USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1086 hydrogens (0 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 Set 1.1: A 33 GLN : amide:sc= -0.527 K(o=-0.53,f=-1.1) USER MOD Set 1.2: A 163 GLN : amide:sc=0.000428 K(o=-0.53,f=-1) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 133 SER OG : rot 80:sc= 1.18 USER MOD Set 3.1: A 96 HIS :FLIP no HD1:sc= -0.125 F(o=-0.82,f=-0.12) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 1 HIS N :NH3+ -110:sc= -0.0514 (180deg=-0.00159) USER MOD Set 4.2: A 90 HIS :FLIP no HE2:sc= -0.0937 F(o=-2,f=-0.15) USER MOD Set 5.1: A 81 THR OG1 : rot 180:sc= -0.295 USER MOD Set 5.2: A 135 HIS : no HE2:sc= 0.965 K(o=0.67,f=-3.4!) USER MOD Set 6.1: A 75 MET CE :methyl -176:sc= 0 (180deg=-0.0145) USER MOD Set 6.2: A 76 THR OG1 : rot 180:sc= -0.126 USER MOD Set 6.3: A 80 HIS : no HD1:sc= 0.959 K(o=0.83,f=-3.9!) USER MOD Set 7.1: A 1 HIS : no HD1:sc= 0.0764 K(o=0.15,f=-0.83) USER MOD Set 7.2: A 34 SER OG : rot -52:sc= 0.0728 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 1.82 (180deg=1.73) USER MOD Single : A 64 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 68 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= 1.04 K(o=1,f=-4.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 60:sc= 0.497 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0423 K(o=-0.042,f=-3.1!) USER MOD Single : A 92 THR OG1 : rot 67:sc= 0.996 USER MOD Single : A 93 SER OG : rot 180:sc=-0.00525 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 140:sc= 0.162 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= 0.781 (180deg=0.425) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.065) USER MOD Single : A 126 SER OG : rot -67:sc= 1.26 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 131 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.2!) USER MOD Single : A 134 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.14) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HE2:sc= -0.571 K(o=-0.57,f=-5.3!) USER MOD Single : A 157 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 159 ASN : amide:sc= 0.601 K(o=0.6,f=-1.9) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.974 1.965 -0.684 1.00 25.00 N ATOM 2 CA HIS A 1 0.378 1.957 -1.351 1.00 25.00 C ATOM 3 C HIS A 1 0.182 2.145 -2.859 1.00 25.00 C ATOM 4 O HIS A 1 -0.711 1.512 -3.411 1.00 25.00 O ATOM 5 CB HIS A 1 1.143 0.667 -1.083 1.00 0.00 C ATOM 6 CG HIS A 1 1.305 0.312 0.349 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.329 -0.369 1.120 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.317 0.703 1.202 1.00 0.00 C ATOM 9 CE1 HIS A 1 0.859 -0.391 2.386 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.100 0.211 2.490 1.00 0.00 N ATOM 0 H1 HIS A 1 -1.081 2.836 -0.126 1.00 25.00 H new ATOM 0 H2 HIS A 1 -1.719 1.925 -1.409 1.00 25.00 H new ATOM 0 H3 HIS A 1 -1.056 1.140 -0.057 1.00 25.00 H new ATOM 0 HA HIS A 1 0.971 2.772 -0.936 1.00 25.00 H new ATOM 0 HB2 HIS A 1 0.630 -0.152 -1.588 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.132 0.750 -1.534 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.163 1.308 0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 1 0.351 -0.839 3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 1 2.707 0.279 3.307 1.00 0.00 H new ATOM 17 N GLY A 2 1.040 2.921 -3.536 1.00 25.00 N ATOM 18 CA GLY A 2 0.863 3.043 -4.974 1.00 25.00 C ATOM 19 C GLY A 2 1.923 3.824 -5.710 1.00 25.00 C ATOM 20 O GLY A 2 3.019 3.934 -5.189 1.00 25.00 O ATOM 0 H GLY A 2 1.818 3.443 -3.133 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.818 2.041 -5.400 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.102 3.513 -5.162 1.00 25.00 H new ATOM 24 N PHE A 3 1.580 4.413 -6.864 1.00 25.00 N ATOM 25 CA PHE A 3 2.485 5.203 -7.654 1.00 25.00 C ATOM 26 C PHE A 3 1.623 6.218 -8.387 1.00 25.00 C ATOM 27 O PHE A 3 0.426 6.146 -8.523 1.00 25.00 O ATOM 28 CB PHE A 3 3.375 4.351 -8.586 1.00 25.00 C ATOM 29 CG PHE A 3 2.642 3.524 -9.576 1.00 25.00 C ATOM 30 CD1 PHE A 3 2.399 4.000 -10.903 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.270 2.216 -9.296 1.00 50.00 C ATOM 32 CE1 PHE A 3 1.640 3.201 -11.850 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.566 1.377 -10.190 1.00 25.00 C ATOM 34 CZ PHE A 3 1.270 1.914 -11.516 1.00 25.00 C ATOM 0 H PHE A 3 0.645 4.342 -7.266 1.00 25.00 H new ATOM 0 HA PHE A 3 3.214 5.712 -7.024 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.053 5.015 -9.122 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.991 3.694 -7.973 1.00 25.00 H new ATOM 0 HD1 PHE A 3 2.784 4.963 -11.204 1.00 50.00 H new ATOM 0 HD2 PHE A 3 2.536 1.812 -8.330 1.00 50.00 H new ATOM 0 HE1 PHE A 3 1.367 3.612 -12.811 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.260 0.381 -9.905 1.00 25.00 H new ATOM 0 HZ PHE A 3 0.757 1.299 -12.241 1.00 25.00 H new ATOM 44 N ILE A 4 2.291 7.191 -9.025 1.00 25.00 N ATOM 45 CA ILE A 4 1.637 8.188 -9.901 1.00 25.00 C ATOM 46 C ILE A 4 1.432 7.709 -11.297 1.00 25.00 C ATOM 47 O ILE A 4 2.350 7.160 -11.929 1.00 25.00 O ATOM 48 CB ILE A 4 2.544 9.432 -9.901 1.00 25.00 C ATOM 49 CG1 ILE A 4 2.674 10.018 -8.479 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.021 10.496 -10.977 1.00 25.00 C ATOM 51 CD1 ILE A 4 3.530 11.328 -8.401 1.00 25.00 C ATOM 0 H ILE A 4 3.301 7.313 -8.951 1.00 25.00 H new ATOM 0 HA ILE A 4 0.639 8.397 -9.516 1.00 25.00 H new ATOM 0 HB ILE A 4 3.551 9.146 -10.203 1.00 25.00 H new ATOM 0 HG12 ILE A 4 1.677 10.225 -8.091 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.120 9.266 -7.828 1.00 25.00 H new ATOM 0 HG21 ILE A 4 2.670 11.372 -10.968 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.033 10.046 -11.970 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.003 10.796 -10.727 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.572 11.674 -7.368 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.540 11.124 -8.757 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.074 12.098 -9.024 1.00 25.00 H new ATOM 63 N GLU A 5 0.231 7.791 -11.755 1.00 25.00 N ATOM 64 CA GLU A 5 -0.187 7.316 -13.068 1.00 25.00 C ATOM 65 C GLU A 5 -0.157 8.337 -14.191 1.00 25.00 C ATOM 66 O GLU A 5 0.240 8.016 -15.327 1.00 25.00 O ATOM 67 CB GLU A 5 -1.675 6.887 -12.983 1.00 25.00 C ATOM 68 CG GLU A 5 -1.972 5.969 -14.184 1.00 25.00 C ATOM 69 CD GLU A 5 -3.423 5.640 -14.228 1.00 25.00 C ATOM 70 OE1 GLU A 5 -3.943 5.037 -13.275 1.00 25.00 O ATOM 71 OE2 GLU A 5 -4.149 6.036 -15.198 1.00 25.00 O1- ATOM 0 H GLU A 5 -0.532 8.204 -11.219 1.00 25.00 H new ATOM 0 HA GLU A 5 0.527 6.527 -13.304 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -1.869 6.364 -12.046 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -2.326 7.761 -13.001 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -1.674 6.461 -15.110 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -1.386 5.054 -14.106 1.00 25.00 H new ATOM 78 N LYS A 6 -0.337 9.603 -13.803 1.00 25.00 N ATOM 79 CA LYS A 6 -0.096 10.782 -14.685 1.00 25.00 C ATOM 80 C LYS A 6 0.429 11.896 -13.759 1.00 25.00 C ATOM 81 O LYS A 6 -0.234 12.293 -12.819 1.00 25.00 O ATOM 82 CB LYS A 6 -1.363 11.218 -15.401 1.00 25.00 C ATOM 83 CG LYS A 6 -1.002 12.270 -16.552 1.00 25.00 C ATOM 84 CD LYS A 6 -2.270 12.747 -17.233 1.00 25.00 C ATOM 85 CE LYS A 6 -1.994 13.737 -18.374 1.00 25.00 C ATOM 86 NZ LYS A 6 -3.263 14.125 -19.168 1.00 25.00 N1+ ATOM 0 H LYS A 6 -0.655 9.855 -12.867 1.00 25.00 H new ATOM 0 HA LYS A 6 0.619 10.542 -15.472 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.864 10.351 -15.832 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -2.057 11.667 -14.690 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -0.467 13.119 -16.126 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -0.338 11.809 -17.283 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -2.811 11.887 -17.627 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -2.918 13.221 -16.495 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -1.542 14.639 -17.962 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -1.266 13.299 -19.057 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -3.009 14.794 -19.922 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -3.684 13.272 -19.589 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -3.951 14.570 -18.527 1.00 25.00 H new ATOM 100 N PRO A 7 1.639 12.439 -14.036 1.00 25.00 N ATOM 101 CA PRO A 7 2.616 12.114 -15.090 1.00 25.00 C ATOM 102 C PRO A 7 3.130 10.713 -15.002 1.00 25.00 C ATOM 103 O PRO A 7 3.447 10.225 -13.956 1.00 25.00 O ATOM 104 CB PRO A 7 3.736 13.174 -14.842 1.00 25.00 C ATOM 105 CG PRO A 7 3.607 13.541 -13.458 1.00 25.00 C ATOM 106 CD PRO A 7 2.159 13.533 -13.149 1.00 25.00 C ATOM 0 HA PRO A 7 2.189 12.155 -16.092 1.00 25.00 H new ATOM 0 HB2 PRO A 7 4.723 12.760 -15.049 1.00 25.00 H new ATOM 0 HB3 PRO A 7 3.610 14.040 -15.492 1.00 25.00 H new ATOM 0 HG2 PRO A 7 4.143 12.838 -12.820 1.00 25.00 H new ATOM 0 HG3 PRO A 7 4.036 14.527 -13.277 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.971 13.324 -12.096 1.00 25.00 H new ATOM 0 HD3 PRO A 7 1.692 14.492 -13.372 1.00 25.00 H new ATOM 114 N GLY A 8 3.131 10.078 -16.146 1.00 25.00 N ATOM 115 CA GLY A 8 3.600 8.737 -16.228 1.00 25.00 C ATOM 116 C GLY A 8 5.081 8.536 -16.015 1.00 25.00 C ATOM 117 O GLY A 8 5.527 8.290 -14.886 1.00 25.00 O ATOM 0 H GLY A 8 2.810 10.476 -17.029 1.00 25.00 H new ATOM 0 HA2 GLY A 8 3.063 8.140 -15.490 1.00 25.00 H new ATOM 0 HA3 GLY A 8 3.338 8.342 -17.209 1.00 25.00 H new ATOM 121 N SER A 9 5.843 8.611 -17.068 1.00 25.00 N ATOM 122 CA SER A 9 7.316 8.395 -16.962 1.00 25.00 C ATOM 123 C SER A 9 8.005 9.261 -15.963 1.00 25.00 C ATOM 124 O SER A 9 7.658 10.457 -15.760 1.00 25.00 O ATOM 125 CB SER A 9 8.001 8.568 -18.306 1.00 25.00 C ATOM 126 OG SER A 9 9.364 8.286 -18.189 1.00 25.00 O ATOM 0 H SER A 9 5.507 8.815 -18.009 1.00 25.00 H new ATOM 0 HA SER A 9 7.406 7.367 -16.612 1.00 25.00 H new ATOM 0 HB2 SER A 9 7.546 7.906 -19.043 1.00 25.00 H new ATOM 0 HB3 SER A 9 7.862 9.588 -18.665 1.00 25.00 H new ATOM 0 HG SER A 9 9.797 8.398 -19.061 1.00 25.00 H new ATOM 132 N ARG A 10 8.853 8.584 -15.206 1.00 25.00 N ATOM 133 CA ARG A 10 9.730 9.169 -14.143 1.00 25.00 C ATOM 134 C ARG A 10 11.253 8.982 -14.392 1.00 25.00 C ATOM 135 O ARG A 10 12.065 9.821 -13.968 1.00 25.00 O ATOM 136 CB ARG A 10 9.397 8.558 -12.790 1.00 25.00 C ATOM 137 CG ARG A 10 9.842 9.377 -11.597 1.00 25.00 C ATOM 138 CD ARG A 10 9.732 8.566 -10.320 1.00 25.00 C ATOM 139 NE ARG A 10 10.158 9.453 -9.190 1.00 25.00 N ATOM 140 CZ ARG A 10 11.397 9.685 -8.775 1.00 25.00 C ATOM 141 NH1 ARG A 10 12.479 9.187 -9.301 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 11.549 10.489 -7.804 1.00 25.00 N ATOM 0 H ARG A 10 8.972 7.575 -15.299 1.00 25.00 H new ATOM 0 HA ARG A 10 9.525 10.239 -14.165 1.00 25.00 H new ATOM 0 HB2 ARG A 10 8.319 8.410 -12.729 1.00 25.00 H new ATOM 0 HB3 ARG A 10 9.858 7.572 -12.729 1.00 25.00 H new ATOM 0 HG2 ARG A 10 10.872 9.705 -11.738 1.00 25.00 H new ATOM 0 HG3 ARG A 10 9.230 10.275 -11.517 1.00 25.00 H new ATOM 0 HD2 ARG A 10 8.709 8.220 -10.172 1.00 25.00 H new ATOM 0 HD3 ARG A 10 10.364 7.680 -10.372 1.00 25.00 H new ATOM 0 HE ARG A 10 9.413 9.932 -8.684 1.00 25.00 H new ATOM 0 HH11 ARG A 10 12.414 8.560 -10.103 1.00 25.00 H new ATOM 0 HH12 ARG A 10 13.391 9.424 -8.911 1.00 25.00 H new ATOM 0 HH21 ARG A 10 10.735 10.929 -7.374 1.00 25.00 H new ATOM 0 HH22 ARG A 10 12.485 10.695 -7.454 1.00 25.00 H new ATOM 156 N ALA A 11 11.643 7.889 -15.024 1.00 25.00 N ATOM 157 CA ALA A 11 13.087 7.524 -15.162 1.00 25.00 C ATOM 158 C ALA A 11 13.953 8.414 -16.122 1.00 25.00 C ATOM 159 O ALA A 11 15.173 8.556 -15.972 1.00 25.00 O ATOM 160 CB ALA A 11 13.144 5.964 -15.507 1.00 25.00 C ATOM 0 H ALA A 11 11.001 7.225 -15.457 1.00 25.00 H new ATOM 0 HA ALA A 11 13.576 7.737 -14.211 1.00 25.00 H new ATOM 0 HB1 ALA A 11 14.183 5.653 -15.617 1.00 25.00 H new ATOM 0 HB2 ALA A 11 12.679 5.396 -14.701 1.00 25.00 H new ATOM 0 HB3 ALA A 11 12.609 5.778 -16.438 1.00 25.00 H new ATOM 166 N ALA A 12 13.325 9.072 -17.082 1.00 25.00 N ATOM 167 CA ALA A 12 14.040 10.024 -17.946 1.00 25.00 C ATOM 168 C ALA A 12 14.325 11.317 -17.216 1.00 25.00 C ATOM 169 O ALA A 12 15.356 11.955 -17.323 1.00 25.00 O ATOM 170 CB ALA A 12 13.209 10.274 -19.232 1.00 25.00 C ATOM 0 H ALA A 12 12.331 8.973 -17.289 1.00 25.00 H new ATOM 0 HA ALA A 12 15.003 9.597 -18.225 1.00 25.00 H new ATOM 0 HB1 ALA A 12 13.736 10.979 -19.875 1.00 25.00 H new ATOM 0 HB2 ALA A 12 13.070 9.333 -19.764 1.00 25.00 H new ATOM 0 HB3 ALA A 12 12.236 10.686 -18.962 1.00 25.00 H new ATOM 176 N LEU A 13 13.445 11.796 -16.356 1.00 25.00 N ATOM 177 CA LEU A 13 13.735 13.062 -15.622 1.00 25.00 C ATOM 178 C LEU A 13 14.652 12.777 -14.463 1.00 25.00 C ATOM 179 O LEU A 13 15.455 13.607 -14.047 1.00 25.00 O ATOM 180 CB LEU A 13 12.379 13.643 -15.244 1.00 25.00 C ATOM 181 CG LEU A 13 11.764 14.407 -16.391 1.00 25.00 C ATOM 182 CD1 LEU A 13 10.313 14.747 -15.926 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.519 15.651 -16.663 1.00 75.00 C ATOM 0 H LEU A 13 12.548 11.363 -16.138 1.00 25.00 H new ATOM 0 HA LEU A 13 14.271 13.802 -16.216 1.00 25.00 H new ATOM 0 HB2 LEU A 13 11.709 12.838 -14.941 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.492 14.304 -14.385 1.00 25.00 H new ATOM 0 HG LEU A 13 11.777 13.825 -17.313 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.801 15.304 -16.710 1.00 75.00 H new ATOM 0 HD12 LEU A 13 9.770 13.824 -15.723 1.00 75.00 H new ATOM 0 HD13 LEU A 13 10.354 15.351 -15.019 1.00 75.00 H new ATOM 0 HD21 LEU A 13 12.056 16.183 -17.494 1.00 75.00 H new ATOM 0 HD22 LEU A 13 12.509 16.284 -15.776 1.00 75.00 H new ATOM 0 HD23 LEU A 13 13.549 15.403 -16.920 1.00 75.00 H new ATOM 398 N MET A 29 12.763 6.757 -4.398 1.00 25.00 N ATOM 399 CA MET A 29 11.963 6.282 -5.505 1.00 25.00 C ATOM 400 C MET A 29 11.470 4.870 -5.451 1.00 25.00 C ATOM 401 O MET A 29 10.542 4.526 -6.140 1.00 25.00 O ATOM 402 CB MET A 29 12.696 6.564 -6.816 1.00 25.00 C ATOM 403 CG MET A 29 13.965 5.651 -6.914 1.00 25.00 C ATOM 404 SD MET A 29 14.726 5.743 -8.595 1.00 25.00 S ATOM 405 CE MET A 29 15.719 4.372 -8.600 1.00 25.00 C ATOM 0 HA MET A 29 11.035 6.850 -5.431 1.00 25.00 H new ATOM 0 HB2 MET A 29 12.035 6.377 -7.662 1.00 25.00 H new ATOM 0 HB3 MET A 29 12.986 7.614 -6.864 1.00 25.00 H new ATOM 0 HG2 MET A 29 14.695 5.957 -6.164 1.00 25.00 H new ATOM 0 HG3 MET A 29 13.692 4.619 -6.691 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.239 4.303 -9.555 1.00 25.00 H new ATOM 0 HE2 MET A 29 16.449 4.448 -7.794 1.00 25.00 H new ATOM 0 HE3 MET A 29 15.109 3.480 -8.454 1.00 25.00 H new ATOM 415 N TYR A 30 12.039 3.999 -4.653 1.00 25.00 N ATOM 416 CA TYR A 30 11.598 2.645 -4.498 1.00 25.00 C ATOM 417 C TYR A 30 10.174 2.709 -3.900 1.00 25.00 C ATOM 418 O TYR A 30 9.327 1.904 -4.283 1.00 25.00 O ATOM 419 CB TYR A 30 12.477 1.825 -3.533 1.00 25.00 C ATOM 420 CG TYR A 30 11.967 0.384 -3.369 1.00 25.00 C ATOM 421 CD1 TYR A 30 11.905 -0.518 -4.477 1.00 50.00 C ATOM 422 CD2 TYR A 30 11.424 -0.084 -2.153 1.00 50.00 C ATOM 423 CE1 TYR A 30 11.223 -1.768 -4.448 1.00 25.00 C ATOM 424 CE2 TYR A 30 10.777 -1.337 -2.086 1.00 25.00 C ATOM 425 CZ TYR A 30 10.695 -2.149 -3.222 1.00 25.00 C ATOM 426 OH TYR A 30 10.082 -3.311 -3.118 1.00 25.00 O ATOM 0 H TYR A 30 12.849 4.227 -4.077 1.00 25.00 H new ATOM 0 HA TYR A 30 11.644 2.156 -5.471 1.00 25.00 H new ATOM 0 HB2 TYR A 30 13.502 1.806 -3.904 1.00 25.00 H new ATOM 0 HB3 TYR A 30 12.499 2.314 -2.559 1.00 25.00 H new ATOM 0 HD1 TYR A 30 12.406 -0.234 -5.391 1.00 50.00 H new ATOM 0 HD2 TYR A 30 11.504 0.523 -1.264 1.00 50.00 H new ATOM 0 HE1 TYR A 30 11.122 -2.384 -5.329 1.00 25.00 H new ATOM 0 HE2 TYR A 30 10.344 -1.670 -1.154 1.00 25.00 H new ATOM 0 HH TYR A 30 9.769 -3.434 -2.198 1.00 25.00 H new ATOM 436 N GLU A 31 9.910 3.626 -2.989 1.00 25.00 N ATOM 437 CA GLU A 31 8.645 3.642 -2.164 1.00 25.00 C ATOM 438 C GLU A 31 8.186 5.049 -1.730 1.00 25.00 C ATOM 439 O GLU A 31 7.962 5.312 -0.553 1.00 25.00 O ATOM 440 CB GLU A 31 8.919 2.738 -0.984 1.00 25.00 C ATOM 441 CG GLU A 31 10.230 3.018 -0.138 1.00 25.00 C ATOM 442 CD GLU A 31 10.271 2.284 1.174 1.00 25.00 C ATOM 443 OE1 GLU A 31 10.539 2.996 2.151 1.00 25.00 O ATOM 444 OE2 GLU A 31 9.884 1.035 1.240 1.00 25.00 O1- ATOM 0 H GLU A 31 10.545 4.395 -2.775 1.00 25.00 H new ATOM 0 HA GLU A 31 7.806 3.289 -2.764 1.00 25.00 H new ATOM 0 HB2 GLU A 31 8.065 2.796 -0.310 1.00 25.00 H new ATOM 0 HB3 GLU A 31 8.967 1.712 -1.350 1.00 25.00 H new ATOM 0 HG2 GLU A 31 11.101 2.736 -0.730 1.00 25.00 H new ATOM 0 HG3 GLU A 31 10.307 4.089 0.052 1.00 25.00 H new ATOM 451 N PRO A 32 8.096 6.075 -2.607 1.00 25.00 N ATOM 452 CA PRO A 32 7.847 7.388 -2.093 1.00 25.00 C ATOM 453 C PRO A 32 6.433 7.690 -1.579 1.00 25.00 C ATOM 454 O PRO A 32 6.197 8.667 -0.860 1.00 25.00 O ATOM 455 CB PRO A 32 8.205 8.315 -3.261 1.00 25.00 C ATOM 456 CG PRO A 32 7.830 7.631 -4.457 1.00 25.00 C ATOM 457 CD PRO A 32 8.282 6.152 -4.108 1.00 25.00 C ATOM 0 HA PRO A 32 8.439 7.521 -1.188 1.00 25.00 H new ATOM 0 HB2 PRO A 32 7.677 9.265 -3.177 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.271 8.541 -3.263 1.00 25.00 H new ATOM 0 HG2 PRO A 32 6.760 7.700 -4.655 1.00 25.00 H new ATOM 0 HG3 PRO A 32 8.342 8.023 -5.335 1.00 25.00 H new ATOM 0 HD2 PRO A 32 7.673 5.412 -4.627 1.00 25.00 H new ATOM 0 HD3 PRO A 32 9.318 5.970 -4.395 1.00 25.00 H new ATOM 465 N GLN A 33 5.446 6.895 -2.003 1.00 25.00 N ATOM 466 CA GLN A 33 4.107 7.014 -1.474 1.00 25.00 C ATOM 467 C GLN A 33 4.000 6.233 -0.180 1.00 25.00 C ATOM 468 O GLN A 33 2.935 6.366 0.483 1.00 25.00 O ATOM 469 CB GLN A 33 3.044 6.489 -2.447 1.00 25.00 C ATOM 470 CG GLN A 33 2.867 7.365 -3.686 1.00 25.00 C ATOM 471 CD GLN A 33 3.989 7.498 -4.648 1.00 25.00 C ATOM 472 OE1 GLN A 33 4.588 6.481 -5.144 1.00 25.00 O ATOM 473 NE2 GLN A 33 4.271 8.710 -5.092 1.00 25.00 N ATOM 0 H GLN A 33 5.560 6.168 -2.709 1.00 25.00 H new ATOM 0 HA GLN A 33 3.923 8.075 -1.308 1.00 25.00 H new ATOM 0 HB2 GLN A 33 3.316 5.481 -2.760 1.00 25.00 H new ATOM 0 HB3 GLN A 33 2.090 6.414 -1.925 1.00 25.00 H new ATOM 0 HG2 GLN A 33 2.007 6.984 -4.237 1.00 25.00 H new ATOM 0 HG3 GLN A 33 2.608 8.367 -3.344 1.00 25.00 H new ATOM 0 HE21 GLN A 33 3.795 9.521 -4.698 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.965 8.834 -5.829 1.00 25.00 H new ATOM 482 N SER A 34 5.005 5.523 0.313 1.00 25.00 N ATOM 483 CA SER A 34 4.885 4.599 1.478 1.00 25.00 C ATOM 484 C SER A 34 5.277 5.242 2.822 1.00 25.00 C ATOM 485 O SER A 34 5.538 4.570 3.850 1.00 25.00 O ATOM 486 CB SER A 34 5.778 3.348 1.242 1.00 25.00 C ATOM 487 OG SER A 34 5.280 2.272 1.997 1.00 25.00 O ATOM 0 H SER A 34 5.947 5.559 -0.076 1.00 25.00 H new ATOM 0 HA SER A 34 3.831 4.330 1.548 1.00 25.00 H new ATOM 0 HB2 SER A 34 5.789 3.090 0.183 1.00 25.00 H new ATOM 0 HB3 SER A 34 6.807 3.563 1.529 1.00 25.00 H new ATOM 0 HG SER A 34 5.166 2.552 2.929 1.00 25.00 H new ATOM 493 N LEU A 35 5.429 6.549 2.882 1.00 25.00 N ATOM 494 CA LEU A 35 5.847 7.200 4.085 1.00 25.00 C ATOM 495 C LEU A 35 4.639 7.281 4.945 1.00 25.00 C ATOM 496 O LEU A 35 3.528 7.353 4.480 1.00 25.00 O ATOM 497 CB LEU A 35 6.387 8.645 3.815 1.00 25.00 C ATOM 498 CG LEU A 35 7.789 8.931 3.452 1.00 25.00 C ATOM 499 CD1 LEU A 35 8.143 8.396 2.057 1.00 50.00 C ATOM 500 CD2 LEU A 35 8.014 10.482 3.519 1.00 50.00 C ATOM 0 H LEU A 35 5.265 7.179 2.097 1.00 25.00 H new ATOM 0 HA LEU A 35 6.660 6.642 4.549 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.771 9.060 3.017 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.177 9.225 4.714 1.00 25.00 H new ATOM 0 HG LEU A 35 8.445 8.422 4.158 1.00 25.00 H new ATOM 0 HD11 LEU A 35 9.184 8.629 1.831 1.00 50.00 H new ATOM 0 HD12 LEU A 35 8.000 7.316 2.034 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.497 8.863 1.313 1.00 50.00 H new ATOM 0 HD21 LEU A 35 9.046 10.712 3.253 1.00 50.00 H new ATOM 0 HD22 LEU A 35 7.340 10.978 2.820 1.00 50.00 H new ATOM 0 HD23 LEU A 35 7.812 10.836 4.530 1.00 50.00 H new ATOM 512 N GLU A 36 4.817 7.284 6.274 1.00 25.00 N ATOM 513 CA GLU A 36 3.735 7.165 7.283 1.00 25.00 C ATOM 514 C GLU A 36 3.924 8.066 8.484 1.00 25.00 C ATOM 515 O GLU A 36 5.024 8.433 8.735 1.00 25.00 O ATOM 516 CB GLU A 36 3.675 5.728 7.777 1.00 25.00 C ATOM 517 CG GLU A 36 3.281 4.737 6.690 1.00 25.00 C ATOM 518 CD GLU A 36 3.564 3.320 7.181 1.00 25.00 C ATOM 519 OE1 GLU A 36 2.667 2.466 7.243 1.00 25.00 O ATOM 520 OE2 GLU A 36 4.736 3.043 7.500 1.00 25.00 O1- ATOM 0 H GLU A 36 5.741 7.371 6.697 1.00 25.00 H new ATOM 0 HA GLU A 36 2.814 7.470 6.787 1.00 25.00 H new ATOM 0 HB2 GLU A 36 4.648 5.448 8.180 1.00 25.00 H new ATOM 0 HB3 GLU A 36 2.960 5.662 8.597 1.00 25.00 H new ATOM 0 HG2 GLU A 36 2.224 4.847 6.446 1.00 25.00 H new ATOM 0 HG3 GLU A 36 3.841 4.938 5.777 1.00 25.00 H new ATOM 527 N ALA A 37 2.874 8.311 9.209 1.00 25.00 N ATOM 528 CA ALA A 37 2.949 8.853 10.563 1.00 25.00 C ATOM 529 C ALA A 37 1.739 8.136 11.204 1.00 25.00 C ATOM 530 O ALA A 37 0.795 7.768 10.454 1.00 25.00 O ATOM 531 CB ALA A 37 2.848 10.374 10.605 1.00 25.00 C ATOM 0 H ALA A 37 1.921 8.143 8.886 1.00 25.00 H new ATOM 0 HA ALA A 37 3.897 8.682 11.073 1.00 25.00 H new ATOM 0 HB1 ALA A 37 2.910 10.714 11.639 1.00 25.00 H new ATOM 0 HB2 ALA A 37 3.665 10.809 10.030 1.00 25.00 H new ATOM 0 HB3 ALA A 37 1.896 10.687 10.177 1.00 25.00 H new ATOM 537 N LYS A 38 1.747 7.845 12.490 1.00 25.00 N ATOM 538 CA LYS A 38 0.640 7.143 13.109 1.00 25.00 C ATOM 539 C LYS A 38 -0.287 8.227 13.598 1.00 25.00 C ATOM 540 O LYS A 38 0.204 9.234 14.069 1.00 25.00 O ATOM 541 CB LYS A 38 1.197 6.335 14.280 1.00 25.00 C ATOM 542 CG LYS A 38 0.265 5.302 14.853 1.00 25.00 C ATOM 543 CD LYS A 38 0.845 4.589 16.099 1.00 25.00 C ATOM 544 CE LYS A 38 -0.070 3.571 16.645 1.00 25.00 C ATOM 545 NZ LYS A 38 0.369 2.850 17.896 1.00 25.00 N1+ ATOM 0 H LYS A 38 2.508 8.084 13.126 1.00 25.00 H new ATOM 0 HA LYS A 38 0.120 6.460 12.437 1.00 25.00 H new ATOM 0 HB2 LYS A 38 2.109 5.835 13.953 1.00 25.00 H new ATOM 0 HB3 LYS A 38 1.479 7.026 15.075 1.00 25.00 H new ATOM 0 HG2 LYS A 38 -0.678 5.780 15.120 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.040 4.559 14.088 1.00 25.00 H new ATOM 0 HD2 LYS A 38 1.792 4.118 15.836 1.00 25.00 H new ATOM 0 HD3 LYS A 38 1.061 5.329 16.869 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -1.027 4.052 16.850 1.00 25.00 H new ATOM 0 HE3 LYS A 38 -0.247 2.825 15.870 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 -0.361 2.163 18.175 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 1.263 2.351 17.713 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 0.508 3.539 18.663 1.00 25.00 H new ATOM 559 N LYS A 39 -1.580 7.930 13.549 1.00 25.00 N ATOM 560 CA LYS A 39 -2.594 8.833 14.047 1.00 25.00 C ATOM 561 C LYS A 39 -2.655 8.784 15.624 1.00 25.00 C ATOM 562 O LYS A 39 -2.181 7.865 16.283 1.00 25.00 O ATOM 563 CB LYS A 39 -3.994 8.457 13.470 1.00 25.00 C ATOM 564 CG LYS A 39 -4.244 9.098 12.078 1.00 25.00 C ATOM 565 CD LYS A 39 -5.340 8.325 11.307 1.00 25.00 C ATOM 566 CE LYS A 39 -4.947 6.930 10.735 1.00 25.00 C ATOM 567 NZ LYS A 39 -6.073 6.289 9.993 1.00 25.00 N1+ ATOM 0 H LYS A 39 -1.947 7.060 13.164 1.00 25.00 H new ATOM 0 HA LYS A 39 -2.330 9.841 13.727 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -4.073 7.373 13.389 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -4.770 8.782 14.163 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -4.544 10.139 12.200 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -3.319 9.099 11.501 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -6.193 8.191 11.972 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -5.677 8.949 10.479 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -4.091 7.040 10.069 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -4.634 6.279 11.551 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -5.790 5.336 9.688 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -6.904 6.221 10.614 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.310 6.863 9.159 1.00 25.00 H new ATOM 781 N LEU A 57 10.537 17.269 4.501 1.00 25.00 N ATOM 782 CA LEU A 57 11.516 17.953 3.629 1.00 25.00 C ATOM 783 C LEU A 57 10.878 19.043 2.821 1.00 25.00 C ATOM 784 O LEU A 57 11.457 19.367 1.761 1.00 25.00 O ATOM 785 CB LEU A 57 12.248 17.013 2.727 1.00 25.00 C ATOM 786 CG LEU A 57 13.098 15.911 3.342 1.00 25.00 C ATOM 787 CD1 LEU A 57 13.452 14.798 2.295 1.00 50.00 C ATOM 788 CD2 LEU A 57 14.393 16.453 3.948 1.00 50.00 C ATOM 0 HA LEU A 57 12.246 18.398 4.304 1.00 25.00 H new ATOM 0 HB2 LEU A 57 11.511 16.537 2.080 1.00 25.00 H new ATOM 0 HB3 LEU A 57 12.897 17.610 2.086 1.00 25.00 H new ATOM 0 HG LEU A 57 12.493 15.476 4.137 1.00 25.00 H new ATOM 0 HD11 LEU A 57 14.060 14.029 2.773 1.00 50.00 H new ATOM 0 HD12 LEU A 57 12.534 14.351 1.915 1.00 50.00 H new ATOM 0 HD13 LEU A 57 14.009 15.240 1.469 1.00 50.00 H new ATOM 0 HD21 LEU A 57 14.967 15.631 4.375 1.00 50.00 H new ATOM 0 HD22 LEU A 57 14.982 16.942 3.171 1.00 50.00 H new ATOM 0 HD23 LEU A 57 14.155 17.174 4.730 1.00 50.00 H new ATOM 800 N PHE A 58 9.900 19.720 3.381 1.00 25.00 N ATOM 801 CA PHE A 58 9.745 21.173 3.162 1.00 25.00 C ATOM 802 C PHE A 58 10.977 21.846 3.751 1.00 25.00 C ATOM 803 O PHE A 58 11.426 22.811 3.209 1.00 25.00 O ATOM 804 CB PHE A 58 8.437 21.719 3.651 1.00 25.00 C ATOM 805 CG PHE A 58 8.475 22.058 5.129 1.00 25.00 C ATOM 806 CD1 PHE A 58 8.375 20.981 6.055 1.00 50.00 C ATOM 807 CD2 PHE A 58 8.712 23.352 5.614 1.00 50.00 C ATOM 808 CE1 PHE A 58 8.532 21.177 7.470 1.00 25.00 C ATOM 809 CE2 PHE A 58 8.752 23.606 6.995 1.00 25.00 C ATOM 810 CZ PHE A 58 8.746 22.550 7.913 1.00 25.00 C ATOM 0 H PHE A 58 9.195 19.306 3.991 1.00 25.00 H new ATOM 0 HA PHE A 58 9.693 21.392 2.096 1.00 25.00 H new ATOM 0 HB2 PHE A 58 8.182 22.613 3.081 1.00 25.00 H new ATOM 0 HB3 PHE A 58 7.649 20.989 3.467 1.00 25.00 H new ATOM 0 HD1 PHE A 58 8.175 19.987 5.683 1.00 50.00 H new ATOM 0 HD2 PHE A 58 8.866 24.163 4.918 1.00 50.00 H new ATOM 0 HE1 PHE A 58 8.494 20.353 8.167 1.00 25.00 H new ATOM 0 HE2 PHE A 58 8.788 24.625 7.351 1.00 25.00 H new ATOM 0 HZ PHE A 58 8.902 22.754 8.962 1.00 25.00 H new ATOM 820 N GLY A 59 11.662 21.261 4.743 1.00 25.00 N ATOM 821 CA GLY A 59 13.026 21.747 5.095 1.00 25.00 C ATOM 822 C GLY A 59 14.143 21.333 4.130 1.00 25.00 C ATOM 823 O GLY A 59 15.240 21.889 4.153 1.00 25.00 O ATOM 0 H GLY A 59 11.321 20.480 5.304 1.00 25.00 H new ATOM 0 HA2 GLY A 59 13.002 22.835 5.150 1.00 25.00 H new ATOM 0 HA3 GLY A 59 13.277 21.383 6.091 1.00 25.00 H new ATOM 827 N GLY A 60 13.861 20.446 3.217 1.00 25.00 N ATOM 828 CA GLY A 60 14.853 20.049 2.240 1.00 25.00 C ATOM 829 C GLY A 60 15.241 21.052 1.143 1.00 25.00 C ATOM 830 O GLY A 60 16.183 20.764 0.316 1.00 25.00 O ATOM 0 H GLY A 60 12.958 19.982 3.123 1.00 25.00 H new ATOM 0 HA2 GLY A 60 15.761 19.780 2.780 1.00 25.00 H new ATOM 0 HA3 GLY A 60 14.493 19.144 1.750 1.00 25.00 H new ATOM 834 N ILE A 61 14.592 22.164 1.176 1.00 25.00 N ATOM 835 CA ILE A 61 14.812 23.256 0.246 1.00 25.00 C ATOM 836 C ILE A 61 16.262 23.744 0.462 1.00 25.00 C ATOM 837 O ILE A 61 16.990 24.102 -0.445 1.00 25.00 O ATOM 838 CB ILE A 61 13.832 24.449 0.486 1.00 25.00 C ATOM 839 CG1 ILE A 61 12.411 24.041 0.143 1.00 25.00 C ATOM 840 CG2 ILE A 61 14.232 25.660 -0.441 1.00 25.00 C ATOM 841 CD1 ILE A 61 11.298 24.942 0.628 1.00 25.00 C ATOM 0 H ILE A 61 13.867 22.361 1.866 1.00 25.00 H new ATOM 0 HA ILE A 61 14.638 22.901 -0.770 1.00 25.00 H new ATOM 0 HB ILE A 61 13.892 24.736 1.536 1.00 25.00 H new ATOM 0 HG12 ILE A 61 12.334 23.963 -0.941 1.00 25.00 H new ATOM 0 HG13 ILE A 61 12.239 23.044 0.547 1.00 25.00 H new ATOM 0 HG21 ILE A 61 13.546 26.490 -0.271 1.00 25.00 H new ATOM 0 HG22 ILE A 61 15.249 25.976 -0.208 1.00 25.00 H new ATOM 0 HG23 ILE A 61 14.177 25.352 -1.485 1.00 25.00 H new ATOM 0 HD11 ILE A 61 10.337 24.534 0.315 1.00 25.00 H new ATOM 0 HD12 ILE A 61 11.328 25.004 1.716 1.00 25.00 H new ATOM 0 HD13 ILE A 61 11.425 25.938 0.204 1.00 25.00 H new ATOM 853 N LEU A 62 16.631 23.805 1.743 1.00 25.00 N ATOM 854 CA LEU A 62 17.943 24.285 2.164 1.00 25.00 C ATOM 855 C LEU A 62 19.038 23.250 1.840 1.00 25.00 C ATOM 856 O LEU A 62 20.189 23.558 1.659 1.00 25.00 O ATOM 857 CB LEU A 62 18.008 24.501 3.701 1.00 25.00 C ATOM 858 CG LEU A 62 17.328 25.697 4.333 1.00 25.00 C ATOM 859 CD1 LEU A 62 15.760 25.643 4.066 1.00 75.00 C ATOM 860 CD2 LEU A 62 17.570 25.677 5.823 1.00 75.00 C ATOM 0 H LEU A 62 16.027 23.523 2.515 1.00 25.00 H new ATOM 0 HA LEU A 62 18.103 25.222 1.630 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.594 23.609 4.170 1.00 25.00 H new ATOM 0 HB3 LEU A 62 19.062 24.546 3.976 1.00 25.00 H new ATOM 0 HG LEU A 62 17.737 26.608 3.896 1.00 25.00 H new ATOM 0 HD11 LEU A 62 15.283 26.508 4.526 1.00 75.00 H new ATOM 0 HD12 LEU A 62 15.573 25.653 2.992 1.00 75.00 H new ATOM 0 HD13 LEU A 62 15.349 24.730 4.497 1.00 75.00 H new ATOM 0 HD21 LEU A 62 17.082 26.537 6.282 1.00 75.00 H new ATOM 0 HD22 LEU A 62 17.161 24.759 6.246 1.00 75.00 H new ATOM 0 HD23 LEU A 62 18.641 25.721 6.018 1.00 75.00 H new ATOM 872 N ASP A 63 18.596 22.008 1.836 1.00 25.00 N ATOM 873 CA ASP A 63 19.532 20.882 1.853 1.00 25.00 C ATOM 874 C ASP A 63 19.585 20.081 0.514 1.00 25.00 C ATOM 875 O ASP A 63 19.881 18.874 0.434 1.00 25.00 O ATOM 876 CB ASP A 63 19.044 20.038 3.001 1.00 25.00 C ATOM 877 CG ASP A 63 20.004 18.990 3.341 1.00 25.00 C ATOM 878 OD1 ASP A 63 19.625 17.939 3.884 1.00 50.00 O ATOM 879 OD2 ASP A 63 21.211 19.217 3.132 1.00 50.00 O1- ATOM 0 H ASP A 63 17.610 21.746 1.821 1.00 25.00 H new ATOM 0 HA ASP A 63 20.562 21.219 1.972 1.00 25.00 H new ATOM 0 HB2 ASP A 63 18.871 20.671 3.871 1.00 25.00 H new ATOM 0 HB3 ASP A 63 18.087 19.586 2.741 1.00 25.00 H new ATOM 884 N GLN A 64 19.161 20.767 -0.560 1.00 25.00 N ATOM 885 CA GLN A 64 18.931 20.153 -1.893 1.00 25.00 C ATOM 886 C GLN A 64 20.109 19.784 -2.808 1.00 25.00 C ATOM 887 O GLN A 64 20.083 20.050 -4.019 1.00 25.00 O ATOM 888 CB GLN A 64 17.935 21.104 -2.641 1.00 25.00 C ATOM 889 CG GLN A 64 17.001 20.389 -3.569 1.00 25.00 C ATOM 890 CD GLN A 64 16.113 19.414 -2.823 1.00 25.00 C ATOM 891 OE1 GLN A 64 16.519 18.269 -2.722 1.00 25.00 O ATOM 892 NE2 GLN A 64 14.956 19.836 -2.354 1.00 25.00 N ATOM 0 H GLN A 64 18.965 21.768 -0.536 1.00 25.00 H new ATOM 0 HA GLN A 64 18.564 19.152 -1.668 1.00 25.00 H new ATOM 0 HB2 GLN A 64 17.350 21.655 -1.904 1.00 25.00 H new ATOM 0 HB3 GLN A 64 18.506 21.839 -3.209 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.383 21.116 -4.095 1.00 25.00 H new ATOM 0 HG3 GLN A 64 17.576 19.854 -4.324 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.681 20.811 -2.476 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.335 19.188 -1.869 1.00 25.00 H new ATOM 901 N GLN A 65 21.151 19.226 -2.224 1.00 25.00 N ATOM 902 CA GLN A 65 22.414 18.838 -2.910 1.00 25.00 C ATOM 903 C GLN A 65 22.795 17.481 -2.338 1.00 25.00 C ATOM 904 O GLN A 65 23.948 17.219 -1.924 1.00 25.00 O ATOM 905 CB GLN A 65 23.533 19.829 -2.630 1.00 25.00 C ATOM 906 CG GLN A 65 23.327 21.140 -3.430 1.00 25.00 C ATOM 907 CD GLN A 65 24.585 22.064 -3.336 1.00 25.00 C ATOM 908 OE1 GLN A 65 25.561 21.846 -4.005 1.00 25.00 O ATOM 909 NE2 GLN A 65 24.509 23.058 -2.529 1.00 25.00 N ATOM 0 H GLN A 65 21.164 19.014 -1.226 1.00 25.00 H new ATOM 0 HA GLN A 65 22.268 18.817 -3.990 1.00 25.00 H new ATOM 0 HB2 GLN A 65 23.568 20.051 -1.563 1.00 25.00 H new ATOM 0 HB3 GLN A 65 24.492 19.384 -2.895 1.00 25.00 H new ATOM 0 HG2 GLN A 65 23.124 20.904 -4.474 1.00 25.00 H new ATOM 0 HG3 GLN A 65 22.454 21.669 -3.047 1.00 25.00 H new ATOM 0 HE21 GLN A 65 23.662 23.206 -1.980 1.00 25.00 H new ATOM 0 HE22 GLN A 65 25.296 23.701 -2.436 1.00 25.00 H new ATOM 918 N SER A 66 21.805 16.595 -2.246 1.00 25.00 N ATOM 919 CA SER A 66 21.996 15.235 -1.758 1.00 25.00 C ATOM 920 C SER A 66 21.131 14.273 -2.513 1.00 25.00 C ATOM 921 O SER A 66 20.490 14.577 -3.516 1.00 25.00 O ATOM 922 CB SER A 66 21.598 15.227 -0.230 1.00 25.00 C ATOM 923 OG SER A 66 22.203 14.186 0.486 1.00 25.00 O ATOM 0 H SER A 66 20.842 16.804 -2.510 1.00 25.00 H new ATOM 0 HA SER A 66 23.032 14.927 -1.897 1.00 25.00 H new ATOM 0 HB2 SER A 66 21.878 16.180 0.218 1.00 25.00 H new ATOM 0 HB3 SER A 66 20.515 15.140 -0.142 1.00 25.00 H new ATOM 0 HG SER A 66 21.924 14.229 1.424 1.00 25.00 H new ATOM 929 N GLU A 67 21.141 13.031 -2.021 1.00 25.00 N ATOM 930 CA GLU A 67 20.369 11.919 -2.567 1.00 25.00 C ATOM 931 C GLU A 67 18.854 12.174 -2.510 1.00 25.00 C ATOM 932 O GLU A 67 18.041 11.637 -3.307 1.00 25.00 O ATOM 933 CB GLU A 67 20.715 10.576 -2.006 1.00 25.00 C ATOM 934 CG GLU A 67 22.111 10.118 -2.468 1.00 25.00 C ATOM 935 CD GLU A 67 23.323 10.792 -1.759 1.00 25.00 C ATOM 936 OE1 GLU A 67 23.232 11.160 -0.544 1.00 25.00 O ATOM 937 OE2 GLU A 67 24.387 10.926 -2.417 1.00 25.00 O1- ATOM 0 H GLU A 67 21.702 12.768 -1.211 1.00 25.00 H new ATOM 0 HA GLU A 67 20.669 11.879 -3.614 1.00 25.00 H new ATOM 0 HB2 GLU A 67 20.685 10.616 -0.917 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.969 9.846 -2.319 1.00 25.00 H new ATOM 0 HG2 GLU A 67 22.184 9.040 -2.322 1.00 25.00 H new ATOM 0 HG3 GLU A 67 22.195 10.301 -3.539 1.00 25.00 H new ATOM 944 N ASN A 68 18.410 13.083 -1.610 1.00 25.00 N ATOM 945 CA ASN A 68 16.994 13.568 -1.458 1.00 25.00 C ATOM 946 C ASN A 68 16.601 14.584 -2.541 1.00 25.00 C ATOM 947 O ASN A 68 15.454 15.024 -2.580 1.00 25.00 O ATOM 948 CB ASN A 68 16.797 14.265 -0.094 1.00 25.00 C ATOM 949 CG ASN A 68 16.746 13.220 1.055 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.465 12.066 0.832 1.00 25.00 O ATOM 951 ND2 ASN A 68 17.228 13.600 2.198 1.00 25.00 N ATOM 0 H ASN A 68 19.041 13.522 -0.940 1.00 25.00 H new ATOM 0 HA ASN A 68 16.367 12.680 -1.545 1.00 25.00 H new ATOM 0 HB2 ASN A 68 17.612 14.967 0.082 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.874 14.845 -0.106 1.00 25.00 H new ATOM 0 HD21 ASN A 68 17.380 12.917 2.940 1.00 25.00 H new ATOM 0 HD22 ASN A 68 17.455 14.582 2.355 1.00 25.00 H new ATOM 958 N ARG A 69 17.453 14.889 -3.490 1.00 25.00 N ATOM 959 CA ARG A 69 17.083 15.705 -4.657 1.00 25.00 C ATOM 960 C ARG A 69 16.538 14.904 -5.768 1.00 25.00 C ATOM 961 O ARG A 69 17.144 14.392 -6.700 1.00 25.00 O ATOM 962 CB ARG A 69 18.325 16.460 -5.119 1.00 25.00 C ATOM 963 CG ARG A 69 18.078 17.366 -6.249 1.00 25.00 C ATOM 964 CD ARG A 69 19.410 17.964 -6.782 1.00 25.00 C ATOM 965 NE ARG A 69 19.158 19.006 -7.834 1.00 25.00 N ATOM 966 CZ ARG A 69 19.023 20.343 -7.651 1.00 25.00 C ATOM 967 NH1 ARG A 69 19.208 21.053 -6.535 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 18.699 21.042 -8.727 1.00 25.00 N ATOM 0 H ARG A 69 18.427 14.586 -3.489 1.00 25.00 H new ATOM 0 HA ARG A 69 16.291 16.391 -4.357 1.00 25.00 H new ATOM 0 HB2 ARG A 69 18.722 17.036 -4.283 1.00 25.00 H new ATOM 0 HB3 ARG A 69 19.093 15.740 -5.403 1.00 25.00 H new ATOM 0 HG2 ARG A 69 17.571 16.826 -7.049 1.00 25.00 H new ATOM 0 HG3 ARG A 69 17.413 18.171 -5.936 1.00 25.00 H new ATOM 0 HD2 ARG A 69 19.969 18.405 -5.957 1.00 25.00 H new ATOM 0 HD3 ARG A 69 20.028 17.168 -7.196 1.00 25.00 H new ATOM 0 HE ARG A 69 19.080 18.670 -8.794 1.00 25.00 H new ATOM 0 HH11 ARG A 69 19.489 20.585 -5.673 1.00 25.00 H new ATOM 0 HH12 ARG A 69 19.069 22.063 -6.544 1.00 25.00 H new ATOM 0 HH21 ARG A 69 18.567 20.570 -9.621 1.00 25.00 H new ATOM 0 HH22 ARG A 69 18.581 22.053 -8.662 1.00 25.00 H new ATOM 982 N TRP A 70 15.287 14.744 -5.510 1.00 25.00 N ATOM 983 CA TRP A 70 14.251 14.466 -6.511 1.00 25.00 C ATOM 984 C TRP A 70 14.162 15.584 -7.545 1.00 25.00 C ATOM 985 O TRP A 70 14.392 16.746 -7.203 1.00 25.00 O ATOM 986 CB TRP A 70 12.906 14.208 -5.830 1.00 25.00 C ATOM 987 CG TRP A 70 12.583 15.132 -4.644 1.00 25.00 C ATOM 988 CD1 TRP A 70 12.764 16.525 -4.567 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.983 14.784 -3.389 1.00 25.00 C ATOM 990 NE1 TRP A 70 12.341 17.063 -3.347 1.00 25.00 N ATOM 991 CE2 TRP A 70 11.916 16.017 -2.578 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.564 13.565 -2.816 1.00 25.00 C ATOM 993 CZ2 TRP A 70 11.505 15.998 -1.284 1.00 25.00 C ATOM 994 CZ3 TRP A 70 11.187 13.580 -1.501 1.00 25.00 C ATOM 995 CH2 TRP A 70 11.103 14.799 -0.778 1.00 25.00 C ATOM 0 H TRP A 70 14.916 14.801 -4.562 1.00 25.00 H new ATOM 0 HA TRP A 70 14.529 13.561 -7.051 1.00 25.00 H new ATOM 0 HB2 TRP A 70 12.115 14.309 -6.574 1.00 25.00 H new ATOM 0 HB3 TRP A 70 12.886 13.176 -5.481 1.00 25.00 H new ATOM 0 HD1 TRP A 70 13.185 17.117 -5.366 1.00 25.00 H new ATOM 0 HE1 TRP A 70 12.348 18.048 -3.082 1.00 25.00 H new ATOM 0 HE3 TRP A 70 11.542 12.653 -3.394 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 11.497 16.895 -0.682 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.950 12.650 -1.005 1.00 25.00 H new ATOM 0 HH2 TRP A 70 10.700 14.774 0.224 1.00 25.00 H new ATOM 1006 N PHE A 71 13.799 15.260 -8.769 1.00 25.00 N ATOM 1007 CA PHE A 71 13.799 16.212 -9.865 1.00 25.00 C ATOM 1008 C PHE A 71 12.599 17.074 -9.658 1.00 25.00 C ATOM 1009 O PHE A 71 11.620 16.572 -9.210 1.00 25.00 O ATOM 1010 CB PHE A 71 13.776 15.525 -11.196 1.00 25.00 C ATOM 1011 CG PHE A 71 12.635 14.639 -11.465 1.00 25.00 C ATOM 1012 CD1 PHE A 71 12.756 13.271 -11.286 1.00 50.00 C ATOM 1013 CD2 PHE A 71 11.379 15.109 -11.911 1.00 50.00 C ATOM 1014 CE1 PHE A 71 11.702 12.404 -11.527 1.00 25.00 C ATOM 1015 CE2 PHE A 71 10.288 14.258 -12.144 1.00 25.00 C ATOM 1016 CZ PHE A 71 10.425 12.909 -11.940 1.00 25.00 C ATOM 0 H PHE A 71 13.494 14.324 -9.035 1.00 25.00 H new ATOM 0 HA PHE A 71 14.711 16.809 -9.871 1.00 25.00 H new ATOM 0 HB2 PHE A 71 13.803 16.289 -11.973 1.00 25.00 H new ATOM 0 HB3 PHE A 71 14.691 14.940 -11.292 1.00 25.00 H new ATOM 0 HD1 PHE A 71 13.700 12.868 -10.949 1.00 50.00 H new ATOM 0 HD2 PHE A 71 11.254 16.168 -12.080 1.00 50.00 H new ATOM 0 HE1 PHE A 71 11.843 11.341 -11.403 1.00 25.00 H new ATOM 0 HE2 PHE A 71 9.346 14.663 -12.482 1.00 25.00 H new ATOM 0 HZ PHE A 71 9.589 12.241 -12.087 1.00 25.00 H new ATOM 1026 N LYS A 72 12.668 18.345 -10.038 1.00 25.00 N ATOM 1027 CA LYS A 72 11.491 19.277 -9.981 1.00 25.00 C ATOM 1028 C LYS A 72 10.754 19.004 -11.268 1.00 25.00 C ATOM 1029 O LYS A 72 11.357 19.051 -12.322 1.00 25.00 O ATOM 1030 CB LYS A 72 11.981 20.699 -9.963 1.00 25.00 C ATOM 1031 CG LYS A 72 12.885 21.021 -8.766 1.00 25.00 C ATOM 1032 CD LYS A 72 14.083 21.937 -9.185 1.00 25.00 C ATOM 1033 CE LYS A 72 13.587 23.314 -9.581 1.00 25.00 C ATOM 1034 NZ LYS A 72 14.722 24.291 -9.630 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.520 18.778 -10.394 1.00 25.00 H new ATOM 0 HA LYS A 72 10.868 19.132 -9.098 1.00 25.00 H new ATOM 0 HB2 LYS A 72 12.528 20.898 -10.885 1.00 25.00 H new ATOM 0 HB3 LYS A 72 11.122 21.370 -9.950 1.00 25.00 H new ATOM 0 HG2 LYS A 72 12.301 21.516 -7.990 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.266 20.095 -8.336 1.00 25.00 H new ATOM 0 HD2 LYS A 72 14.789 22.022 -8.359 1.00 25.00 H new ATOM 0 HD3 LYS A 72 14.620 21.484 -10.018 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.101 23.265 -10.555 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.837 23.655 -8.867 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 14.362 25.228 -9.903 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 15.169 24.351 -8.693 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.424 23.973 -10.328 1.00 25.00 H new ATOM 1048 N HIS A 73 9.499 18.602 -11.178 1.00 25.00 N ATOM 1049 CA HIS A 73 8.791 18.426 -12.422 1.00 25.00 C ATOM 1050 C HIS A 73 8.504 19.765 -12.930 1.00 25.00 C ATOM 1051 O HIS A 73 7.831 20.496 -12.279 1.00 25.00 O ATOM 1052 CB HIS A 73 7.532 17.527 -12.408 1.00 25.00 C ATOM 1053 CG HIS A 73 7.207 16.937 -13.729 1.00 25.00 C ATOM 1054 ND1 HIS A 73 7.048 17.673 -14.905 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.070 15.648 -14.102 1.00 25.00 C ATOM 1056 CE1 HIS A 73 6.907 16.832 -15.950 1.00 25.00 C ATOM 1057 NE2 HIS A 73 6.925 15.563 -15.492 1.00 25.00 N ATOM 0 H HIS A 73 8.983 18.404 -10.321 1.00 25.00 H new ATOM 0 HA HIS A 73 9.443 17.851 -13.080 1.00 25.00 H new ATOM 0 HB2 HIS A 73 7.678 16.723 -11.687 1.00 25.00 H new ATOM 0 HB3 HIS A 73 6.681 18.114 -12.063 1.00 25.00 H new ATOM 0 HD1 HIS A 73 7.040 18.691 -14.965 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.072 14.805 -13.427 1.00 25.00 H new ATOM 0 HE1 HIS A 73 6.798 17.126 -16.983 1.00 25.00 H new ATOM 1065 N ILE A 74 9.004 20.098 -14.112 1.00 25.00 N ATOM 1066 CA ILE A 74 8.680 21.395 -14.763 1.00 25.00 C ATOM 1067 C ILE A 74 7.274 21.200 -15.269 1.00 25.00 C ATOM 1068 O ILE A 74 6.977 20.220 -15.931 1.00 25.00 O ATOM 1069 CB ILE A 74 9.564 21.702 -15.961 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.077 21.847 -15.542 1.00 25.00 C ATOM 1071 CG2 ILE A 74 9.094 22.965 -16.706 1.00 25.00 C ATOM 1072 CD1 ILE A 74 12.068 21.793 -16.668 1.00 25.00 C ATOM 0 H ILE A 74 9.634 19.503 -14.651 1.00 25.00 H new ATOM 0 HA ILE A 74 8.817 22.216 -14.059 1.00 25.00 H new ATOM 0 HB ILE A 74 9.477 20.855 -16.641 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.201 22.794 -15.017 1.00 25.00 H new ATOM 0 HG13 ILE A 74 11.317 21.055 -14.832 1.00 25.00 H new ATOM 0 HG21 ILE A 74 9.751 23.152 -17.556 1.00 25.00 H new ATOM 0 HG22 ILE A 74 8.074 22.820 -17.061 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.125 23.819 -16.029 1.00 25.00 H new ATOM 0 HD11 ILE A 74 13.077 21.902 -16.270 1.00 25.00 H new ATOM 0 HD12 ILE A 74 11.982 20.836 -17.182 1.00 25.00 H new ATOM 0 HD13 ILE A 74 11.865 22.602 -17.370 1.00 25.00 H new ATOM 1084 N MET A 75 6.353 22.104 -14.987 1.00 25.00 N ATOM 1085 CA MET A 75 5.009 22.108 -15.430 1.00 25.00 C ATOM 1086 C MET A 75 4.714 23.569 -15.737 1.00 25.00 C ATOM 1087 O MET A 75 5.371 24.439 -15.196 1.00 25.00 O ATOM 1088 CB MET A 75 4.079 21.709 -14.262 1.00 25.00 C ATOM 1089 CG MET A 75 4.266 20.337 -13.624 1.00 25.00 C ATOM 1090 SD MET A 75 4.057 18.991 -14.829 1.00 25.00 S ATOM 1091 CE MET A 75 2.250 18.995 -15.117 1.00 25.00 C ATOM 0 H MET A 75 6.563 22.908 -14.395 1.00 25.00 H new ATOM 0 HA MET A 75 4.860 21.430 -16.271 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.190 22.458 -13.478 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.051 21.772 -14.619 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.260 20.276 -13.181 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.548 20.213 -12.814 1.00 25.00 H new ATOM 0 HE1 MET A 75 1.985 18.172 -15.780 1.00 25.00 H new ATOM 0 HE2 MET A 75 1.730 18.877 -14.166 1.00 25.00 H new ATOM 0 HE3 MET A 75 1.957 19.939 -15.576 1.00 25.00 H new ATOM 1101 N THR A 76 3.811 23.744 -16.687 1.00 25.00 N ATOM 1102 CA THR A 76 3.403 25.032 -17.208 1.00 25.00 C ATOM 1103 C THR A 76 2.275 25.463 -16.305 1.00 25.00 C ATOM 1104 O THR A 76 1.863 24.709 -15.380 1.00 25.00 O ATOM 1105 CB THR A 76 2.879 24.946 -18.667 1.00 25.00 C ATOM 1106 OG1 THR A 76 1.875 23.957 -18.713 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.063 24.581 -19.622 1.00 25.00 C ATOM 0 H THR A 76 3.326 22.964 -17.130 1.00 25.00 H new ATOM 0 HA THR A 76 4.246 25.723 -17.228 1.00 25.00 H new ATOM 0 HB THR A 76 2.464 25.901 -18.989 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.527 23.886 -19.626 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.698 24.520 -20.647 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.834 25.349 -19.556 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.484 23.619 -19.329 1.00 25.00 H new ATOM 1115 N GLY A 77 1.751 26.650 -16.522 1.00 25.00 N ATOM 1116 CA GLY A 77 0.555 27.172 -15.875 1.00 25.00 C ATOM 1117 C GLY A 77 -0.624 26.374 -16.406 1.00 25.00 C ATOM 1118 O GLY A 77 -0.555 25.660 -17.315 1.00 25.00 O ATOM 0 H GLY A 77 2.161 27.311 -17.182 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.629 27.075 -14.792 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.431 28.233 -16.092 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.777 26.640 -15.828 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.066 26.088 -16.183 1.00 25.00 C ATOM 1124 C GLY A 78 -3.363 24.776 -15.472 1.00 25.00 C ATOM 1125 O GLY A 78 -2.590 24.333 -14.666 1.00 25.00 O ATOM 0 H GLY A 78 -1.842 27.291 -15.046 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.845 26.811 -15.941 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -3.103 25.928 -17.261 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.522 24.210 -15.711 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.915 22.952 -15.066 1.00 25.00 C ATOM 1131 C GLU A 79 -4.176 21.719 -15.601 1.00 25.00 C ATOM 1132 O GLU A 79 -3.998 21.720 -16.835 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.385 22.667 -14.986 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.165 22.534 -16.282 1.00 25.00 C ATOM 1135 CD GLU A 79 -7.196 21.066 -16.852 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -7.594 20.906 -18.132 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -6.887 20.029 -16.205 1.00 25.00 O1- ATOM 0 H GLU A 79 -5.221 24.592 -16.348 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.594 23.142 -14.042 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -6.514 21.742 -14.424 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.846 23.462 -14.401 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -8.188 22.872 -16.117 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -6.727 23.196 -17.029 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.792 20.744 -14.772 1.00 25.00 N ATOM 1145 CA HIS A 80 -3.216 19.496 -15.274 1.00 25.00 C ATOM 1146 C HIS A 80 -3.937 18.382 -14.546 1.00 25.00 C ATOM 1147 O HIS A 80 -4.513 18.623 -13.515 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.712 19.511 -14.915 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.991 20.715 -15.493 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.834 21.045 -16.864 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.386 21.704 -14.831 1.00 25.00 C ATOM 1152 CE1 HIS A 80 -0.043 22.070 -16.963 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.180 22.537 -15.735 1.00 25.00 N ATOM 0 H HIS A 80 -3.869 20.795 -13.756 1.00 25.00 H new ATOM 0 HA HIS A 80 -3.321 19.367 -16.351 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.600 19.510 -13.831 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.244 18.599 -15.285 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.354 21.820 -13.758 1.00 25.00 H new ATOM 0 HE1 HIS A 80 0.363 22.473 -17.879 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.696 23.388 -15.512 1.00 25.00 H new ATOM 1161 N THR A 81 -3.947 17.194 -15.149 1.00 25.00 N ATOM 1162 CA THR A 81 -4.739 16.067 -14.657 1.00 25.00 C ATOM 1163 C THR A 81 -3.803 15.397 -13.706 1.00 25.00 C ATOM 1164 O THR A 81 -2.830 14.764 -14.130 1.00 25.00 O ATOM 1165 CB THR A 81 -5.204 15.178 -15.874 1.00 25.00 C ATOM 1166 OG1 THR A 81 -5.986 15.943 -16.773 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.099 14.031 -15.494 1.00 25.00 C ATOM 0 H THR A 81 -3.408 16.986 -15.990 1.00 25.00 H new ATOM 0 HA THR A 81 -5.671 16.325 -14.154 1.00 25.00 H new ATOM 0 HB THR A 81 -4.272 14.805 -16.300 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.267 15.379 -17.524 1.00 25.00 H new ATOM 0 HG21 THR A 81 -6.373 13.471 -16.388 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.574 13.374 -14.801 1.00 25.00 H new ATOM 0 HG23 THR A 81 -7.000 14.415 -15.017 1.00 25.00 H new ATOM 1175 N PHE A 82 -4.040 15.504 -12.397 1.00 25.00 N ATOM 1176 CA PHE A 82 -3.196 14.802 -11.363 1.00 25.00 C ATOM 1177 C PHE A 82 -3.888 13.454 -11.077 1.00 25.00 C ATOM 1178 O PHE A 82 -5.010 13.370 -10.501 1.00 25.00 O ATOM 1179 CB PHE A 82 -3.069 15.633 -10.108 1.00 25.00 C ATOM 1180 CG PHE A 82 -2.098 16.788 -10.210 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -1.189 16.901 -9.132 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.129 17.785 -11.211 1.00 50.00 C ATOM 1183 CE1 PHE A 82 -0.285 18.017 -9.110 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.337 18.934 -11.132 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.348 19.017 -10.081 1.00 25.00 C ATOM 0 H PHE A 82 -4.799 16.061 -12.005 1.00 25.00 H new ATOM 0 HA PHE A 82 -2.180 14.647 -11.726 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -4.052 16.025 -9.847 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.757 14.985 -9.289 1.00 25.00 H new ATOM 0 HD1 PHE A 82 -1.175 16.164 -8.343 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.783 17.656 -12.061 1.00 50.00 H new ATOM 0 HE1 PHE A 82 0.457 18.083 -8.328 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.461 19.741 -11.839 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.339 19.849 -10.048 1.00 25.00 H new ATOM 1195 N THR A 83 -3.208 12.370 -11.417 1.00 25.00 N ATOM 1196 CA THR A 83 -3.742 11.012 -11.270 1.00 25.00 C ATOM 1197 C THR A 83 -2.688 10.151 -10.619 1.00 25.00 C ATOM 1198 O THR A 83 -1.518 10.058 -11.095 1.00 25.00 O ATOM 1199 CB THR A 83 -3.993 10.457 -12.681 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.735 11.440 -13.417 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.744 9.136 -12.621 1.00 25.00 C ATOM 0 H THR A 83 -2.265 12.401 -11.805 1.00 25.00 H new ATOM 0 HA THR A 83 -4.655 11.018 -10.674 1.00 25.00 H new ATOM 0 HB THR A 83 -3.044 10.258 -13.179 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.907 11.109 -14.323 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.909 8.765 -13.633 1.00 25.00 H new ATOM 0 HG22 THR A 83 -4.158 8.409 -12.059 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.705 9.286 -12.128 1.00 25.00 H new ATOM 1209 N TRP A 84 -3.111 9.421 -9.627 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.315 8.444 -9.000 1.00 25.00 C ATOM 1211 C TRP A 84 -3.007 7.133 -9.230 1.00 25.00 C ATOM 1212 O TRP A 84 -4.153 7.101 -9.667 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.291 8.602 -7.481 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.831 9.956 -7.134 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -1.038 10.825 -7.883 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -2.067 10.717 -5.909 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.844 12.024 -7.270 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -1.513 12.022 -6.097 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -2.898 10.504 -4.783 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -1.633 13.017 -5.077 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -3.096 11.485 -3.842 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -2.461 12.728 -4.008 1.00 25.00 C ATOM 0 H TRP A 84 -4.048 9.503 -9.232 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.302 8.520 -9.396 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.286 8.429 -7.071 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.630 7.857 -7.038 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.622 10.573 -8.847 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.286 12.796 -7.636 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -3.387 9.549 -4.661 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -1.100 13.954 -5.139 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -3.730 11.304 -2.987 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -2.628 13.494 -3.265 1.00 25.00 H new ATOM 1233 N THR A 85 -2.375 5.992 -8.917 1.00 25.00 N ATOM 1234 CA THR A 85 -3.037 4.650 -8.931 1.00 25.00 C ATOM 1235 C THR A 85 -2.455 3.929 -7.673 1.00 25.00 C ATOM 1236 O THR A 85 -1.367 4.173 -7.247 1.00 25.00 O ATOM 1237 CB THR A 85 -2.839 3.893 -10.249 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.644 2.706 -10.227 1.00 25.00 O ATOM 1239 CG2 THR A 85 -1.383 3.554 -10.456 1.00 25.00 C ATOM 0 H THR A 85 -1.392 5.958 -8.646 1.00 25.00 H new ATOM 0 HA THR A 85 -4.124 4.717 -8.879 1.00 25.00 H new ATOM 0 HB THR A 85 -3.149 4.523 -11.082 1.00 25.00 H new ATOM 0 HG1 THR A 85 -3.526 2.215 -11.067 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.265 3.017 -11.397 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.796 4.472 -10.486 1.00 25.00 H new ATOM 0 HG23 THR A 85 -1.035 2.928 -9.635 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.310 3.104 -7.087 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.998 2.297 -5.888 1.00 25.00 C ATOM 1249 C TYR A 86 -3.178 0.759 -6.120 1.00 25.00 C ATOM 1250 O TYR A 86 -4.010 0.336 -6.963 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.754 2.761 -4.680 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.420 4.135 -4.168 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -4.161 5.266 -4.541 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -2.335 4.333 -3.278 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -3.758 6.576 -4.055 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -2.020 5.594 -2.777 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.725 6.714 -3.224 1.00 25.00 C ATOM 1258 OH TYR A 86 -2.248 7.945 -2.814 1.00 25.00 O ATOM 0 H TYR A 86 -4.261 2.965 -7.428 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.938 2.459 -5.693 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.819 2.732 -4.912 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.584 2.046 -3.875 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -5.023 5.165 -5.183 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.737 3.484 -2.981 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -4.305 7.452 -4.373 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -1.233 5.705 -2.045 1.00 25.00 H new ATOM 0 HH TYR A 86 -2.959 8.433 -2.349 1.00 25.00 H new ATOM 1268 N THR A 87 -2.325 0.008 -5.423 1.00 25.00 N ATOM 1269 CA THR A 87 -2.294 -1.461 -5.602 1.00 25.00 C ATOM 1270 C THR A 87 -3.626 -2.160 -5.241 1.00 25.00 C ATOM 1271 O THR A 87 -3.902 -3.291 -5.723 1.00 25.00 O ATOM 1272 CB THR A 87 -1.004 -2.021 -4.771 1.00 25.00 C ATOM 1273 OG1 THR A 87 -0.728 -3.388 -5.163 1.00 25.00 O ATOM 1274 CG2 THR A 87 -1.202 -2.061 -3.302 1.00 25.00 C ATOM 0 H THR A 87 -1.658 0.372 -4.743 1.00 25.00 H new ATOM 0 HA THR A 87 -2.181 -1.703 -6.659 1.00 25.00 H new ATOM 0 HB THR A 87 -0.195 -1.328 -5.004 1.00 25.00 H new ATOM 0 HG1 THR A 87 0.047 -3.721 -4.664 1.00 25.00 H new ATOM 0 HG21 THR A 87 -0.301 -2.444 -2.824 1.00 25.00 H new ATOM 0 HG22 THR A 87 -1.408 -1.055 -2.935 1.00 25.00 H new ATOM 0 HG23 THR A 87 -2.043 -2.713 -3.066 1.00 25.00 H new ATOM 1282 N ALA A 88 -4.470 -1.581 -4.416 1.00 25.00 N ATOM 1283 CA ALA A 88 -5.790 -2.052 -4.048 1.00 25.00 C ATOM 1284 C ALA A 88 -6.512 -0.802 -3.652 1.00 25.00 C ATOM 1285 O ALA A 88 -5.818 0.150 -3.293 1.00 25.00 O ATOM 1286 CB ALA A 88 -5.768 -3.057 -2.840 1.00 25.00 C ATOM 0 H ALA A 88 -4.236 -0.704 -3.950 1.00 25.00 H new ATOM 0 HA ALA A 88 -6.255 -2.600 -4.868 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -6.786 -3.374 -2.612 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -5.167 -3.928 -3.102 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -5.336 -2.567 -1.967 1.00 25.00 H new ATOM 1292 N PRO A 89 -7.856 -0.736 -3.680 1.00 25.00 N ATOM 1293 CA PRO A 89 -8.394 0.374 -2.944 1.00 25.00 C ATOM 1294 C PRO A 89 -8.099 0.261 -1.459 1.00 25.00 C ATOM 1295 O PRO A 89 -7.729 -0.813 -1.022 1.00 25.00 O ATOM 1296 CB PRO A 89 -9.945 0.291 -3.254 1.00 25.00 C ATOM 1297 CG PRO A 89 -10.132 -1.148 -3.411 1.00 25.00 C ATOM 1298 CD PRO A 89 -8.923 -1.644 -4.121 1.00 25.00 C ATOM 0 HA PRO A 89 -7.958 1.331 -3.231 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -10.548 0.697 -2.442 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -10.213 0.841 -4.156 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -10.243 -1.635 -2.442 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -11.035 -1.364 -3.981 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -8.701 -2.678 -3.858 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -9.054 -1.611 -5.203 1.00 25.00 H new ATOM 1306 N HIS A 90 -8.305 1.371 -0.750 1.00 25.00 N ATOM 1307 CA HIS A 90 -8.066 1.441 0.709 1.00 25.00 C ATOM 1308 C HIS A 90 -9.333 2.022 1.314 1.00 25.00 C ATOM 1309 O HIS A 90 -9.841 2.958 0.768 1.00 25.00 O ATOM 1310 CB HIS A 90 -6.761 2.231 1.021 1.00 0.00 C ATOM 1311 CG HIS A 90 -5.568 1.729 0.326 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.792 0.640 0.539 1.00 0.00 N flip ATOM 1313 CD2 HIS A 90 -5.004 2.333 -0.731 1.00 0.00 C flip ATOM 1314 CE1 HIS A 90 -3.704 0.586 -0.316 1.00 0.00 C flip ATOM 1315 NE2 HIS A 90 -3.951 1.629 -1.114 1.00 0.00 N flip ATOM 0 H HIS A 90 -8.639 2.244 -1.157 1.00 25.00 H new ATOM 0 HA HIS A 90 -7.884 0.465 1.158 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -6.910 3.277 0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.580 2.201 2.096 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.987 -0.064 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.352 3.245 -1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.879 -0.111 -0.333 1.00 0.00 H new ATOM 1323 N ASN A 91 -9.625 1.575 2.516 1.00 25.00 N ATOM 1324 CA ASN A 91 -10.623 2.265 3.323 1.00 25.00 C ATOM 1325 C ASN A 91 -10.066 3.631 3.615 1.00 25.00 C ATOM 1326 O ASN A 91 -9.005 3.735 4.135 1.00 25.00 O ATOM 1327 CB ASN A 91 -10.845 1.514 4.625 1.00 25.00 C ATOM 1328 CG ASN A 91 -12.079 1.950 5.363 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -12.603 3.040 5.164 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -12.525 1.118 6.254 1.00 25.00 N ATOM 0 H ASN A 91 -9.201 0.757 2.953 1.00 25.00 H new ATOM 0 HA ASN A 91 -11.578 2.327 2.801 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -10.916 0.447 4.413 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -9.977 1.654 5.269 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -13.339 1.363 6.818 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -12.061 0.220 6.390 1.00 25.00 H new ATOM 1337 N THR A 92 -10.815 4.624 3.295 1.00 25.00 N ATOM 1338 CA THR A 92 -10.409 6.041 3.353 1.00 25.00 C ATOM 1339 C THR A 92 -11.448 6.846 4.112 1.00 25.00 C ATOM 1340 O THR A 92 -12.641 6.584 3.939 1.00 25.00 O ATOM 1341 CB THR A 92 -10.302 6.631 1.937 1.00 25.00 C ATOM 1342 OG1 THR A 92 -9.415 5.804 1.175 1.00 25.00 O ATOM 1343 CG2 THR A 92 -9.765 8.045 1.910 1.00 25.00 C ATOM 0 H THR A 92 -11.773 4.500 2.968 1.00 25.00 H new ATOM 0 HA THR A 92 -9.442 6.092 3.853 1.00 25.00 H new ATOM 0 HB THR A 92 -11.310 6.660 1.524 1.00 25.00 H new ATOM 0 HG1 THR A 92 -9.826 4.926 1.035 1.00 25.00 H new ATOM 0 HG21 THR A 92 -9.717 8.396 0.879 1.00 25.00 H new ATOM 0 HG22 THR A 92 -10.424 8.696 2.485 1.00 25.00 H new ATOM 0 HG23 THR A 92 -8.766 8.063 2.347 1.00 25.00 H new ATOM 1351 N SER A 93 -11.035 7.849 4.855 1.00 25.00 N ATOM 1352 CA SER A 93 -11.964 8.822 5.481 1.00 25.00 C ATOM 1353 C SER A 93 -11.836 10.197 4.626 1.00 25.00 C ATOM 1354 O SER A 93 -12.865 10.748 4.247 1.00 25.00 O ATOM 1355 CB SER A 93 -11.642 9.009 6.954 1.00 25.00 C ATOM 1356 OG SER A 93 -10.332 9.441 7.238 1.00 25.00 O ATOM 0 H SER A 93 -10.051 8.031 5.055 1.00 25.00 H new ATOM 0 HA SER A 93 -12.995 8.469 5.457 1.00 25.00 H new ATOM 0 HB2 SER A 93 -12.343 9.731 7.372 1.00 25.00 H new ATOM 0 HB3 SER A 93 -11.814 8.064 7.468 1.00 25.00 H new ATOM 0 HG SER A 93 -10.221 9.534 8.207 1.00 25.00 H new ATOM 1362 N GLN A 94 -10.638 10.648 4.385 1.00 25.00 N ATOM 1363 CA GLN A 94 -10.371 11.812 3.603 1.00 25.00 C ATOM 1364 C GLN A 94 -8.985 11.566 3.024 1.00 25.00 C ATOM 1365 O GLN A 94 -8.162 10.911 3.624 1.00 25.00 O ATOM 1366 CB GLN A 94 -10.453 13.179 4.449 1.00 25.00 C ATOM 1367 CG GLN A 94 -10.255 14.533 3.608 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.223 15.673 4.577 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.203 15.934 5.244 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -11.301 16.408 4.658 1.00 25.00 N ATOM 0 H GLN A 94 -9.795 10.197 4.741 1.00 25.00 H new ATOM 0 HA GLN A 94 -11.124 11.955 2.828 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -11.423 13.220 4.945 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -9.696 13.146 5.232 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.330 14.494 3.034 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -11.068 14.661 2.894 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -12.122 16.172 4.101 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -11.321 17.217 5.278 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.704 12.306 1.963 1.00 25.00 N ATOM 1380 CA TRP A 95 -7.362 12.535 1.502 1.00 25.00 C ATOM 1381 C TRP A 95 -7.212 13.946 0.977 1.00 25.00 C ATOM 1382 O TRP A 95 -8.131 14.561 0.440 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.859 11.476 0.503 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.662 11.270 -0.731 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.863 10.613 -0.860 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.338 11.735 -2.040 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -9.297 10.613 -2.142 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.352 11.257 -2.943 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -6.265 12.503 -2.562 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.303 11.501 -4.311 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -6.222 12.720 -3.956 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -7.288 12.308 -4.827 1.00 25.00 C ATOM 0 H TRP A 95 -9.417 12.766 1.397 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.710 12.425 2.368 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.846 11.747 0.205 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.793 10.522 1.026 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -9.394 10.154 -0.040 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -10.174 10.208 -2.470 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.504 12.909 -1.912 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.044 11.070 -4.968 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -5.360 13.212 -4.382 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -7.303 12.617 -5.862 1.00 25.00 H new ATOM 1403 N HIS A 96 -6.055 14.549 1.273 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.856 15.923 0.901 1.00 25.00 C ATOM 1405 C HIS A 96 -4.391 16.232 0.456 1.00 25.00 C ATOM 1406 O HIS A 96 -3.471 15.514 0.765 1.00 25.00 O ATOM 1407 CB HIS A 96 -6.345 16.841 1.991 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.790 16.621 3.352 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -4.733 15.919 3.788 1.00 25.00 N flip ATOM 1410 CD2 HIS A 96 -6.442 17.065 4.530 1.00 25.00 C flip ATOM 1411 CE1 HIS A 96 -4.670 16.017 5.167 1.00 25.00 C flip ATOM 1412 NE2 HIS A 96 -5.657 16.768 5.556 1.00 25.00 N flip ATOM 0 H HIS A 96 -5.272 14.108 1.756 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.460 16.112 0.014 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -6.124 17.867 1.696 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -7.430 16.753 2.048 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -7.403 17.556 4.582 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -3.933 15.553 5.805 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -5.806 17.084 6.514 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.251 17.373 -0.207 1.00 25.00 N ATOM 1421 CA TYR A 97 -2.951 17.911 -0.601 1.00 25.00 C ATOM 1422 C TYR A 97 -2.711 19.427 -0.407 1.00 25.00 C ATOM 1423 O TYR A 97 -3.657 20.253 -0.382 1.00 25.00 O ATOM 1424 CB TYR A 97 -2.817 17.433 -2.053 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.125 17.344 -2.848 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.597 18.428 -3.401 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -4.857 16.135 -2.976 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -5.844 18.422 -4.140 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -6.065 16.115 -3.690 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.524 17.259 -4.223 1.00 25.00 C ATOM 1431 OH TYR A 97 -7.723 17.310 -4.905 1.00 25.00 O ATOM 0 H TYR A 97 -5.039 17.956 -0.489 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.168 17.548 0.065 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.140 18.108 -2.577 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.348 16.449 -2.050 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.045 19.352 -3.306 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -4.484 15.228 -2.523 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -6.217 19.320 -4.610 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -6.617 15.194 -3.809 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.135 16.421 -4.909 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.466 19.746 -0.160 1.00 25.00 N ATOM 1442 CA TYR A 98 -0.978 21.094 0.192 1.00 25.00 C ATOM 1443 C TYR A 98 0.159 21.546 -0.674 1.00 25.00 C ATOM 1444 O TYR A 98 0.838 20.775 -1.315 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.455 21.021 1.596 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.355 20.490 2.672 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.387 19.132 2.934 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.009 21.351 3.562 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.003 18.590 4.118 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.721 20.780 4.741 1.00 25.00 C ATOM 1451 CZ TYR A 98 -2.680 19.409 5.045 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.199 18.927 6.207 1.00 25.00 O ATOM 0 H TYR A 98 -0.716 19.056 -0.195 1.00 25.00 H new ATOM 0 HA TYR A 98 -1.803 21.795 0.065 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.444 20.404 1.582 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.148 22.026 1.887 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -0.934 18.454 2.226 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -1.998 22.418 3.396 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -1.945 17.527 4.301 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.286 21.441 5.381 1.00 25.00 H new ATOM 0 HH TYR A 98 -3.624 19.657 6.703 1.00 25.00 H new ATOM 1462 N ILE A 99 0.402 22.826 -0.603 1.00 25.00 N ATOM 1463 CA ILE A 99 1.553 23.485 -1.255 1.00 25.00 C ATOM 1464 C ILE A 99 2.302 24.311 -0.230 1.00 25.00 C ATOM 1465 O ILE A 99 1.690 24.864 0.728 1.00 25.00 O ATOM 1466 CB ILE A 99 1.095 24.311 -2.471 1.00 25.00 C ATOM 1467 CG1 ILE A 99 0.251 25.534 -2.099 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.438 23.359 -3.512 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.080 26.436 -3.286 1.00 25.00 C ATOM 0 H ILE A 99 -0.193 23.473 -0.085 1.00 25.00 H new ATOM 0 HA ILE A 99 2.241 22.733 -1.643 1.00 25.00 H new ATOM 0 HB ILE A 99 1.968 24.763 -2.941 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -0.678 25.197 -1.640 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.784 26.117 -1.348 1.00 25.00 H new ATOM 0 HG21 ILE A 99 0.111 23.936 -4.377 1.00 25.00 H new ATOM 0 HG22 ILE A 99 1.164 22.610 -3.829 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.421 22.863 -3.060 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -0.679 27.280 -2.945 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.844 26.804 -3.732 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.641 25.869 -4.029 1.00 25.00 H new ATOM 1481 N THR A 100 3.594 24.491 -0.456 1.00 25.00 N ATOM 1482 CA THR A 100 4.377 25.553 0.241 1.00 25.00 C ATOM 1483 C THR A 100 4.321 26.729 -0.751 1.00 25.00 C ATOM 1484 O THR A 100 3.958 26.580 -1.918 1.00 25.00 O ATOM 1485 CB THR A 100 5.771 25.134 0.510 1.00 25.00 C ATOM 1486 OG1 THR A 100 6.373 24.799 -0.752 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.867 23.897 1.305 1.00 25.00 C ATOM 0 H THR A 100 4.139 23.929 -1.110 1.00 25.00 H new ATOM 0 HA THR A 100 3.975 25.797 1.224 1.00 25.00 H new ATOM 0 HB THR A 100 6.246 25.953 1.050 1.00 25.00 H new ATOM 0 HG1 THR A 100 7.296 25.128 -0.772 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.916 23.648 1.465 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.378 24.045 2.268 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.378 23.082 0.771 1.00 25.00 H new ATOM 1495 N LYS A 101 4.643 27.928 -0.314 1.00 25.00 N ATOM 1496 CA LYS A 101 4.266 29.128 -1.103 1.00 25.00 C ATOM 1497 C LYS A 101 5.145 29.287 -2.379 1.00 25.00 C ATOM 1498 O LYS A 101 6.328 29.236 -2.334 1.00 25.00 O ATOM 1499 CB LYS A 101 4.475 30.356 -0.162 1.00 25.00 C ATOM 1500 CG LYS A 101 3.918 31.696 -0.641 1.00 25.00 C ATOM 1501 CD LYS A 101 2.331 31.864 -0.652 1.00 25.00 C ATOM 1502 CE LYS A 101 1.791 31.863 0.776 1.00 25.00 C ATOM 1503 NZ LYS A 101 0.309 31.996 0.592 1.00 25.00 N1+ ATOM 0 H LYS A 101 5.148 28.117 0.552 1.00 25.00 H new ATOM 0 HA LYS A 101 3.234 29.041 -1.444 1.00 25.00 H new ATOM 0 HB2 LYS A 101 4.022 30.126 0.802 1.00 25.00 H new ATOM 0 HB3 LYS A 101 5.545 30.475 0.008 1.00 25.00 H new ATOM 0 HG2 LYS A 101 4.336 32.481 -0.011 1.00 25.00 H new ATOM 0 HG3 LYS A 101 4.283 31.871 -1.653 1.00 25.00 H new ATOM 0 HD2 LYS A 101 2.060 32.795 -1.150 1.00 25.00 H new ATOM 0 HD3 LYS A 101 1.876 31.053 -1.221 1.00 25.00 H new ATOM 0 HE2 LYS A 101 2.049 30.944 1.302 1.00 25.00 H new ATOM 0 HE3 LYS A 101 2.198 32.689 1.359 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -0.157 32.005 1.522 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 0.100 32.883 0.091 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -0.045 31.192 0.035 1.00 25.00 H new ATOM 1517 N LYS A 102 4.560 29.610 -3.512 1.00 25.00 N ATOM 1518 CA LYS A 102 5.437 29.967 -4.658 1.00 25.00 C ATOM 1519 C LYS A 102 6.053 31.320 -4.388 1.00 25.00 C ATOM 1520 O LYS A 102 5.260 32.239 -4.169 1.00 25.00 O ATOM 1521 CB LYS A 102 4.667 29.919 -5.990 1.00 25.00 C ATOM 1522 CG LYS A 102 5.584 29.978 -7.238 1.00 25.00 C ATOM 1523 CD LYS A 102 4.661 29.956 -8.457 1.00 25.00 C ATOM 1524 CE LYS A 102 5.289 29.826 -9.857 1.00 25.00 C ATOM 1525 NZ LYS A 102 4.231 29.651 -10.904 1.00 25.00 N1+ ATOM 0 H LYS A 102 3.555 29.640 -3.683 1.00 25.00 H new ATOM 0 HA LYS A 102 6.238 29.234 -4.757 1.00 25.00 H new ATOM 0 HB2 LYS A 102 4.076 29.004 -6.026 1.00 25.00 H new ATOM 0 HB3 LYS A 102 3.965 30.752 -6.025 1.00 25.00 H new ATOM 0 HG2 LYS A 102 6.193 30.882 -7.229 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.270 29.131 -7.256 1.00 25.00 H new ATOM 0 HD2 LYS A 102 3.964 29.128 -8.329 1.00 25.00 H new ATOM 0 HD3 LYS A 102 4.072 30.873 -8.443 1.00 25.00 H new ATOM 0 HE2 LYS A 102 5.881 30.714 -10.078 1.00 25.00 H new ATOM 0 HE3 LYS A 102 5.970 28.975 -9.877 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 4.615 29.917 -11.833 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 3.926 28.657 -10.927 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 3.417 30.257 -10.679 1.00 25.00 H new ATOM 1539 N GLY A 103 7.336 31.446 -4.212 1.00 25.00 N ATOM 1540 CA GLY A 103 7.873 32.720 -3.791 1.00 25.00 C ATOM 1541 C GLY A 103 7.935 32.794 -2.265 1.00 25.00 C ATOM 1542 O GLY A 103 7.476 33.777 -1.592 1.00 25.00 O ATOM 0 H GLY A 103 8.022 30.704 -4.348 1.00 25.00 H new ATOM 0 HA2 GLY A 103 8.870 32.858 -4.209 1.00 25.00 H new ATOM 0 HA3 GLY A 103 7.252 33.529 -4.176 1.00 25.00 H new ATOM 1546 N TRP A 104 8.483 31.725 -1.644 1.00 25.00 N ATOM 1547 CA TRP A 104 8.428 31.546 -0.210 1.00 25.00 C ATOM 1548 C TRP A 104 9.217 32.764 0.447 1.00 25.00 C ATOM 1549 O TRP A 104 10.014 33.379 -0.221 1.00 25.00 O ATOM 1550 CB TRP A 104 9.093 30.231 0.257 1.00 25.00 C ATOM 1551 CG TRP A 104 10.623 30.146 0.068 1.00 25.00 C ATOM 1552 CD1 TRP A 104 11.432 30.624 -0.917 1.00 25.00 C ATOM 1553 CD2 TRP A 104 11.536 29.504 1.006 1.00 25.00 C ATOM 1554 NE1 TRP A 104 12.723 30.360 -0.695 1.00 25.00 N ATOM 1555 CE2 TRP A 104 12.847 29.621 0.459 1.00 25.00 C ATOM 1556 CE3 TRP A 104 11.362 28.836 2.210 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 14.002 29.159 1.150 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 12.563 28.350 2.908 1.00 25.00 C ATOM 1559 CH2 TRP A 104 13.848 28.560 2.361 1.00 25.00 C ATOM 0 H TRP A 104 8.969 30.976 -2.137 1.00 25.00 H new ATOM 0 HA TRP A 104 7.381 31.505 0.091 1.00 25.00 H new ATOM 0 HB2 TRP A 104 8.868 30.088 1.314 1.00 25.00 H new ATOM 0 HB3 TRP A 104 8.633 29.402 -0.282 1.00 25.00 H new ATOM 0 HD1 TRP A 104 11.070 31.158 -1.783 1.00 25.00 H new ATOM 0 HE1 TRP A 104 13.496 30.660 -1.289 1.00 25.00 H new ATOM 0 HE3 TRP A 104 10.376 28.678 2.622 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 14.985 29.282 0.720 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 12.461 27.828 3.848 1.00 25.00 H new ATOM 0 HH2 TRP A 104 14.720 28.241 2.912 1.00 25.00 H new ATOM 1570 N ASP A 105 8.939 32.978 1.716 1.00 25.00 N ATOM 1571 CA ASP A 105 9.658 34.007 2.505 1.00 25.00 C ATOM 1572 C ASP A 105 10.076 33.347 3.843 1.00 25.00 C ATOM 1573 O ASP A 105 9.232 33.092 4.764 1.00 25.00 O ATOM 1574 CB ASP A 105 8.644 35.144 2.835 1.00 25.00 C ATOM 1575 CG ASP A 105 9.289 36.238 3.660 1.00 25.00 C ATOM 1576 OD1 ASP A 105 8.587 37.269 3.959 1.00 25.00 O ATOM 1577 OD2 ASP A 105 10.407 36.048 4.062 1.00 25.00 O1- ATOM 0 H ASP A 105 8.228 32.466 2.238 1.00 25.00 H new ATOM 0 HA ASP A 105 10.520 34.396 1.964 1.00 25.00 H new ATOM 0 HB2 ASP A 105 8.255 35.566 1.909 1.00 25.00 H new ATOM 0 HB3 ASP A 105 7.795 34.730 3.378 1.00 25.00 H new ATOM 1582 N PRO A 106 11.400 33.020 3.985 1.00 25.00 N ATOM 1583 CA PRO A 106 11.820 32.288 5.188 1.00 25.00 C ATOM 1584 C PRO A 106 11.853 33.057 6.470 1.00 25.00 C ATOM 1585 O PRO A 106 11.887 32.503 7.569 1.00 25.00 O ATOM 1586 CB PRO A 106 13.182 31.770 4.834 1.00 25.00 C ATOM 1587 CG PRO A 106 13.719 32.783 3.826 1.00 25.00 C ATOM 1588 CD PRO A 106 12.506 33.178 3.027 1.00 25.00 C ATOM 0 HA PRO A 106 11.079 31.521 5.415 1.00 25.00 H new ATOM 0 HB2 PRO A 106 13.824 31.704 5.713 1.00 25.00 H new ATOM 0 HB3 PRO A 106 13.128 30.770 4.403 1.00 25.00 H new ATOM 0 HG2 PRO A 106 14.167 33.643 4.324 1.00 25.00 H new ATOM 0 HG3 PRO A 106 14.490 32.345 3.192 1.00 25.00 H new ATOM 0 HD2 PRO A 106 12.580 34.203 2.664 1.00 25.00 H new ATOM 0 HD3 PRO A 106 12.375 32.540 2.153 1.00 25.00 H new ATOM 1596 N ASP A 107 11.724 34.381 6.338 1.00 25.00 N ATOM 1597 CA ASP A 107 11.619 35.268 7.538 1.00 25.00 C ATOM 1598 C ASP A 107 10.298 35.087 8.352 1.00 25.00 C ATOM 1599 O ASP A 107 10.208 35.591 9.489 1.00 25.00 O ATOM 1600 CB ASP A 107 11.774 36.731 7.053 1.00 25.00 C ATOM 1601 CG ASP A 107 11.748 37.665 8.146 1.00 25.00 C ATOM 1602 OD1 ASP A 107 10.811 38.519 8.078 1.00 75.00 O ATOM 1603 OD2 ASP A 107 12.668 37.668 9.003 1.00 75.00 O1- ATOM 0 H ASP A 107 11.689 34.868 5.443 1.00 25.00 H new ATOM 0 HA ASP A 107 12.411 34.992 8.235 1.00 25.00 H new ATOM 0 HB2 ASP A 107 12.713 36.835 6.509 1.00 25.00 H new ATOM 0 HB3 ASP A 107 10.972 36.968 6.354 1.00 25.00 H new ATOM 1608 N LYS A 108 9.350 34.349 7.783 1.00 25.00 N ATOM 1609 CA LYS A 108 8.002 34.097 8.298 1.00 25.00 C ATOM 1610 C LYS A 108 7.925 32.888 9.194 1.00 25.00 C ATOM 1611 O LYS A 108 8.840 32.089 9.206 1.00 25.00 O ATOM 1612 CB LYS A 108 7.022 33.889 7.133 1.00 25.00 C ATOM 1613 CG LYS A 108 6.734 35.226 6.393 1.00 25.00 C ATOM 1614 CD LYS A 108 5.573 35.165 5.402 1.00 25.00 C ATOM 1615 CE LYS A 108 5.281 36.529 4.779 1.00 25.00 C ATOM 1616 NZ LYS A 108 4.131 36.509 3.765 1.00 25.00 N1+ ATOM 0 H LYS A 108 9.510 33.879 6.892 1.00 25.00 H new ATOM 0 HA LYS A 108 7.737 34.974 8.888 1.00 25.00 H new ATOM 0 HB2 LYS A 108 7.436 33.164 6.432 1.00 25.00 H new ATOM 0 HB3 LYS A 108 6.089 33.471 7.510 1.00 25.00 H new ATOM 0 HG2 LYS A 108 6.523 35.998 7.133 1.00 25.00 H new ATOM 0 HG3 LYS A 108 7.634 35.533 5.860 1.00 25.00 H new ATOM 0 HD2 LYS A 108 5.806 34.449 4.614 1.00 25.00 H new ATOM 0 HD3 LYS A 108 4.681 34.800 5.911 1.00 25.00 H new ATOM 0 HE2 LYS A 108 5.042 37.237 5.572 1.00 25.00 H new ATOM 0 HE3 LYS A 108 6.182 36.894 4.286 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 3.988 37.466 3.383 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 4.364 35.857 2.989 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 3.260 36.190 4.235 1.00 25.00 H new ATOM 1630 N PRO A 109 6.800 32.587 9.801 1.00 25.00 N ATOM 1631 CA PRO A 109 5.909 31.404 9.814 1.00 25.00 C ATOM 1632 C PRO A 109 5.976 30.400 8.704 1.00 25.00 C ATOM 1633 O PRO A 109 4.987 29.897 8.198 1.00 25.00 O ATOM 1634 CB PRO A 109 4.543 32.021 9.945 1.00 25.00 C ATOM 1635 CG PRO A 109 4.770 33.009 10.926 1.00 25.00 C ATOM 1636 CD PRO A 109 6.196 33.539 10.719 1.00 25.00 C ATOM 0 HA PRO A 109 6.228 30.747 10.623 1.00 25.00 H new ATOM 0 HB2 PRO A 109 4.195 32.449 9.005 1.00 25.00 H new ATOM 0 HB3 PRO A 109 3.794 31.295 10.261 1.00 25.00 H new ATOM 0 HG2 PRO A 109 4.043 33.816 10.834 1.00 25.00 H new ATOM 0 HG3 PRO A 109 4.657 32.591 11.926 1.00 25.00 H new ATOM 0 HD2 PRO A 109 6.190 34.546 10.302 1.00 25.00 H new ATOM 0 HD3 PRO A 109 6.744 33.587 11.660 1.00 25.00 H new ATOM 1644 N LEU A 110 7.195 30.182 8.257 1.00 25.00 N ATOM 1645 CA LEU A 110 7.655 29.256 7.234 1.00 25.00 C ATOM 1646 C LEU A 110 7.098 27.830 7.473 1.00 25.00 C ATOM 1647 O LEU A 110 6.726 27.131 6.503 1.00 25.00 O ATOM 1648 CB LEU A 110 9.203 29.226 7.187 1.00 25.00 C ATOM 1649 CG LEU A 110 10.094 28.783 6.051 1.00 25.00 C ATOM 1650 CD1 LEU A 110 11.505 28.825 6.604 1.00 50.00 C ATOM 1651 CD2 LEU A 110 9.841 27.441 5.359 1.00 50.00 C ATOM 0 H LEU A 110 7.979 30.708 8.644 1.00 25.00 H new ATOM 0 HA LEU A 110 7.279 29.608 6.273 1.00 25.00 H new ATOM 0 HB2 LEU A 110 9.513 30.247 7.408 1.00 25.00 H new ATOM 0 HB3 LEU A 110 9.500 28.611 8.037 1.00 25.00 H new ATOM 0 HG LEU A 110 9.878 29.468 5.231 1.00 25.00 H new ATOM 0 HD11 LEU A 110 12.208 28.514 5.831 1.00 50.00 H new ATOM 0 HD12 LEU A 110 11.741 29.840 6.922 1.00 50.00 H new ATOM 0 HD13 LEU A 110 11.582 28.150 7.457 1.00 50.00 H new ATOM 0 HD21 LEU A 110 10.579 27.294 4.570 1.00 50.00 H new ATOM 0 HD22 LEU A 110 9.923 26.635 6.088 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.841 27.438 4.926 1.00 50.00 H new ATOM 1663 N LYS A 111 6.953 27.368 8.725 1.00 25.00 N ATOM 1664 CA LYS A 111 6.374 25.997 8.905 1.00 25.00 C ATOM 1665 C LYS A 111 4.844 26.052 8.963 1.00 25.00 C ATOM 1666 O LYS A 111 4.173 25.003 9.028 1.00 25.00 O ATOM 1667 CB LYS A 111 6.931 25.207 10.095 1.00 25.00 C ATOM 1668 CG LYS A 111 6.604 25.713 11.536 1.00 25.00 C ATOM 1669 CD LYS A 111 7.228 24.889 12.604 1.00 25.00 C ATOM 1670 CE LYS A 111 8.672 25.351 12.739 1.00 25.00 C ATOM 1671 NZ LYS A 111 9.296 24.519 13.806 1.00 25.00 N1+ ATOM 0 H LYS A 111 7.202 27.867 9.579 1.00 25.00 H new ATOM 0 HA LYS A 111 6.691 25.443 8.021 1.00 25.00 H new ATOM 0 HB2 LYS A 111 6.570 24.182 10.012 1.00 25.00 H new ATOM 0 HB3 LYS A 111 8.016 25.172 9.993 1.00 25.00 H new ATOM 0 HG2 LYS A 111 6.943 26.744 11.637 1.00 25.00 H new ATOM 0 HG3 LYS A 111 5.523 25.718 11.675 1.00 25.00 H new ATOM 0 HD2 LYS A 111 6.695 25.012 13.547 1.00 25.00 H new ATOM 0 HD3 LYS A 111 7.185 23.830 12.349 1.00 25.00 H new ATOM 0 HE2 LYS A 111 9.205 25.232 11.796 1.00 25.00 H new ATOM 0 HE3 LYS A 111 8.716 26.409 12.999 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 10.289 24.803 13.932 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 8.781 24.656 14.699 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 9.255 23.516 13.533 1.00 25.00 H new ATOM 1685 N ARG A 112 4.269 27.272 8.969 1.00 25.00 N ATOM 1686 CA ARG A 112 2.793 27.425 9.055 1.00 25.00 C ATOM 1687 C ARG A 112 2.159 28.333 8.044 1.00 25.00 C ATOM 1688 O ARG A 112 1.541 27.821 7.119 1.00 25.00 O ATOM 1689 CB ARG A 112 2.466 27.978 10.467 1.00 25.00 C ATOM 1690 CG ARG A 112 2.698 27.116 11.685 1.00 25.00 C ATOM 1691 CD ARG A 112 2.240 27.859 12.951 1.00 25.00 C ATOM 1692 NE ARG A 112 2.473 27.046 14.157 1.00 25.00 N ATOM 1693 CZ ARG A 112 2.054 27.310 15.399 1.00 25.00 C ATOM 1694 NH1 ARG A 112 1.265 28.253 15.770 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 2.391 26.415 16.277 1.00 25.00 N ATOM 0 H ARG A 112 4.786 28.150 8.917 1.00 25.00 H new ATOM 0 HA ARG A 112 2.380 26.437 8.850 1.00 25.00 H new ATOM 0 HB2 ARG A 112 3.046 28.891 10.600 1.00 25.00 H new ATOM 0 HB3 ARG A 112 1.414 28.265 10.468 1.00 25.00 H new ATOM 0 HG2 ARG A 112 2.151 26.178 11.586 1.00 25.00 H new ATOM 0 HG3 ARG A 112 3.755 26.862 11.765 1.00 25.00 H new ATOM 0 HD2 ARG A 112 2.777 28.804 13.036 1.00 25.00 H new ATOM 0 HD3 ARG A 112 1.180 28.101 12.871 1.00 25.00 H new ATOM 0 HE ARG A 112 3.012 26.189 14.031 1.00 25.00 H new ATOM 0 HH11 ARG A 112 0.886 28.902 15.080 1.00 25.00 H new ATOM 0 HH12 ARG A 112 1.017 28.353 16.754 1.00 25.00 H new ATOM 0 HH21 ARG A 112 2.930 25.598 15.991 1.00 25.00 H new ATOM 0 HH22 ARG A 112 2.117 26.529 17.253 1.00 25.00 H new ATOM 1709 N ALA A 113 2.286 29.653 8.079 1.00 25.00 N ATOM 1710 CA ALA A 113 1.583 30.523 7.111 1.00 25.00 C ATOM 1711 C ALA A 113 2.231 30.556 5.687 1.00 25.00 C ATOM 1712 O ALA A 113 1.682 31.206 4.824 1.00 25.00 O ATOM 1713 CB ALA A 113 1.474 31.982 7.613 1.00 25.00 C ATOM 0 H ALA A 113 2.861 30.153 8.757 1.00 25.00 H new ATOM 0 HA ALA A 113 0.595 30.069 7.028 1.00 25.00 H new ATOM 0 HB1 ALA A 113 0.951 32.584 6.870 1.00 25.00 H new ATOM 0 HB2 ALA A 113 0.921 32.003 8.552 1.00 25.00 H new ATOM 0 HB3 ALA A 113 2.473 32.388 7.771 1.00 25.00 H new ATOM 1719 N ASP A 114 3.341 29.843 5.448 1.00 25.00 N ATOM 1720 CA ASP A 114 3.811 29.530 4.093 1.00 25.00 C ATOM 1721 C ASP A 114 2.949 28.397 3.438 1.00 25.00 C ATOM 1722 O ASP A 114 2.881 28.318 2.187 1.00 25.00 O ATOM 1723 CB ASP A 114 5.304 29.081 4.191 1.00 25.00 C ATOM 1724 CG ASP A 114 5.975 28.969 2.816 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.036 27.890 2.190 1.00 25.00 O ATOM 1726 OD2 ASP A 114 6.532 30.053 2.437 1.00 25.00 O1- ATOM 0 H ASP A 114 3.936 29.468 6.187 1.00 25.00 H new ATOM 0 HA ASP A 114 3.716 30.414 3.463 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.855 29.794 4.804 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.358 28.117 4.698 1.00 25.00 H new ATOM 1731 N PHE A 115 2.304 27.573 4.229 1.00 25.00 N ATOM 1732 CA PHE A 115 1.553 26.439 3.617 1.00 25.00 C ATOM 1733 C PHE A 115 0.205 26.953 3.262 1.00 25.00 C ATOM 1734 O PHE A 115 -0.283 27.860 3.930 1.00 25.00 O ATOM 1735 CB PHE A 115 1.489 25.300 4.649 1.00 25.00 C ATOM 1736 CG PHE A 115 2.699 24.502 4.664 1.00 25.00 C ATOM 1737 CD1 PHE A 115 3.749 24.885 5.615 1.00 50.00 C ATOM 1738 CD2 PHE A 115 2.893 23.385 3.846 1.00 50.00 C ATOM 1739 CE1 PHE A 115 4.939 24.084 5.743 1.00 25.00 C ATOM 1740 CE2 PHE A 115 4.045 22.590 3.986 1.00 25.00 C ATOM 1741 CZ PHE A 115 5.022 22.943 4.891 1.00 25.00 C ATOM 0 H PHE A 115 2.266 27.635 5.246 1.00 25.00 H new ATOM 0 HA PHE A 115 2.029 26.048 2.717 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.321 25.720 5.641 1.00 25.00 H new ATOM 0 HB3 PHE A 115 0.636 24.659 4.426 1.00 25.00 H new ATOM 0 HD1 PHE A 115 3.629 25.771 6.221 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.153 23.131 3.101 1.00 50.00 H new ATOM 0 HE1 PHE A 115 5.723 24.333 6.443 1.00 25.00 H new ATOM 0 HE2 PHE A 115 4.164 21.702 3.383 1.00 25.00 H new ATOM 0 HZ PHE A 115 5.901 22.320 4.959 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.427 26.335 2.293 1.00 25.00 N ATOM 1752 CA GLU A 116 -1.848 26.413 2.116 1.00 25.00 C ATOM 1753 C GLU A 116 -2.290 24.957 1.959 1.00 25.00 C ATOM 1754 O GLU A 116 -1.482 24.166 1.456 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.117 27.204 0.845 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.331 28.720 1.026 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.675 29.111 1.462 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.971 28.976 2.647 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -4.545 29.593 0.597 1.00 25.00 O1- ATOM 0 H GLU A 116 0.043 25.756 1.597 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.376 26.902 2.935 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.280 27.054 0.163 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.001 26.787 0.361 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.608 29.089 1.754 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -2.114 29.217 0.081 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.543 24.634 2.207 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.242 23.441 1.708 1.00 25.00 C ATOM 1768 C LEU A 117 -4.789 23.914 0.358 1.00 25.00 C ATOM 1769 O LEU A 117 -5.342 24.982 0.287 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.428 23.157 2.581 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.367 21.968 2.240 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.745 20.670 2.535 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.678 22.091 3.026 1.00 50.00 C ATOM 0 H LEU A 117 -4.142 25.218 2.790 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.604 22.558 1.670 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.057 22.999 3.593 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.040 24.059 2.603 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.566 22.011 1.169 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.438 19.868 2.281 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -4.833 20.561 1.947 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.501 20.616 3.596 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.330 21.253 2.780 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.464 22.083 4.095 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.174 23.025 2.763 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.521 23.140 -0.680 1.00 25.00 N ATOM 1786 CA ILE A 118 -4.899 23.489 -2.058 1.00 25.00 C ATOM 1787 C ILE A 118 -6.114 22.687 -2.392 1.00 25.00 C ATOM 1788 O ILE A 118 -6.870 23.119 -3.257 1.00 25.00 O ATOM 1789 CB ILE A 118 -3.653 23.385 -3.037 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -3.837 24.114 -4.382 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.252 21.900 -3.335 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -4.153 25.625 -4.248 1.00 25.00 C ATOM 0 H ILE A 118 -4.034 22.247 -0.601 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.183 24.534 -2.178 1.00 25.00 H new ATOM 0 HB ILE A 118 -2.857 23.888 -2.488 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -2.929 23.995 -4.974 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -4.644 23.633 -4.936 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.395 21.883 -4.009 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -2.991 21.400 -2.403 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.091 21.383 -3.801 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.267 26.062 -5.240 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -5.077 25.755 -3.685 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.337 26.122 -3.724 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.380 21.571 -1.707 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.633 20.857 -1.886 1.00 25.00 C ATOM 1806 C GLY A 119 -7.700 19.569 -1.095 1.00 25.00 C ATOM 1807 O GLY A 119 -6.713 19.021 -0.683 1.00 25.00 O ATOM 0 H GLY A 119 -5.745 21.150 -1.029 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.458 21.503 -1.587 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.769 20.634 -2.944 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.937 19.073 -0.984 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.181 17.840 -0.246 1.00 25.00 C ATOM 1813 C ALA A 120 -10.356 17.142 -0.961 1.00 25.00 C ATOM 1814 O ALA A 120 -11.218 17.753 -1.535 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.641 18.133 1.133 1.00 25.00 C ATOM 0 H ALA A 120 -9.769 19.501 -1.390 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.269 17.244 -0.206 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.817 17.198 1.664 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.878 18.710 1.656 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.567 18.707 1.093 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.359 15.793 -0.754 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.333 14.848 -1.306 1.00 25.00 C ATOM 1823 C VAL A 121 -11.801 13.890 -0.169 1.00 25.00 C ATOM 1824 O VAL A 121 -11.090 12.968 0.222 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.702 13.982 -2.423 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.809 13.017 -2.989 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.081 14.740 -3.645 1.00 50.00 C ATOM 0 H VAL A 121 -9.654 15.335 -0.177 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.165 15.418 -1.720 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.867 13.479 -1.935 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.383 12.398 -3.778 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.180 12.379 -2.187 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.632 13.606 -3.394 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -9.674 14.018 -4.353 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -10.853 15.333 -4.135 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.283 15.397 -3.298 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.932 14.177 0.501 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.453 13.280 1.546 1.00 25.00 C ATOM 1839 C PRO A 122 -14.095 12.018 0.890 1.00 25.00 C ATOM 1840 O PRO A 122 -14.377 12.034 -0.292 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.391 14.191 2.319 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.943 15.223 1.294 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.743 15.434 0.394 1.00 25.00 C ATOM 0 HA PRO A 122 -12.718 12.844 2.222 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -15.202 13.620 2.771 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.864 14.693 3.130 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.802 14.836 0.746 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.261 16.148 1.775 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.052 15.614 -0.636 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.164 16.302 0.710 1.00 25.00 H new ATOM 1851 N HIS A 123 -14.357 10.998 1.680 1.00 25.00 N ATOM 1852 CA HIS A 123 -14.888 9.767 1.202 1.00 25.00 C ATOM 1853 C HIS A 123 -16.136 9.502 1.963 1.00 25.00 C ATOM 1854 O HIS A 123 -16.192 9.770 3.181 1.00 25.00 O ATOM 1855 CB HIS A 123 -13.846 8.660 1.514 1.00 25.00 C ATOM 1856 CG HIS A 123 -14.258 7.316 1.070 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -14.970 6.372 1.863 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -14.027 6.707 -0.072 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -15.074 5.279 1.155 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -14.489 5.427 0.006 1.00 25.00 N ATOM 0 H HIS A 123 -14.199 11.015 2.688 1.00 25.00 H new ATOM 0 HA HIS A 123 -15.096 9.794 0.132 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -12.901 8.917 1.035 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -13.663 8.638 2.588 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -13.548 7.150 -0.933 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -15.576 4.380 1.480 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -14.392 4.710 -0.713 1.00 25.00 H new ATOM 1868 N ASP A 124 -17.165 8.991 1.305 1.00 25.00 N ATOM 1869 CA ASP A 124 -18.447 8.614 1.962 1.00 25.00 C ATOM 1870 C ASP A 124 -18.930 7.231 1.679 1.00 25.00 C ATOM 1871 O ASP A 124 -19.833 6.717 2.304 1.00 25.00 O ATOM 1872 CB ASP A 124 -19.585 9.593 1.586 1.00 25.00 C ATOM 1873 CG ASP A 124 -20.249 9.199 0.293 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -19.519 9.147 -0.706 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -21.425 8.867 0.229 1.00 50.00 O1- ATOM 0 H ASP A 124 -17.154 8.819 0.300 1.00 25.00 H new ATOM 0 HA ASP A 124 -18.206 8.664 3.024 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -20.326 9.614 2.385 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -19.183 10.602 1.497 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.303 6.565 0.684 1.00 25.00 N ATOM 1881 CA GLY A 125 -18.477 5.189 0.343 1.00 25.00 C ATOM 1882 C GLY A 125 -19.227 5.046 -0.984 1.00 25.00 C ATOM 1883 O GLY A 125 -19.347 3.913 -1.507 1.00 25.00 O ATOM 0 H GLY A 125 -17.626 7.028 0.077 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -17.504 4.702 0.270 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.029 4.681 1.134 1.00 25.00 H new ATOM 1887 N SER A 126 -19.737 6.148 -1.480 1.00 25.00 N ATOM 1888 CA SER A 126 -20.460 6.150 -2.772 1.00 25.00 C ATOM 1889 C SER A 126 -19.306 6.018 -3.744 1.00 25.00 C ATOM 1890 O SER A 126 -18.248 6.524 -3.502 1.00 25.00 O ATOM 1891 CB SER A 126 -21.249 7.402 -3.067 1.00 25.00 C ATOM 1892 OG SER A 126 -20.449 8.581 -3.227 1.00 25.00 O ATOM 0 H SER A 126 -19.676 7.060 -1.027 1.00 25.00 H new ATOM 0 HA SER A 126 -21.223 5.373 -2.809 1.00 25.00 H new ATOM 0 HB2 SER A 126 -21.830 7.245 -3.976 1.00 25.00 H new ATOM 0 HB3 SER A 126 -21.961 7.567 -2.258 1.00 25.00 H new ATOM 0 HG SER A 126 -20.029 8.810 -2.372 1.00 25.00 H new ATOM 1898 N PRO A 127 -19.588 5.474 -4.914 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.456 5.294 -5.875 1.00 25.00 C ATOM 1900 C PRO A 127 -17.989 6.593 -6.534 1.00 25.00 C ATOM 1901 O PRO A 127 -17.328 6.565 -7.553 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.108 4.367 -6.936 1.00 25.00 C ATOM 1903 CG PRO A 127 -20.466 4.762 -6.920 1.00 25.00 C ATOM 1904 CD PRO A 127 -20.860 4.931 -5.433 1.00 25.00 C ATOM 0 HA PRO A 127 -17.559 4.911 -5.389 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -18.660 4.504 -7.920 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -18.992 3.315 -6.677 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -20.604 5.695 -7.466 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -21.093 4.013 -7.404 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -21.697 5.616 -5.295 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -21.138 3.988 -4.962 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.173 7.727 -5.942 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.628 8.979 -6.473 1.00 25.00 C ATOM 1914 C ALA A 128 -16.126 9.008 -6.180 1.00 25.00 C ATOM 1915 O ALA A 128 -15.297 9.660 -6.823 1.00 25.00 O ATOM 1916 CB ALA A 128 -18.283 10.135 -5.697 1.00 25.00 C ATOM 0 H ALA A 128 -18.702 7.835 -5.076 1.00 25.00 H new ATOM 0 HA ALA A 128 -17.814 9.064 -7.544 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -17.899 11.086 -6.067 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -19.363 10.101 -5.837 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.051 10.039 -4.636 1.00 25.00 H new ATOM 1922 N SER A 129 -15.744 8.126 -5.258 1.00 25.00 N ATOM 1923 CA SER A 129 -14.314 7.927 -4.912 1.00 25.00 C ATOM 1924 C SER A 129 -13.488 7.248 -6.040 1.00 25.00 C ATOM 1925 O SER A 129 -12.276 7.232 -6.030 1.00 25.00 O ATOM 1926 CB SER A 129 -14.290 7.052 -3.673 1.00 25.00 C ATOM 1927 OG SER A 129 -15.055 5.937 -3.873 1.00 25.00 O ATOM 0 H SER A 129 -16.390 7.536 -4.734 1.00 25.00 H new ATOM 0 HA SER A 129 -13.853 8.902 -4.755 1.00 25.00 H new ATOM 0 HB2 SER A 129 -13.265 6.763 -3.442 1.00 25.00 H new ATOM 0 HB3 SER A 129 -14.665 7.611 -2.816 1.00 25.00 H new ATOM 0 HG SER A 129 -15.033 5.377 -3.069 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.214 6.684 -7.014 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.597 6.135 -8.174 1.00 25.00 C ATOM 1935 C ARG A 130 -12.824 7.198 -8.955 1.00 25.00 C ATOM 1936 O ARG A 130 -11.794 6.885 -9.572 1.00 25.00 O ATOM 1937 CB ARG A 130 -14.618 5.399 -9.060 1.00 25.00 C ATOM 1938 CG ARG A 130 -14.034 4.467 -10.143 1.00 25.00 C ATOM 1939 CD ARG A 130 -15.058 3.961 -11.010 1.00 25.00 C ATOM 1940 NE ARG A 130 -14.633 2.919 -12.002 1.00 25.00 N ATOM 1941 CZ ARG A 130 -15.426 2.301 -12.846 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -16.605 2.698 -13.071 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -15.030 1.254 -13.488 1.00 25.00 N ATOM 0 H ARG A 130 -15.231 6.608 -6.998 1.00 25.00 H new ATOM 0 HA ARG A 130 -12.871 5.394 -7.840 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.269 4.809 -8.415 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -15.245 6.143 -9.551 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -13.294 5.010 -10.731 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -13.515 3.635 -9.667 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.853 3.542 -10.393 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -15.488 4.800 -11.558 1.00 25.00 H new ATOM 0 HE ARG A 130 -13.644 2.670 -12.022 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -16.966 3.522 -12.590 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -17.195 2.194 -13.733 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -14.087 0.894 -13.344 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -15.660 0.787 -14.140 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.275 8.444 -8.858 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.479 9.601 -9.387 1.00 25.00 C ATOM 1959 C ASN A 131 -11.239 9.789 -8.564 1.00 25.00 C ATOM 1960 O ASN A 131 -11.231 10.512 -7.555 1.00 25.00 O ATOM 1961 CB ASN A 131 -13.417 10.766 -9.557 1.00 25.00 C ATOM 1962 CG ASN A 131 -14.270 10.662 -10.766 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.915 10.099 -11.801 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -15.453 11.229 -10.671 1.00 25.00 N ATOM 0 H ASN A 131 -14.165 8.700 -8.431 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.066 9.439 -10.383 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -14.055 10.841 -8.676 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -12.836 11.687 -9.609 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -16.094 11.207 -11.464 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -15.729 11.691 -9.804 1.00 25.00 H new ATOM 1971 N LEU A 132 -10.123 9.123 -8.910 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.845 9.245 -8.179 1.00 25.00 C ATOM 1973 C LEU A 132 -8.035 10.343 -8.854 1.00 25.00 C ATOM 1974 O LEU A 132 -7.320 11.156 -8.301 1.00 25.00 O ATOM 1975 CB LEU A 132 -8.108 7.875 -8.180 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.725 7.774 -7.457 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.860 8.280 -5.989 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.352 6.290 -7.397 1.00 75.00 C ATOM 0 H LEU A 132 -10.080 8.484 -9.704 1.00 25.00 H new ATOM 0 HA LEU A 132 -9.002 9.514 -7.134 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.774 7.140 -7.728 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.962 7.577 -9.218 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.981 8.367 -7.988 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.894 8.208 -5.489 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -7.191 9.319 -5.991 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.590 7.668 -5.459 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.390 6.177 -6.898 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.115 5.745 -6.841 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.285 5.890 -8.409 1.00 75.00 H new ATOM 1990 N SER A 133 -8.366 10.448 -10.155 1.00 25.00 N ATOM 1991 CA SER A 133 -7.814 11.476 -11.062 1.00 25.00 C ATOM 1992 C SER A 133 -8.615 12.784 -10.833 1.00 25.00 C ATOM 1993 O SER A 133 -9.861 12.726 -10.953 1.00 25.00 O ATOM 1994 CB SER A 133 -8.053 11.013 -12.508 1.00 25.00 C ATOM 1995 OG SER A 133 -7.441 11.976 -13.348 1.00 25.00 O ATOM 0 H SER A 133 -9.028 9.819 -10.610 1.00 25.00 H new ATOM 0 HA SER A 133 -6.751 11.632 -10.880 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.624 10.025 -12.674 1.00 25.00 H new ATOM 0 HB3 SER A 133 -9.120 10.937 -12.719 1.00 25.00 H new ATOM 0 HG SER A 133 -6.476 11.809 -13.389 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.941 13.860 -10.505 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.592 15.168 -10.372 1.00 25.00 C ATOM 2003 C HIS A 134 -7.783 16.225 -11.208 1.00 25.00 C ATOM 2004 O HIS A 134 -6.559 16.187 -11.189 1.00 25.00 O ATOM 2005 CB HIS A 134 -8.702 15.574 -8.875 1.00 25.00 C ATOM 2006 CG HIS A 134 -9.885 14.945 -8.194 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -10.813 15.615 -7.425 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -10.315 13.632 -8.121 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -11.743 14.752 -6.918 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -11.443 13.536 -7.333 1.00 25.00 N ATOM 0 H HIS A 134 -6.938 13.869 -10.322 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.609 15.120 -10.762 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -7.790 15.282 -8.355 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -8.778 16.659 -8.801 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.835 12.799 -8.612 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -12.578 15.019 -6.287 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -11.953 12.681 -7.111 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.438 17.076 -11.959 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.854 18.169 -12.661 1.00 25.00 C ATOM 2020 C HIS A 135 -7.422 19.184 -11.588 1.00 25.00 C ATOM 2021 O HIS A 135 -8.228 19.366 -10.637 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.890 18.745 -13.667 1.00 25.00 C ATOM 2023 CG HIS A 135 -9.162 17.820 -14.833 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.415 17.841 -15.958 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.950 16.753 -14.925 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -8.774 16.870 -16.762 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.728 16.181 -16.147 1.00 25.00 N ATOM 0 H HIS A 135 -9.447 17.012 -12.098 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.985 17.882 -13.254 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.825 18.944 -13.143 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.527 19.701 -14.046 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -7.676 18.517 -16.154 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -10.640 16.402 -14.172 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -8.369 16.668 -17.743 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.225 19.693 -11.589 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.756 20.589 -10.561 1.00 25.00 C ATOM 2037 C ILE A 136 -5.133 21.908 -11.157 1.00 25.00 C ATOM 2038 O ILE A 136 -4.171 21.824 -11.951 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.594 20.074 -9.655 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.956 18.737 -9.008 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.326 21.151 -8.550 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -5.990 18.535 -7.872 1.00 25.00 C ATOM 0 H ILE A 136 -5.533 19.497 -12.313 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.673 20.718 -9.986 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.701 19.916 -10.260 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.282 18.092 -9.824 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.019 18.326 -8.632 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.517 20.814 -7.902 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.046 22.093 -9.021 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.229 21.296 -7.957 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -6.041 17.478 -7.610 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -5.687 19.111 -6.998 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -6.970 18.873 -8.208 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.740 23.044 -10.823 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.300 24.368 -11.382 1.00 25.00 C ATOM 2056 C TYR A 137 -3.932 24.849 -10.933 1.00 25.00 C ATOM 2057 O TYR A 137 -3.621 24.929 -9.750 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.364 25.418 -11.027 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.056 26.754 -11.670 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -5.722 27.838 -10.844 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.248 26.949 -13.045 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -5.525 29.133 -11.399 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -6.067 28.244 -13.638 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.718 29.339 -12.819 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.695 30.618 -13.359 1.00 25.00 O ATOM 0 H TYR A 137 -6.529 23.100 -10.179 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.199 24.225 -12.458 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.344 25.071 -11.356 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -6.414 25.536 -9.945 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.614 27.688 -9.780 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.536 26.114 -13.666 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -5.233 29.957 -10.765 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -6.197 28.379 -14.702 1.00 25.00 H new ATOM 0 HH TYR A 137 -5.841 30.567 -14.327 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.059 25.248 -11.831 1.00 25.00 N ATOM 2076 CA ILE A 138 -1.852 25.927 -11.472 1.00 25.00 C ATOM 2077 C ILE A 138 -1.951 27.360 -12.007 1.00 25.00 C ATOM 2078 O ILE A 138 -2.027 27.519 -13.199 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.608 25.173 -12.113 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.556 23.698 -11.678 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.713 25.967 -11.874 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.251 23.386 -10.196 1.00 25.00 C ATOM 0 H ILE A 138 -3.175 25.106 -12.834 1.00 25.00 H new ATOM 0 HA ILE A 138 -1.717 25.942 -10.391 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.735 25.141 -13.195 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.516 23.244 -11.923 1.00 25.00 H new ATOM 0 HG13 ILE A 138 0.198 23.198 -12.286 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.548 25.428 -12.323 1.00 25.00 H new ATOM 0 HG22 ILE A 138 0.632 26.954 -12.329 1.00 25.00 H new ATOM 0 HG23 ILE A 138 0.884 26.074 -10.803 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.248 22.307 -10.045 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.726 23.792 -9.932 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -1.015 23.839 -9.564 1.00 25.00 H new ATOM 2094 N PRO A 139 -1.924 28.401 -11.165 1.00 25.00 N ATOM 2095 CA PRO A 139 -1.869 29.737 -11.812 1.00 25.00 C ATOM 2096 C PRO A 139 -0.582 30.110 -12.447 1.00 25.00 C ATOM 2097 O PRO A 139 0.522 29.801 -11.930 1.00 25.00 O ATOM 2098 CB PRO A 139 -2.260 30.722 -10.668 1.00 25.00 C ATOM 2099 CG PRO A 139 -1.750 30.063 -9.457 1.00 25.00 C ATOM 2100 CD PRO A 139 -2.033 28.592 -9.694 1.00 25.00 C ATOM 0 HA PRO A 139 -2.541 29.756 -12.670 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -1.808 31.703 -10.811 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -3.338 30.872 -10.619 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -0.684 30.248 -9.321 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -2.254 30.427 -8.562 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -1.318 27.964 -9.162 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -3.026 28.320 -9.335 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.694 30.867 -13.540 1.00 25.00 N ATOM 2109 CA GLU A 140 0.486 31.313 -14.282 1.00 25.00 C ATOM 2110 C GLU A 140 0.979 32.660 -13.647 1.00 25.00 C ATOM 2111 O GLU A 140 1.042 33.722 -14.274 1.00 25.00 O ATOM 2112 CB GLU A 140 0.053 31.419 -15.741 1.00 25.00 C ATOM 2113 CG GLU A 140 1.199 31.128 -16.724 1.00 25.00 C ATOM 2114 CD GLU A 140 0.879 31.165 -18.213 1.00 25.00 C ATOM 2115 OE1 GLU A 140 1.762 31.157 -19.061 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -0.279 31.302 -18.535 1.00 25.00 O1- ATOM 0 H GLU A 140 -1.583 31.182 -13.929 1.00 25.00 H new ATOM 0 HA GLU A 140 1.335 30.631 -14.233 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -0.764 30.721 -15.925 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -0.335 32.420 -15.928 1.00 25.00 H new ATOM 0 HG2 GLU A 140 1.995 31.848 -16.534 1.00 25.00 H new ATOM 0 HG3 GLU A 140 1.599 30.141 -16.491 1.00 25.00 H new ATOM 2123 N ASP A 141 1.209 32.659 -12.342 1.00 25.00 N ATOM 2124 CA ASP A 141 1.484 33.898 -11.614 1.00 25.00 C ATOM 2125 C ASP A 141 2.908 34.462 -11.572 1.00 25.00 C ATOM 2126 O ASP A 141 3.126 35.661 -11.461 1.00 25.00 O ATOM 2127 CB ASP A 141 1.077 33.675 -10.187 1.00 25.00 C ATOM 2128 CG ASP A 141 1.842 32.579 -9.457 1.00 25.00 C ATOM 2129 OD1 ASP A 141 2.076 31.464 -9.967 1.00 50.00 O ATOM 2130 OD2 ASP A 141 2.211 32.846 -8.261 1.00 50.00 O1- ATOM 0 H ASP A 141 1.212 31.819 -11.763 1.00 25.00 H new ATOM 0 HA ASP A 141 0.927 34.642 -12.184 1.00 25.00 H new ATOM 0 HB2 ASP A 141 1.203 34.609 -9.640 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.015 33.432 -10.163 1.00 25.00 H new ATOM 2135 N ARG A 142 3.877 33.567 -11.621 1.00 25.00 N ATOM 2136 CA ARG A 142 5.306 33.822 -11.394 1.00 25.00 C ATOM 2137 C ARG A 142 6.034 32.731 -12.230 1.00 25.00 C ATOM 2138 O ARG A 142 5.306 31.835 -12.618 1.00 25.00 O ATOM 2139 CB ARG A 142 5.692 33.666 -9.869 1.00 25.00 C ATOM 2140 CG ARG A 142 5.257 34.793 -8.928 1.00 25.00 C ATOM 2141 CD ARG A 142 5.415 34.393 -7.446 1.00 25.00 C ATOM 2142 NE ARG A 142 5.129 35.538 -6.551 1.00 25.00 N ATOM 2143 CZ ARG A 142 3.928 35.785 -5.972 1.00 25.00 C ATOM 2144 NH1 ARG A 142 2.807 35.168 -6.268 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 3.869 36.769 -5.119 1.00 25.00 N ATOM 0 H ARG A 142 3.689 32.587 -11.831 1.00 25.00 H new ATOM 0 HA ARG A 142 5.578 34.838 -11.679 1.00 25.00 H new ATOM 0 HB2 ARG A 142 5.262 32.733 -9.503 1.00 25.00 H new ATOM 0 HB3 ARG A 142 6.775 33.566 -9.801 1.00 25.00 H new ATOM 0 HG2 ARG A 142 5.851 35.685 -9.129 1.00 25.00 H new ATOM 0 HG3 ARG A 142 4.217 35.051 -9.126 1.00 25.00 H new ATOM 0 HD2 ARG A 142 4.740 33.569 -7.215 1.00 25.00 H new ATOM 0 HD3 ARG A 142 6.429 34.034 -7.269 1.00 25.00 H new ATOM 0 HE ARG A 142 5.891 36.188 -6.356 1.00 25.00 H new ATOM 0 HH11 ARG A 142 2.799 34.441 -6.983 1.00 25.00 H new ATOM 0 HH12 ARG A 142 1.945 35.416 -5.783 1.00 25.00 H new ATOM 0 HH21 ARG A 142 4.705 37.316 -4.912 1.00 25.00 H new ATOM 0 HH22 ARG A 142 2.987 36.992 -4.658 1.00 25.00 H new ATOM 2159 N LEU A 143 7.328 32.696 -12.282 1.00 25.00 N ATOM 2160 CA LEU A 143 8.080 31.506 -12.671 1.00 25.00 C ATOM 2161 C LEU A 143 8.822 31.096 -11.414 1.00 25.00 C ATOM 2162 O LEU A 143 9.518 31.900 -10.779 1.00 25.00 O ATOM 2163 CB LEU A 143 9.100 31.776 -13.810 1.00 25.00 C ATOM 2164 CG LEU A 143 8.575 31.997 -15.273 1.00 25.00 C ATOM 2165 CD1 LEU A 143 7.718 33.216 -15.511 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.880 32.146 -16.113 1.00 50.00 C ATOM 0 H LEU A 143 7.917 33.497 -12.055 1.00 25.00 H new ATOM 0 HA LEU A 143 7.407 30.740 -13.057 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.676 32.658 -13.532 1.00 25.00 H new ATOM 0 HB3 LEU A 143 9.794 30.936 -13.834 1.00 25.00 H new ATOM 0 HG LEU A 143 7.918 31.166 -15.529 1.00 25.00 H new ATOM 0 HD11 LEU A 143 7.421 33.253 -16.559 1.00 50.00 H new ATOM 0 HD12 LEU A 143 6.828 33.163 -14.883 1.00 50.00 H new ATOM 0 HD13 LEU A 143 8.285 34.113 -15.263 1.00 50.00 H new ATOM 0 HD21 LEU A 143 9.623 32.306 -17.160 1.00 50.00 H new ATOM 0 HD22 LEU A 143 10.453 32.997 -15.746 1.00 50.00 H new ATOM 0 HD23 LEU A 143 10.478 31.239 -16.021 1.00 50.00 H new ATOM 2178 N GLY A 144 8.676 29.837 -10.988 1.00 25.00 N ATOM 2179 CA GLY A 144 9.429 29.417 -9.812 1.00 25.00 C ATOM 2180 C GLY A 144 9.006 28.125 -9.244 1.00 25.00 C ATOM 2181 O GLY A 144 7.985 27.579 -9.670 1.00 25.00 O ATOM 0 H GLY A 144 8.078 29.129 -11.414 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.485 29.355 -10.075 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.336 30.185 -9.044 1.00 25.00 H new ATOM 2185 N TYR A 145 9.774 27.588 -8.301 1.00 25.00 N ATOM 2186 CA TYR A 145 9.652 26.216 -7.782 1.00 25.00 C ATOM 2187 C TYR A 145 9.200 26.182 -6.334 1.00 25.00 C ATOM 2188 O TYR A 145 9.683 26.978 -5.520 1.00 25.00 O ATOM 2189 CB TYR A 145 10.980 25.448 -8.154 1.00 25.00 C ATOM 2190 CG TYR A 145 11.842 24.935 -7.007 1.00 25.00 C ATOM 2191 CD1 TYR A 145 12.964 25.632 -6.539 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.553 23.699 -6.358 1.00 50.00 C ATOM 2193 CE1 TYR A 145 13.788 25.179 -5.575 1.00 25.00 C ATOM 2194 CE2 TYR A 145 12.447 23.101 -5.371 1.00 25.00 C ATOM 2195 CZ TYR A 145 13.568 23.887 -5.049 1.00 25.00 C ATOM 2196 OH TYR A 145 14.546 23.349 -4.161 1.00 25.00 O ATOM 0 H TYR A 145 10.529 28.110 -7.856 1.00 25.00 H new ATOM 0 HA TYR A 145 8.839 25.667 -8.257 1.00 25.00 H new ATOM 0 HB2 TYR A 145 10.712 24.597 -8.780 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.593 26.112 -8.764 1.00 25.00 H new ATOM 0 HD1 TYR A 145 13.182 26.594 -6.979 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.636 23.185 -6.606 1.00 50.00 H new ATOM 0 HE1 TYR A 145 14.600 25.791 -5.212 1.00 25.00 H new ATOM 0 HE2 TYR A 145 12.263 22.135 -4.925 1.00 25.00 H new ATOM 0 HH TYR A 145 14.269 22.454 -3.873 1.00 25.00 H new ATOM 2206 N HIS A 146 8.229 25.257 -6.057 1.00 25.00 N ATOM 2207 CA HIS A 146 7.775 24.934 -4.654 1.00 25.00 C ATOM 2208 C HIS A 146 7.356 23.460 -4.468 1.00 25.00 C ATOM 2209 O HIS A 146 7.213 22.811 -5.463 1.00 25.00 O ATOM 2210 CB HIS A 146 6.626 25.903 -4.204 1.00 25.00 C ATOM 2211 CG HIS A 146 5.300 25.660 -4.888 1.00 25.00 C ATOM 2212 ND1 HIS A 146 4.386 24.675 -4.542 1.00 25.00 N ATOM 2213 CD2 HIS A 146 4.608 26.419 -5.802 1.00 25.00 C ATOM 2214 CE1 HIS A 146 3.267 24.796 -5.243 1.00 25.00 C ATOM 2215 NE2 HIS A 146 3.372 25.855 -5.979 1.00 25.00 N ATOM 0 H HIS A 146 7.745 24.722 -6.778 1.00 25.00 H new ATOM 0 HA HIS A 146 8.642 25.086 -4.010 1.00 25.00 H new ATOM 0 HB2 HIS A 146 6.488 25.808 -3.127 1.00 25.00 H new ATOM 0 HB3 HIS A 146 6.937 26.930 -4.396 1.00 25.00 H new ATOM 0 HD1 HIS A 146 4.553 23.953 -3.841 1.00 25.00 H new ATOM 0 HD2 HIS A 146 4.975 27.307 -6.295 1.00 25.00 H new ATOM 0 HE1 HIS A 146 2.418 24.129 -5.206 1.00 25.00 H new ATOM 2223 N VAL A 147 7.189 23.045 -3.208 1.00 25.00 N ATOM 2224 CA VAL A 147 6.927 21.635 -2.926 1.00 25.00 C ATOM 2225 C VAL A 147 5.421 21.487 -3.083 1.00 25.00 C ATOM 2226 O VAL A 147 4.700 22.461 -2.840 1.00 25.00 O ATOM 2227 CB VAL A 147 7.305 21.364 -1.424 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.425 19.875 -1.136 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.560 22.095 -0.968 1.00 50.00 C ATOM 0 H VAL A 147 7.229 23.650 -2.388 1.00 25.00 H new ATOM 0 HA VAL A 147 7.485 20.955 -3.570 1.00 25.00 H new ATOM 0 HB VAL A 147 6.478 21.771 -0.842 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.687 19.727 -0.088 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.473 19.386 -1.344 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.201 19.443 -1.769 1.00 50.00 H new ATOM 0 HG21 VAL A 147 8.758 21.860 0.078 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.407 21.779 -1.578 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.415 23.170 -1.077 1.00 50.00 H new ATOM 2239 N ILE A 148 4.954 20.244 -3.312 1.00 25.00 N ATOM 2240 CA ILE A 148 3.581 19.886 -3.127 1.00 25.00 C ATOM 2241 C ILE A 148 3.653 18.671 -2.283 1.00 25.00 C ATOM 2242 O ILE A 148 4.457 17.788 -2.522 1.00 25.00 O ATOM 2243 CB ILE A 148 2.874 19.645 -4.485 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.985 20.782 -5.509 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.364 19.194 -4.296 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.294 20.579 -6.966 1.00 25.00 C ATOM 0 H ILE A 148 5.542 19.474 -3.632 1.00 25.00 H new ATOM 0 HA ILE A 148 2.986 20.669 -2.657 1.00 25.00 H new ATOM 0 HB ILE A 148 3.441 18.824 -4.924 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.555 21.677 -5.059 1.00 25.00 H new ATOM 0 HG13 ILE A 148 4.044 20.983 -5.669 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.906 19.036 -5.273 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.330 18.266 -3.725 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.817 19.970 -3.760 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.460 21.468 -7.574 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.735 19.714 -7.461 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.223 20.419 -6.842 1.00 25.00 H new ATOM 2258 N LEU A 149 2.779 18.613 -1.263 1.00 25.00 N ATOM 2259 CA LEU A 149 2.839 17.536 -0.304 1.00 25.00 C ATOM 2260 C LEU A 149 1.436 16.872 -0.367 1.00 25.00 C ATOM 2261 O LEU A 149 0.501 17.595 -0.671 1.00 25.00 O ATOM 2262 CB LEU A 149 3.021 18.067 1.124 1.00 25.00 C ATOM 2263 CG LEU A 149 4.365 18.719 1.452 1.00 25.00 C ATOM 2264 CD1 LEU A 149 4.387 20.190 0.997 1.00 50.00 C ATOM 2265 CD2 LEU A 149 4.573 18.608 2.951 1.00 50.00 C ATOM 0 H LEU A 149 2.040 19.296 -1.097 1.00 25.00 H new ATOM 0 HA LEU A 149 3.670 16.868 -0.531 1.00 25.00 H new ATOM 0 HB2 LEU A 149 2.234 18.795 1.318 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.867 17.239 1.816 1.00 25.00 H new ATOM 0 HG LEU A 149 5.172 18.213 0.922 1.00 25.00 H new ATOM 0 HD11 LEU A 149 5.353 20.632 1.241 1.00 50.00 H new ATOM 0 HD12 LEU A 149 4.227 20.240 -0.080 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.597 20.741 1.507 1.00 50.00 H new ATOM 0 HD21 LEU A 149 5.525 19.064 3.221 1.00 50.00 H new ATOM 0 HD22 LEU A 149 3.764 19.122 3.470 1.00 50.00 H new ATOM 0 HD23 LEU A 149 4.579 17.557 3.241 1.00 50.00 H new ATOM 2277 N ALA A 150 1.257 15.597 -0.060 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.142 15.103 0.016 1.00 25.00 C ATOM 2279 C ALA A 150 -0.202 14.168 1.179 1.00 25.00 C ATOM 2280 O ALA A 150 0.813 13.645 1.492 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.521 14.356 -1.340 1.00 25.00 C ATOM 0 H ALA A 150 1.991 14.915 0.131 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.853 15.919 0.148 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.548 13.995 -1.282 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.427 15.049 -2.176 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.153 13.512 -1.491 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.380 13.973 1.710 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.558 13.093 2.919 1.00 25.00 C ATOM 2289 C VAL A 151 -2.857 12.273 2.800 1.00 25.00 C ATOM 2290 O VAL A 151 -3.880 12.846 2.421 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.622 13.936 4.207 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.667 13.043 5.436 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.407 14.927 4.392 1.00 50.00 C ATOM 0 H VAL A 151 -2.242 14.389 1.358 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.700 12.422 2.968 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.532 14.527 4.102 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -1.712 13.661 6.333 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.550 12.405 5.390 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.772 12.422 5.467 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.529 15.482 5.322 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.523 14.360 4.427 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.375 15.624 3.555 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.871 10.977 3.086 1.00 25.00 N ATOM 2304 CA TRP A 152 -4.049 10.151 2.839 1.00 25.00 C ATOM 2305 C TRP A 152 -4.437 9.487 4.139 1.00 25.00 C ATOM 2306 O TRP A 152 -3.689 8.776 4.777 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.710 9.076 1.768 1.00 25.00 C ATOM 2308 CG TRP A 152 -4.965 8.376 1.241 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -5.829 7.534 1.885 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -5.449 8.380 -0.109 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -6.785 7.055 1.111 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -6.637 7.632 -0.117 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -5.043 8.952 -1.336 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -7.416 7.449 -1.301 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -5.767 8.785 -2.495 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -7.005 8.055 -2.459 1.00 25.00 C ATOM 0 H TRP A 152 -2.081 10.474 3.489 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.876 10.759 2.472 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -3.181 9.545 0.938 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -3.036 8.336 2.198 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.737 7.284 2.932 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -7.501 6.380 1.380 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -4.137 9.538 -1.365 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -8.311 6.845 -1.283 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -5.407 9.200 -3.425 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -7.614 7.984 -3.348 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.652 9.758 4.615 1.00 25.00 N ATOM 2328 CA ASP A 153 -6.154 9.089 5.809 1.00 25.00 C ATOM 2329 C ASP A 153 -6.763 7.754 5.477 1.00 25.00 C ATOM 2330 O ASP A 153 -7.944 7.605 5.213 1.00 25.00 O ATOM 2331 CB ASP A 153 -7.110 9.918 6.616 1.00 25.00 C ATOM 2332 CG ASP A 153 -7.348 9.326 7.998 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -7.229 8.126 8.281 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -7.654 10.177 8.911 1.00 25.00 O1- ATOM 0 H ASP A 153 -6.298 10.428 4.197 1.00 25.00 H new ATOM 0 HA ASP A 153 -5.278 8.933 6.439 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.717 10.930 6.717 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -8.059 9.996 6.086 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.870 6.740 5.501 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.316 5.368 5.282 1.00 25.00 C ATOM 2341 C VAL A 154 -6.972 4.895 6.621 1.00 25.00 C ATOM 2342 O VAL A 154 -6.304 4.563 7.602 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.182 4.375 4.886 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.694 2.937 4.872 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.542 4.813 3.590 1.00 50.00 C ATOM 0 H VAL A 154 -4.869 6.850 5.665 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.005 5.367 4.438 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.395 4.393 5.640 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.883 2.265 4.593 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -6.060 2.671 5.864 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.505 2.847 4.150 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.751 4.114 3.320 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.294 4.832 2.801 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.119 5.810 3.712 1.00 50.00 H new ATOM 2355 N ALA A 155 -8.308 4.877 6.590 1.00 25.00 N ATOM 2356 CA ALA A 155 -9.097 4.628 7.795 1.00 25.00 C ATOM 2357 C ALA A 155 -8.974 3.180 8.352 1.00 25.00 C ATOM 2358 O ALA A 155 -9.341 2.895 9.494 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.546 4.941 7.505 1.00 25.00 C ATOM 0 H ALA A 155 -8.861 5.031 5.747 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.696 5.280 8.571 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -11.143 4.758 8.398 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.641 5.987 7.213 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.901 4.304 6.695 1.00 25.00 H new ATOM 2365 N ASP A 156 -8.524 2.243 7.536 1.00 25.00 N ATOM 2366 CA ASP A 156 -8.166 0.881 7.961 1.00 25.00 C ATOM 2367 C ASP A 156 -6.994 0.685 8.863 1.00 25.00 C ATOM 2368 O ASP A 156 -6.956 -0.222 9.728 1.00 25.00 O ATOM 2369 CB ASP A 156 -7.805 -0.004 6.728 1.00 25.00 C ATOM 2370 CG ASP A 156 -7.473 -1.449 7.077 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -8.398 -2.203 7.477 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -6.291 -1.780 6.860 1.00 25.00 O1- ATOM 0 H ASP A 156 -8.391 2.401 6.537 1.00 25.00 H new ATOM 0 HA ASP A 156 -9.067 0.616 8.514 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -8.641 0.007 6.029 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -6.953 0.439 6.213 1.00 25.00 H new ATOM 2377 N THR A 157 -6.050 1.640 8.782 1.00 25.00 N ATOM 2378 CA THR A 157 -4.780 1.540 9.519 1.00 25.00 C ATOM 2379 C THR A 157 -4.575 2.606 10.584 1.00 25.00 C ATOM 2380 O THR A 157 -5.309 3.632 10.559 1.00 25.00 O ATOM 2381 CB THR A 157 -3.586 1.594 8.564 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.748 2.804 7.813 1.00 25.00 O ATOM 2383 CG2 THR A 157 -3.594 0.456 7.554 1.00 25.00 C ATOM 0 H THR A 157 -6.143 2.484 8.217 1.00 25.00 H new ATOM 0 HA THR A 157 -4.843 0.578 10.027 1.00 25.00 H new ATOM 0 HB THR A 157 -2.664 1.531 9.142 1.00 25.00 H new ATOM 0 HG1 THR A 157 -3.295 3.539 8.276 1.00 25.00 H new ATOM 0 HG21 THR A 157 -2.725 0.543 6.901 1.00 25.00 H new ATOM 0 HG22 THR A 157 -3.559 -0.498 8.080 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.504 0.507 6.956 1.00 25.00 H new ATOM 2391 N GLU A 158 -3.704 2.319 11.545 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.493 3.297 12.605 1.00 25.00 C ATOM 2393 C GLU A 158 -2.457 4.313 12.079 1.00 25.00 C ATOM 2394 O GLU A 158 -2.561 5.443 12.443 1.00 25.00 O ATOM 2395 CB GLU A 158 -2.887 2.745 13.904 1.00 25.00 C ATOM 2396 CG GLU A 158 -3.821 1.759 14.664 1.00 25.00 C ATOM 2397 CD GLU A 158 -3.168 1.497 16.025 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -2.107 0.784 16.163 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -3.676 2.053 16.974 1.00 25.00 O1- ATOM 0 H GLU A 158 -3.157 1.461 11.614 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.479 3.695 12.843 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -1.951 2.237 13.670 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -2.641 3.578 14.562 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -4.816 2.186 14.788 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -3.940 0.830 14.106 1.00 25.00 H new ATOM 2406 N ASN A 159 -1.573 3.894 11.177 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.842 4.811 10.320 1.00 25.00 C ATOM 2408 C ASN A 159 -1.786 5.529 9.325 1.00 25.00 C ATOM 2409 O ASN A 159 -2.827 5.083 8.931 1.00 25.00 O ATOM 2410 CB ASN A 159 0.255 4.090 9.582 1.00 25.00 C ATOM 2411 CG ASN A 159 1.399 3.680 10.525 1.00 25.00 C ATOM 2412 OD1 ASN A 159 1.463 4.057 11.658 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.135 2.726 10.086 1.00 25.00 N ATOM 0 H ASN A 159 -1.347 2.911 11.023 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.390 5.571 10.958 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -0.154 3.203 9.098 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.646 4.732 8.793 1.00 25.00 H new ATOM 0 HD21 ASN A 159 2.799 2.266 10.709 1.00 25.00 H new ATOM 0 HD22 ASN A 159 2.057 2.427 9.114 1.00 25.00 H new ATOM 2420 N ALA A 160 -1.256 6.663 8.885 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.783 7.526 7.846 1.00 25.00 C ATOM 2422 C ALA A 160 -0.607 7.653 6.921 1.00 25.00 C ATOM 2423 O ALA A 160 0.490 7.418 7.388 1.00 25.00 O ATOM 2424 CB ALA A 160 -2.225 8.840 8.544 1.00 25.00 C ATOM 0 H ALA A 160 -0.386 7.025 9.275 1.00 25.00 H new ATOM 0 HA ALA A 160 -2.656 7.186 7.289 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -2.631 9.527 7.802 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.989 8.617 9.289 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -1.366 9.300 9.032 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.866 7.940 5.675 1.00 25.00 N ATOM 2431 CA PHE A 161 0.200 7.961 4.652 1.00 25.00 C ATOM 2432 C PHE A 161 0.543 9.307 4.092 1.00 25.00 C ATOM 2433 O PHE A 161 -0.326 10.155 4.118 1.00 25.00 O ATOM 2434 CB PHE A 161 -0.194 7.004 3.547 1.00 25.00 C ATOM 2435 CG PHE A 161 0.082 5.543 3.881 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.751 4.829 4.736 1.00 50.00 C ATOM 2437 CD2 PHE A 161 1.165 4.896 3.296 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -0.536 3.443 4.959 1.00 25.00 C ATOM 2439 CE2 PHE A 161 1.507 3.490 3.614 1.00 25.00 C ATOM 2440 CZ PHE A 161 0.629 2.782 4.403 1.00 25.00 C ATOM 0 H PHE A 161 -1.796 8.165 5.322 1.00 25.00 H new ATOM 0 HA PHE A 161 1.118 7.653 5.154 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -1.256 7.125 3.334 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.346 7.269 2.638 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.567 5.332 5.234 1.00 50.00 H new ATOM 0 HD2 PHE A 161 1.776 5.435 2.588 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -1.244 2.878 5.546 1.00 25.00 H new ATOM 0 HE2 PHE A 161 2.413 3.037 3.240 1.00 25.00 H new ATOM 0 HZ PHE A 161 0.807 1.737 4.608 1.00 25.00 H new ATOM 2450 N TYR A 162 1.778 9.477 3.622 1.00 25.00 N ATOM 2451 CA TYR A 162 2.339 10.777 3.414 1.00 25.00 C ATOM 2452 C TYR A 162 3.177 10.695 2.147 1.00 25.00 C ATOM 2453 O TYR A 162 3.707 9.663 1.738 1.00 25.00 O ATOM 2454 CB TYR A 162 3.221 11.232 4.588 1.00 25.00 C ATOM 2455 CG TYR A 162 2.358 11.506 5.853 1.00 25.00 C ATOM 2456 CD1 TYR A 162 1.817 10.424 6.626 1.00 50.00 C ATOM 2457 CD2 TYR A 162 2.029 12.835 6.238 1.00 50.00 C ATOM 2458 CE1 TYR A 162 0.901 10.742 7.705 1.00 25.00 C ATOM 2459 CE2 TYR A 162 1.215 13.116 7.409 1.00 25.00 C ATOM 2460 CZ TYR A 162 0.657 12.100 8.066 1.00 25.00 C ATOM 2461 OH TYR A 162 -0.150 12.231 9.176 1.00 25.00 O ATOM 0 H TYR A 162 2.403 8.708 3.380 1.00 25.00 H new ATOM 0 HA TYR A 162 1.535 11.508 3.330 1.00 25.00 H new ATOM 0 HB2 TYR A 162 3.965 10.466 4.808 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.766 12.135 4.311 1.00 25.00 H new ATOM 0 HD1 TYR A 162 2.085 9.400 6.410 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.394 13.659 5.643 1.00 50.00 H new ATOM 0 HE1 TYR A 162 0.401 9.946 8.238 1.00 25.00 H new ATOM 0 HE2 TYR A 162 1.065 14.133 7.741 1.00 25.00 H new ATOM 0 HH TYR A 162 -0.280 13.182 9.375 1.00 25.00 H new ATOM 2471 N GLN A 163 3.308 11.826 1.463 1.00 25.00 N ATOM 2472 CA GLN A 163 4.282 11.946 0.392 1.00 25.00 C ATOM 2473 C GLN A 163 4.696 13.425 0.161 1.00 25.00 C ATOM 2474 O GLN A 163 3.877 14.257 0.390 1.00 25.00 O ATOM 2475 CB GLN A 163 3.768 11.395 -0.959 1.00 25.00 C ATOM 2476 CG GLN A 163 2.464 11.987 -1.458 1.00 25.00 C ATOM 2477 CD GLN A 163 2.004 11.338 -2.710 1.00 25.00 C ATOM 2478 OE1 GLN A 163 2.668 11.401 -3.773 1.00 25.00 O ATOM 2479 NE2 GLN A 163 0.819 10.788 -2.720 1.00 25.00 N ATOM 0 H GLN A 163 2.755 12.666 1.632 1.00 25.00 H new ATOM 0 HA GLN A 163 5.134 11.352 0.722 1.00 25.00 H new ATOM 0 HB2 GLN A 163 4.535 11.564 -1.715 1.00 25.00 H new ATOM 0 HB3 GLN A 163 3.644 10.316 -0.867 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.698 11.877 -0.690 1.00 25.00 H new ATOM 0 HG3 GLN A 163 2.593 13.056 -1.629 1.00 25.00 H new ATOM 0 HE21 GLN A 163 0.275 10.734 -1.859 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.438 10.413 -3.589 1.00 25.00 H new ATOM 2488 N VAL A 164 5.953 13.666 -0.283 1.00 25.00 N ATOM 2489 CA VAL A 164 6.490 15.021 -0.581 1.00 25.00 C ATOM 2490 C VAL A 164 7.261 15.071 -1.913 1.00 25.00 C ATOM 2491 O VAL A 164 8.132 14.234 -2.108 1.00 25.00 O ATOM 2492 CB VAL A 164 7.352 15.450 0.607 1.00 25.00 C ATOM 2493 CG1 VAL A 164 8.277 14.281 1.144 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.189 16.722 0.386 1.00 75.00 C ATOM 0 H VAL A 164 6.630 12.921 -0.447 1.00 25.00 H new ATOM 0 HA VAL A 164 5.665 15.722 -0.712 1.00 25.00 H new ATOM 0 HB VAL A 164 6.613 15.701 1.368 1.00 25.00 H new ATOM 0 HG11 VAL A 164 8.867 14.642 1.987 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.656 13.445 1.466 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.945 13.951 0.349 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.763 16.940 1.286 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.870 16.568 -0.451 1.00 75.00 H new ATOM 0 HG23 VAL A 164 7.527 17.559 0.166 1.00 75.00 H new ATOM 2504 N ILE A 165 6.983 15.958 -2.842 1.00 25.00 N ATOM 2505 CA ILE A 165 7.848 16.070 -4.009 1.00 25.00 C ATOM 2506 C ILE A 165 7.799 17.547 -4.530 1.00 25.00 C ATOM 2507 O ILE A 165 6.797 18.220 -4.444 1.00 25.00 O ATOM 2508 CB ILE A 165 7.486 15.146 -5.260 1.00 25.00 C ATOM 2509 CG1 ILE A 165 6.465 14.122 -4.928 1.00 25.00 C ATOM 2510 CG2 ILE A 165 8.757 14.427 -5.800 1.00 25.00 C ATOM 2511 CD1 ILE A 165 5.979 13.320 -6.092 1.00 25.00 C ATOM 0 H ILE A 165 6.190 16.599 -2.822 1.00 25.00 H new ATOM 0 HA ILE A 165 8.823 15.741 -3.649 1.00 25.00 H new ATOM 0 HB ILE A 165 7.076 15.808 -6.023 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.881 13.442 -4.185 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.612 14.617 -4.464 1.00 25.00 H new ATOM 0 HG21 ILE A 165 8.488 13.803 -6.652 1.00 25.00 H new ATOM 0 HG22 ILE A 165 9.491 15.170 -6.112 1.00 25.00 H new ATOM 0 HG23 ILE A 165 9.184 13.804 -5.014 1.00 25.00 H new ATOM 0 HD11 ILE A 165 5.236 12.598 -5.752 1.00 25.00 H new ATOM 0 HD12 ILE A 165 5.528 13.985 -6.829 1.00 25.00 H new ATOM 0 HD13 ILE A 165 6.818 12.791 -6.545 1.00 25.00 H new ATOM 2523 N ASP A 166 8.861 18.007 -5.183 1.00 25.00 N ATOM 2524 CA ASP A 166 8.935 19.313 -5.794 1.00 25.00 C ATOM 2525 C ASP A 166 8.470 19.480 -7.233 1.00 25.00 C ATOM 2526 O ASP A 166 8.555 18.599 -8.041 1.00 25.00 O ATOM 2527 CB ASP A 166 10.340 19.838 -5.806 1.00 25.00 C ATOM 2528 CG ASP A 166 10.775 20.276 -4.428 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.876 19.812 -3.940 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.064 21.068 -3.820 1.00 25.00 O1- ATOM 0 H ASP A 166 9.714 17.460 -5.300 1.00 25.00 H new ATOM 0 HA ASP A 166 8.235 19.850 -5.154 1.00 25.00 H new ATOM 0 HB2 ASP A 166 11.016 19.066 -6.174 1.00 25.00 H new ATOM 0 HB3 ASP A 166 10.410 20.679 -6.496 1.00 25.00 H new ATOM 2535 N VAL A 167 8.108 20.685 -7.602 1.00 25.00 N ATOM 2536 CA VAL A 167 7.669 20.940 -8.966 1.00 25.00 C ATOM 2537 C VAL A 167 8.392 22.248 -9.314 1.00 25.00 C ATOM 2538 O VAL A 167 8.918 22.855 -8.394 1.00 25.00 O ATOM 2539 CB VAL A 167 6.119 21.128 -9.058 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.336 19.772 -8.883 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.529 22.076 -7.988 1.00 50.00 C ATOM 0 H VAL A 167 8.106 21.501 -6.990 1.00 25.00 H new ATOM 0 HA VAL A 167 7.895 20.114 -9.641 1.00 25.00 H new ATOM 0 HB VAL A 167 5.989 21.553 -10.053 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.265 19.959 -8.955 1.00 50.00 H new ATOM 0 HG12 VAL A 167 5.636 19.075 -9.665 1.00 50.00 H new ATOM 0 HG13 VAL A 167 5.565 19.343 -7.907 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.450 22.151 -8.123 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.744 21.682 -6.995 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.977 23.064 -8.091 1.00 50.00 H new ATOM 2551 N ASP A 168 8.344 22.625 -10.581 1.00 25.00 N ATOM 2552 CA ASP A 168 8.849 23.948 -10.966 1.00 25.00 C ATOM 2553 C ASP A 168 7.737 24.496 -11.850 1.00 25.00 C ATOM 2554 O ASP A 168 7.334 23.738 -12.769 1.00 25.00 O ATOM 2555 CB ASP A 168 10.179 23.821 -11.708 1.00 25.00 C ATOM 2556 CG ASP A 168 10.672 25.166 -12.197 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.422 25.208 -13.198 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.458 26.221 -11.586 1.00 25.00 O1- ATOM 0 H ASP A 168 7.974 22.060 -11.345 1.00 25.00 H new ATOM 0 HA ASP A 168 9.063 24.604 -10.122 1.00 25.00 H new ATOM 0 HB2 ASP A 168 10.924 23.377 -11.048 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.061 23.145 -12.555 1.00 25.00 H new ATOM 2563 N LEU A 169 7.128 25.629 -11.583 1.00 25.00 N ATOM 2564 CA LEU A 169 5.848 26.042 -12.206 1.00 25.00 C ATOM 2565 C LEU A 169 6.142 27.348 -12.978 1.00 25.00 C ATOM 2566 O LEU A 169 6.706 28.314 -12.440 1.00 25.00 O ATOM 2567 CB LEU A 169 4.767 26.145 -11.140 1.00 25.00 C ATOM 2568 CG LEU A 169 4.464 24.890 -10.246 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.536 25.192 -9.074 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.900 23.695 -11.011 1.00 50.00 C ATOM 0 H LEU A 169 7.496 26.313 -10.921 1.00 25.00 H new ATOM 0 HA LEU A 169 5.455 25.316 -12.917 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.036 26.966 -10.476 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.839 26.428 -11.637 1.00 25.00 H new ATOM 0 HG LEU A 169 5.450 24.621 -9.867 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.369 24.282 -8.498 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.992 25.947 -8.434 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.583 25.563 -9.451 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.719 22.872 -10.319 1.00 50.00 H new ATOM 0 HD22 LEU A 169 2.963 23.979 -11.490 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.615 23.379 -11.771 1.00 50.00 H new ATOM 2582 N VAL A 170 5.920 27.286 -14.281 1.00 25.00 N ATOM 2583 CA VAL A 170 6.357 28.352 -15.206 1.00 25.00 C ATOM 2584 C VAL A 170 5.296 28.709 -16.277 1.00 25.00 C ATOM 2585 O VAL A 170 4.175 28.120 -16.346 1.00 25.00 O ATOM 2586 CB VAL A 170 7.606 27.912 -15.966 1.00 25.00 C ATOM 2587 CG1 VAL A 170 8.786 27.648 -14.932 1.00 50.00 C ATOM 2588 CG2 VAL A 170 7.416 26.607 -16.728 1.00 50.00 C ATOM 0 H VAL A 170 5.439 26.510 -14.736 1.00 25.00 H new ATOM 0 HA VAL A 170 6.539 29.223 -14.577 1.00 25.00 H new ATOM 0 HB VAL A 170 7.825 28.713 -16.672 1.00 25.00 H new ATOM 0 HG11 VAL A 170 9.679 27.334 -15.472 1.00 50.00 H new ATOM 0 HG12 VAL A 170 8.999 28.564 -14.381 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.490 26.865 -14.234 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.340 26.350 -17.246 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.159 25.811 -16.029 1.00 50.00 H new ATOM 0 HG23 VAL A 170 6.613 26.724 -17.455 1.00 50.00 H new ATOM 2598 N ASN A 171 5.650 29.583 -17.183 1.00 25.00 N ATOM 2599 CA ASN A 171 4.648 29.976 -18.220 1.00 25.00 C ATOM 2600 C ASN A 171 4.336 28.907 -19.284 1.00 25.00 C ATOM 2601 O ASN A 171 5.227 28.070 -19.539 1.00 25.00 O ATOM 2602 CB ASN A 171 5.151 31.199 -19.008 1.00 25.00 C ATOM 2603 CG ASN A 171 5.034 32.527 -18.184 1.00 25.00 C ATOM 2604 OD1 ASN A 171 4.665 32.516 -16.999 1.00 25.00 O ATOM 2605 ND2 ASN A 171 5.401 33.607 -18.753 1.00 25.00 N ATOM 0 H ASN A 171 6.563 30.032 -17.251 1.00 25.00 H new ATOM 0 HA ASN A 171 3.743 30.161 -17.641 1.00 25.00 H new ATOM 0 HB2 ASN A 171 6.191 31.042 -19.294 1.00 25.00 H new ATOM 0 HB3 ASN A 171 4.578 31.295 -19.930 1.00 25.00 H new ATOM 0 HD21 ASN A 171 5.395 34.485 -18.233 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.701 33.593 -19.728 1.00 25.00 H new ATOM 2612 N LYS A 172 3.156 28.852 -19.889 1.00 25.00 N ATOM 2613 CA LYS A 172 2.799 27.916 -20.973 1.00 25.00 C ATOM 2614 C LYS A 172 3.658 28.010 -22.221 1.00 25.00 C ATOM 2615 O LYS A 172 4.156 29.108 -22.537 1.00 25.00 O ATOM 2616 CB LYS A 172 1.316 28.071 -21.310 1.00 25.00 C ATOM 2617 CG LYS A 172 0.383 28.014 -20.057 1.00 25.00 C ATOM 2618 CD LYS A 172 -1.065 28.304 -20.430 1.00 25.00 C ATOM 2619 CE LYS A 172 -1.933 28.458 -19.259 1.00 25.00 C ATOM 2620 NZ LYS A 172 -3.331 29.033 -19.663 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 3.891 26.996 -22.910 1.00 25.00 O1- ATOM 0 H LYS A 172 2.388 29.475 -19.637 1.00 25.00 H new ATOM 0 HA LYS A 172 3.002 26.917 -20.587 1.00 25.00 H new ATOM 0 HB2 LYS A 172 1.165 29.021 -21.823 1.00 25.00 H new ATOM 0 HB3 LYS A 172 1.025 27.284 -22.006 1.00 25.00 H new ATOM 0 HG2 LYS A 172 0.451 27.029 -19.595 1.00 25.00 H new ATOM 0 HG3 LYS A 172 0.722 28.738 -19.316 1.00 25.00 H new ATOM 0 HD2 LYS A 172 -1.106 29.214 -21.029 1.00 25.00 H new ATOM 0 HD3 LYS A 172 -1.444 27.494 -21.054 1.00 25.00 H new ATOM 0 HE2 LYS A 172 -2.062 27.493 -18.769 1.00 25.00 H new ATOM 0 HE3 LYS A 172 -1.459 29.122 -18.536 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -3.924 29.131 -18.815 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -3.208 29.964 -20.109 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -3.792 28.386 -20.334 1.00 25.00 H new