USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 832 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 30 THR OG1 : rot 180:sc= -1.79 USER MOD Set 1.2: A 53 MET CE :methyl 173:sc= -7.77! (180deg=-8.11!) USER MOD Set 2.1: A 23 TYR OH : rot -117:sc= 1.64 USER MOD Set 2.2: A 52 TYR OH : rot -46:sc= -2.86! USER MOD Set 3.1: A 18 SER OG : rot 180:sc= -4.74! USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 5 GLN : amide:sc= -23! C(o=-23!,f=-25!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0717 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 87:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 39 GLN :FLIP amide:sc= -1 F(o=-5!,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 120:sc= -0.172 USER MOD Single : A 54 MET CE :methyl 151:sc= -6.72 (180deg=-12.1!) USER MOD Single : A 56 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.9!) USER MOD Single : A 59 THR OG1 : rot 31:sc= 0.395 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 138:sc= 1.34 USER MOD Single : A 73 SER OG : rot 180:sc=0.000242 USER MOD Single : A 75 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.027) USER MOD Single : A 76 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.36) USER MOD Single : A 78 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.3!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.83! C(o=-3.6!,f=-1.8!) USER MOD Single : A 87 MET CE :methyl -137:sc= -0.0726 (180deg=-0.731) USER MOD Single : A 89 THR OG1 : rot 105:sc= 1.02 USER MOD Single : A 92 TYR OH : rot 150:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -105:sc= -2.99 (180deg=-4.87!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.6!) USER MOD Single : A 113 THR OG1 : rot -35:sc= 0.163 USER MOD Single : A 114 GLN : amide:sc= -3.19 K(o=-3.2,f=-7.7!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0194 USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -8.574 5.083 3.045 1.00 0.00 N ATOM 31 CA HIS A 2 -7.918 5.492 1.767 1.00 0.00 C ATOM 32 C HIS A 2 -6.999 4.382 1.260 1.00 0.00 C ATOM 33 O HIS A 2 -6.010 4.633 0.597 1.00 0.00 O ATOM 34 CB HIS A 2 -7.117 6.749 2.108 1.00 0.00 C ATOM 35 CG HIS A 2 -8.058 7.843 2.530 1.00 0.00 C ATOM 36 ND1 HIS A 2 -8.341 8.101 3.862 1.00 0.00 N ATOM 37 CD2 HIS A 2 -8.787 8.755 1.808 1.00 0.00 C ATOM 38 CE1 HIS A 2 -9.207 9.130 3.900 1.00 0.00 C ATOM 39 NE2 HIS A 2 -9.512 9.567 2.675 1.00 0.00 N ATOM 0 HA HIS A 2 -8.644 5.681 0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.408 6.536 2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -6.535 7.068 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -8.796 8.831 0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -9.607 9.552 4.810 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -10.141 10.331 2.428 1.00 0.00 H new ATOM 47 N VAL A 3 -7.327 3.161 1.569 1.00 0.00 N ATOM 48 CA VAL A 3 -6.488 2.011 1.113 1.00 0.00 C ATOM 49 C VAL A 3 -7.373 0.781 0.879 1.00 0.00 C ATOM 50 O VAL A 3 -8.331 0.552 1.593 1.00 0.00 O ATOM 51 CB VAL A 3 -5.499 1.764 2.259 1.00 0.00 C ATOM 52 CG1 VAL A 3 -4.606 0.564 1.930 1.00 0.00 C ATOM 53 CG2 VAL A 3 -4.624 3.005 2.454 1.00 0.00 C ATOM 0 H VAL A 3 -8.145 2.904 2.121 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.973 2.213 0.174 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.057 1.558 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.907 0.396 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.224 -0.323 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.050 0.764 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.921 2.830 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.073 3.209 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.255 3.860 2.697 1.00 0.00 H new ATOM 63 N ALA A 4 -7.051 -0.012 -0.112 1.00 0.00 N ATOM 64 CA ALA A 4 -7.864 -1.233 -0.394 1.00 0.00 C ATOM 65 C ALA A 4 -6.987 -2.482 -0.295 1.00 0.00 C ATOM 66 O ALA A 4 -5.945 -2.569 -0.918 1.00 0.00 O ATOM 67 CB ALA A 4 -8.377 -1.056 -1.819 1.00 0.00 C ATOM 0 H ALA A 4 -6.259 0.134 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.680 -1.355 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.984 -1.917 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.982 -0.151 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.532 -0.973 -2.502 1.00 0.00 H new ATOM 73 N GLN A 5 -7.400 -3.443 0.487 1.00 0.00 N ATOM 74 CA GLN A 5 -6.592 -4.693 0.639 1.00 0.00 C ATOM 75 C GLN A 5 -7.498 -5.937 0.739 1.00 0.00 C ATOM 76 O GLN A 5 -8.411 -5.957 1.540 1.00 0.00 O ATOM 77 CB GLN A 5 -5.824 -4.512 1.952 1.00 0.00 C ATOM 78 CG GLN A 5 -4.720 -3.469 1.775 1.00 0.00 C ATOM 79 CD GLN A 5 -3.641 -4.031 0.849 1.00 0.00 C ATOM 80 OE1 GLN A 5 -3.796 -4.024 -0.354 1.00 0.00 O ATOM 81 NE2 GLN A 5 -2.552 -4.530 1.364 1.00 0.00 N ATOM 0 H GLN A 5 -8.264 -3.418 1.029 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.937 -4.847 -0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.507 -4.200 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.391 -5.463 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.134 -2.552 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.288 -3.211 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.422 -4.536 2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.830 -4.915 0.755 1.00 0.00 H new ATOM 90 N PRO A 6 -7.203 -6.957 -0.046 1.00 0.00 N ATOM 91 CA PRO A 6 -8.000 -8.209 0.023 1.00 0.00 C ATOM 92 C PRO A 6 -7.663 -8.953 1.312 1.00 0.00 C ATOM 93 O PRO A 6 -6.520 -9.007 1.718 1.00 0.00 O ATOM 94 CB PRO A 6 -7.544 -8.999 -1.201 1.00 0.00 C ATOM 95 CG PRO A 6 -6.175 -8.484 -1.508 1.00 0.00 C ATOM 96 CD PRO A 6 -6.129 -7.050 -1.052 1.00 0.00 C ATOM 0 HA PRO A 6 -9.077 -8.043 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.526 -10.069 -0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.220 -8.848 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.417 -9.076 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.967 -8.556 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.159 -6.799 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.299 -6.363 -1.881 1.00 0.00 H new ATOM 104 N ALA A 7 -8.640 -9.523 1.960 1.00 0.00 N ATOM 105 CA ALA A 7 -8.354 -10.263 3.224 1.00 0.00 C ATOM 106 C ALA A 7 -7.577 -11.530 2.913 1.00 0.00 C ATOM 107 O ALA A 7 -6.770 -11.973 3.713 1.00 0.00 O ATOM 108 CB ALA A 7 -9.719 -10.587 3.833 1.00 0.00 C ATOM 0 H ALA A 7 -9.619 -9.510 1.673 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.747 -9.680 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.581 -11.132 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.259 -9.661 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.292 -11.200 3.137 1.00 0.00 H new ATOM 114 N VAL A 8 -7.794 -12.118 1.761 1.00 0.00 N ATOM 115 CA VAL A 8 -7.043 -13.341 1.432 1.00 0.00 C ATOM 116 C VAL A 8 -6.920 -13.525 -0.075 1.00 0.00 C ATOM 117 O VAL A 8 -7.653 -12.949 -0.856 1.00 0.00 O ATOM 118 CB VAL A 8 -7.832 -14.485 2.091 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.063 -14.947 1.281 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.907 -15.670 2.306 1.00 0.00 C ATOM 0 H VAL A 8 -8.453 -11.799 1.051 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.017 -13.304 1.799 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.210 -14.094 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.565 -15.756 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.752 -14.111 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.742 -15.301 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.461 -16.484 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.513 -16.003 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.082 -15.374 2.954 1.00 0.00 H new ATOM 130 N VAL A 9 -6.009 -14.353 -0.461 1.00 0.00 N ATOM 131 CA VAL A 9 -5.800 -14.645 -1.898 1.00 0.00 C ATOM 132 C VAL A 9 -5.477 -16.130 -2.088 1.00 0.00 C ATOM 133 O VAL A 9 -4.922 -16.774 -1.217 1.00 0.00 O ATOM 134 CB VAL A 9 -4.638 -13.735 -2.313 1.00 0.00 C ATOM 135 CG1 VAL A 9 -3.956 -14.232 -3.596 1.00 0.00 C ATOM 136 CG2 VAL A 9 -5.179 -12.333 -2.572 1.00 0.00 C ATOM 0 H VAL A 9 -5.384 -14.854 0.171 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.681 -14.455 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.904 -13.737 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.138 -13.560 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.564 -15.236 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.682 -14.253 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.361 -11.676 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.921 -12.371 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.642 -11.948 -1.664 1.00 0.00 H new ATOM 146 N LEU A 10 -5.813 -16.662 -3.230 1.00 0.00 N ATOM 147 CA LEU A 10 -5.523 -18.097 -3.506 1.00 0.00 C ATOM 148 C LEU A 10 -4.429 -18.186 -4.576 1.00 0.00 C ATOM 149 O LEU A 10 -4.531 -17.583 -5.628 1.00 0.00 O ATOM 150 CB LEU A 10 -6.845 -18.679 -4.017 1.00 0.00 C ATOM 151 CG LEU A 10 -7.933 -18.521 -2.945 1.00 0.00 C ATOM 152 CD1 LEU A 10 -9.270 -19.015 -3.504 1.00 0.00 C ATOM 153 CD2 LEU A 10 -7.566 -19.330 -1.688 1.00 0.00 C ATOM 0 H LEU A 10 -6.278 -16.162 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.167 -18.640 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.147 -18.170 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.717 -19.733 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.015 -17.469 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.045 -18.904 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.536 -18.428 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.182 -20.065 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.346 -19.209 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.474 -20.384 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.618 -18.971 -1.288 1.00 0.00 H new ATOM 165 N ALA A 11 -3.376 -18.915 -4.307 1.00 0.00 N ATOM 166 CA ALA A 11 -2.261 -19.028 -5.296 1.00 0.00 C ATOM 167 C ALA A 11 -2.498 -20.196 -6.259 1.00 0.00 C ATOM 168 O ALA A 11 -3.099 -21.191 -5.908 1.00 0.00 O ATOM 169 CB ALA A 11 -1.011 -19.269 -4.448 1.00 0.00 C ATOM 0 H ALA A 11 -3.240 -19.439 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.173 -18.136 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.142 -19.364 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.865 -18.429 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.134 -20.186 -3.871 1.00 0.00 H new ATOM 175 N SER A 12 -2.027 -20.072 -7.474 1.00 0.00 N ATOM 176 CA SER A 12 -2.214 -21.165 -8.481 1.00 0.00 C ATOM 177 C SER A 12 -1.372 -22.390 -8.107 1.00 0.00 C ATOM 178 O SER A 12 -0.563 -22.345 -7.200 1.00 0.00 O ATOM 179 CB SER A 12 -1.737 -20.576 -9.808 1.00 0.00 C ATOM 180 OG SER A 12 -1.966 -21.517 -10.849 1.00 0.00 O ATOM 0 H SER A 12 -1.518 -19.257 -7.815 1.00 0.00 H new ATOM 0 HA SER A 12 -3.251 -21.497 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.267 -19.647 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.676 -20.331 -9.750 1.00 0.00 H new ATOM 0 HG SER A 12 -1.663 -21.142 -11.702 1.00 0.00 H new ATOM 186 N SER A 13 -1.555 -23.482 -8.810 1.00 0.00 N ATOM 187 CA SER A 13 -0.768 -24.721 -8.506 1.00 0.00 C ATOM 188 C SER A 13 0.729 -24.442 -8.668 1.00 0.00 C ATOM 189 O SER A 13 1.548 -24.947 -7.923 1.00 0.00 O ATOM 190 CB SER A 13 -1.232 -25.756 -9.534 1.00 0.00 C ATOM 191 OG SER A 13 -0.602 -27.001 -9.263 1.00 0.00 O ATOM 0 H SER A 13 -2.216 -23.570 -9.582 1.00 0.00 H new ATOM 0 HA SER A 13 -0.924 -25.068 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.316 -25.867 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.984 -25.421 -10.541 1.00 0.00 H new ATOM 0 HG SER A 13 -0.898 -27.667 -9.918 1.00 0.00 H new ATOM 197 N ARG A 14 1.087 -23.628 -9.629 1.00 0.00 N ATOM 198 CA ARG A 14 2.532 -23.292 -9.845 1.00 0.00 C ATOM 199 C ARG A 14 3.133 -22.696 -8.568 1.00 0.00 C ATOM 200 O ARG A 14 4.328 -22.761 -8.345 1.00 0.00 O ATOM 201 CB ARG A 14 2.542 -22.252 -10.968 1.00 0.00 C ATOM 202 CG ARG A 14 3.987 -21.905 -11.330 1.00 0.00 C ATOM 203 CD ARG A 14 4.623 -23.079 -12.073 1.00 0.00 C ATOM 204 NE ARG A 14 5.989 -22.609 -12.468 1.00 0.00 N ATOM 205 CZ ARG A 14 6.809 -23.381 -13.155 1.00 0.00 C ATOM 206 NH1 ARG A 14 6.465 -24.594 -13.524 1.00 0.00 N ATOM 207 NH2 ARG A 14 7.990 -22.929 -13.476 1.00 0.00 N ATOM 0 H ARG A 14 0.440 -23.179 -10.277 1.00 0.00 H new ATOM 0 HA ARG A 14 3.121 -24.173 -10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.020 -22.641 -11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.010 -21.355 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.012 -21.011 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.555 -21.681 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.681 -23.962 -11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.035 -23.355 -12.948 1.00 0.00 H new ATOM 0 HE ARG A 14 6.292 -21.672 -12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.545 -24.960 -13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.118 -25.170 -14.055 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.270 -21.989 -13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.634 -23.516 -14.007 1.00 0.00 H new ATOM 221 N GLY A 15 2.312 -22.105 -7.739 1.00 0.00 N ATOM 222 CA GLY A 15 2.819 -21.485 -6.484 1.00 0.00 C ATOM 223 C GLY A 15 2.921 -19.972 -6.683 1.00 0.00 C ATOM 224 O GLY A 15 3.707 -19.304 -6.038 1.00 0.00 O ATOM 0 H GLY A 15 1.305 -22.026 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.149 -21.711 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.795 -21.898 -6.227 1.00 0.00 H new ATOM 228 N ILE A 16 2.121 -19.428 -7.569 1.00 0.00 N ATOM 229 CA ILE A 16 2.149 -17.970 -7.817 1.00 0.00 C ATOM 230 C ILE A 16 0.895 -17.305 -7.247 1.00 0.00 C ATOM 231 O ILE A 16 -0.206 -17.485 -7.731 1.00 0.00 O ATOM 232 CB ILE A 16 2.264 -17.806 -9.351 1.00 0.00 C ATOM 233 CG1 ILE A 16 3.721 -18.003 -9.773 1.00 0.00 C ATOM 234 CG2 ILE A 16 1.822 -16.402 -9.799 1.00 0.00 C ATOM 235 CD1 ILE A 16 4.190 -19.434 -9.522 1.00 0.00 C ATOM 0 H ILE A 16 1.446 -19.946 -8.132 1.00 0.00 H new ATOM 0 HA ILE A 16 2.988 -17.482 -7.322 1.00 0.00 H new ATOM 0 HB ILE A 16 1.616 -18.549 -9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.829 -17.764 -10.831 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.357 -17.309 -9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.915 -16.320 -10.882 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.784 -16.238 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.454 -15.652 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.229 -19.536 -9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.106 -19.663 -8.460 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.570 -20.125 -10.093 1.00 0.00 H new ATOM 247 N ALA A 17 1.088 -16.508 -6.243 1.00 0.00 N ATOM 248 CA ALA A 17 -0.045 -15.764 -5.624 1.00 0.00 C ATOM 249 C ALA A 17 0.124 -14.285 -5.953 1.00 0.00 C ATOM 250 O ALA A 17 1.163 -13.704 -5.694 1.00 0.00 O ATOM 251 CB ALA A 17 0.079 -15.997 -4.120 1.00 0.00 C ATOM 0 H ALA A 17 1.997 -16.334 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.020 -16.090 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.727 -15.475 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.013 -17.065 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.039 -15.618 -3.771 1.00 0.00 H new ATOM 257 N SER A 18 -0.869 -13.676 -6.542 1.00 0.00 N ATOM 258 CA SER A 18 -0.737 -12.236 -6.910 1.00 0.00 C ATOM 259 C SER A 18 -1.896 -11.407 -6.360 1.00 0.00 C ATOM 260 O SER A 18 -3.042 -11.813 -6.387 1.00 0.00 O ATOM 261 CB SER A 18 -0.752 -12.222 -8.437 1.00 0.00 C ATOM 262 OG SER A 18 0.337 -12.994 -8.924 1.00 0.00 O ATOM 0 H SER A 18 -1.760 -14.109 -6.783 1.00 0.00 H new ATOM 0 HA SER A 18 0.170 -11.799 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.694 -12.627 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.680 -11.198 -8.804 1.00 0.00 H new ATOM 0 HG SER A 18 0.330 -12.988 -9.904 1.00 0.00 H new ATOM 268 N PHE A 19 -1.592 -10.230 -5.888 1.00 0.00 N ATOM 269 CA PHE A 19 -2.644 -9.322 -5.352 1.00 0.00 C ATOM 270 C PHE A 19 -2.230 -7.877 -5.604 1.00 0.00 C ATOM 271 O PHE A 19 -1.083 -7.597 -5.902 1.00 0.00 O ATOM 272 CB PHE A 19 -2.744 -9.620 -3.854 1.00 0.00 C ATOM 273 CG PHE A 19 -1.406 -9.415 -3.182 1.00 0.00 C ATOM 274 CD1 PHE A 19 -0.493 -10.499 -3.084 1.00 0.00 C ATOM 275 CD2 PHE A 19 -1.064 -8.145 -2.645 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.764 -10.313 -2.449 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.193 -7.959 -2.008 1.00 0.00 C ATOM 278 CZ PHE A 19 1.107 -9.043 -1.911 1.00 0.00 C ATOM 0 H PHE A 19 -0.645 -9.854 -5.851 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.611 -9.474 -5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.490 -8.970 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.080 -10.646 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.754 -11.464 -3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.759 -7.321 -2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.459 -11.136 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.453 -6.994 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.063 -8.902 -1.428 1.00 0.00 H new ATOM 288 N VAL A 20 -3.153 -6.962 -5.508 1.00 0.00 N ATOM 289 CA VAL A 20 -2.811 -5.532 -5.766 1.00 0.00 C ATOM 290 C VAL A 20 -3.324 -4.638 -4.631 1.00 0.00 C ATOM 291 O VAL A 20 -4.500 -4.630 -4.319 1.00 0.00 O ATOM 292 CB VAL A 20 -3.508 -5.201 -7.087 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.239 -3.748 -7.474 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.981 -6.117 -8.197 1.00 0.00 C ATOM 0 H VAL A 20 -4.127 -7.139 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.735 -5.365 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.580 -5.352 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.740 -3.524 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.619 -3.088 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.166 -3.595 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.481 -5.877 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.907 -5.970 -8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.180 -7.156 -7.936 1.00 0.00 H new ATOM 304 N CYS A 21 -2.445 -3.884 -4.017 1.00 0.00 N ATOM 305 CA CYS A 21 -2.869 -2.981 -2.905 1.00 0.00 C ATOM 306 C CYS A 21 -3.018 -1.550 -3.429 1.00 0.00 C ATOM 307 O CYS A 21 -2.047 -0.880 -3.720 1.00 0.00 O ATOM 308 CB CYS A 21 -1.733 -3.069 -1.884 1.00 0.00 C ATOM 309 SG CYS A 21 -2.196 -2.208 -0.356 1.00 0.00 S ATOM 0 H CYS A 21 -1.450 -3.856 -4.240 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.829 -3.263 -2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.509 -4.114 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.827 -2.628 -2.299 1.00 0.00 H new ATOM 314 N GLU A 22 -4.228 -1.078 -3.548 1.00 0.00 N ATOM 315 CA GLU A 22 -4.445 0.306 -4.059 1.00 0.00 C ATOM 316 C GLU A 22 -4.334 1.321 -2.921 1.00 0.00 C ATOM 317 O GLU A 22 -4.797 1.093 -1.819 1.00 0.00 O ATOM 318 CB GLU A 22 -5.845 0.268 -4.677 1.00 0.00 C ATOM 319 CG GLU A 22 -6.293 1.673 -5.092 1.00 0.00 C ATOM 320 CD GLU A 22 -7.420 1.570 -6.124 1.00 0.00 C ATOM 321 OE1 GLU A 22 -7.413 0.620 -6.891 1.00 0.00 O ATOM 322 OE2 GLU A 22 -8.271 2.444 -6.131 1.00 0.00 O ATOM 0 H GLU A 22 -5.078 -1.591 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.699 0.616 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.847 -0.391 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.553 -0.148 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.635 2.229 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.452 2.225 -5.511 1.00 0.00 H new ATOM 329 N TYR A 23 -3.708 2.439 -3.189 1.00 0.00 N ATOM 330 CA TYR A 23 -3.539 3.477 -2.150 1.00 0.00 C ATOM 331 C TYR A 23 -3.970 4.838 -2.708 1.00 0.00 C ATOM 332 O TYR A 23 -4.335 4.961 -3.862 1.00 0.00 O ATOM 333 CB TYR A 23 -2.037 3.445 -1.807 1.00 0.00 C ATOM 334 CG TYR A 23 -1.199 3.989 -2.949 1.00 0.00 C ATOM 335 CD1 TYR A 23 -0.928 5.382 -3.029 1.00 0.00 C ATOM 336 CD2 TYR A 23 -0.671 3.106 -3.928 1.00 0.00 C ATOM 337 CE1 TYR A 23 -0.129 5.891 -4.087 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.125 3.616 -4.989 1.00 0.00 C ATOM 339 CZ TYR A 23 0.397 5.008 -5.067 1.00 0.00 C ATOM 340 OH TYR A 23 1.177 5.503 -6.092 1.00 0.00 O ATOM 0 H TYR A 23 -3.305 2.671 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.148 3.304 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.855 4.033 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.734 2.422 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.330 6.054 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.874 2.047 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.079 6.949 -4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.523 2.945 -5.736 1.00 0.00 H new ATOM 0 HH TYR A 23 0.732 5.340 -6.950 1.00 0.00 H new ATOM 350 N ALA A 24 -3.924 5.847 -1.893 1.00 0.00 N ATOM 351 CA ALA A 24 -4.322 7.211 -2.351 1.00 0.00 C ATOM 352 C ALA A 24 -3.372 8.261 -1.769 1.00 0.00 C ATOM 353 O ALA A 24 -3.002 8.198 -0.611 1.00 0.00 O ATOM 354 CB ALA A 24 -5.738 7.412 -1.812 1.00 0.00 C ATOM 0 H ALA A 24 -3.626 5.790 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.281 7.311 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.103 8.396 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.395 6.644 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.727 7.340 -0.724 1.00 0.00 H new ATOM 360 N SER A 25 -2.979 9.225 -2.562 1.00 0.00 N ATOM 361 CA SER A 25 -2.056 10.284 -2.057 1.00 0.00 C ATOM 362 C SER A 25 -2.654 11.679 -2.306 1.00 0.00 C ATOM 363 O SER A 25 -3.385 11.872 -3.257 1.00 0.00 O ATOM 364 CB SER A 25 -0.768 10.104 -2.858 1.00 0.00 C ATOM 365 OG SER A 25 -0.996 10.492 -4.207 1.00 0.00 O ATOM 0 H SER A 25 -3.258 9.324 -3.538 1.00 0.00 H new ATOM 0 HA SER A 25 -1.884 10.200 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.031 10.706 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.442 9.065 -2.816 1.00 0.00 H new ATOM 0 HG SER A 25 -0.841 11.455 -4.301 1.00 0.00 H new ATOM 371 N PRO A 26 -2.326 12.616 -1.440 1.00 0.00 N ATOM 372 CA PRO A 26 -2.849 13.999 -1.587 1.00 0.00 C ATOM 373 C PRO A 26 -2.224 14.707 -2.799 1.00 0.00 C ATOM 374 O PRO A 26 -2.699 15.743 -3.226 1.00 0.00 O ATOM 375 CB PRO A 26 -2.435 14.683 -0.286 1.00 0.00 C ATOM 376 CG PRO A 26 -1.252 13.908 0.195 1.00 0.00 C ATOM 377 CD PRO A 26 -1.449 12.489 -0.265 1.00 0.00 C ATOM 0 HA PRO A 26 -3.926 14.022 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.180 15.730 -0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.243 14.665 0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.328 14.321 -0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.174 13.955 1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.501 12.018 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.908 11.877 0.512 1.00 0.00 H new ATOM 385 N GLY A 27 -1.162 14.166 -3.351 1.00 0.00 N ATOM 386 CA GLY A 27 -0.512 14.819 -4.526 1.00 0.00 C ATOM 387 C GLY A 27 0.174 13.760 -5.390 1.00 0.00 C ATOM 388 O GLY A 27 -0.006 12.573 -5.193 1.00 0.00 O ATOM 0 H GLY A 27 -0.720 13.302 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.257 15.355 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.218 15.555 -4.188 1.00 0.00 H new ATOM 392 N LYS A 28 0.957 14.184 -6.350 1.00 0.00 N ATOM 393 CA LYS A 28 1.659 13.211 -7.240 1.00 0.00 C ATOM 394 C LYS A 28 3.165 13.215 -6.958 1.00 0.00 C ATOM 395 O LYS A 28 3.791 14.256 -6.890 1.00 0.00 O ATOM 396 CB LYS A 28 1.384 13.706 -8.661 1.00 0.00 C ATOM 397 CG LYS A 28 -0.122 13.675 -8.936 1.00 0.00 C ATOM 398 CD LYS A 28 -0.609 12.225 -8.966 1.00 0.00 C ATOM 399 CE LYS A 28 -2.092 12.193 -9.341 1.00 0.00 C ATOM 400 NZ LYS A 28 -2.432 10.746 -9.438 1.00 0.00 N ATOM 0 H LYS A 28 1.141 15.166 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 28 1.311 12.190 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.765 14.720 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.908 13.079 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.654 14.232 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.338 14.162 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.028 11.650 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.459 11.759 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.701 12.692 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.272 12.705 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.435 10.641 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.841 10.299 -10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.257 10.286 -8.522 1.00 0.00 H new ATOM 414 N ALA A 29 3.747 12.053 -6.805 1.00 0.00 N ATOM 415 CA ALA A 29 5.214 11.968 -6.538 1.00 0.00 C ATOM 416 C ALA A 29 5.815 10.808 -7.335 1.00 0.00 C ATOM 417 O ALA A 29 5.139 9.842 -7.637 1.00 0.00 O ATOM 418 CB ALA A 29 5.333 11.713 -5.037 1.00 0.00 C ATOM 0 H ALA A 29 3.266 11.155 -6.854 1.00 0.00 H new ATOM 0 HA ALA A 29 5.747 12.872 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.385 11.638 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.873 12.537 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.825 10.782 -4.785 1.00 0.00 H new ATOM 424 N THR A 30 7.072 10.900 -7.691 1.00 0.00 N ATOM 425 CA THR A 30 7.707 9.802 -8.487 1.00 0.00 C ATOM 426 C THR A 30 8.106 8.638 -7.593 1.00 0.00 C ATOM 427 O THR A 30 7.952 7.486 -7.945 1.00 0.00 O ATOM 428 CB THR A 30 9.000 10.384 -9.077 1.00 0.00 C ATOM 429 OG1 THR A 30 9.933 10.607 -8.031 1.00 0.00 O ATOM 430 CG2 THR A 30 8.744 11.702 -9.780 1.00 0.00 C ATOM 0 H THR A 30 7.685 11.684 -7.467 1.00 0.00 H new ATOM 0 HA THR A 30 7.008 9.445 -9.243 1.00 0.00 H new ATOM 0 HB THR A 30 9.390 9.669 -9.802 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.760 10.977 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.680 12.086 -10.186 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.032 11.549 -10.591 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.335 12.420 -9.069 1.00 0.00 H new ATOM 438 N GLU A 31 8.681 8.942 -6.467 1.00 0.00 N ATOM 439 CA GLU A 31 9.186 7.864 -5.574 1.00 0.00 C ATOM 440 C GLU A 31 8.079 7.218 -4.746 1.00 0.00 C ATOM 441 O GLU A 31 7.885 7.552 -3.590 1.00 0.00 O ATOM 442 CB GLU A 31 10.180 8.563 -4.641 1.00 0.00 C ATOM 443 CG GLU A 31 11.316 9.194 -5.451 1.00 0.00 C ATOM 444 CD GLU A 31 12.464 8.190 -5.579 1.00 0.00 C ATOM 445 OE1 GLU A 31 12.184 7.016 -5.757 1.00 0.00 O ATOM 446 OE2 GLU A 31 13.606 8.613 -5.496 1.00 0.00 O ATOM 0 H GLU A 31 8.824 9.892 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 31 9.628 7.059 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.667 9.331 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.587 7.845 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.957 9.482 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.666 10.103 -4.962 1.00 0.00 H new ATOM 453 N VAL A 32 7.396 6.250 -5.303 1.00 0.00 N ATOM 454 CA VAL A 32 6.359 5.539 -4.504 1.00 0.00 C ATOM 455 C VAL A 32 7.002 4.259 -3.982 1.00 0.00 C ATOM 456 O VAL A 32 6.988 3.228 -4.633 1.00 0.00 O ATOM 457 CB VAL A 32 5.204 5.228 -5.452 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.079 4.558 -4.657 1.00 0.00 C ATOM 459 CG2 VAL A 32 4.683 6.527 -6.073 1.00 0.00 C ATOM 0 H VAL A 32 7.511 5.926 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 32 5.986 6.123 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 32 5.547 4.564 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.247 4.331 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.449 3.635 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.739 5.231 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.858 6.302 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.334 7.193 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.486 7.012 -6.628 1.00 0.00 H new ATOM 469 N ARG A 33 7.609 4.339 -2.829 1.00 0.00 N ATOM 470 CA ARG A 33 8.310 3.151 -2.256 1.00 0.00 C ATOM 471 C ARG A 33 7.308 2.061 -1.883 1.00 0.00 C ATOM 472 O ARG A 33 6.407 2.287 -1.100 1.00 0.00 O ATOM 473 CB ARG A 33 9.019 3.685 -1.004 1.00 0.00 C ATOM 474 CG ARG A 33 10.013 2.644 -0.487 1.00 0.00 C ATOM 475 CD ARG A 33 9.305 1.681 0.470 1.00 0.00 C ATOM 476 NE ARG A 33 9.778 2.067 1.835 1.00 0.00 N ATOM 477 CZ ARG A 33 10.950 1.675 2.295 1.00 0.00 C ATOM 478 NH1 ARG A 33 11.773 0.957 1.565 1.00 0.00 N ATOM 479 NH2 ARG A 33 11.305 2.016 3.504 1.00 0.00 N ATOM 0 H ARG A 33 7.650 5.181 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 33 9.005 2.701 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.540 4.613 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.286 3.917 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.442 2.091 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.838 3.139 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.222 1.770 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.557 0.645 0.244 1.00 0.00 H new ATOM 0 HE ARG A 33 9.180 2.647 2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.512 0.689 0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.674 0.668 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.679 2.579 4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.209 1.720 3.873 1.00 0.00 H new ATOM 493 N VAL A 34 7.470 0.872 -2.420 1.00 0.00 N ATOM 494 CA VAL A 34 6.535 -0.231 -2.072 1.00 0.00 C ATOM 495 C VAL A 34 7.289 -1.385 -1.400 1.00 0.00 C ATOM 496 O VAL A 34 8.345 -1.795 -1.844 1.00 0.00 O ATOM 497 CB VAL A 34 5.889 -0.685 -3.381 1.00 0.00 C ATOM 498 CG1 VAL A 34 5.058 0.462 -3.957 1.00 0.00 C ATOM 499 CG2 VAL A 34 6.956 -1.094 -4.402 1.00 0.00 C ATOM 0 H VAL A 34 8.208 0.626 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 34 5.777 0.103 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 34 5.254 -1.546 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.595 0.143 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.282 0.742 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.704 1.320 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.473 -1.413 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.607 -0.244 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.548 -1.916 -4.000 1.00 0.00 H new ATOM 509 N THR A 35 6.751 -1.908 -0.329 1.00 0.00 N ATOM 510 CA THR A 35 7.425 -3.039 0.379 1.00 0.00 C ATOM 511 C THR A 35 6.402 -4.130 0.719 1.00 0.00 C ATOM 512 O THR A 35 5.204 -3.889 0.764 1.00 0.00 O ATOM 513 CB THR A 35 8.035 -2.436 1.656 1.00 0.00 C ATOM 514 OG1 THR A 35 8.966 -1.424 1.299 1.00 0.00 O ATOM 515 CG2 THR A 35 8.757 -3.529 2.452 1.00 0.00 C ATOM 0 H THR A 35 5.872 -1.601 0.087 1.00 0.00 H new ATOM 0 HA THR A 35 8.194 -3.505 -0.237 1.00 0.00 H new ATOM 0 HB THR A 35 7.241 -2.009 2.268 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.355 -1.037 2.111 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.187 -3.097 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.047 -4.309 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.551 -3.959 1.842 1.00 0.00 H new ATOM 523 N VAL A 36 6.875 -5.325 0.957 1.00 0.00 N ATOM 524 CA VAL A 36 5.962 -6.450 1.305 1.00 0.00 C ATOM 525 C VAL A 36 6.476 -7.125 2.585 1.00 0.00 C ATOM 526 O VAL A 36 7.671 -7.273 2.755 1.00 0.00 O ATOM 527 CB VAL A 36 6.028 -7.398 0.102 1.00 0.00 C ATOM 528 CG1 VAL A 36 5.168 -8.637 0.370 1.00 0.00 C ATOM 529 CG2 VAL A 36 5.503 -6.673 -1.144 1.00 0.00 C ATOM 0 H VAL A 36 7.864 -5.570 0.924 1.00 0.00 H new ATOM 0 HA VAL A 36 4.936 -6.136 1.496 1.00 0.00 H new ATOM 0 HB VAL A 36 7.061 -7.706 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.218 -9.307 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.539 -9.153 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.134 -8.334 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.548 -7.344 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.470 -6.366 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.117 -5.793 -1.339 1.00 0.00 H new ATOM 539 N LEU A 37 5.610 -7.508 3.509 1.00 0.00 N ATOM 540 CA LEU A 37 6.125 -8.142 4.765 1.00 0.00 C ATOM 541 C LEU A 37 5.380 -9.432 5.091 1.00 0.00 C ATOM 542 O LEU A 37 4.358 -9.738 4.519 1.00 0.00 O ATOM 543 CB LEU A 37 5.835 -7.139 5.884 1.00 0.00 C ATOM 544 CG LEU A 37 6.530 -5.803 5.622 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.669 -4.667 6.200 1.00 0.00 C ATOM 546 CD2 LEU A 37 7.913 -5.804 6.294 1.00 0.00 C ATOM 0 H LEU A 37 4.597 -7.410 3.446 1.00 0.00 H new ATOM 0 HA LEU A 37 7.182 -8.383 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.759 -6.983 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.172 -7.546 6.837 1.00 0.00 H new ATOM 0 HG LEU A 37 6.655 -5.655 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.158 -3.710 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.690 -4.672 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.547 -4.813 7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.409 -4.851 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.796 -5.948 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.516 -6.614 5.884 1.00 0.00 H new ATOM 558 N ARG A 38 5.873 -10.152 6.061 1.00 0.00 N ATOM 559 CA ARG A 38 5.194 -11.401 6.513 1.00 0.00 C ATOM 560 C ARG A 38 4.957 -11.296 8.018 1.00 0.00 C ATOM 561 O ARG A 38 5.897 -11.180 8.784 1.00 0.00 O ATOM 562 CB ARG A 38 6.166 -12.541 6.205 1.00 0.00 C ATOM 563 CG ARG A 38 6.217 -12.773 4.697 1.00 0.00 C ATOM 564 CD ARG A 38 7.270 -13.837 4.378 1.00 0.00 C ATOM 565 NE ARG A 38 7.445 -13.784 2.892 1.00 0.00 N ATOM 566 CZ ARG A 38 8.067 -14.747 2.239 1.00 0.00 C ATOM 567 NH1 ARG A 38 8.554 -15.797 2.860 1.00 0.00 N ATOM 568 NH2 ARG A 38 8.201 -14.654 0.944 1.00 0.00 N ATOM 0 H ARG A 38 6.729 -9.925 6.567 1.00 0.00 H new ATOM 0 HA ARG A 38 4.236 -11.566 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.160 -12.297 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.848 -13.451 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.240 -13.093 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.458 -11.842 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.208 -13.629 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.942 -14.825 4.701 1.00 0.00 H new ATOM 0 HE ARG A 38 7.076 -12.987 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.456 -15.882 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.030 -16.527 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.827 -13.844 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.680 -15.391 0.427 1.00 0.00 H new ATOM 582 N GLN A 39 3.722 -11.320 8.456 1.00 0.00 N ATOM 583 CA GLN A 39 3.467 -11.203 9.926 1.00 0.00 C ATOM 584 C GLN A 39 3.157 -12.562 10.547 1.00 0.00 C ATOM 585 O GLN A 39 2.279 -13.281 10.112 1.00 0.00 O ATOM 586 CB GLN A 39 2.284 -10.246 10.069 1.00 0.00 C ATOM 587 CG GLN A 39 2.749 -8.820 9.759 1.00 0.00 C ATOM 588 CD GLN A 39 1.536 -7.895 9.624 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.534 -8.251 8.867 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 1.502 -6.833 10.214 1.00 0.00 N flip ATOM 0 H GLN A 39 2.892 -11.414 7.871 1.00 0.00 H new ATOM 0 HA GLN A 39 4.346 -10.830 10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.482 -10.536 9.390 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.879 -10.298 11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.405 -8.461 10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.330 -8.810 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.284 -6.553 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.691 -6.222 10.117 1.00 0.00 H new ATOM 599 N ALA A 40 3.890 -12.905 11.572 1.00 0.00 N ATOM 600 CA ALA A 40 3.681 -14.206 12.265 1.00 0.00 C ATOM 601 C ALA A 40 2.801 -14.000 13.500 1.00 0.00 C ATOM 602 O ALA A 40 2.254 -12.932 13.708 1.00 0.00 O ATOM 603 CB ALA A 40 5.086 -14.661 12.665 1.00 0.00 C ATOM 0 H ALA A 40 4.635 -12.329 11.963 1.00 0.00 H new ATOM 0 HA ALA A 40 3.179 -14.944 11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.025 -15.617 13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.701 -14.772 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.535 -13.918 13.324 1.00 0.00 H new ATOM 609 N ASP A 41 2.658 -15.012 14.317 1.00 0.00 N ATOM 610 CA ASP A 41 1.804 -14.877 15.538 1.00 0.00 C ATOM 611 C ASP A 41 2.332 -13.770 16.459 1.00 0.00 C ATOM 612 O ASP A 41 1.568 -12.978 16.979 1.00 0.00 O ATOM 613 CB ASP A 41 1.884 -16.231 16.237 1.00 0.00 C ATOM 614 CG ASP A 41 1.095 -17.277 15.443 1.00 0.00 C ATOM 615 OD1 ASP A 41 0.152 -16.898 14.766 1.00 0.00 O ATOM 616 OD2 ASP A 41 1.447 -18.442 15.526 1.00 0.00 O ATOM 0 H ASP A 41 3.095 -15.925 14.193 1.00 0.00 H new ATOM 0 HA ASP A 41 0.780 -14.606 15.281 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.925 -16.541 16.329 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.484 -16.152 17.248 1.00 0.00 H new ATOM 621 N SER A 42 3.624 -13.712 16.670 1.00 0.00 N ATOM 622 CA SER A 42 4.189 -12.655 17.569 1.00 0.00 C ATOM 623 C SER A 42 5.390 -11.939 16.930 1.00 0.00 C ATOM 624 O SER A 42 5.969 -11.054 17.532 1.00 0.00 O ATOM 625 CB SER A 42 4.626 -13.406 18.825 1.00 0.00 C ATOM 626 OG SER A 42 5.603 -14.378 18.474 1.00 0.00 O ATOM 0 H SER A 42 4.310 -14.347 16.261 1.00 0.00 H new ATOM 0 HA SER A 42 3.454 -11.876 17.775 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.036 -12.709 19.556 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.767 -13.889 19.292 1.00 0.00 H new ATOM 0 HG SER A 42 5.887 -14.861 19.278 1.00 0.00 H new ATOM 632 N GLN A 43 5.778 -12.309 15.730 1.00 0.00 N ATOM 633 CA GLN A 43 6.947 -11.634 15.084 1.00 0.00 C ATOM 634 C GLN A 43 6.645 -11.297 13.624 1.00 0.00 C ATOM 635 O GLN A 43 5.815 -11.919 12.991 1.00 0.00 O ATOM 636 CB GLN A 43 8.088 -12.647 15.174 1.00 0.00 C ATOM 637 CG GLN A 43 8.529 -12.785 16.631 1.00 0.00 C ATOM 638 CD GLN A 43 9.603 -13.869 16.740 1.00 0.00 C ATOM 639 OE1 GLN A 43 10.725 -13.674 16.316 1.00 0.00 O ATOM 640 NE2 GLN A 43 9.305 -15.011 17.295 1.00 0.00 N ATOM 0 H GLN A 43 5.338 -13.044 15.175 1.00 0.00 H new ATOM 0 HA GLN A 43 7.192 -10.692 15.574 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.763 -13.613 14.788 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.927 -12.323 14.558 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.919 -11.834 16.995 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.675 -13.041 17.258 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.363 -15.175 17.651 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.014 -15.740 17.373 1.00 0.00 H new ATOM 649 N VAL A 44 7.322 -10.314 13.087 1.00 0.00 N ATOM 650 CA VAL A 44 7.092 -9.923 11.663 1.00 0.00 C ATOM 651 C VAL A 44 8.440 -9.695 10.967 1.00 0.00 C ATOM 652 O VAL A 44 9.354 -9.138 11.544 1.00 0.00 O ATOM 653 CB VAL A 44 6.291 -8.617 11.727 1.00 0.00 C ATOM 654 CG1 VAL A 44 5.972 -8.140 10.309 1.00 0.00 C ATOM 655 CG2 VAL A 44 4.982 -8.846 12.492 1.00 0.00 C ATOM 0 H VAL A 44 8.027 -9.763 13.576 1.00 0.00 H new ATOM 0 HA VAL A 44 6.561 -10.691 11.101 1.00 0.00 H new ATOM 0 HB VAL A 44 6.883 -7.861 12.242 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.403 -7.212 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.901 -7.968 9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.385 -8.900 9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.417 -7.915 12.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.391 -9.606 11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.206 -9.180 13.505 1.00 0.00 H new ATOM 665 N THR A 45 8.571 -10.128 9.737 1.00 0.00 N ATOM 666 CA THR A 45 9.869 -9.941 9.007 1.00 0.00 C ATOM 667 C THR A 45 9.643 -9.255 7.652 1.00 0.00 C ATOM 668 O THR A 45 8.551 -9.259 7.117 1.00 0.00 O ATOM 669 CB THR A 45 10.428 -11.353 8.803 1.00 0.00 C ATOM 670 OG1 THR A 45 9.549 -12.092 7.967 1.00 0.00 O ATOM 671 CG2 THR A 45 10.573 -12.061 10.153 1.00 0.00 C ATOM 0 H THR A 45 7.840 -10.601 9.206 1.00 0.00 H new ATOM 0 HA THR A 45 10.555 -9.306 9.568 1.00 0.00 H new ATOM 0 HB THR A 45 11.409 -11.286 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.906 -12.995 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.971 -13.064 9.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.254 -11.495 10.789 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.598 -12.129 10.635 1.00 0.00 H new ATOM 679 N GLU A 46 10.680 -8.674 7.096 1.00 0.00 N ATOM 680 CA GLU A 46 10.549 -7.983 5.774 1.00 0.00 C ATOM 681 C GLU A 46 10.740 -8.974 4.623 1.00 0.00 C ATOM 682 O GLU A 46 11.299 -10.041 4.794 1.00 0.00 O ATOM 683 CB GLU A 46 11.653 -6.924 5.757 1.00 0.00 C ATOM 684 CG GLU A 46 11.287 -5.790 6.718 1.00 0.00 C ATOM 685 CD GLU A 46 12.503 -4.885 6.932 1.00 0.00 C ATOM 686 OE1 GLU A 46 13.613 -5.393 6.893 1.00 0.00 O ATOM 687 OE2 GLU A 46 12.304 -3.698 7.135 1.00 0.00 O ATOM 0 H GLU A 46 11.615 -8.649 7.503 1.00 0.00 H new ATOM 0 HA GLU A 46 9.560 -7.542 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.604 -7.370 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.781 -6.533 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.457 -5.211 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.955 -6.201 7.671 1.00 0.00 H new ATOM 694 N VAL A 47 10.268 -8.622 3.454 1.00 0.00 N ATOM 695 CA VAL A 47 10.402 -9.533 2.279 1.00 0.00 C ATOM 696 C VAL A 47 11.132 -8.817 1.132 1.00 0.00 C ATOM 697 O VAL A 47 12.268 -9.124 0.825 1.00 0.00 O ATOM 698 CB VAL A 47 8.958 -9.871 1.889 1.00 0.00 C ATOM 699 CG1 VAL A 47 8.937 -10.793 0.680 1.00 0.00 C ATOM 700 CG2 VAL A 47 8.261 -10.573 3.050 1.00 0.00 C ATOM 0 H VAL A 47 9.794 -7.739 3.263 1.00 0.00 H new ATOM 0 HA VAL A 47 10.983 -10.427 2.502 1.00 0.00 H new ATOM 0 HB VAL A 47 8.441 -8.942 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.905 -11.023 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.426 -10.301 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.466 -11.716 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.235 -10.811 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.794 -11.493 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.255 -9.917 3.921 1.00 0.00 H new ATOM 710 N CYS A 48 10.487 -7.866 0.498 1.00 0.00 N ATOM 711 CA CYS A 48 11.142 -7.129 -0.628 1.00 0.00 C ATOM 712 C CYS A 48 10.654 -5.677 -0.666 1.00 0.00 C ATOM 713 O CYS A 48 9.569 -5.369 -0.210 1.00 0.00 O ATOM 714 CB CYS A 48 10.715 -7.883 -1.889 1.00 0.00 C ATOM 715 SG CYS A 48 11.388 -9.564 -1.839 1.00 0.00 S ATOM 0 H CYS A 48 9.535 -7.569 0.712 1.00 0.00 H new ATOM 0 HA CYS A 48 12.227 -7.090 -0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.628 -7.916 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.073 -7.362 -2.777 1.00 0.00 H new ATOM 720 N ALA A 49 11.455 -4.782 -1.194 1.00 0.00 N ATOM 721 CA ALA A 49 11.042 -3.345 -1.247 1.00 0.00 C ATOM 722 C ALA A 49 11.657 -2.633 -2.462 1.00 0.00 C ATOM 723 O ALA A 49 12.741 -2.961 -2.906 1.00 0.00 O ATOM 724 CB ALA A 49 11.581 -2.748 0.054 1.00 0.00 C ATOM 0 H ALA A 49 12.373 -4.984 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 49 9.962 -3.233 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.324 -1.690 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.139 -3.268 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.665 -2.860 0.084 1.00 0.00 H new ATOM 730 N ALA A 50 10.967 -1.652 -2.990 1.00 0.00 N ATOM 731 CA ALA A 50 11.489 -0.891 -4.170 1.00 0.00 C ATOM 732 C ALA A 50 10.605 0.335 -4.425 1.00 0.00 C ATOM 733 O ALA A 50 9.447 0.349 -4.055 1.00 0.00 O ATOM 734 CB ALA A 50 11.397 -1.864 -5.347 1.00 0.00 C ATOM 0 H ALA A 50 10.056 -1.342 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 50 12.508 -0.535 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.763 -1.377 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.003 -2.745 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.359 -2.164 -5.491 1.00 0.00 H new ATOM 740 N THR A 51 11.130 1.360 -5.059 1.00 0.00 N ATOM 741 CA THR A 51 10.293 2.568 -5.336 1.00 0.00 C ATOM 742 C THR A 51 10.144 2.741 -6.841 1.00 0.00 C ATOM 743 O THR A 51 11.131 2.874 -7.545 1.00 0.00 O ATOM 744 CB THR A 51 11.066 3.765 -4.767 1.00 0.00 C ATOM 745 OG1 THR A 51 11.665 3.401 -3.530 1.00 0.00 O ATOM 746 CG2 THR A 51 10.090 4.913 -4.516 1.00 0.00 C ATOM 0 H THR A 51 12.093 1.410 -5.393 1.00 0.00 H new ATOM 0 HA THR A 51 9.302 2.480 -4.892 1.00 0.00 H new ATOM 0 HB THR A 51 11.836 4.069 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.638 3.501 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.631 5.768 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.612 5.196 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.329 4.595 -3.803 1.00 0.00 H new ATOM 754 N TYR A 52 8.936 2.771 -7.347 1.00 0.00 N ATOM 755 CA TYR A 52 8.781 2.972 -8.815 1.00 0.00 C ATOM 756 C TYR A 52 8.580 4.450 -9.101 1.00 0.00 C ATOM 757 O TYR A 52 7.699 5.092 -8.553 1.00 0.00 O ATOM 758 CB TYR A 52 7.586 2.127 -9.279 1.00 0.00 C ATOM 759 CG TYR A 52 6.293 2.550 -8.625 1.00 0.00 C ATOM 760 CD1 TYR A 52 5.473 3.530 -9.244 1.00 0.00 C ATOM 761 CD2 TYR A 52 5.871 1.931 -7.417 1.00 0.00 C ATOM 762 CE1 TYR A 52 4.232 3.893 -8.657 1.00 0.00 C ATOM 763 CE2 TYR A 52 4.633 2.299 -6.826 1.00 0.00 C ATOM 764 CZ TYR A 52 3.812 3.278 -7.447 1.00 0.00 C ATOM 765 OH TYR A 52 2.605 3.627 -6.880 1.00 0.00 O ATOM 0 H TYR A 52 8.070 2.667 -6.819 1.00 0.00 H new ATOM 0 HA TYR A 52 9.670 2.655 -9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.486 2.208 -10.361 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.777 1.078 -9.054 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.793 4.000 -10.162 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.491 1.181 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.608 4.636 -9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.316 1.834 -5.904 1.00 0.00 H new ATOM 0 HH TYR A 52 2.519 4.603 -6.869 1.00 0.00 H new ATOM 775 N MET A 53 9.419 4.999 -9.945 1.00 0.00 N ATOM 776 CA MET A 53 9.311 6.448 -10.278 1.00 0.00 C ATOM 777 C MET A 53 7.943 6.716 -10.905 1.00 0.00 C ATOM 778 O MET A 53 7.265 7.656 -10.556 1.00 0.00 O ATOM 779 CB MET A 53 10.428 6.714 -11.290 1.00 0.00 C ATOM 780 CG MET A 53 11.786 6.396 -10.655 1.00 0.00 C ATOM 781 SD MET A 53 12.561 7.923 -10.072 1.00 0.00 S ATOM 782 CE MET A 53 11.614 8.111 -8.539 1.00 0.00 C ATOM 0 H MET A 53 10.175 4.503 -10.417 1.00 0.00 H new ATOM 0 HA MET A 53 9.407 7.091 -9.403 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.279 6.102 -12.180 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.401 7.755 -11.611 1.00 0.00 H new ATOM 0 HG2 MET A 53 11.656 5.703 -9.824 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.432 5.904 -11.382 1.00 0.00 H new ATOM 0 HE1 MET A 53 12.024 8.936 -7.957 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.571 8.319 -8.779 1.00 0.00 H new ATOM 0 HE3 MET A 53 11.676 7.191 -7.958 1.00 0.00 H new ATOM 792 N MET A 54 7.538 5.857 -11.820 1.00 0.00 N ATOM 793 CA MET A 54 6.200 5.971 -12.507 1.00 0.00 C ATOM 794 C MET A 54 6.179 5.046 -13.726 1.00 0.00 C ATOM 795 O MET A 54 6.746 5.354 -14.758 1.00 0.00 O ATOM 796 CB MET A 54 6.021 7.436 -12.947 1.00 0.00 C ATOM 797 CG MET A 54 4.971 8.111 -12.053 1.00 0.00 C ATOM 798 SD MET A 54 3.947 6.842 -11.258 1.00 0.00 S ATOM 799 CE MET A 54 4.843 6.746 -9.684 1.00 0.00 C ATOM 0 H MET A 54 8.095 5.060 -12.128 1.00 0.00 H new ATOM 0 HA MET A 54 5.391 5.681 -11.837 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.970 7.967 -12.877 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.708 7.479 -13.990 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.462 8.724 -11.297 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.346 8.778 -12.647 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.155 6.454 -8.891 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.640 6.007 -9.763 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.274 7.720 -9.450 1.00 0.00 H new ATOM 809 N GLY A 55 5.530 3.914 -13.613 1.00 0.00 N ATOM 810 CA GLY A 55 5.470 2.962 -14.761 1.00 0.00 C ATOM 811 C GLY A 55 6.837 2.301 -14.952 1.00 0.00 C ATOM 812 O GLY A 55 7.232 1.982 -16.058 1.00 0.00 O ATOM 0 H GLY A 55 5.039 3.609 -12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.710 2.202 -14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.180 3.490 -15.669 1.00 0.00 H new ATOM 816 N ASN A 56 7.563 2.095 -13.881 1.00 0.00 N ATOM 817 CA ASN A 56 8.909 1.455 -13.992 1.00 0.00 C ATOM 818 C ASN A 56 8.952 0.154 -13.184 1.00 0.00 C ATOM 819 O ASN A 56 8.150 -0.062 -12.296 1.00 0.00 O ATOM 820 CB ASN A 56 9.890 2.478 -13.413 1.00 0.00 C ATOM 821 CG ASN A 56 10.009 3.683 -14.355 1.00 0.00 C ATOM 822 OD1 ASN A 56 9.419 3.706 -15.419 1.00 0.00 O ATOM 823 ND2 ASN A 56 10.764 4.689 -14.009 1.00 0.00 N ATOM 0 H ASN A 56 7.280 2.343 -12.933 1.00 0.00 H new ATOM 0 HA ASN A 56 9.153 1.195 -15.022 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.549 2.806 -12.431 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.868 2.017 -13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.859 5.493 -14.630 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.259 4.672 -13.118 1.00 0.00 H new ATOM 830 N GLU A 57 9.885 -0.711 -13.493 1.00 0.00 N ATOM 831 CA GLU A 57 9.992 -2.007 -12.753 1.00 0.00 C ATOM 832 C GLU A 57 10.493 -1.767 -11.326 1.00 0.00 C ATOM 833 O GLU A 57 11.207 -0.818 -11.060 1.00 0.00 O ATOM 834 CB GLU A 57 11.002 -2.848 -13.541 1.00 0.00 C ATOM 835 CG GLU A 57 10.390 -3.275 -14.880 1.00 0.00 C ATOM 836 CD GLU A 57 10.720 -2.242 -15.962 1.00 0.00 C ATOM 837 OE1 GLU A 57 11.763 -1.616 -15.861 1.00 0.00 O ATOM 838 OE2 GLU A 57 9.925 -2.097 -16.876 1.00 0.00 O ATOM 0 H GLU A 57 10.579 -0.576 -14.228 1.00 0.00 H new ATOM 0 HA GLU A 57 9.027 -2.507 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.912 -2.273 -13.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.286 -3.728 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.775 -4.253 -15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.309 -3.375 -14.779 1.00 0.00 H new ATOM 845 N LEU A 58 10.120 -2.623 -10.408 1.00 0.00 N ATOM 846 CA LEU A 58 10.562 -2.459 -8.993 1.00 0.00 C ATOM 847 C LEU A 58 11.879 -3.200 -8.758 1.00 0.00 C ATOM 848 O LEU A 58 11.980 -4.390 -8.991 1.00 0.00 O ATOM 849 CB LEU A 58 9.445 -3.097 -8.165 1.00 0.00 C ATOM 850 CG LEU A 58 8.150 -2.309 -8.356 1.00 0.00 C ATOM 851 CD1 LEU A 58 6.992 -3.063 -7.700 1.00 0.00 C ATOM 852 CD2 LEU A 58 8.293 -0.934 -7.705 1.00 0.00 C ATOM 0 H LEU A 58 9.525 -3.433 -10.581 1.00 0.00 H new ATOM 0 HA LEU A 58 10.733 -1.415 -8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.300 -4.134 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.722 -3.110 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 58 7.950 -2.191 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.068 -2.501 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.890 -4.046 -8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.191 -3.181 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.370 -0.370 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.492 -1.055 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.119 -0.395 -8.170 1.00 0.00 H new ATOM 864 N THR A 59 12.886 -2.506 -8.292 1.00 0.00 N ATOM 865 CA THR A 59 14.191 -3.154 -8.029 1.00 0.00 C ATOM 866 C THR A 59 14.251 -3.619 -6.573 1.00 0.00 C ATOM 867 O THR A 59 13.925 -2.875 -5.666 1.00 0.00 O ATOM 868 CB THR A 59 15.205 -2.046 -8.285 1.00 0.00 C ATOM 869 OG1 THR A 59 14.897 -0.927 -7.465 1.00 0.00 O ATOM 870 CG2 THR A 59 15.163 -1.635 -9.758 1.00 0.00 C ATOM 0 H THR A 59 12.852 -1.508 -8.083 1.00 0.00 H new ATOM 0 HA THR A 59 14.371 -4.033 -8.648 1.00 0.00 H new ATOM 0 HB THR A 59 16.205 -2.408 -8.046 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.485 -1.236 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.890 -0.842 -9.935 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.404 -2.495 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.165 -1.274 -10.007 1.00 0.00 H new ATOM 878 N PHE A 60 14.656 -4.840 -6.342 1.00 0.00 N ATOM 879 CA PHE A 60 14.727 -5.352 -4.942 1.00 0.00 C ATOM 880 C PHE A 60 16.182 -5.618 -4.545 1.00 0.00 C ATOM 881 O PHE A 60 16.884 -6.370 -5.195 1.00 0.00 O ATOM 882 CB PHE A 60 13.926 -6.657 -4.960 1.00 0.00 C ATOM 883 CG PHE A 60 12.484 -6.367 -5.316 1.00 0.00 C ATOM 884 CD1 PHE A 60 11.669 -5.611 -4.431 1.00 0.00 C ATOM 885 CD2 PHE A 60 11.941 -6.856 -6.537 1.00 0.00 C ATOM 886 CE1 PHE A 60 10.312 -5.344 -4.765 1.00 0.00 C ATOM 887 CE2 PHE A 60 10.586 -6.588 -6.870 1.00 0.00 C ATOM 888 CZ PHE A 60 9.772 -5.833 -5.985 1.00 0.00 C ATOM 0 H PHE A 60 14.940 -5.504 -7.062 1.00 0.00 H new ATOM 0 HA PHE A 60 14.330 -4.638 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 60 14.357 -7.349 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.979 -7.141 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.080 -5.239 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.559 -7.431 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.693 -4.770 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.175 -6.959 -7.797 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.742 -5.630 -6.239 1.00 0.00 H new ATOM 898 N LEU A 61 16.635 -5.013 -3.474 1.00 0.00 N ATOM 899 CA LEU A 61 18.046 -5.232 -3.020 1.00 0.00 C ATOM 900 C LEU A 61 18.263 -6.713 -2.698 1.00 0.00 C ATOM 901 O LEU A 61 19.321 -7.264 -2.938 1.00 0.00 O ATOM 902 CB LEU A 61 18.202 -4.381 -1.757 1.00 0.00 C ATOM 903 CG LEU A 61 18.194 -2.897 -2.131 1.00 0.00 C ATOM 904 CD1 LEU A 61 18.237 -2.051 -0.857 1.00 0.00 C ATOM 905 CD2 LEU A 61 19.418 -2.578 -2.992 1.00 0.00 C ATOM 0 H LEU A 61 16.089 -4.376 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 61 18.774 -4.956 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.391 -4.595 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.133 -4.633 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 61 17.287 -2.670 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.231 -0.994 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.366 -2.276 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.145 -2.280 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.411 -1.521 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.326 -2.805 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.391 -3.180 -3.900 1.00 0.00 H new ATOM 917 N ASP A 62 17.261 -7.353 -2.157 1.00 0.00 N ATOM 918 CA ASP A 62 17.377 -8.800 -1.815 1.00 0.00 C ATOM 919 C ASP A 62 16.068 -9.517 -2.157 1.00 0.00 C ATOM 920 O ASP A 62 15.100 -8.893 -2.550 1.00 0.00 O ATOM 921 CB ASP A 62 17.651 -8.832 -0.305 1.00 0.00 C ATOM 922 CG ASP A 62 16.484 -8.191 0.456 1.00 0.00 C ATOM 923 OD1 ASP A 62 16.185 -7.041 0.183 1.00 0.00 O ATOM 924 OD2 ASP A 62 15.911 -8.864 1.298 1.00 0.00 O ATOM 0 H ASP A 62 16.359 -6.931 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 62 18.167 -9.304 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 62 17.789 -9.861 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 62 18.576 -8.299 -0.084 1.00 0.00 H new ATOM 929 N ASP A 63 16.029 -10.823 -2.024 1.00 0.00 N ATOM 930 CA ASP A 63 14.778 -11.587 -2.350 1.00 0.00 C ATOM 931 C ASP A 63 14.288 -11.234 -3.761 1.00 0.00 C ATOM 932 O ASP A 63 13.139 -10.893 -3.965 1.00 0.00 O ATOM 933 CB ASP A 63 13.749 -11.159 -1.301 1.00 0.00 C ATOM 934 CG ASP A 63 14.153 -11.699 0.075 1.00 0.00 C ATOM 935 OD1 ASP A 63 14.808 -12.729 0.122 1.00 0.00 O ATOM 936 OD2 ASP A 63 13.797 -11.075 1.061 1.00 0.00 O ATOM 0 H ASP A 63 16.810 -11.395 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 63 14.946 -12.664 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.680 -10.072 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.762 -11.533 -1.573 1.00 0.00 H new ATOM 941 N SER A 64 15.164 -11.310 -4.731 1.00 0.00 N ATOM 942 CA SER A 64 14.781 -10.977 -6.143 1.00 0.00 C ATOM 943 C SER A 64 13.535 -11.758 -6.584 1.00 0.00 C ATOM 944 O SER A 64 12.843 -11.362 -7.504 1.00 0.00 O ATOM 945 CB SER A 64 15.987 -11.384 -6.991 1.00 0.00 C ATOM 946 OG SER A 64 17.105 -10.584 -6.632 1.00 0.00 O ATOM 0 H SER A 64 16.137 -11.591 -4.607 1.00 0.00 H new ATOM 0 HA SER A 64 14.535 -9.920 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.215 -12.439 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.761 -11.259 -8.050 1.00 0.00 H new ATOM 0 HG SER A 64 17.880 -10.844 -7.173 1.00 0.00 H new ATOM 952 N ILE A 67 13.241 -12.861 -5.936 1.00 0.00 N ATOM 953 CA ILE A 67 12.035 -13.666 -6.319 1.00 0.00 C ATOM 954 C ILE A 67 10.767 -12.793 -6.303 1.00 0.00 C ATOM 955 O ILE A 67 9.784 -13.116 -6.943 1.00 0.00 O ATOM 956 CB ILE A 67 11.952 -14.789 -5.284 1.00 0.00 C ATOM 957 CG1 ILE A 67 13.188 -15.680 -5.433 1.00 0.00 C ATOM 958 CG2 ILE A 67 10.687 -15.629 -5.520 1.00 0.00 C ATOM 959 CD1 ILE A 67 13.176 -16.747 -4.348 1.00 0.00 C ATOM 0 H ILE A 67 13.783 -13.239 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 67 12.114 -14.063 -7.331 1.00 0.00 H new ATOM 0 HB ILE A 67 11.910 -14.363 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.196 -16.147 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.094 -15.079 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.636 -16.426 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.806 -14.993 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.720 -16.064 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.055 -17.382 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.188 -16.270 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.276 -17.354 -4.445 1.00 0.00 H new ATOM 971 N CYS A 68 10.783 -11.694 -5.583 1.00 0.00 N ATOM 972 CA CYS A 68 9.575 -10.814 -5.542 1.00 0.00 C ATOM 973 C CYS A 68 9.420 -10.079 -6.874 1.00 0.00 C ATOM 974 O CYS A 68 10.329 -9.418 -7.339 1.00 0.00 O ATOM 975 CB CYS A 68 9.833 -9.806 -4.419 1.00 0.00 C ATOM 976 SG CYS A 68 10.036 -10.678 -2.847 1.00 0.00 S ATOM 0 H CYS A 68 11.575 -11.372 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 68 8.664 -11.387 -5.370 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.727 -9.223 -4.640 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.003 -9.103 -4.351 1.00 0.00 H new ATOM 981 N THR A 69 8.269 -10.185 -7.482 1.00 0.00 N ATOM 982 CA THR A 69 8.030 -9.490 -8.780 1.00 0.00 C ATOM 983 C THR A 69 6.613 -8.915 -8.797 1.00 0.00 C ATOM 984 O THR A 69 5.716 -9.455 -8.176 1.00 0.00 O ATOM 985 CB THR A 69 8.204 -10.570 -9.855 1.00 0.00 C ATOM 986 OG1 THR A 69 7.998 -9.995 -11.138 1.00 0.00 O ATOM 987 CG2 THR A 69 7.198 -11.705 -9.633 1.00 0.00 C ATOM 0 H THR A 69 7.479 -10.727 -7.133 1.00 0.00 H new ATOM 0 HA THR A 69 8.714 -8.658 -8.946 1.00 0.00 H new ATOM 0 HB THR A 69 9.213 -10.976 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.110 -10.683 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.332 -12.465 -10.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.362 -12.150 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.184 -11.308 -9.687 1.00 0.00 H new ATOM 995 N GLY A 70 6.401 -7.829 -9.495 1.00 0.00 N ATOM 996 CA GLY A 70 5.036 -7.232 -9.539 1.00 0.00 C ATOM 997 C GLY A 70 5.031 -5.978 -10.410 1.00 0.00 C ATOM 998 O GLY A 70 5.996 -5.665 -11.082 1.00 0.00 O ATOM 0 H GLY A 70 7.111 -7.333 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.327 -7.959 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.709 -6.983 -8.530 1.00 0.00 H new ATOM 1002 N THR A 71 3.940 -5.264 -10.395 1.00 0.00 N ATOM 1003 CA THR A 71 3.825 -4.020 -11.205 1.00 0.00 C ATOM 1004 C THR A 71 3.326 -2.876 -10.319 1.00 0.00 C ATOM 1005 O THR A 71 2.896 -3.090 -9.203 1.00 0.00 O ATOM 1006 CB THR A 71 2.808 -4.353 -12.290 1.00 0.00 C ATOM 1007 OG1 THR A 71 3.281 -5.443 -13.068 1.00 0.00 O ATOM 1008 CG2 THR A 71 2.579 -3.141 -13.190 1.00 0.00 C ATOM 0 H THR A 71 3.111 -5.494 -9.847 1.00 0.00 H new ATOM 0 HA THR A 71 4.776 -3.702 -11.632 1.00 0.00 H new ATOM 0 HB THR A 71 1.864 -4.625 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.625 -5.657 -13.764 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.850 -3.393 -13.961 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.203 -2.310 -12.593 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.520 -2.854 -13.660 1.00 0.00 H new ATOM 1016 N SER A 72 3.387 -1.667 -10.806 1.00 0.00 N ATOM 1017 CA SER A 72 2.919 -0.500 -9.996 1.00 0.00 C ATOM 1018 C SER A 72 2.131 0.470 -10.881 1.00 0.00 C ATOM 1019 O SER A 72 2.350 0.550 -12.075 1.00 0.00 O ATOM 1020 CB SER A 72 4.198 0.162 -9.486 1.00 0.00 C ATOM 1021 OG SER A 72 4.945 0.654 -10.592 1.00 0.00 O ATOM 0 H SER A 72 3.742 -1.434 -11.733 1.00 0.00 H new ATOM 0 HA SER A 72 2.260 -0.797 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.953 0.978 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.793 -0.556 -8.921 1.00 0.00 H new ATOM 0 HG SER A 72 5.301 1.541 -10.377 1.00 0.00 H new ATOM 1027 N SER A 73 1.219 1.206 -10.301 1.00 0.00 N ATOM 1028 CA SER A 73 0.411 2.177 -11.096 1.00 0.00 C ATOM 1029 C SER A 73 0.354 3.521 -10.367 1.00 0.00 C ATOM 1030 O SER A 73 1.012 3.715 -9.362 1.00 0.00 O ATOM 1031 CB SER A 73 -0.981 1.557 -11.194 1.00 0.00 C ATOM 1032 OG SER A 73 -1.759 2.296 -12.127 1.00 0.00 O ATOM 0 H SER A 73 0.998 1.176 -9.306 1.00 0.00 H new ATOM 0 HA SER A 73 0.836 2.363 -12.082 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.907 0.516 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.463 1.561 -10.217 1.00 0.00 H new ATOM 0 HG SER A 73 -2.653 1.900 -12.194 1.00 0.00 H new ATOM 1038 N GLY A 74 -0.423 4.449 -10.867 1.00 0.00 N ATOM 1039 CA GLY A 74 -0.517 5.786 -10.207 1.00 0.00 C ATOM 1040 C GLY A 74 -1.028 5.625 -8.773 1.00 0.00 C ATOM 1041 O GLY A 74 -0.450 6.150 -7.841 1.00 0.00 O ATOM 0 H GLY A 74 -0.996 4.338 -11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.461 6.268 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.189 6.433 -10.771 1.00 0.00 H new ATOM 1045 N ASN A 75 -2.102 4.902 -8.590 1.00 0.00 N ATOM 1046 CA ASN A 75 -2.648 4.698 -7.214 1.00 0.00 C ATOM 1047 C ASN A 75 -2.829 3.205 -6.902 1.00 0.00 C ATOM 1048 O ASN A 75 -3.346 2.847 -5.860 1.00 0.00 O ATOM 1049 CB ASN A 75 -4.001 5.410 -7.219 1.00 0.00 C ATOM 1050 CG ASN A 75 -3.791 6.909 -7.434 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -3.070 7.546 -6.690 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -4.393 7.506 -8.425 1.00 0.00 N ATOM 0 H ASN A 75 -2.626 4.443 -9.335 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.974 5.089 -6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.634 5.004 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -4.518 5.237 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.259 8.506 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.998 6.973 -9.050 1.00 0.00 H new ATOM 1059 N GLN A 76 -2.430 2.330 -7.797 1.00 0.00 N ATOM 1060 CA GLN A 76 -2.603 0.873 -7.556 1.00 0.00 C ATOM 1061 C GLN A 76 -1.259 0.137 -7.667 1.00 0.00 C ATOM 1062 O GLN A 76 -0.540 0.299 -8.633 1.00 0.00 O ATOM 1063 CB GLN A 76 -3.550 0.444 -8.673 1.00 0.00 C ATOM 1064 CG GLN A 76 -3.867 -1.026 -8.520 1.00 0.00 C ATOM 1065 CD GLN A 76 -4.893 -1.446 -9.574 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -5.970 -1.900 -9.242 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -4.603 -1.314 -10.839 1.00 0.00 N ATOM 0 H GLN A 76 -1.991 2.570 -8.686 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.985 0.647 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.467 1.032 -8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.093 0.630 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.958 -1.617 -8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.257 -1.222 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.699 -0.933 -11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.280 -1.592 -11.549 1.00 0.00 H new ATOM 1076 N VAL A 77 -0.914 -0.674 -6.688 1.00 0.00 N ATOM 1077 CA VAL A 77 0.376 -1.412 -6.751 1.00 0.00 C ATOM 1078 C VAL A 77 0.114 -2.923 -6.890 1.00 0.00 C ATOM 1079 O VAL A 77 -0.699 -3.486 -6.183 1.00 0.00 O ATOM 1080 CB VAL A 77 1.120 -1.081 -5.436 1.00 0.00 C ATOM 1081 CG1 VAL A 77 1.081 0.430 -5.149 1.00 0.00 C ATOM 1082 CG2 VAL A 77 0.529 -1.848 -4.238 1.00 0.00 C ATOM 0 H VAL A 77 -1.474 -0.850 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 77 0.974 -1.120 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 77 2.155 -1.395 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.611 0.638 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.560 0.968 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.045 0.756 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.078 -1.589 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.520 -1.579 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.610 -2.920 -4.417 1.00 0.00 H new ATOM 1092 N ASN A 78 0.788 -3.574 -7.798 1.00 0.00 N ATOM 1093 CA ASN A 78 0.576 -5.040 -7.988 1.00 0.00 C ATOM 1094 C ASN A 78 1.801 -5.839 -7.517 1.00 0.00 C ATOM 1095 O ASN A 78 2.875 -5.734 -8.078 1.00 0.00 O ATOM 1096 CB ASN A 78 0.371 -5.205 -9.496 1.00 0.00 C ATOM 1097 CG ASN A 78 -0.037 -6.648 -9.811 1.00 0.00 C ATOM 1098 OD1 ASN A 78 -0.007 -7.516 -8.960 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -0.420 -6.913 -11.033 1.00 0.00 N ATOM 0 H ASN A 78 1.479 -3.154 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.270 -5.412 -7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.398 -4.516 -9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.289 -4.953 -10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.700 -7.861 -11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.439 -6.172 -11.734 1.00 0.00 H new ATOM 1105 N LEU A 79 1.637 -6.653 -6.500 1.00 0.00 N ATOM 1106 CA LEU A 79 2.776 -7.485 -5.995 1.00 0.00 C ATOM 1107 C LEU A 79 2.509 -8.967 -6.295 1.00 0.00 C ATOM 1108 O LEU A 79 1.426 -9.467 -6.052 1.00 0.00 O ATOM 1109 CB LEU A 79 2.820 -7.249 -4.480 1.00 0.00 C ATOM 1110 CG LEU A 79 3.297 -5.824 -4.174 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.179 -5.558 -2.674 1.00 0.00 C ATOM 1112 CD2 LEU A 79 4.762 -5.675 -4.606 1.00 0.00 C ATOM 0 H LEU A 79 0.759 -6.777 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 79 3.720 -7.218 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.830 -7.408 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.489 -7.971 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 79 2.681 -5.108 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.518 -4.545 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.139 -5.667 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.796 -6.272 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.104 -4.663 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.377 -6.390 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.847 -5.866 -5.676 1.00 0.00 H new ATOM 1124 N THR A 80 3.483 -9.671 -6.824 1.00 0.00 N ATOM 1125 CA THR A 80 3.279 -11.119 -7.143 1.00 0.00 C ATOM 1126 C THR A 80 4.432 -11.968 -6.587 1.00 0.00 C ATOM 1127 O THR A 80 5.573 -11.548 -6.566 1.00 0.00 O ATOM 1128 CB THR A 80 3.251 -11.184 -8.674 1.00 0.00 C ATOM 1129 OG1 THR A 80 2.183 -10.382 -9.158 1.00 0.00 O ATOM 1130 CG2 THR A 80 3.047 -12.632 -9.129 1.00 0.00 C ATOM 0 H THR A 80 4.408 -9.305 -7.048 1.00 0.00 H new ATOM 0 HA THR A 80 2.365 -11.511 -6.697 1.00 0.00 H new ATOM 0 HB THR A 80 4.198 -10.814 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.163 -10.420 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.028 -12.672 -10.218 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.865 -13.249 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.102 -13.007 -8.736 1.00 0.00 H new ATOM 1138 N ILE A 81 4.133 -13.165 -6.148 1.00 0.00 N ATOM 1139 CA ILE A 81 5.193 -14.068 -5.602 1.00 0.00 C ATOM 1140 C ILE A 81 5.258 -15.353 -6.429 1.00 0.00 C ATOM 1141 O ILE A 81 4.239 -15.904 -6.784 1.00 0.00 O ATOM 1142 CB ILE A 81 4.741 -14.409 -4.174 1.00 0.00 C ATOM 1143 CG1 ILE A 81 4.716 -13.142 -3.316 1.00 0.00 C ATOM 1144 CG2 ILE A 81 5.706 -15.431 -3.551 1.00 0.00 C ATOM 1145 CD1 ILE A 81 3.986 -13.433 -2.000 1.00 0.00 C ATOM 0 H ILE A 81 3.192 -13.559 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 81 6.176 -13.599 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 81 3.739 -14.835 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.733 -12.806 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.215 -12.336 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.380 -15.669 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.712 -16.340 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.711 -15.010 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.967 -12.532 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.965 -13.749 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.506 -14.226 -1.463 1.00 0.00 H new ATOM 1157 N GLN A 82 6.439 -15.856 -6.694 1.00 0.00 N ATOM 1158 CA GLN A 82 6.549 -17.140 -7.450 1.00 0.00 C ATOM 1159 C GLN A 82 7.356 -18.150 -6.639 1.00 0.00 C ATOM 1160 O GLN A 82 8.498 -17.916 -6.290 1.00 0.00 O ATOM 1161 CB GLN A 82 7.281 -16.839 -8.752 1.00 0.00 C ATOM 1162 CG GLN A 82 6.388 -16.029 -9.690 1.00 0.00 C ATOM 1163 CD GLN A 82 7.260 -15.174 -10.612 1.00 0.00 C ATOM 1164 OE1 GLN A 82 8.175 -14.403 -10.093 1.00 0.00 O flip ATOM 1165 NE2 GLN A 82 7.107 -15.210 -11.817 1.00 0.00 N flip ATOM 0 H GLN A 82 7.327 -15.435 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 82 5.561 -17.557 -7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.196 -16.285 -8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.576 -17.771 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.762 -16.698 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.718 -15.392 -9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.391 -15.813 -12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.694 -14.637 -12.423 1.00 0.00 H new ATOM 1174 N GLY A 83 6.767 -19.271 -6.352 1.00 0.00 N ATOM 1175 CA GLY A 83 7.479 -20.327 -5.574 1.00 0.00 C ATOM 1176 C GLY A 83 6.893 -20.415 -4.166 1.00 0.00 C ATOM 1177 O GLY A 83 7.615 -20.460 -3.188 1.00 0.00 O ATOM 0 H GLY A 83 5.813 -19.508 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.385 -21.289 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.543 -20.098 -5.521 1.00 0.00 H new ATOM 1181 N LEU A 84 5.589 -20.435 -4.058 1.00 0.00 N ATOM 1182 CA LEU A 84 4.948 -20.517 -2.715 1.00 0.00 C ATOM 1183 C LEU A 84 4.725 -21.971 -2.297 1.00 0.00 C ATOM 1184 O LEU A 84 4.055 -22.730 -2.971 1.00 0.00 O ATOM 1185 CB LEU A 84 3.608 -19.804 -2.876 1.00 0.00 C ATOM 1186 CG LEU A 84 3.849 -18.308 -3.054 1.00 0.00 C ATOM 1187 CD1 LEU A 84 2.555 -17.637 -3.510 1.00 0.00 C ATOM 1188 CD2 LEU A 84 4.292 -17.708 -1.718 1.00 0.00 C ATOM 0 H LEU A 84 4.941 -20.398 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 84 5.572 -20.066 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.073 -20.202 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.982 -19.981 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 84 4.624 -18.147 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.725 -16.568 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.235 -18.070 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.780 -17.794 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.466 -16.639 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.514 -17.867 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.213 -18.190 -1.390 1.00 0.00 H new ATOM 1200 N ARG A 85 5.269 -22.347 -1.172 1.00 0.00 N ATOM 1201 CA ARG A 85 5.090 -23.734 -0.662 1.00 0.00 C ATOM 1202 C ARG A 85 4.047 -23.720 0.456 1.00 0.00 C ATOM 1203 O ARG A 85 3.547 -22.674 0.826 1.00 0.00 O ATOM 1204 CB ARG A 85 6.457 -24.137 -0.110 1.00 0.00 C ATOM 1205 CG ARG A 85 7.478 -24.159 -1.249 1.00 0.00 C ATOM 1206 CD ARG A 85 7.596 -25.581 -1.803 1.00 0.00 C ATOM 1207 NE ARG A 85 8.677 -25.513 -2.839 1.00 0.00 N ATOM 1208 CZ ARG A 85 8.929 -26.534 -3.635 1.00 0.00 C ATOM 1209 NH1 ARG A 85 8.247 -27.654 -3.555 1.00 0.00 N ATOM 1210 NH2 ARG A 85 9.880 -26.429 -4.522 1.00 0.00 N ATOM 0 H ARG A 85 5.837 -21.743 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 85 4.749 -24.428 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.772 -23.434 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.397 -25.119 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.171 -23.474 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.448 -23.816 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.850 -26.290 -1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.654 -25.913 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 85 9.229 -24.660 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.502 -27.749 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.463 -28.428 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.418 -25.565 -4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.086 -27.211 -5.144 1.00 0.00 H new ATOM 1224 N ALA A 86 3.722 -24.862 1.007 1.00 0.00 N ATOM 1225 CA ALA A 86 2.715 -24.897 2.115 1.00 0.00 C ATOM 1226 C ALA A 86 3.219 -24.049 3.288 1.00 0.00 C ATOM 1227 O ALA A 86 2.482 -23.281 3.877 1.00 0.00 O ATOM 1228 CB ALA A 86 2.611 -26.369 2.522 1.00 0.00 C ATOM 0 H ALA A 86 4.107 -25.768 0.741 1.00 0.00 H new ATOM 0 HA ALA A 86 1.747 -24.498 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.889 -26.472 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.284 -26.961 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.586 -26.724 2.857 1.00 0.00 H new ATOM 1234 N MET A 87 4.476 -24.184 3.617 1.00 0.00 N ATOM 1235 CA MET A 87 5.061 -23.391 4.739 1.00 0.00 C ATOM 1236 C MET A 87 5.021 -21.893 4.423 1.00 0.00 C ATOM 1237 O MET A 87 4.753 -21.074 5.282 1.00 0.00 O ATOM 1238 CB MET A 87 6.510 -23.871 4.852 1.00 0.00 C ATOM 1239 CG MET A 87 7.183 -23.191 6.046 1.00 0.00 C ATOM 1240 SD MET A 87 8.928 -23.667 6.107 1.00 0.00 S ATOM 1241 CE MET A 87 8.678 -25.376 6.648 1.00 0.00 C ATOM 0 H MET A 87 5.129 -24.815 3.153 1.00 0.00 H new ATOM 0 HA MET A 87 4.506 -23.531 5.667 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.537 -24.954 4.974 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.053 -23.640 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 87 7.093 -22.108 5.959 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.684 -23.479 6.971 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.404 -25.622 7.423 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.670 -25.488 7.047 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.809 -26.049 5.801 1.00 0.00 H new ATOM 1251 N ASP A 88 5.298 -21.534 3.197 1.00 0.00 N ATOM 1252 CA ASP A 88 5.297 -20.086 2.809 1.00 0.00 C ATOM 1253 C ASP A 88 3.916 -19.461 3.023 1.00 0.00 C ATOM 1254 O ASP A 88 3.792 -18.256 3.139 1.00 0.00 O ATOM 1255 CB ASP A 88 5.667 -20.061 1.328 1.00 0.00 C ATOM 1256 CG ASP A 88 7.093 -20.594 1.141 1.00 0.00 C ATOM 1257 OD1 ASP A 88 7.885 -20.462 2.061 1.00 0.00 O ATOM 1258 OD2 ASP A 88 7.368 -21.126 0.078 1.00 0.00 O ATOM 0 H ASP A 88 5.526 -22.181 2.443 1.00 0.00 H new ATOM 0 HA ASP A 88 5.997 -19.511 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.964 -20.668 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.595 -19.044 0.943 1.00 0.00 H new ATOM 1263 N THR A 89 2.874 -20.263 3.079 1.00 0.00 N ATOM 1264 CA THR A 89 1.504 -19.717 3.289 1.00 0.00 C ATOM 1265 C THR A 89 1.491 -18.800 4.509 1.00 0.00 C ATOM 1266 O THR A 89 2.133 -19.072 5.507 1.00 0.00 O ATOM 1267 CB THR A 89 0.618 -20.924 3.520 1.00 0.00 C ATOM 1268 OG1 THR A 89 0.741 -21.821 2.425 1.00 0.00 O ATOM 1269 CG2 THR A 89 -0.835 -20.479 3.660 1.00 0.00 C ATOM 0 H THR A 89 2.922 -21.278 2.987 1.00 0.00 H new ATOM 0 HA THR A 89 1.162 -19.127 2.439 1.00 0.00 H new ATOM 0 HB THR A 89 0.927 -21.427 4.436 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.292 -22.587 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.468 -21.351 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.927 -19.797 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.149 -19.971 2.748 1.00 0.00 H new ATOM 1277 N GLY A 90 0.787 -17.713 4.423 1.00 0.00 N ATOM 1278 CA GLY A 90 0.751 -16.760 5.568 1.00 0.00 C ATOM 1279 C GLY A 90 0.164 -15.424 5.117 1.00 0.00 C ATOM 1280 O GLY A 90 -0.555 -15.349 4.139 1.00 0.00 O ATOM 0 H GLY A 90 0.233 -17.439 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 90 0.152 -17.175 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.757 -16.611 5.960 1.00 0.00 H new ATOM 1284 N LEU A 91 0.448 -14.373 5.842 1.00 0.00 N ATOM 1285 CA LEU A 91 -0.113 -13.043 5.482 1.00 0.00 C ATOM 1286 C LEU A 91 0.957 -12.104 4.914 1.00 0.00 C ATOM 1287 O LEU A 91 1.955 -11.812 5.557 1.00 0.00 O ATOM 1288 CB LEU A 91 -0.641 -12.500 6.806 1.00 0.00 C ATOM 1289 CG LEU A 91 -1.353 -11.175 6.561 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -2.733 -11.446 5.966 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.496 -10.429 7.885 1.00 0.00 C ATOM 0 H LEU A 91 1.046 -14.382 6.669 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.876 -13.121 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.327 -13.216 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.181 -12.360 7.508 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.775 -10.567 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.245 -10.500 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.624 -11.981 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.316 -12.050 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.005 -9.480 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.077 -11.033 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.508 -10.241 8.305 1.00 0.00 H new ATOM 1303 N TYR A 92 0.723 -11.598 3.726 1.00 0.00 N ATOM 1304 CA TYR A 92 1.678 -10.638 3.100 1.00 0.00 C ATOM 1305 C TYR A 92 1.115 -9.220 3.217 1.00 0.00 C ATOM 1306 O TYR A 92 -0.073 -9.011 3.090 1.00 0.00 O ATOM 1307 CB TYR A 92 1.799 -11.067 1.639 1.00 0.00 C ATOM 1308 CG TYR A 92 2.678 -12.291 1.553 1.00 0.00 C ATOM 1309 CD1 TYR A 92 2.150 -13.575 1.850 1.00 0.00 C ATOM 1310 CD2 TYR A 92 4.041 -12.152 1.174 1.00 0.00 C ATOM 1311 CE1 TYR A 92 2.986 -14.722 1.769 1.00 0.00 C ATOM 1312 CE2 TYR A 92 4.877 -13.297 1.093 1.00 0.00 C ATOM 1313 CZ TYR A 92 4.350 -14.583 1.391 1.00 0.00 C ATOM 1314 OH TYR A 92 5.161 -15.697 1.312 1.00 0.00 O ATOM 0 H TYR A 92 -0.098 -11.814 3.161 1.00 0.00 H new ATOM 0 HA TYR A 92 2.655 -10.640 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.813 -11.283 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.222 -10.258 1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.114 -13.680 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.441 -11.175 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.585 -15.699 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.913 -13.191 0.805 1.00 0.00 H new ATOM 0 HH TYR A 92 5.850 -15.553 0.630 1.00 0.00 H new ATOM 1324 N ILE A 93 1.956 -8.257 3.500 1.00 0.00 N ATOM 1325 CA ILE A 93 1.474 -6.852 3.681 1.00 0.00 C ATOM 1326 C ILE A 93 1.949 -5.942 2.555 1.00 0.00 C ATOM 1327 O ILE A 93 3.124 -5.860 2.298 1.00 0.00 O ATOM 1328 CB ILE A 93 2.136 -6.388 4.992 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.595 -7.191 6.169 1.00 0.00 C ATOM 1330 CG2 ILE A 93 1.868 -4.889 5.245 1.00 0.00 C ATOM 1331 CD1 ILE A 93 2.320 -8.532 6.285 1.00 0.00 C ATOM 0 H ILE A 93 2.962 -8.384 3.614 1.00 0.00 H new ATOM 0 HA ILE A 93 0.385 -6.811 3.690 1.00 0.00 H new ATOM 0 HB ILE A 93 3.210 -6.548 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.719 -6.623 7.091 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.526 -7.360 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.346 -4.586 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.275 -4.303 4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.794 -4.718 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.919 -9.090 7.131 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.173 -9.105 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.385 -8.358 6.437 1.00 0.00 H new ATOM 1343 N CYS A 94 1.068 -5.180 1.957 1.00 0.00 N ATOM 1344 CA CYS A 94 1.541 -4.206 0.938 1.00 0.00 C ATOM 1345 C CYS A 94 2.077 -3.014 1.732 1.00 0.00 C ATOM 1346 O CYS A 94 1.736 -2.857 2.891 1.00 0.00 O ATOM 1347 CB CYS A 94 0.325 -3.842 0.080 1.00 0.00 C ATOM 1348 SG CYS A 94 -0.857 -2.850 1.027 1.00 0.00 S ATOM 0 H CYS A 94 0.062 -5.191 2.128 1.00 0.00 H new ATOM 0 HA CYS A 94 2.323 -4.578 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.649 -3.287 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.160 -4.751 -0.276 1.00 0.00 H new ATOM 1353 N LYS A 95 2.935 -2.207 1.170 1.00 0.00 N ATOM 1354 CA LYS A 95 3.501 -1.081 1.961 1.00 0.00 C ATOM 1355 C LYS A 95 3.908 0.036 1.027 1.00 0.00 C ATOM 1356 O LYS A 95 4.968 -0.006 0.452 1.00 0.00 O ATOM 1357 CB LYS A 95 4.731 -1.687 2.628 1.00 0.00 C ATOM 1358 CG LYS A 95 5.409 -0.645 3.522 1.00 0.00 C ATOM 1359 CD LYS A 95 5.482 -1.173 4.949 1.00 0.00 C ATOM 1360 CE LYS A 95 6.053 -0.095 5.874 1.00 0.00 C ATOM 1361 NZ LYS A 95 6.156 -0.750 7.207 1.00 0.00 N ATOM 0 H LYS A 95 3.265 -2.278 0.207 1.00 0.00 H new ATOM 0 HA LYS A 95 2.798 -0.661 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.443 -2.555 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.431 -2.038 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.411 -0.428 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.850 0.291 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.489 -1.467 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.108 -2.064 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.027 0.249 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.402 0.778 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.540 -0.074 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.212 -1.061 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.787 -1.574 7.141 1.00 0.00 H new ATOM 1375 N VAL A 96 3.074 1.018 0.860 1.00 0.00 N ATOM 1376 CA VAL A 96 3.409 2.130 -0.071 1.00 0.00 C ATOM 1377 C VAL A 96 3.665 3.439 0.690 1.00 0.00 C ATOM 1378 O VAL A 96 2.798 3.973 1.367 1.00 0.00 O ATOM 1379 CB VAL A 96 2.200 2.190 -1.017 1.00 0.00 C ATOM 1380 CG1 VAL A 96 0.889 2.300 -0.234 1.00 0.00 C ATOM 1381 CG2 VAL A 96 2.341 3.365 -1.993 1.00 0.00 C ATOM 0 H VAL A 96 2.172 1.101 1.328 1.00 0.00 H new ATOM 0 HA VAL A 96 4.335 1.972 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 96 2.174 1.262 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.052 2.341 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.779 1.432 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.902 3.206 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.476 3.393 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.399 4.298 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.248 3.240 -2.585 1.00 0.00 H new ATOM 1391 N GLU A 97 4.879 3.934 0.590 1.00 0.00 N ATOM 1392 CA GLU A 97 5.251 5.184 1.308 1.00 0.00 C ATOM 1393 C GLU A 97 6.048 6.134 0.421 1.00 0.00 C ATOM 1394 O GLU A 97 7.120 5.795 -0.045 1.00 0.00 O ATOM 1395 CB GLU A 97 6.199 4.737 2.429 1.00 0.00 C ATOM 1396 CG GLU A 97 5.531 3.689 3.326 1.00 0.00 C ATOM 1397 CD GLU A 97 6.058 2.305 2.957 1.00 0.00 C ATOM 1398 OE1 GLU A 97 5.773 1.857 1.863 1.00 0.00 O ATOM 1399 OE2 GLU A 97 6.746 1.716 3.778 1.00 0.00 O ATOM 0 H GLU A 97 5.628 3.518 0.037 1.00 0.00 H new ATOM 0 HA GLU A 97 4.351 5.697 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.110 4.324 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.493 5.599 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.740 3.903 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.449 3.724 3.203 1.00 0.00 H new ATOM 1406 N LEU A 98 5.595 7.349 0.261 1.00 0.00 N ATOM 1407 CA LEU A 98 6.395 8.335 -0.494 1.00 0.00 C ATOM 1408 C LEU A 98 7.524 8.751 0.451 1.00 0.00 C ATOM 1409 O LEU A 98 7.432 9.736 1.144 1.00 0.00 O ATOM 1410 CB LEU A 98 5.434 9.497 -0.750 1.00 0.00 C ATOM 1411 CG LEU A 98 4.490 9.183 -1.921 1.00 0.00 C ATOM 1412 CD1 LEU A 98 5.290 9.086 -3.222 1.00 0.00 C ATOM 1413 CD2 LEU A 98 3.733 7.875 -1.697 1.00 0.00 C ATOM 0 H LEU A 98 4.706 7.694 0.623 1.00 0.00 H new ATOM 0 HA LEU A 98 6.817 7.979 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.850 9.696 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.002 10.402 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 98 3.763 9.993 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.615 8.863 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.794 10.034 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.031 8.292 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.075 7.685 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.444 7.055 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.139 7.950 -0.786 1.00 0.00 H new ATOM 1425 N MET A 99 8.501 7.907 0.595 1.00 0.00 N ATOM 1426 CA MET A 99 9.584 8.165 1.586 1.00 0.00 C ATOM 1427 C MET A 99 10.628 9.165 1.124 1.00 0.00 C ATOM 1428 O MET A 99 11.106 9.965 1.896 1.00 0.00 O ATOM 1429 CB MET A 99 10.225 6.791 1.797 1.00 0.00 C ATOM 1430 CG MET A 99 10.987 6.773 3.127 1.00 0.00 C ATOM 1431 SD MET A 99 10.642 5.218 3.996 1.00 0.00 S ATOM 1432 CE MET A 99 8.849 5.437 4.158 1.00 0.00 C ATOM 0 H MET A 99 8.600 7.041 0.066 1.00 0.00 H new ATOM 0 HA MET A 99 9.171 8.613 2.490 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.457 6.017 1.797 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.904 6.566 0.975 1.00 0.00 H new ATOM 0 HG2 MET A 99 12.057 6.873 2.947 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.687 7.621 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.607 5.704 5.187 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.518 6.231 3.489 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.344 4.507 3.896 1.00 0.00 H new ATOM 1442 N TYR A 100 11.023 9.099 -0.132 1.00 0.00 N ATOM 1443 CA TYR A 100 12.067 10.049 -0.619 1.00 0.00 C ATOM 1444 C TYR A 100 11.602 11.525 -0.550 1.00 0.00 C ATOM 1445 O TYR A 100 12.364 12.376 -0.049 1.00 0.00 O ATOM 1446 CB TYR A 100 12.369 9.646 -2.052 1.00 0.00 C ATOM 1447 CG TYR A 100 13.118 8.343 -2.047 1.00 0.00 C ATOM 1448 CD1 TYR A 100 14.538 8.334 -1.985 1.00 0.00 C ATOM 1449 CD2 TYR A 100 12.406 7.114 -2.106 1.00 0.00 C ATOM 1450 CE1 TYR A 100 15.242 7.097 -1.986 1.00 0.00 C ATOM 1451 CE2 TYR A 100 13.112 5.876 -2.108 1.00 0.00 C ATOM 1452 CZ TYR A 100 14.528 5.867 -2.047 1.00 0.00 C ATOM 1453 OH TYR A 100 15.213 4.667 -2.042 1.00 0.00 O ATOM 0 H TYR A 100 10.671 8.439 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 100 12.952 9.992 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 100 11.443 9.546 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 100 12.961 10.418 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 100 15.083 9.265 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 100 11.327 7.118 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 100 16.321 7.092 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 100 12.568 4.944 -2.156 1.00 0.00 H new ATOM 0 HH TYR A 100 14.574 3.925 -2.087 1.00 0.00 H new ATOM 1463 N PRO A 101 10.386 11.822 -0.996 1.00 0.00 N ATOM 1464 CA PRO A 101 9.910 13.235 -0.928 1.00 0.00 C ATOM 1465 C PRO A 101 9.393 13.585 0.457 1.00 0.00 C ATOM 1466 O PRO A 101 8.521 12.811 0.995 1.00 0.00 O ATOM 1467 CB PRO A 101 8.751 13.263 -1.929 1.00 0.00 C ATOM 1468 CG PRO A 101 8.252 11.862 -1.985 1.00 0.00 C ATOM 1469 CD PRO A 101 9.388 10.942 -1.587 1.00 0.00 C ATOM 0 HA PRO A 101 10.705 13.948 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.967 13.948 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.085 13.602 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.404 11.733 -1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.902 11.622 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.055 10.186 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.789 10.412 -2.451 1.00 0.00 H new ATOM 1477 N PRO A 102 9.878 14.733 1.045 1.00 0.00 N ATOM 1478 CA PRO A 102 9.326 15.168 2.374 1.00 0.00 C ATOM 1479 C PRO A 102 7.932 16.026 2.123 1.00 0.00 C ATOM 1480 O PRO A 102 7.880 16.576 1.003 1.00 0.00 O ATOM 1481 CB PRO A 102 10.500 16.086 2.804 1.00 0.00 C ATOM 1482 CG PRO A 102 11.158 16.666 1.525 1.00 0.00 C ATOM 1483 CD PRO A 102 10.906 15.703 0.475 1.00 0.00 C ATOM 0 HA PRO A 102 9.059 14.392 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 102 10.138 16.891 3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.230 15.522 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.733 17.638 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.228 16.814 1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.528 16.192 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.821 15.183 0.193 1.00 0.00 H new ATOM 1491 N PRO A 103 6.950 16.369 3.172 1.00 0.00 N ATOM 1492 CA PRO A 103 7.734 15.455 4.173 1.00 0.00 C ATOM 1493 C PRO A 103 7.164 13.973 4.339 1.00 0.00 C ATOM 1494 O PRO A 103 6.876 13.513 5.459 1.00 0.00 O ATOM 1495 CB PRO A 103 7.920 16.057 5.482 1.00 0.00 C ATOM 1496 CG PRO A 103 6.692 16.957 5.385 1.00 0.00 C ATOM 1497 CD PRO A 103 5.841 16.307 4.188 1.00 0.00 C ATOM 0 HA PRO A 103 8.705 15.362 3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.876 15.342 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.858 16.604 5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.128 16.968 6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.967 17.989 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.498 15.294 4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 103 4.963 16.890 3.911 1.00 0.00 H new ATOM 1505 N TYR A 104 6.903 13.187 3.311 1.00 0.00 N ATOM 1506 CA TYR A 104 6.350 11.738 3.401 1.00 0.00 C ATOM 1507 C TYR A 104 4.916 11.678 3.933 1.00 0.00 C ATOM 1508 O TYR A 104 4.633 12.135 5.021 1.00 0.00 O ATOM 1509 CB TYR A 104 7.295 10.821 4.295 1.00 0.00 C ATOM 1510 CG TYR A 104 6.688 9.462 4.534 1.00 0.00 C ATOM 1511 CD1 TYR A 104 5.864 8.844 3.549 1.00 0.00 C ATOM 1512 CD2 TYR A 104 6.947 8.832 5.756 1.00 0.00 C ATOM 1513 CE1 TYR A 104 5.304 7.570 3.801 1.00 0.00 C ATOM 1514 CE2 TYR A 104 6.403 7.567 6.024 1.00 0.00 C ATOM 1515 CZ TYR A 104 5.565 6.932 5.039 1.00 0.00 C ATOM 1516 OH TYR A 104 5.027 5.710 5.308 1.00 0.00 O ATOM 0 H TYR A 104 7.053 13.490 2.349 1.00 0.00 H new ATOM 0 HA TYR A 104 6.335 11.357 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 104 8.262 10.707 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 104 7.479 11.311 5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.668 9.347 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.566 9.320 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.685 7.089 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.611 7.073 6.962 1.00 0.00 H new ATOM 0 HH TYR A 104 5.309 5.418 6.200 1.00 0.00 H new ATOM 1526 N TYR A 105 3.985 11.110 3.185 1.00 0.00 N ATOM 1527 CA TYR A 105 2.558 11.050 3.689 1.00 0.00 C ATOM 1528 C TYR A 105 1.793 9.963 2.950 1.00 0.00 C ATOM 1529 O TYR A 105 1.340 10.188 1.835 1.00 0.00 O ATOM 1530 CB TYR A 105 1.851 12.415 3.390 1.00 0.00 C ATOM 1531 CG TYR A 105 2.362 13.044 2.130 1.00 0.00 C ATOM 1532 CD1 TYR A 105 3.523 13.842 2.179 1.00 0.00 C ATOM 1533 CD2 TYR A 105 1.686 12.824 0.903 1.00 0.00 C ATOM 1534 CE1 TYR A 105 4.032 14.431 0.993 1.00 0.00 C ATOM 1535 CE2 TYR A 105 2.180 13.407 -0.290 1.00 0.00 C ATOM 1536 CZ TYR A 105 3.361 14.213 -0.249 1.00 0.00 C ATOM 1537 OH TYR A 105 3.841 14.788 -1.403 1.00 0.00 O ATOM 0 H TYR A 105 4.144 10.694 2.267 1.00 0.00 H new ATOM 0 HA TYR A 105 2.571 10.842 4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.776 12.256 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.009 13.096 4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 105 4.026 14.005 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.796 12.213 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 105 4.922 15.041 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 105 1.667 13.244 -1.226 1.00 0.00 H new ATOM 0 HH TYR A 105 3.267 14.537 -2.157 1.00 0.00 H new ATOM 1547 N LEU A 106 1.622 8.810 3.546 1.00 0.00 N ATOM 1548 CA LEU A 106 0.865 7.696 2.849 1.00 0.00 C ATOM 1549 C LEU A 106 0.359 6.646 3.864 1.00 0.00 C ATOM 1550 O LEU A 106 0.004 6.994 4.977 1.00 0.00 O ATOM 1551 CB LEU A 106 1.850 7.082 1.842 1.00 0.00 C ATOM 1552 CG LEU A 106 1.117 6.877 0.514 1.00 0.00 C ATOM 1553 CD1 LEU A 106 0.978 8.237 -0.167 1.00 0.00 C ATOM 1554 CD2 LEU A 106 1.890 5.919 -0.393 1.00 0.00 C ATOM 0 H LEU A 106 1.967 8.582 4.478 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.025 8.073 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.709 7.738 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.231 6.132 2.216 1.00 0.00 H new ATOM 0 HG LEU A 106 0.136 6.440 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.458 8.117 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.409 8.909 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.968 8.657 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.349 5.789 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.878 6.330 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.994 4.954 0.102 1.00 0.00 H new ATOM 1566 N GLY A 108 0.297 5.375 3.492 1.00 0.00 N ATOM 1567 CA GLY A 108 -0.219 4.358 4.462 1.00 0.00 C ATOM 1568 C GLY A 108 0.232 2.952 4.081 1.00 0.00 C ATOM 1569 O GLY A 108 0.798 2.711 3.023 1.00 0.00 O ATOM 0 H GLY A 108 0.576 5.014 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.135 4.597 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.308 4.398 4.490 1.00 0.00 H new ATOM 1573 N ILE A 109 -0.004 2.016 4.962 1.00 0.00 N ATOM 1574 CA ILE A 109 0.404 0.617 4.715 1.00 0.00 C ATOM 1575 C ILE A 109 -0.823 -0.297 4.837 1.00 0.00 C ATOM 1576 O ILE A 109 -1.732 -0.012 5.593 1.00 0.00 O ATOM 1577 CB ILE A 109 1.400 0.313 5.845 1.00 0.00 C ATOM 1578 CG1 ILE A 109 2.505 1.383 5.949 1.00 0.00 C ATOM 1579 CG2 ILE A 109 2.038 -1.038 5.585 1.00 0.00 C ATOM 1580 CD1 ILE A 109 3.114 1.644 4.583 1.00 0.00 C ATOM 0 H ILE A 109 -0.471 2.173 5.855 1.00 0.00 H new ATOM 0 HA ILE A 109 0.835 0.463 3.726 1.00 0.00 H new ATOM 0 HB ILE A 109 0.851 0.312 6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.090 2.307 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 109 3.278 1.051 6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.747 -1.265 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 109 1.265 -1.806 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.561 -1.016 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.893 2.402 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 109 3.547 0.722 4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.340 1.996 3.901 1.00 0.00 H new ATOM 1592 N GLY A 110 -0.856 -1.388 4.114 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.029 -2.312 4.210 1.00 0.00 C ATOM 1594 C GLY A 110 -1.737 -3.362 5.284 1.00 0.00 C ATOM 1595 O GLY A 110 -0.606 -3.770 5.452 1.00 0.00 O ATOM 0 H GLY A 110 -0.126 -1.679 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.931 -1.754 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.211 -2.794 3.249 1.00 0.00 H new ATOM 1599 N ASN A 111 -2.731 -3.793 6.027 1.00 0.00 N ATOM 1600 CA ASN A 111 -2.471 -4.805 7.095 1.00 0.00 C ATOM 1601 C ASN A 111 -2.088 -6.148 6.480 1.00 0.00 C ATOM 1602 O ASN A 111 -1.367 -6.918 7.089 1.00 0.00 O ATOM 1603 CB ASN A 111 -3.747 -4.858 7.951 1.00 0.00 C ATOM 1604 CG ASN A 111 -3.923 -3.502 8.667 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -4.102 -2.486 8.025 1.00 0.00 O ATOM 1606 ND2 ASN A 111 -3.883 -3.461 9.985 1.00 0.00 N ATOM 0 H ASN A 111 -3.701 -3.490 5.939 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.624 -4.538 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.613 -5.069 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.678 -5.664 8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.003 -2.573 10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.732 -4.318 10.518 1.00 0.00 H new ATOM 1612 N GLY A 112 -2.493 -6.413 5.260 1.00 0.00 N ATOM 1613 CA GLY A 112 -2.054 -7.682 4.608 1.00 0.00 C ATOM 1614 C GLY A 112 -3.201 -8.527 4.071 1.00 0.00 C ATOM 1615 O GLY A 112 -4.357 -8.357 4.403 1.00 0.00 O ATOM 0 H GLY A 112 -3.098 -5.815 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.377 -7.443 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.487 -8.272 5.328 1.00 0.00 H new ATOM 1619 N THR A 113 -2.831 -9.477 3.253 1.00 0.00 N ATOM 1620 CA THR A 113 -3.797 -10.432 2.656 1.00 0.00 C ATOM 1621 C THR A 113 -3.266 -11.843 2.894 1.00 0.00 C ATOM 1622 O THR A 113 -2.141 -12.140 2.531 1.00 0.00 O ATOM 1623 CB THR A 113 -3.763 -10.144 1.150 1.00 0.00 C ATOM 1624 OG1 THR A 113 -4.233 -8.828 0.900 1.00 0.00 O ATOM 1625 CG2 THR A 113 -4.626 -11.169 0.394 1.00 0.00 C ATOM 0 H THR A 113 -1.864 -9.631 2.968 1.00 0.00 H new ATOM 0 HA THR A 113 -4.800 -10.341 3.072 1.00 0.00 H new ATOM 0 HB THR A 113 -2.735 -10.226 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.939 -8.605 1.542 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.594 -10.954 -0.674 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.240 -12.173 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.656 -11.107 0.746 1.00 0.00 H new ATOM 1633 N GLN A 114 -4.052 -12.724 3.447 1.00 0.00 N ATOM 1634 CA GLN A 114 -3.550 -14.115 3.630 1.00 0.00 C ATOM 1635 C GLN A 114 -3.397 -14.747 2.244 1.00 0.00 C ATOM 1636 O GLN A 114 -4.192 -14.500 1.361 1.00 0.00 O ATOM 1637 CB GLN A 114 -4.613 -14.841 4.482 1.00 0.00 C ATOM 1638 CG GLN A 114 -4.320 -16.347 4.568 1.00 0.00 C ATOM 1639 CD GLN A 114 -2.897 -16.612 5.067 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -2.115 -17.244 4.386 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -2.529 -16.166 6.233 1.00 0.00 N ATOM 0 H GLN A 114 -5.002 -12.547 3.775 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.582 -14.168 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -4.634 -14.414 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.600 -14.684 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -5.037 -16.821 5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.454 -16.802 3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.185 -15.635 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -1.585 -16.347 6.574 1.00 0.00 H new ATOM 1650 N ILE A 115 -2.386 -15.545 2.036 1.00 0.00 N ATOM 1651 CA ILE A 115 -2.221 -16.190 0.705 1.00 0.00 C ATOM 1652 C ILE A 115 -2.297 -17.712 0.904 1.00 0.00 C ATOM 1653 O ILE A 115 -1.573 -18.274 1.713 1.00 0.00 O ATOM 1654 CB ILE A 115 -0.841 -15.755 0.176 1.00 0.00 C ATOM 1655 CG1 ILE A 115 -0.882 -14.263 -0.173 1.00 0.00 C ATOM 1656 CG2 ILE A 115 -0.488 -16.558 -1.083 1.00 0.00 C ATOM 1657 CD1 ILE A 115 0.503 -13.799 -0.638 1.00 0.00 C ATOM 0 H ILE A 115 -1.672 -15.777 2.726 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.993 -15.902 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.088 -15.937 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.618 -14.084 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.196 -13.685 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 115 0.489 -16.245 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.462 -17.621 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.240 -16.379 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.467 -12.738 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 115 1.228 -13.962 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.800 -14.367 -1.520 1.00 0.00 H new ATOM 1669 N TYR A 116 -3.163 -18.373 0.175 1.00 0.00 N ATOM 1670 CA TYR A 116 -3.301 -19.857 0.310 1.00 0.00 C ATOM 1671 C TYR A 116 -2.768 -20.556 -0.941 1.00 0.00 C ATOM 1672 O TYR A 116 -3.003 -20.114 -2.048 1.00 0.00 O ATOM 1673 CB TYR A 116 -4.807 -20.122 0.427 1.00 0.00 C ATOM 1674 CG TYR A 116 -5.323 -19.701 1.783 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -4.707 -20.201 2.963 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -6.440 -18.822 1.885 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -5.206 -19.824 4.240 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -6.930 -18.447 3.157 1.00 0.00 C ATOM 1679 CZ TYR A 116 -6.317 -18.945 4.337 1.00 0.00 C ATOM 1680 OH TYR A 116 -6.802 -18.578 5.575 1.00 0.00 O ATOM 0 H TYR A 116 -3.784 -17.945 -0.512 1.00 0.00 H new ATOM 0 HA TYR A 116 -2.743 -20.230 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.338 -19.578 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -5.007 -21.182 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.860 -20.867 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -6.912 -18.442 0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -4.740 -20.206 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -7.775 -17.778 3.232 1.00 0.00 H new ATOM 0 HH TYR A 116 -7.563 -17.972 5.461 1.00 0.00 H new ATOM 1690 N VAL A 117 -2.079 -21.659 -0.777 1.00 0.00 N ATOM 1691 CA VAL A 117 -1.568 -22.394 -1.969 1.00 0.00 C ATOM 1692 C VAL A 117 -2.491 -23.573 -2.274 1.00 0.00 C ATOM 1693 O VAL A 117 -3.318 -23.961 -1.470 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.163 -22.890 -1.617 1.00 0.00 C ATOM 1695 CG1 VAL A 117 0.392 -23.714 -2.791 1.00 0.00 C ATOM 1696 CG2 VAL A 117 0.751 -21.690 -1.360 1.00 0.00 C ATOM 0 H VAL A 117 -1.851 -22.077 0.125 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.537 -21.754 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.207 -23.511 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.393 -24.069 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.261 -24.567 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.438 -23.090 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.752 -22.042 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.798 -21.070 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.355 -21.102 -0.532 1.00 0.00 H new