE B 203 -5.158 12.191 -8.359 1.00 1.19 H new HETATM 0 HD22 MLE B 203 -6.155 12.570 -6.934 1.00 1.19 H new HETATM 0 HD21 MLE B 203 -6.148 13.670 -8.333 1.00 1.19 H new HETATM 0 HD13 MLE B 203 -2.770 15.086 -7.695 1.00 1.27 H new HETATM 0 HD12 MLE B 203 -3.065 13.747 -8.829 1.00 1.27 H new HETATM 0 HD11 MLE B 203 -4.184 15.130 -8.775 1.00 1.27 H new HETATM 0 HN3 MLE B 203 -3.920 13.953 -3.057 1.00 1.15 H new HETATM 0 HN2 MLE B 203 -4.302 14.864 -4.537 1.00 1.15 H new HETATM 0 HN1 MLE B 203 -5.537 14.664 -3.271 1.00 1.15 H new HETATM 0 HG MLE B 203 -4.797 14.535 -6.470 1.00 1.21 H new HETATM 0 HB3 MLE B 203 -2.809 13.469 -5.686 1.00 1.24 H new HETATM 0 HB2 MLE B 203 -2.891 12.234 -6.926 1.00 1.24 H new HETATM 0 HA MLE B 203 -4.688 11.149 -5.912 1.00 1.18 H new HETATM 2550 N MVA B 204 -2.735 10.127 -4.739 1.00 1.29 N HETATM 2551 CN MVA B 204 -2.927 9.493 -6.423 1.00 1.33 C HETATM 2552 CA MVA B 204 -1.870 9.334 -3.880 1.00 1.35 C HETATM 2553 CB MVA B 204 -2.603 8.074 -3.419 1.00 1.49 C HETATM 2554 CG1 MVA B 204 -2.025 7.556 -2.100 1.00 1.79 C HETATM 2555 CG2 MVA B 204 -4.107 8.328 -3.295 1.00 1.23 C HETATM 2556 C MVA B 204 -0.565 9.030 -4.619 1.00 1.34 C HETATM 2557 O MVA B 204 -0.530 8.167 -5.495 1.00 1.13 O HETATM 0 HG23 MVA B 204 -4.283 9.120 -2.567 1.00 1.23 H new HETATM 0 HG22 MVA B 204 -4.506 8.629 -4.263 1.00 1.23 H new HETATM 0 HG21 MVA B 204 -4.604 7.416 -2.966 1.00 1.23 H new HETATM 0 HG13 MVA B 204 -0.970 7.317 -2.234 1.00 1.79 H new HETATM 0 HG12 MVA B 204 -2.129 8.322 -1.331 1.00 1.79 H new HETATM 0 HG11 MVA B 204 -2.564 6.659 -1.794 1.00 1.79 H new HETATM 0 HN3 MVA B 204 -1.953 9.455 -6.911 1.00 1.33 H new HETATM 0 HN2 MVA B 204 -3.355 8.491 -6.388 1.00 1.33 H new HETATM 0 HN1 MVA B 204 -3.589 10.151 -6.986 1.00 1.33 H new HETATM 0 HB MVA B 204 -2.455 7.304 -4.176 1.00 1.49 H new HETATM 0 HA MVA B 204 -1.612 9.891 -2.979 1.00 1.35 H new HETATM 2566 N BMT B 205 0.400 9.981 -4.574 1.00 1.41 N HETATM 2567 CN BMT B 205 0.362 11.312 -3.348 1.00 1.45 C HETATM 2568 CA BMT B 205 1.686 9.777 -5.219 1.00 1.40 C HETATM 2569 C BMT B 205 2.821 9.927 -4.204 1.00 1.38 C HETATM 2570 O BMT B 205 2.583 9.935 -2.997 1.00 1.49 O HETATM 2571 CB BMT B 205 1.787 10.753 -6.392 1.00 1.36 C HETATM 2572 OG1 BMT B 205 1.729 12.039 -5.780 1.00 1.23 O HETATM 2573 CG2 BMT B 205 0.551 10.714 -7.294 1.00 1.48 C HETATM 2574 CD1 BMT B 205 0.528 9.421 -8.111 1.00 1.86 C HETATM 2575 CD2 BMT B 205 0.326 11.924 -8.097 1.00 1.48 C HETATM 2576 CE BMT B 205 1.466 12.466 -8.814 1.00 1.37 C HETATM 2577 CZ BMT B 205 2.257 13.425 -8.536 1.00 1.45 C HETATM 2578 CH BMT B 205 3.396 14.019 -9.326 1.00 1.34 C HETATM 0 HD23 BMT B 205 -0.457 11.707 -8.823 1.00 1.48 H new HETATM 0 HD22 BMT B 205 -0.058 12.701 -7.436 1.00 1.48 H new HETATM 0 HD13 BMT B 205 1.422 9.367 -8.732 1.00 1.86 H new HETATM 0 HD12 BMT B 205 0.502 8.565 -7.437 1.00 1.86 H new HETATM 0 HD11 BMT B 205 -0.357 9.408 -8.747 1.00 1.86 H new HETATM 0 HZ BMT B 205 2.082 13.893 -7.568 1.00 1.45 H new HETATM 0 HN3 BMT B 205 1.078 11.097 -2.555 1.00 1.45 H new HETATM 0 HN2 BMT B 205 0.624 12.255 -3.827 1.00 1.45 H new HETATM 0 HN1 BMT B 205 -0.639 11.387 -2.923 1.00 1.45 H new HETATM 0 HH3 BMT B 205 4.147 13.252 -9.515 1.00 1.34 H new HETATM 0 HH2 BMT B 205 3.020 14.401 -10.275 1.00 1.34 H new HETATM 0 HH1 BMT B 205 3.846 14.834 -8.759 1.00 1.34 H new HETATM 0 HG2 BMT B 205 -0.313 10.709 -6.630 1.00 1.48 H new HETATM 0 HG1 BMT B 205 0.793 12.297 -5.650 1.00 1.23 H new HETATM 0 HE BMT B 205 1.683 11.964 -9.757 1.00 1.37 H new HETATM 0 HB BMT B 205 2.674 10.521 -6.981 1.00 1.36 H new HETATM 0 HA BMT B 205 1.775 8.764 -5.612 1.00 1.40 H new HETATM 2593 N ABA B 206 4.031 10.042 -4.731 1.00 1.35 N HETATM 2594 CA ABA B 206 5.217 10.041 -3.891 1.00 1.41 C HETATM 2595 C ABA B 206 6.190 11.134 -4.339 1.00 1.34 C HETATM 2596 O ABA B 206 7.215 10.843 -4.952 1.00 1.41 O HETATM 2597 CB ABA B 206 5.821 8.636 -3.929 1.00 1.59 C HETATM 2598 CG ABA B 206 4.766 7.540 -3.770 1.00 1.68 C HETATM 0 HG3 ABA B 206 4.039 7.614 -4.579 1.00 1.68 H new HETATM 0 HG2 ABA B 206 4.258 7.660 -2.813 1.00 1.68 H new HETATM 0 HG1 ABA B 206 5.248 6.563 -3.804 1.00 1.68 H new HETATM 0 HB3 ABA B 206 6.562 8.541 -3.135 1.00 1.59 H new HETATM 0 HB2 ABA B 206 6.347 8.495 -4.874 1.00 1.59 H new HETATM 0 HA ABA B 206 4.969 10.276 -2.856 1.00 1.41 H new HETATM 0 H ABA B 206 3.946 10.716 -5.492 1.00 1.35 H new HETATM 2606 N SAR B 207 5.833 12.367 -4.015 1.00 1.27 N HETATM 2607 CA SAR B 207 6.707 13.530 -4.343 1.00 1.31 C HETATM 2608 C SAR B 207 6.154 14.962 -4.233 1.00 1.32 C HETATM 2609 O SAR B 207 6.685 15.910 -3.673 1.00 1.45 O HETATM 2610 CN SAR B 207 4.218 12.556 -3.147 1.00 1.21 C HETATM 0 HN3 SAR B 207 4.381 13.014 -2.171 1.00 1.21 H new HETATM 0 HN2 SAR B 207 3.558 13.190 -3.740 1.00 1.21 H new HETATM 0 HN1 SAR B 207 3.759 11.576 -3.016 1.00 1.21 H new HETATM 0 HA3 SAR B 207 7.583 13.470 -3.697 1.00 1.31 H new HETATM 0 HA2 SAR B 207 7.056 13.395 -5.367 1.00 1.31 H new HETATM 2613 N MLE B 208 4.980 15.155 -4.814 1.00 1.22 N HETATM 2614 CN MLE B 208 3.917 14.141 -5.871 1.00 1.10 C HETATM 2615 CA MLE B 208 4.465 16.481 -4.517 1.00 1.27 C HETATM 2616 CB MLE B 208 5.120 17.526 -5.422 1.00 1.33 C HETATM 2617 CG MLE B 208 4.332 18.821 -5.632 1.00 1.70 C HETATM 2618 CD1 MLE B 208 4.102 19.544 -4.303 1.00 3.39 C HETATM 2619 CD2 MLE B 208 5.018 19.720 -6.661 1.00 2.40 C HETATM 2620 C MLE B 208 2.937 16.462 -4.606 1.00 1.18 C HETATM 2621 O MLE B 208 2.373 16.549 -5.696 1.00 1.32 O HETATM 0 HD23 MLE B 208 6.019 19.973 -6.313 1.00 2.40 H new HETATM 0 HD22 MLE B 208 5.087 19.195 -7.614 1.00 2.40 H new HETATM 0 HD21 MLE B 208 4.437 20.633 -6.791 1.00 2.40 H new HETATM 0 HD13 MLE B 208 3.539 18.898 -3.630 1.00 3.39 H new HETATM 0 HD12 MLE B 208 5.063 19.789 -3.851 1.00 3.39 H new HETATM 0 HD11 MLE B 208 3.540 20.461 -4.480 1.00 3.39 H new HETATM 0 HN3 MLE B 208 2.951 13.999 -5.386 1.00 1.10 H new HETATM 0 HN2 MLE B 208 3.773 14.641 -6.829 1.00 1.10 H new HETATM 0 HN1 MLE B 208 4.386 13.171 -6.036 1.00 1.10 H new HETATM 0 HG MLE B 208 3.352 18.563 -6.033 1.00 1.70 H new HETATM 0 HB3 MLE B 208 6.094 17.781 -5.004 1.00 1.33 H new HETATM 0 HB2 MLE B 208 5.300 17.072 -6.396 1.00 1.33 H new HETATM 0 HA MLE B 208 4.722 16.769 -3.498 1.00 1.27 H new ATOM 2632 N VAL B 209 2.310 16.347 -3.444 1.00 1.18 N ATOM 2633 CA VAL B 209 0.871 16.150 -3.387 1.00 1.12 C ATOM 2634 C VAL B 209 0.169 17.494 -3.589 1.00 1.16 C ATOM 2635 O VAL B 209 0.542 18.493 -2.973 1.00 1.30 O ATOM 2636 CB VAL B 209 0.489 15.467 -2.072 1.00 1.28 C ATOM 2637 CG1 VAL B 209 -1.005 15.137 -2.040 1.00 1.26 C ATOM 2638 CG2 VAL B 209 1.333 14.212 -1.841 1.00 1.36 C ATOM 0 H VAL B 209 2.772 16.386 -2.535 1.00 1.18 H new ATOM 0 HA VAL B 209 0.543 15.488 -4.189 1.00 1.12 H new ATOM 0 HB VAL B 209 0.696 16.164 -1.260 1.00 1.28 H new ATOM 0 HG11 VAL B 209 -1.250 14.652 -1.095 1.00 1.26 H new ATOM 0 HG12 VAL B 209 -1.583 16.056 -2.137 1.00 1.26 H new ATOM 0 HG13 VAL B 209 -1.247 14.467 -2.865 1.00 1.26 H new ATOM 0 HG21 VAL B 209 1.042 13.746 -0.900 1.00 1.36 H new ATOM 0 HG22 VAL B 209 1.172 13.510 -2.659 1.00 1.36 H new ATOM 0 HG23 VAL B 209 2.387 14.485 -1.799 1.00 1.36 H new HETATM 2648 N MLE B 210 -0.835 17.477 -4.453 1.00 1.09 N HETATM 2649 CN MLE B 210 -1.368 16.001 -5.357 1.00 0.96 C HETATM 2650 CA MLE B 210 -1.597 18.681 -4.739 1.00 1.19 C HETATM 2651 CB MLE B 210 -1.541 19.007 -6.233 1.00 1.22 C HETATM 2652 CG MLE B 210 -0.185 18.812 -6.912 1.00 1.23 C HETATM 2653 CD1 MLE B 210 -0.327 18.826 -8.436 1.00 1.31 C HETATM 2654 CD2 MLE B 210 0.828 19.851 -6.423 1.00 1.37 C HETATM 2655 C MLE B 210 -3.019 18.520 -4.197 1.00 1.19 C HETATM 2656 O MLE B 210 -3.318 17.545 -3.510 1.00 1.14 O HETATM 0 HD23 MLE B 210 0.463 20.852 -6.653 1.00 1.37 H new HETATM 0 HD22 MLE B 210 0.960 19.752 -5.346 1.00 1.37 H new HETATM 0 HD21 MLE B 210 1.784 19.690 -6.921 1.00 1.37 H new HETATM 0 HD13 MLE B 210 -0.992 18.020 -8.747 1.00 1.31 H new HETATM 0 HD12 MLE B 210 -0.742 19.782 -8.754 1.00 1.31 H new HETATM 0 HD11 MLE B 210 0.652 18.685 -8.894 1.00 1.31 H new HETATM 0 HN3 MLE B 210 -2.406 15.779 -5.111 1.00 0.96 H new HETATM 0 HN2 MLE B 210 -1.279 16.179 -6.429 1.00 0.96 H new HETATM 0 HN1 MLE B 210 -0.740 15.156 -5.076 1.00 0.96 H new HETATM 0 HG MLE B 210 0.198 17.831 -6.632 1.00 1.23 H new HETATM 0 HB3 MLE B 210 -2.275 18.387 -6.748 1.00 1.22 H new HETATM 0 HB2 MLE B 210 -1.848 20.044 -6.370 1.00 1.22 H new HETATM 0 HA MLE B 210 -1.158 19.540 -4.232 1.00 1.19 H new ATOM 2667 N ALA B 211 -3.856 19.492 -4.526 1.00 1.29 N ATOM 2668 CA ALA B 211 -5.246 19.458 -4.104 1.00 1.31 C ATOM 2669 C ALA B 211 -5.944 18.266 -4.761 1.00 1.19 C ATOM 2670 O ALA B 211 -5.480 17.752 -5.777 1.00 1.20 O ATOM 2671 CB ALA B 211 -5.918 20.789 -4.448 1.00 1.48 C ATOM 0 H ALA B 211 -3.599 20.309 -5.080 1.00 1.29 H new ATOM 0 HA ALA B 211 -5.316 19.328 -3.024 1.00 1.31 H new ATOM 0 HB1 ALA B 211 -6.961 20.763 -4.131 1.00 1.48 H new ATOM 0 HB2 ALA B 211 -5.403 21.600 -3.934 1.00 1.48 H new ATOM 0 HB3 ALA B 211 -5.870 20.953 -5.524 1.00 1.48 H new TER 2677 ALA B 211