USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 722 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 79 GLN : amide:sc= 0.349 K(o=-0.4,f=-3.8!) USER MOD Set 1.2: A 85 THR OG1 : rot 120:sc= -0.745 USER MOD Set 2.1: A 65 SER OG : rot 12:sc= 1.02 USER MOD Set 2.2: A 68 THR OG1 : rot 29:sc= 2.16 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.131 K(o=-2.3,f=-5.8!) USER MOD Set 3.2: A 23 MET CE :methyl -118:sc= -2.18 (180deg=-4.72!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00692 USER MOD Single : A 9 LYS NZ :NH3+ 137:sc= -0.38 (180deg=-1.65!) USER MOD Single : A 13 SER OG : rot 25:sc= 1.2 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.42) USER MOD Single : A 27 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.6) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.112 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -4.25! C(o=-4.2!,f=-4.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -130:sc= -1.74 (180deg=-2.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.118 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0634) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -2.04 F(o=-3.5!,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -177:sc= -2.19! (180deg=-2.25!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.667 -7.416 13.289 1.00 0.00 N ATOM 2 CA GLY A 1 12.041 -7.385 11.979 1.00 0.00 C ATOM 3 C GLY A 1 10.904 -8.379 11.857 1.00 0.00 C ATOM 4 O GLY A 1 10.999 -9.352 11.108 1.00 0.00 O ATOM 0 H1 GLY A 1 13.438 -6.719 13.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.961 -7.186 14.017 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.051 -8.366 13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.664 -6.381 11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.790 -7.599 11.217 1.00 0.00 H new ATOM 8 N SER A 2 9.825 -8.136 12.594 1.00 0.00 N ATOM 9 CA SER A 2 8.666 -9.021 12.569 1.00 0.00 C ATOM 10 C SER A 2 8.299 -9.394 11.136 1.00 0.00 C ATOM 11 O SER A 2 8.178 -10.572 10.801 1.00 0.00 O ATOM 12 CB SER A 2 7.473 -8.353 13.256 1.00 0.00 C ATOM 13 OG SER A 2 6.497 -9.310 13.626 1.00 0.00 O ATOM 0 H SER A 2 9.729 -7.333 13.216 1.00 0.00 H new ATOM 0 HA SER A 2 8.923 -9.932 13.109 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.813 -7.815 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.029 -7.616 12.586 1.00 0.00 H new ATOM 0 HG SER A 2 5.746 -8.858 14.064 1.00 0.00 H new ATOM 19 N SER A 3 8.123 -8.381 10.294 1.00 0.00 N ATOM 20 CA SER A 3 7.766 -8.601 8.897 1.00 0.00 C ATOM 21 C SER A 3 8.639 -9.687 8.278 1.00 0.00 C ATOM 22 O SER A 3 9.696 -10.027 8.808 1.00 0.00 O ATOM 23 CB SER A 3 7.907 -7.301 8.102 1.00 0.00 C ATOM 24 OG SER A 3 6.887 -6.379 8.446 1.00 0.00 O ATOM 0 H SER A 3 8.222 -7.400 10.555 1.00 0.00 H new ATOM 0 HA SER A 3 6.727 -8.930 8.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.883 -6.857 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.861 -7.517 7.035 1.00 0.00 H new ATOM 0 HG SER A 3 7.001 -5.556 7.926 1.00 0.00 H new ATOM 30 N GLY A 4 8.189 -10.229 7.150 1.00 0.00 N ATOM 31 CA GLY A 4 8.940 -11.271 6.476 1.00 0.00 C ATOM 32 C GLY A 4 8.341 -11.642 5.134 1.00 0.00 C ATOM 33 O GLY A 4 8.026 -10.770 4.324 1.00 0.00 O ATOM 0 H GLY A 4 7.317 -9.964 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.968 -10.938 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.977 -12.156 7.111 1.00 0.00 H new ATOM 37 N SER A 5 8.184 -12.941 4.896 1.00 0.00 N ATOM 38 CA SER A 5 7.624 -13.426 3.640 1.00 0.00 C ATOM 39 C SER A 5 6.991 -14.802 3.824 1.00 0.00 C ATOM 40 O SER A 5 7.477 -15.623 4.602 1.00 0.00 O ATOM 41 CB SER A 5 8.710 -13.491 2.564 1.00 0.00 C ATOM 42 OG SER A 5 9.225 -12.202 2.282 1.00 0.00 O ATOM 0 H SER A 5 8.437 -13.676 5.557 1.00 0.00 H new ATOM 0 HA SER A 5 6.849 -12.728 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.517 -14.144 2.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.299 -13.929 1.654 1.00 0.00 H new ATOM 0 HG SER A 5 9.918 -12.270 1.593 1.00 0.00 H new ATOM 48 N SER A 6 5.902 -15.046 3.101 1.00 0.00 N ATOM 49 CA SER A 6 5.199 -16.321 3.186 1.00 0.00 C ATOM 50 C SER A 6 4.092 -16.401 2.139 1.00 0.00 C ATOM 51 O SER A 6 3.786 -15.418 1.466 1.00 0.00 O ATOM 52 CB SER A 6 4.609 -16.510 4.584 1.00 0.00 C ATOM 53 OG SER A 6 4.261 -17.864 4.812 1.00 0.00 O ATOM 0 H SER A 6 5.488 -14.378 2.451 1.00 0.00 H new ATOM 0 HA SER A 6 5.917 -17.118 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.331 -16.186 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.727 -15.880 4.698 1.00 0.00 H new ATOM 0 HG SER A 6 3.888 -17.959 5.713 1.00 0.00 H new ATOM 59 N GLY A 7 3.494 -17.581 2.008 1.00 0.00 N ATOM 60 CA GLY A 7 2.427 -17.770 1.042 1.00 0.00 C ATOM 61 C GLY A 7 2.098 -19.232 0.820 1.00 0.00 C ATOM 62 O GLY A 7 2.855 -19.955 0.171 1.00 0.00 O ATOM 0 H GLY A 7 3.729 -18.410 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.534 -17.248 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.716 -17.318 0.093 1.00 0.00 H new ATOM 66 N ARG A 8 0.966 -19.671 1.361 1.00 0.00 N ATOM 67 CA ARG A 8 0.539 -21.058 1.221 1.00 0.00 C ATOM 68 C ARG A 8 -0.548 -21.188 0.158 1.00 0.00 C ATOM 69 O ARG A 8 -0.319 -21.747 -0.915 1.00 0.00 O ATOM 70 CB ARG A 8 0.026 -21.594 2.559 1.00 0.00 C ATOM 71 CG ARG A 8 0.167 -23.100 2.706 1.00 0.00 C ATOM 72 CD ARG A 8 0.294 -23.507 4.166 1.00 0.00 C ATOM 73 NE ARG A 8 0.075 -24.938 4.356 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.055 -25.510 5.548 1.00 0.00 C ATOM 75 NH1 ARG A 8 0.012 -24.776 6.650 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.252 -26.819 5.639 1.00 0.00 N ATOM 0 H ARG A 8 0.328 -19.086 1.900 1.00 0.00 H new ATOM 0 HA ARG A 8 1.401 -21.647 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.569 -21.106 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.024 -21.323 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.699 -23.593 2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.044 -23.440 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.286 -23.240 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.427 -22.948 4.762 1.00 0.00 H new ATOM 0 HE ARG A 8 0.019 -25.531 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.164 -23.770 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.088 -25.218 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.304 -27.387 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.352 -27.257 6.555 1.00 0.00 H new ATOM 90 N LYS A 9 -1.732 -20.669 0.463 1.00 0.00 N ATOM 91 CA LYS A 9 -2.855 -20.725 -0.465 1.00 0.00 C ATOM 92 C LYS A 9 -3.060 -22.144 -0.985 1.00 0.00 C ATOM 93 O LYS A 9 -3.429 -22.343 -2.143 1.00 0.00 O ATOM 94 CB LYS A 9 -2.624 -19.769 -1.637 1.00 0.00 C ATOM 95 CG LYS A 9 -2.554 -18.308 -1.225 1.00 0.00 C ATOM 96 CD LYS A 9 -1.926 -17.452 -2.313 1.00 0.00 C ATOM 97 CE LYS A 9 -0.410 -17.429 -2.198 1.00 0.00 C ATOM 98 NZ LYS A 9 0.217 -18.584 -2.898 1.00 0.00 N ATOM 0 H LYS A 9 -1.939 -20.204 1.347 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.753 -20.420 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.696 -20.041 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.428 -19.895 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.557 -17.942 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.974 -18.215 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.212 -17.838 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.313 -16.435 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.028 -16.499 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.125 -17.444 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.049 -18.258 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.510 -19.296 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.470 -19.006 -3.555 1.00 0.00 H new ATOM 112 N ILE A 10 -2.820 -23.126 -0.124 1.00 0.00 N ATOM 113 CA ILE A 10 -2.980 -24.526 -0.497 1.00 0.00 C ATOM 114 C ILE A 10 -4.306 -25.082 0.012 1.00 0.00 C ATOM 115 O ILE A 10 -4.344 -26.126 0.665 1.00 0.00 O ATOM 116 CB ILE A 10 -1.830 -25.391 0.051 1.00 0.00 C ATOM 117 CG1 ILE A 10 -0.482 -24.725 -0.235 1.00 0.00 C ATOM 118 CG2 ILE A 10 -1.878 -26.784 -0.558 1.00 0.00 C ATOM 119 CD1 ILE A 10 -0.263 -24.408 -1.697 1.00 0.00 C ATOM 0 H ILE A 10 -2.514 -22.978 0.838 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.965 -24.565 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.947 -25.484 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.411 -23.803 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.318 -25.380 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.059 -27.383 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.828 -27.257 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.782 -26.711 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.712 -23.938 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.301 -25.329 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.042 -23.728 -2.043 1.00 0.00 H new ATOM 131 N LEU A 11 -5.391 -24.379 -0.291 1.00 0.00 N ATOM 132 CA LEU A 11 -6.721 -24.803 0.134 1.00 0.00 C ATOM 133 C LEU A 11 -7.799 -24.173 -0.742 1.00 0.00 C ATOM 134 O LEU A 11 -7.569 -23.152 -1.389 1.00 0.00 O ATOM 135 CB LEU A 11 -6.954 -24.427 1.598 1.00 0.00 C ATOM 136 CG LEU A 11 -8.202 -25.019 2.253 1.00 0.00 C ATOM 137 CD1 LEU A 11 -8.031 -26.514 2.474 1.00 0.00 C ATOM 138 CD2 LEU A 11 -8.500 -24.314 3.568 1.00 0.00 C ATOM 0 H LEU A 11 -5.377 -23.513 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.781 -25.886 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.083 -24.738 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.012 -23.341 1.668 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.048 -24.866 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.929 -26.918 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.867 -27.007 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.174 -26.690 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.392 -24.749 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.654 -24.434 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.668 -23.253 3.382 1.00 0.00 H new ATOM 150 N ASP A 12 -8.976 -24.789 -0.757 1.00 0.00 N ATOM 151 CA ASP A 12 -10.092 -24.287 -1.551 1.00 0.00 C ATOM 152 C ASP A 12 -11.425 -24.646 -0.902 1.00 0.00 C ATOM 153 O ASP A 12 -11.719 -25.819 -0.671 1.00 0.00 O ATOM 154 CB ASP A 12 -10.032 -24.855 -2.970 1.00 0.00 C ATOM 155 CG ASP A 12 -11.143 -24.324 -3.853 1.00 0.00 C ATOM 156 OD1 ASP A 12 -12.326 -24.557 -3.525 1.00 0.00 O ATOM 157 OD2 ASP A 12 -10.831 -23.674 -4.873 1.00 0.00 O ATOM 0 H ASP A 12 -9.182 -25.637 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.013 -23.201 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.068 -24.609 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.095 -25.942 -2.926 1.00 0.00 H new ATOM 162 N SER A 13 -12.229 -23.628 -0.610 1.00 0.00 N ATOM 163 CA SER A 13 -13.529 -23.835 0.017 1.00 0.00 C ATOM 164 C SER A 13 -14.381 -22.573 -0.068 1.00 0.00 C ATOM 165 O SER A 13 -13.886 -21.497 -0.409 1.00 0.00 O ATOM 166 CB SER A 13 -13.354 -24.249 1.479 1.00 0.00 C ATOM 167 OG SER A 13 -13.086 -25.636 1.589 1.00 0.00 O ATOM 0 H SER A 13 -12.002 -22.651 -0.798 1.00 0.00 H new ATOM 0 HA SER A 13 -14.040 -24.634 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.538 -23.681 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.256 -24.004 2.040 1.00 0.00 H new ATOM 0 HG SER A 13 -12.692 -25.960 0.753 1.00 0.00 H new ATOM 173 N LYS A 14 -15.665 -22.710 0.244 1.00 0.00 N ATOM 174 CA LYS A 14 -16.588 -21.582 0.205 1.00 0.00 C ATOM 175 C LYS A 14 -15.939 -20.328 0.782 1.00 0.00 C ATOM 176 O LYS A 14 -15.785 -20.200 1.996 1.00 0.00 O ATOM 177 CB LYS A 14 -17.863 -21.913 0.983 1.00 0.00 C ATOM 178 CG LYS A 14 -17.614 -22.256 2.442 1.00 0.00 C ATOM 179 CD LYS A 14 -18.659 -23.223 2.973 1.00 0.00 C ATOM 180 CE LYS A 14 -18.207 -23.873 4.272 1.00 0.00 C ATOM 181 NZ LYS A 14 -18.943 -25.138 4.545 1.00 0.00 N ATOM 0 H LYS A 14 -16.091 -23.593 0.527 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.845 -21.391 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -18.542 -21.062 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.365 -22.752 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.622 -22.695 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.625 -21.344 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.597 -22.693 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.855 -23.994 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.138 -24.079 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.360 -23.178 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.606 -25.550 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.961 -24.938 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.777 -25.811 3.769 1.00 0.00 H new ATOM 195 N ALA A 15 -15.561 -19.405 -0.096 1.00 0.00 N ATOM 196 CA ALA A 15 -14.933 -18.160 0.327 1.00 0.00 C ATOM 197 C ALA A 15 -14.728 -17.219 -0.856 1.00 0.00 C ATOM 198 O ALA A 15 -14.903 -17.611 -2.010 1.00 0.00 O ATOM 199 CB ALA A 15 -13.605 -18.446 1.013 1.00 0.00 C ATOM 0 H ALA A 15 -15.679 -19.496 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.598 -17.669 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.146 -17.507 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.775 -19.074 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.941 -18.962 0.320 1.00 0.00 H new ATOM 205 N ILE A 16 -14.356 -15.978 -0.561 1.00 0.00 N ATOM 206 CA ILE A 16 -14.127 -14.982 -1.600 1.00 0.00 C ATOM 207 C ILE A 16 -12.653 -14.599 -1.680 1.00 0.00 C ATOM 208 O ILE A 16 -11.979 -14.470 -0.657 1.00 0.00 O ATOM 209 CB ILE A 16 -14.964 -13.712 -1.358 1.00 0.00 C ATOM 210 CG1 ILE A 16 -16.439 -14.074 -1.178 1.00 0.00 C ATOM 211 CG2 ILE A 16 -14.789 -12.735 -2.510 1.00 0.00 C ATOM 212 CD1 ILE A 16 -17.233 -13.023 -0.433 1.00 0.00 C ATOM 0 H ILE A 16 -14.207 -15.638 0.389 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.434 -15.435 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.613 -13.232 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.889 -14.230 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -16.510 -15.020 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.387 -11.843 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.738 -12.457 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -15.116 -13.204 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -18.270 -13.347 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.808 -12.883 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -17.193 -12.081 -0.980 1.00 0.00 H new ATOM 224 N ASP A 17 -12.160 -14.417 -2.899 1.00 0.00 N ATOM 225 CA ASP A 17 -10.766 -14.045 -3.113 1.00 0.00 C ATOM 226 C ASP A 17 -10.507 -12.615 -2.648 1.00 0.00 C ATOM 227 O ASP A 17 -10.348 -11.706 -3.463 1.00 0.00 O ATOM 228 CB ASP A 17 -10.398 -14.189 -4.590 1.00 0.00 C ATOM 229 CG ASP A 17 -11.225 -15.248 -5.293 1.00 0.00 C ATOM 230 OD1 ASP A 17 -12.449 -15.044 -5.439 1.00 0.00 O ATOM 231 OD2 ASP A 17 -10.649 -16.279 -5.697 1.00 0.00 O ATOM 0 H ASP A 17 -12.705 -14.521 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.142 -14.718 -2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.538 -13.231 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.341 -14.442 -4.675 1.00 0.00 H new ATOM 236 N LEU A 18 -10.469 -12.424 -1.334 1.00 0.00 N ATOM 237 CA LEU A 18 -10.231 -11.104 -0.760 1.00 0.00 C ATOM 238 C LEU A 18 -8.736 -10.822 -0.645 1.00 0.00 C ATOM 239 O LEU A 18 -8.301 -9.676 -0.754 1.00 0.00 O ATOM 240 CB LEU A 18 -10.890 -10.998 0.616 1.00 0.00 C ATOM 241 CG LEU A 18 -12.358 -11.416 0.691 1.00 0.00 C ATOM 242 CD1 LEU A 18 -12.685 -11.974 2.068 1.00 0.00 C ATOM 243 CD2 LEU A 18 -13.265 -10.240 0.361 1.00 0.00 C ATOM 0 H LEU A 18 -10.600 -13.166 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.672 -10.361 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.322 -11.610 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.809 -9.966 0.957 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.530 -12.200 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.735 -12.266 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.059 -12.844 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.496 -11.212 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.306 -10.556 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.090 -9.434 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.049 -9.886 -0.647 1.00 0.00 H new ATOM 255 N MET A 19 -7.956 -11.875 -0.425 1.00 0.00 N ATOM 256 CA MET A 19 -6.509 -11.740 -0.298 1.00 0.00 C ATOM 257 C MET A 19 -5.926 -10.989 -1.491 1.00 0.00 C ATOM 258 O MET A 19 -4.983 -10.213 -1.347 1.00 0.00 O ATOM 259 CB MET A 19 -5.856 -13.118 -0.179 1.00 0.00 C ATOM 260 CG MET A 19 -5.712 -13.839 -1.510 1.00 0.00 C ATOM 261 SD MET A 19 -5.803 -15.632 -1.342 1.00 0.00 S ATOM 262 CE MET A 19 -7.457 -15.945 -1.955 1.00 0.00 C ATOM 0 H MET A 19 -8.301 -12.830 -0.331 1.00 0.00 H new ATOM 0 HA MET A 19 -6.300 -11.168 0.606 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.870 -13.006 0.273 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.448 -13.735 0.497 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.496 -13.501 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.759 -13.568 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.664 -17.014 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.181 -15.412 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.534 -15.599 -2.986 1.00 0.00 H new ATOM 272 N ASN A 20 -6.495 -11.225 -2.669 1.00 0.00 N ATOM 273 CA ASN A 20 -6.031 -10.572 -3.887 1.00 0.00 C ATOM 274 C ASN A 20 -5.962 -9.059 -3.700 1.00 0.00 C ATOM 275 O ASN A 20 -5.055 -8.401 -4.209 1.00 0.00 O ATOM 276 CB ASN A 20 -6.956 -10.911 -5.057 1.00 0.00 C ATOM 277 CG ASN A 20 -6.514 -12.155 -5.802 1.00 0.00 C ATOM 278 OD1 ASN A 20 -5.323 -12.459 -5.874 1.00 0.00 O ATOM 279 ND2 ASN A 20 -7.474 -12.883 -6.361 1.00 0.00 N ATOM 0 H ASN A 20 -7.278 -11.864 -2.805 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.029 -10.939 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.970 -11.055 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.987 -10.069 -5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.237 -13.732 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.448 -12.594 -6.276 1.00 0.00 H new ATOM 286 N ALA A 21 -6.927 -8.515 -2.966 1.00 0.00 N ATOM 287 CA ALA A 21 -6.975 -7.080 -2.710 1.00 0.00 C ATOM 288 C ALA A 21 -5.572 -6.496 -2.596 1.00 0.00 C ATOM 289 O ALA A 21 -5.308 -5.390 -3.071 1.00 0.00 O ATOM 290 CB ALA A 21 -7.771 -6.797 -1.445 1.00 0.00 C ATOM 0 H ALA A 21 -7.686 -9.046 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.472 -6.601 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.799 -5.722 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.788 -7.172 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.297 -7.294 -0.598 1.00 0.00 H new ATOM 296 N LEU A 22 -4.674 -7.244 -1.964 1.00 0.00 N ATOM 297 CA LEU A 22 -3.296 -6.799 -1.787 1.00 0.00 C ATOM 298 C LEU A 22 -2.590 -6.664 -3.132 1.00 0.00 C ATOM 299 O LEU A 22 -2.184 -5.570 -3.524 1.00 0.00 O ATOM 300 CB LEU A 22 -2.533 -7.780 -0.894 1.00 0.00 C ATOM 301 CG LEU A 22 -2.574 -7.492 0.607 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.249 -8.748 1.400 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.608 -6.371 0.961 1.00 0.00 C ATOM 0 H LEU A 22 -4.875 -8.161 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.315 -5.820 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.932 -8.780 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.491 -7.795 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.583 -7.172 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.283 -8.524 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.979 -9.523 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.252 -9.098 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.650 -6.179 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.595 -6.663 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.886 -5.467 0.420 1.00 0.00 H new ATOM 315 N MET A 23 -2.451 -7.782 -3.836 1.00 0.00 N ATOM 316 CA MET A 23 -1.797 -7.788 -5.140 1.00 0.00 C ATOM 317 C MET A 23 -2.268 -6.611 -5.989 1.00 0.00 C ATOM 318 O MET A 23 -1.461 -5.922 -6.613 1.00 0.00 O ATOM 319 CB MET A 23 -2.078 -9.103 -5.870 1.00 0.00 C ATOM 320 CG MET A 23 -1.118 -10.221 -5.498 1.00 0.00 C ATOM 321 SD MET A 23 -1.153 -10.610 -3.738 1.00 0.00 S ATOM 322 CE MET A 23 -2.691 -11.521 -3.623 1.00 0.00 C ATOM 0 H MET A 23 -2.782 -8.696 -3.526 1.00 0.00 H new ATOM 0 HA MET A 23 -0.723 -7.692 -4.981 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.097 -9.421 -5.649 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.024 -8.931 -6.945 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.369 -11.115 -6.069 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.105 -9.935 -5.783 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.379 -10.991 -2.964 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.135 -11.612 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.496 -12.515 -3.221 1.00 0.00 H new ATOM 332 N ARG A 24 -3.578 -6.387 -6.007 1.00 0.00 N ATOM 333 CA ARG A 24 -4.156 -5.295 -6.781 1.00 0.00 C ATOM 334 C ARG A 24 -3.447 -3.978 -6.476 1.00 0.00 C ATOM 335 O ARG A 24 -2.853 -3.361 -7.361 1.00 0.00 O ATOM 336 CB ARG A 24 -5.650 -5.163 -6.481 1.00 0.00 C ATOM 337 CG ARG A 24 -6.528 -6.027 -7.371 1.00 0.00 C ATOM 338 CD ARG A 24 -6.740 -7.408 -6.773 1.00 0.00 C ATOM 339 NE ARG A 24 -7.196 -8.373 -7.770 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.405 -8.899 -8.699 1.00 0.00 C ATOM 341 NH1 ARG A 24 -5.126 -8.555 -8.757 1.00 0.00 N ATOM 342 NH2 ARG A 24 -6.893 -9.770 -9.572 1.00 0.00 N ATOM 0 H ARG A 24 -4.259 -6.947 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.024 -5.523 -7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.828 -5.431 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.945 -4.120 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.492 -5.540 -7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.069 -6.122 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.808 -7.758 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.472 -7.346 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.175 -8.659 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.747 -7.885 -8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.521 -8.960 -9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.877 -10.037 -9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.285 -10.173 -10.285 1.00 0.00 H new ATOM 356 N LEU A 25 -3.513 -3.554 -5.219 1.00 0.00 N ATOM 357 CA LEU A 25 -2.878 -2.310 -4.797 1.00 0.00 C ATOM 358 C LEU A 25 -1.485 -2.177 -5.403 1.00 0.00 C ATOM 359 O LEU A 25 -1.086 -1.096 -5.834 1.00 0.00 O ATOM 360 CB LEU A 25 -2.791 -2.252 -3.271 1.00 0.00 C ATOM 361 CG LEU A 25 -2.701 -0.855 -2.656 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.012 -0.107 -2.838 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.336 -0.943 -1.181 1.00 0.00 C ATOM 0 H LEU A 25 -4.000 -4.053 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.489 -1.480 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.666 -2.753 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.918 -2.823 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.916 -0.302 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.929 0.885 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.232 -0.012 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.816 -0.657 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.277 0.061 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.098 -1.514 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.371 -1.439 -1.074 1.00 0.00 H new ATOM 375 N ASN A 26 -0.751 -3.284 -5.434 1.00 0.00 N ATOM 376 CA ASN A 26 0.598 -3.291 -5.990 1.00 0.00 C ATOM 377 C ASN A 26 0.561 -3.157 -7.509 1.00 0.00 C ATOM 378 O ASN A 26 1.317 -2.380 -8.091 1.00 0.00 O ATOM 379 CB ASN A 26 1.327 -4.578 -5.598 1.00 0.00 C ATOM 380 CG ASN A 26 1.988 -4.476 -4.237 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.798 -3.582 -3.993 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.644 -5.395 -3.342 1.00 0.00 N ATOM 0 H ASN A 26 -1.067 -4.187 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 26 1.137 -2.437 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.619 -5.407 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.082 -4.808 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.056 -5.377 -2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.968 -6.118 -3.588 1.00 0.00 H new ATOM 389 N GLN A 27 -0.324 -3.919 -8.144 1.00 0.00 N ATOM 390 CA GLN A 27 -0.459 -3.885 -9.595 1.00 0.00 C ATOM 391 C GLN A 27 -0.641 -2.454 -10.092 1.00 0.00 C ATOM 392 O GLN A 27 0.069 -2.005 -10.992 1.00 0.00 O ATOM 393 CB GLN A 27 -1.643 -4.746 -10.039 1.00 0.00 C ATOM 394 CG GLN A 27 -1.341 -6.235 -10.056 1.00 0.00 C ATOM 395 CD GLN A 27 -2.353 -7.027 -10.860 1.00 0.00 C ATOM 396 OE1 GLN A 27 -3.048 -6.480 -11.716 1.00 0.00 O ATOM 397 NE2 GLN A 27 -2.441 -8.324 -10.588 1.00 0.00 N ATOM 0 H GLN A 27 -0.958 -4.567 -7.676 1.00 0.00 H new ATOM 0 HA GLN A 27 0.456 -4.287 -10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.485 -4.562 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.953 -4.435 -11.037 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.346 -6.395 -10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.322 -6.610 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.845 -8.736 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.104 -8.908 -11.097 1.00 0.00 H new ATOM 406 N ILE A 28 -1.595 -1.744 -9.499 1.00 0.00 N ATOM 407 CA ILE A 28 -1.868 -0.365 -9.881 1.00 0.00 C ATOM 408 C ILE A 28 -0.801 0.579 -9.336 1.00 0.00 C ATOM 409 O ILE A 28 -0.382 1.517 -10.014 1.00 0.00 O ATOM 410 CB ILE A 28 -3.249 0.095 -9.378 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.378 -0.156 -7.874 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.355 -0.622 -10.137 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.641 0.419 -7.272 1.00 0.00 C ATOM 0 H ILE A 28 -2.191 -2.101 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.857 -0.332 -10.970 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.347 1.166 -9.558 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.353 -1.230 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.515 0.274 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.325 -0.286 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.272 -0.397 -11.200 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.262 -1.697 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.666 0.203 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.658 1.498 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.510 -0.030 -7.753 1.00 0.00 H new ATOM 425 N ARG A 29 -0.364 0.322 -8.107 1.00 0.00 N ATOM 426 CA ARG A 29 0.655 1.148 -7.471 1.00 0.00 C ATOM 427 C ARG A 29 1.829 0.295 -6.999 1.00 0.00 C ATOM 428 O ARG A 29 1.867 -0.178 -5.863 1.00 0.00 O ATOM 429 CB ARG A 29 0.058 1.912 -6.288 1.00 0.00 C ATOM 430 CG ARG A 29 -1.150 2.758 -6.657 1.00 0.00 C ATOM 431 CD ARG A 29 -0.747 3.981 -7.467 1.00 0.00 C ATOM 432 NE ARG A 29 0.130 4.872 -6.713 1.00 0.00 N ATOM 433 CZ ARG A 29 0.504 6.072 -7.143 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.080 6.521 -8.316 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.304 6.825 -6.400 1.00 0.00 N ATOM 0 H ARG A 29 -0.700 -0.451 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 29 1.020 1.863 -8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.230 1.200 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.825 2.556 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.855 2.157 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.665 3.074 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.242 3.662 -8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.641 4.525 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 29 0.474 4.556 -5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.535 5.945 -8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.369 7.443 -8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.633 6.483 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.590 7.746 -6.731 1.00 0.00 H new ATOM 449 N PRO A 30 2.811 0.093 -7.890 1.00 0.00 N ATOM 450 CA PRO A 30 4.003 -0.703 -7.588 1.00 0.00 C ATOM 451 C PRO A 30 4.922 -0.013 -6.586 1.00 0.00 C ATOM 452 O PRO A 30 5.022 1.213 -6.562 1.00 0.00 O ATOM 453 CB PRO A 30 4.696 -0.834 -8.946 1.00 0.00 C ATOM 454 CG PRO A 30 4.236 0.351 -9.722 1.00 0.00 C ATOM 455 CD PRO A 30 2.832 0.627 -9.262 1.00 0.00 C ATOM 0 HA PRO A 30 3.749 -1.659 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.781 -0.840 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.420 -1.764 -9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.882 1.210 -9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.264 0.151 -10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.605 1.693 -9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.097 0.133 -9.897 1.00 0.00 H new ATOM 463 N GLY A 31 5.593 -0.809 -5.759 1.00 0.00 N ATOM 464 CA GLY A 31 6.496 -0.256 -4.766 1.00 0.00 C ATOM 465 C GLY A 31 5.761 0.441 -3.638 1.00 0.00 C ATOM 466 O GLY A 31 5.835 1.663 -3.500 1.00 0.00 O ATOM 0 H GLY A 31 5.527 -1.827 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.112 -1.055 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.171 0.451 -5.247 1.00 0.00 H new ATOM 470 N LEU A 32 5.047 -0.335 -2.830 1.00 0.00 N ATOM 471 CA LEU A 32 4.293 0.215 -1.709 1.00 0.00 C ATOM 472 C LEU A 32 4.963 -0.127 -0.382 1.00 0.00 C ATOM 473 O LEU A 32 5.688 -1.116 -0.280 1.00 0.00 O ATOM 474 CB LEU A 32 2.860 -0.318 -1.723 1.00 0.00 C ATOM 475 CG LEU A 32 1.981 0.147 -2.885 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.797 -0.790 -3.067 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.505 1.574 -2.656 1.00 0.00 C ATOM 0 H LEU A 32 4.974 -1.347 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 32 4.271 1.300 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.899 -1.407 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.377 -0.028 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 32 2.577 0.127 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.183 -0.443 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.159 -1.796 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.200 -0.803 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.881 1.888 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.926 1.621 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.367 2.237 -2.577 1.00 0.00 H new ATOM 489 N GLN A 33 4.713 0.696 0.631 1.00 0.00 N ATOM 490 CA GLN A 33 5.291 0.479 1.952 1.00 0.00 C ATOM 491 C GLN A 33 4.228 0.605 3.038 1.00 0.00 C ATOM 492 O GLN A 33 3.690 1.687 3.272 1.00 0.00 O ATOM 493 CB GLN A 33 6.420 1.478 2.208 1.00 0.00 C ATOM 494 CG GLN A 33 5.961 2.927 2.210 1.00 0.00 C ATOM 495 CD GLN A 33 7.103 3.901 1.991 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.972 3.677 1.148 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.106 4.990 2.751 1.00 0.00 N ATOM 0 H GLN A 33 4.114 1.519 0.562 1.00 0.00 H new ATOM 0 HA GLN A 33 5.697 -0.532 1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.884 1.251 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.188 1.350 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.213 3.068 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.476 3.149 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.365 5.135 3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.849 5.681 2.648 1.00 0.00 H new ATOM 506 N TYR A 34 3.930 -0.508 3.699 1.00 0.00 N ATOM 507 CA TYR A 34 2.929 -0.523 4.759 1.00 0.00 C ATOM 508 C TYR A 34 3.580 -0.331 6.125 1.00 0.00 C ATOM 509 O TYR A 34 4.680 -0.824 6.378 1.00 0.00 O ATOM 510 CB TYR A 34 2.148 -1.838 4.734 1.00 0.00 C ATOM 511 CG TYR A 34 1.627 -2.207 3.363 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.450 -2.821 2.428 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.312 -1.940 3.003 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.979 -3.160 1.174 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.168 -2.276 1.752 1.00 0.00 C ATOM 516 CZ TYR A 34 0.669 -2.885 0.841 1.00 0.00 C ATOM 517 OH TYR A 34 0.195 -3.220 -0.407 1.00 0.00 O ATOM 0 H TYR A 34 4.367 -1.412 3.519 1.00 0.00 H new ATOM 0 HA TYR A 34 2.240 0.304 4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.791 -2.640 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.308 -1.765 5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.476 -3.037 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.346 -1.462 3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.633 -3.637 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.194 -2.063 1.489 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.763 -3.419 -0.351 1.00 0.00 H new ATOM 527 N LYS A 35 2.892 0.388 7.005 1.00 0.00 N ATOM 528 CA LYS A 35 3.399 0.645 8.348 1.00 0.00 C ATOM 529 C LYS A 35 2.308 0.434 9.392 1.00 0.00 C ATOM 530 O LYS A 35 1.122 0.615 9.111 1.00 0.00 O ATOM 531 CB LYS A 35 3.944 2.072 8.445 1.00 0.00 C ATOM 532 CG LYS A 35 4.612 2.379 9.774 1.00 0.00 C ATOM 533 CD LYS A 35 5.173 3.791 9.803 1.00 0.00 C ATOM 534 CE LYS A 35 6.138 3.984 10.963 1.00 0.00 C ATOM 535 NZ LYS A 35 5.431 4.009 12.274 1.00 0.00 N ATOM 0 H LYS A 35 1.981 0.804 6.812 1.00 0.00 H new ATOM 0 HA LYS A 35 4.206 -0.060 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.662 2.233 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.127 2.776 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.890 2.257 10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.415 1.664 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.685 3.999 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.355 4.507 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.873 3.179 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.686 4.916 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.123 4.142 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.747 4.793 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.928 3.109 12.415 1.00 0.00 H new ATOM 549 N LEU A 36 2.714 0.052 10.597 1.00 0.00 N ATOM 550 CA LEU A 36 1.770 -0.182 11.685 1.00 0.00 C ATOM 551 C LEU A 36 1.718 1.016 12.628 1.00 0.00 C ATOM 552 O LEU A 36 2.594 1.191 13.476 1.00 0.00 O ATOM 553 CB LEU A 36 2.159 -1.441 12.462 1.00 0.00 C ATOM 554 CG LEU A 36 1.061 -2.062 13.326 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.097 -2.866 12.467 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.669 -2.939 14.411 1.00 0.00 C ATOM 0 H LEU A 36 3.691 -0.103 10.846 1.00 0.00 H new ATOM 0 HA LEU A 36 0.780 -0.322 11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.502 -2.192 11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.006 -1.200 13.104 1.00 0.00 H new ATOM 0 HG LEU A 36 0.504 -1.257 13.806 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.678 -3.301 13.099 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.363 -2.212 11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.640 -3.663 11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.873 -3.373 15.017 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.251 -3.737 13.950 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.319 -2.336 15.045 1.00 0.00 H new ATOM 568 N LEU A 37 0.685 1.837 12.476 1.00 0.00 N ATOM 569 CA LEU A 37 0.516 3.018 13.316 1.00 0.00 C ATOM 570 C LEU A 37 0.777 2.685 14.782 1.00 0.00 C ATOM 571 O LEU A 37 1.602 3.322 15.436 1.00 0.00 O ATOM 572 CB LEU A 37 -0.894 3.586 13.153 1.00 0.00 C ATOM 573 CG LEU A 37 -1.241 4.134 11.769 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.718 4.490 11.690 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.381 5.347 11.443 1.00 0.00 C ATOM 0 H LEU A 37 -0.048 1.707 11.779 1.00 0.00 H new ATOM 0 HA LEU A 37 1.241 3.767 12.998 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.610 2.803 13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.029 4.385 13.882 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.035 3.358 11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.946 4.878 10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.318 3.599 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.950 5.248 12.438 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.642 5.723 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.555 6.126 12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.671 5.061 11.456 1.00 0.00 H new ATOM 587 N SER A 38 0.069 1.682 15.290 1.00 0.00 N ATOM 588 CA SER A 38 0.222 1.265 16.679 1.00 0.00 C ATOM 589 C SER A 38 -0.601 0.012 16.965 1.00 0.00 C ATOM 590 O SER A 38 -1.491 -0.347 16.194 1.00 0.00 O ATOM 591 CB SER A 38 -0.202 2.393 17.622 1.00 0.00 C ATOM 592 OG SER A 38 0.432 2.268 18.884 1.00 0.00 O ATOM 0 H SER A 38 -0.616 1.143 14.761 1.00 0.00 H new ATOM 0 HA SER A 38 1.274 1.034 16.849 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.050 3.356 17.179 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.284 2.375 17.752 1.00 0.00 H new ATOM 0 HG SER A 38 0.146 3.001 19.468 1.00 0.00 H new ATOM 598 N GLN A 39 -0.295 -0.648 18.077 1.00 0.00 N ATOM 599 CA GLN A 39 -1.006 -1.861 18.464 1.00 0.00 C ATOM 600 C GLN A 39 -1.701 -1.679 19.809 1.00 0.00 C ATOM 601 O GLN A 39 -1.103 -1.190 20.767 1.00 0.00 O ATOM 602 CB GLN A 39 -0.038 -3.044 18.533 1.00 0.00 C ATOM 603 CG GLN A 39 -0.732 -4.394 18.609 1.00 0.00 C ATOM 604 CD GLN A 39 0.243 -5.545 18.758 1.00 0.00 C ATOM 605 OE1 GLN A 39 0.856 -5.984 17.785 1.00 0.00 O ATOM 606 NE2 GLN A 39 0.393 -6.039 19.982 1.00 0.00 N ATOM 0 H GLN A 39 0.439 -0.364 18.725 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.765 -2.064 17.708 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.608 -3.026 17.655 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.605 -2.926 19.405 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.422 -4.396 19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.328 -4.543 17.709 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.136 -5.644 20.760 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.037 -6.813 20.144 1.00 0.00 H new ATOM 615 N SER A 40 -2.968 -2.076 19.873 1.00 0.00 N ATOM 616 CA SER A 40 -3.746 -1.952 21.100 1.00 0.00 C ATOM 617 C SER A 40 -4.461 -3.261 21.424 1.00 0.00 C ATOM 618 O SER A 40 -4.511 -4.174 20.602 1.00 0.00 O ATOM 619 CB SER A 40 -4.767 -0.820 20.970 1.00 0.00 C ATOM 620 OG SER A 40 -5.516 -0.944 19.774 1.00 0.00 O ATOM 0 H SER A 40 -3.477 -2.486 19.090 1.00 0.00 H new ATOM 0 HA SER A 40 -3.059 -1.721 21.914 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.440 -0.833 21.827 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.253 0.141 20.983 1.00 0.00 H new ATOM 0 HG SER A 40 -6.163 -0.210 19.715 1.00 0.00 H new ATOM 626 N GLY A 41 -5.013 -3.343 22.631 1.00 0.00 N ATOM 627 CA GLY A 41 -5.717 -4.543 23.044 1.00 0.00 C ATOM 628 C GLY A 41 -4.797 -5.564 23.684 1.00 0.00 C ATOM 629 O GLY A 41 -3.629 -5.291 23.962 1.00 0.00 O ATOM 0 H GLY A 41 -4.985 -2.600 23.330 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.503 -4.275 23.749 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.205 -4.990 22.178 1.00 0.00 H new ATOM 633 N PRO A 42 -5.327 -6.772 23.928 1.00 0.00 N ATOM 634 CA PRO A 42 -4.562 -7.861 24.543 1.00 0.00 C ATOM 635 C PRO A 42 -3.487 -8.413 23.613 1.00 0.00 C ATOM 636 O PRO A 42 -3.232 -7.857 22.544 1.00 0.00 O ATOM 637 CB PRO A 42 -5.625 -8.927 24.823 1.00 0.00 C ATOM 638 CG PRO A 42 -6.702 -8.657 23.830 1.00 0.00 C ATOM 639 CD PRO A 42 -6.712 -7.167 23.623 1.00 0.00 C ATOM 0 HA PRO A 42 -4.025 -7.530 25.432 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.219 -9.932 24.704 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.000 -8.854 25.844 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.509 -9.180 22.893 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.667 -9.006 24.197 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.989 -6.905 22.602 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.425 -6.674 24.284 1.00 0.00 H new ATOM 647 N VAL A 43 -2.860 -9.510 24.025 1.00 0.00 N ATOM 648 CA VAL A 43 -1.814 -10.138 23.227 1.00 0.00 C ATOM 649 C VAL A 43 -2.393 -11.196 22.295 1.00 0.00 C ATOM 650 O VAL A 43 -1.786 -11.547 21.283 1.00 0.00 O ATOM 651 CB VAL A 43 -0.741 -10.788 24.120 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.379 -11.768 25.094 1.00 0.00 C ATOM 653 CG2 VAL A 43 0.313 -11.480 23.269 1.00 0.00 C ATOM 0 H VAL A 43 -3.058 -9.982 24.907 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.353 -9.349 22.633 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.251 -10.004 24.698 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.606 -12.218 25.717 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.093 -11.240 25.726 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.896 -12.549 24.537 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.063 -11.934 23.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.159 -12.253 22.663 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.791 -10.749 22.617 1.00 0.00 H new ATOM 663 N HIS A 44 -3.573 -11.700 22.642 1.00 0.00 N ATOM 664 CA HIS A 44 -4.237 -12.719 21.835 1.00 0.00 C ATOM 665 C HIS A 44 -5.143 -12.077 20.789 1.00 0.00 C ATOM 666 O HIS A 44 -5.324 -12.616 19.697 1.00 0.00 O ATOM 667 CB HIS A 44 -5.051 -13.655 22.728 1.00 0.00 C ATOM 668 CG HIS A 44 -6.089 -12.951 23.546 1.00 0.00 C ATOM 669 ND1 HIS A 44 -5.815 -12.357 24.760 1.00 0.00 N ATOM 670 CD2 HIS A 44 -7.407 -12.745 23.318 1.00 0.00 C ATOM 671 CE1 HIS A 44 -6.919 -11.818 25.244 1.00 0.00 C ATOM 672 NE2 HIS A 44 -7.900 -12.039 24.388 1.00 0.00 N ATOM 0 H HIS A 44 -4.089 -11.420 23.476 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.470 -13.297 21.320 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.538 -14.405 22.105 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.373 -14.187 23.396 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.967 -13.074 22.455 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.005 -11.287 26.180 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.867 -11.735 24.503 1.00 0.00 H new ATOM 681 N ALA A 45 -5.710 -10.925 21.131 1.00 0.00 N ATOM 682 CA ALA A 45 -6.596 -10.210 20.220 1.00 0.00 C ATOM 683 C ALA A 45 -6.111 -8.784 19.989 1.00 0.00 C ATOM 684 O ALA A 45 -6.862 -7.817 20.121 1.00 0.00 O ATOM 685 CB ALA A 45 -8.018 -10.205 20.764 1.00 0.00 C ATOM 0 H ALA A 45 -5.572 -10.467 22.032 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.587 -10.728 19.261 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.669 -9.668 20.075 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.370 -11.231 20.871 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.034 -9.712 21.736 1.00 0.00 H new ATOM 691 N PRO A 46 -4.824 -8.645 19.636 1.00 0.00 N ATOM 692 CA PRO A 46 -4.210 -7.340 19.379 1.00 0.00 C ATOM 693 C PRO A 46 -4.732 -6.695 18.099 1.00 0.00 C ATOM 694 O PRO A 46 -4.980 -7.377 17.105 1.00 0.00 O ATOM 695 CB PRO A 46 -2.721 -7.669 19.243 1.00 0.00 C ATOM 696 CG PRO A 46 -2.686 -9.094 18.809 1.00 0.00 C ATOM 697 CD PRO A 46 -3.870 -9.753 19.460 1.00 0.00 C ATOM 0 HA PRO A 46 -4.432 -6.623 20.169 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.237 -7.021 18.512 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.197 -7.530 20.189 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.743 -9.173 17.723 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.756 -9.573 19.115 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.284 -10.544 18.834 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.602 -10.208 20.414 1.00 0.00 H new ATOM 705 N VAL A 47 -4.897 -5.376 18.131 1.00 0.00 N ATOM 706 CA VAL A 47 -5.388 -4.639 16.973 1.00 0.00 C ATOM 707 C VAL A 47 -4.239 -4.006 16.196 1.00 0.00 C ATOM 708 O VAL A 47 -3.687 -2.984 16.606 1.00 0.00 O ATOM 709 CB VAL A 47 -6.381 -3.538 17.388 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.839 -2.745 16.174 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.570 -4.141 18.121 1.00 0.00 C ATOM 0 H VAL A 47 -4.698 -4.796 18.946 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.901 -5.358 16.335 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.873 -2.854 18.068 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.540 -1.972 16.488 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.976 -2.280 15.696 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.329 -3.414 15.466 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.261 -3.348 18.407 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.080 -4.849 17.467 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.222 -4.659 19.015 1.00 0.00 H new ATOM 721 N PHE A 48 -3.882 -4.619 15.073 1.00 0.00 N ATOM 722 CA PHE A 48 -2.798 -4.116 14.238 1.00 0.00 C ATOM 723 C PHE A 48 -3.303 -3.040 13.281 1.00 0.00 C ATOM 724 O PHE A 48 -3.949 -3.339 12.276 1.00 0.00 O ATOM 725 CB PHE A 48 -2.161 -5.260 13.447 1.00 0.00 C ATOM 726 CG PHE A 48 -1.345 -6.193 14.294 1.00 0.00 C ATOM 727 CD1 PHE A 48 -0.014 -5.919 14.566 1.00 0.00 C ATOM 728 CD2 PHE A 48 -1.908 -7.346 14.819 1.00 0.00 C ATOM 729 CE1 PHE A 48 0.740 -6.776 15.346 1.00 0.00 C ATOM 730 CE2 PHE A 48 -1.159 -8.206 15.600 1.00 0.00 C ATOM 731 CZ PHE A 48 0.166 -7.921 15.863 1.00 0.00 C ATOM 0 H PHE A 48 -4.328 -5.466 14.720 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.046 -3.673 14.891 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.947 -5.828 12.949 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.526 -4.842 12.666 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.440 -5.025 14.164 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.944 -7.575 14.615 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.776 -6.551 15.551 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.610 -9.100 16.004 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.753 -8.592 16.472 1.00 0.00 H new ATOM 741 N THR A 49 -3.003 -1.784 13.600 1.00 0.00 N ATOM 742 CA THR A 49 -3.427 -0.663 12.770 1.00 0.00 C ATOM 743 C THR A 49 -2.404 -0.368 11.679 1.00 0.00 C ATOM 744 O THR A 49 -1.344 0.197 11.946 1.00 0.00 O ATOM 745 CB THR A 49 -3.643 0.608 13.613 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.626 0.364 14.625 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.087 1.769 12.736 1.00 0.00 C ATOM 0 H THR A 49 -2.468 -1.518 14.427 1.00 0.00 H new ATOM 0 HA THR A 49 -4.372 -0.950 12.309 1.00 0.00 H new ATOM 0 HB THR A 49 -2.696 0.871 14.084 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.756 1.176 15.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.233 2.656 13.353 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.323 1.971 11.986 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.023 1.513 12.240 1.00 0.00 H new ATOM 755 N MET A 50 -2.729 -0.755 10.450 1.00 0.00 N ATOM 756 CA MET A 50 -1.838 -0.530 9.318 1.00 0.00 C ATOM 757 C MET A 50 -2.157 0.793 8.629 1.00 0.00 C ATOM 758 O MET A 50 -3.158 1.439 8.940 1.00 0.00 O ATOM 759 CB MET A 50 -1.950 -1.680 8.316 1.00 0.00 C ATOM 760 CG MET A 50 -0.992 -2.827 8.596 1.00 0.00 C ATOM 761 SD MET A 50 0.685 -2.483 8.032 1.00 0.00 S ATOM 762 CE MET A 50 1.643 -3.391 9.243 1.00 0.00 C ATOM 0 H MET A 50 -3.602 -1.226 10.213 1.00 0.00 H new ATOM 0 HA MET A 50 -0.817 -0.485 9.696 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.971 -2.060 8.325 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.761 -1.297 7.313 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.977 -3.030 9.667 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.358 -3.729 8.106 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.419 -2.744 9.652 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.988 -3.726 10.047 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.105 -4.256 8.767 1.00 0.00 H new ATOM 772 N SER A 51 -1.301 1.190 7.693 1.00 0.00 N ATOM 773 CA SER A 51 -1.491 2.438 6.964 1.00 0.00 C ATOM 774 C SER A 51 -0.568 2.504 5.751 1.00 0.00 C ATOM 775 O SER A 51 0.550 1.989 5.778 1.00 0.00 O ATOM 776 CB SER A 51 -1.231 3.635 7.881 1.00 0.00 C ATOM 777 OG SER A 51 0.158 3.836 8.076 1.00 0.00 O ATOM 0 H SER A 51 -0.469 0.665 7.422 1.00 0.00 H new ATOM 0 HA SER A 51 -2.524 2.473 6.617 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.674 4.532 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.717 3.472 8.843 1.00 0.00 H new ATOM 0 HG SER A 51 0.298 4.608 8.664 1.00 0.00 H new ATOM 783 N VAL A 52 -1.044 3.142 4.686 1.00 0.00 N ATOM 784 CA VAL A 52 -0.263 3.277 3.463 1.00 0.00 C ATOM 785 C VAL A 52 -0.476 4.644 2.823 1.00 0.00 C ATOM 786 O VAL A 52 -1.516 5.275 3.012 1.00 0.00 O ATOM 787 CB VAL A 52 -0.626 2.182 2.441 1.00 0.00 C ATOM 788 CG1 VAL A 52 -1.983 2.465 1.815 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.451 2.073 1.373 1.00 0.00 C ATOM 0 H VAL A 52 -1.967 3.574 4.646 1.00 0.00 H new ATOM 0 HA VAL A 52 0.785 3.169 3.743 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.686 1.227 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.223 1.682 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.745 2.488 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.955 3.428 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.179 1.295 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.545 3.026 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.403 1.820 1.840 1.00 0.00 H new ATOM 799 N ASP A 53 0.516 5.097 2.064 1.00 0.00 N ATOM 800 CA ASP A 53 0.437 6.390 1.394 1.00 0.00 C ATOM 801 C ASP A 53 0.248 6.212 -0.110 1.00 0.00 C ATOM 802 O ASP A 53 1.101 5.643 -0.791 1.00 0.00 O ATOM 803 CB ASP A 53 1.700 7.208 1.668 1.00 0.00 C ATOM 804 CG ASP A 53 2.960 6.368 1.600 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.146 5.506 2.484 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.761 6.573 0.664 1.00 0.00 O ATOM 0 H ASP A 53 1.384 4.588 1.897 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.426 6.925 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.768 8.019 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.625 7.667 2.654 1.00 0.00 H new ATOM 811 N VAL A 54 -0.878 6.701 -0.621 1.00 0.00 N ATOM 812 CA VAL A 54 -1.180 6.597 -2.043 1.00 0.00 C ATOM 813 C VAL A 54 -1.829 7.875 -2.563 1.00 0.00 C ATOM 814 O VAL A 54 -2.782 8.384 -1.972 1.00 0.00 O ATOM 815 CB VAL A 54 -2.112 5.406 -2.333 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.439 5.331 -3.817 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.482 4.107 -1.852 1.00 0.00 C ATOM 0 H VAL A 54 -1.596 7.173 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.232 6.440 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.044 5.556 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.099 4.483 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.935 6.251 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.518 5.205 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.154 3.276 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.535 3.949 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.305 4.164 -0.778 1.00 0.00 H new ATOM 827 N ASP A 55 -1.308 8.388 -3.672 1.00 0.00 N ATOM 828 CA ASP A 55 -1.838 9.606 -4.273 1.00 0.00 C ATOM 829 C ASP A 55 -2.100 10.668 -3.209 1.00 0.00 C ATOM 830 O ASP A 55 -3.128 11.343 -3.231 1.00 0.00 O ATOM 831 CB ASP A 55 -3.128 9.304 -5.038 1.00 0.00 C ATOM 832 CG ASP A 55 -3.376 10.287 -6.164 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.542 10.352 -7.091 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.406 10.992 -6.120 1.00 0.00 O ATOM 0 H ASP A 55 -0.519 7.979 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.093 9.991 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.078 8.294 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.971 9.327 -4.347 1.00 0.00 H new ATOM 839 N GLY A 56 -1.163 10.807 -2.276 1.00 0.00 N ATOM 840 CA GLY A 56 -1.312 11.787 -1.215 1.00 0.00 C ATOM 841 C GLY A 56 -2.492 11.488 -0.312 1.00 0.00 C ATOM 842 O GLY A 56 -3.096 12.399 0.255 1.00 0.00 O ATOM 0 H GLY A 56 -0.304 10.259 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.400 11.814 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.436 12.777 -1.654 1.00 0.00 H new ATOM 846 N THR A 57 -2.824 10.208 -0.178 1.00 0.00 N ATOM 847 CA THR A 57 -3.941 9.792 0.661 1.00 0.00 C ATOM 848 C THR A 57 -3.514 8.712 1.649 1.00 0.00 C ATOM 849 O THR A 57 -3.347 7.549 1.281 1.00 0.00 O ATOM 850 CB THR A 57 -5.112 9.261 -0.187 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.344 10.131 -1.301 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.379 9.151 0.648 1.00 0.00 C ATOM 0 H THR A 57 -2.335 9.441 -0.640 1.00 0.00 H new ATOM 0 HA THR A 57 -4.270 10.674 1.210 1.00 0.00 H new ATOM 0 HB THR A 57 -4.847 8.268 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.089 9.786 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.192 8.774 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.209 8.466 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.645 10.134 1.037 1.00 0.00 H new ATOM 860 N THR A 58 -3.340 9.104 2.907 1.00 0.00 N ATOM 861 CA THR A 58 -2.933 8.170 3.949 1.00 0.00 C ATOM 862 C THR A 58 -4.116 7.344 4.441 1.00 0.00 C ATOM 863 O THR A 58 -5.012 7.861 5.108 1.00 0.00 O ATOM 864 CB THR A 58 -2.301 8.904 5.147 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.243 9.757 4.696 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.760 7.913 6.166 1.00 0.00 C ATOM 0 H THR A 58 -3.475 10.062 3.229 1.00 0.00 H new ATOM 0 HA THR A 58 -2.190 7.507 3.505 1.00 0.00 H new ATOM 0 HB THR A 58 -3.074 9.506 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.848 10.221 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.319 8.455 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.573 7.285 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.000 7.288 5.698 1.00 0.00 H new ATOM 874 N TYR A 59 -4.112 6.058 4.107 1.00 0.00 N ATOM 875 CA TYR A 59 -5.187 5.160 4.514 1.00 0.00 C ATOM 876 C TYR A 59 -4.848 4.463 5.828 1.00 0.00 C ATOM 877 O TYR A 59 -3.680 4.360 6.204 1.00 0.00 O ATOM 878 CB TYR A 59 -5.450 4.119 3.424 1.00 0.00 C ATOM 879 CG TYR A 59 -6.031 4.703 2.156 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.208 5.249 1.179 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.402 4.706 1.935 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.735 5.784 0.020 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.938 5.238 0.778 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.100 5.776 -0.177 1.00 0.00 C ATOM 885 OH TYR A 59 -7.628 6.307 -1.331 1.00 0.00 O ATOM 0 H TYR A 59 -3.377 5.614 3.556 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.087 5.756 4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.515 3.611 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.133 3.363 3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.138 5.255 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.061 4.285 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.081 6.207 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.007 5.233 0.622 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.985 6.204 -2.063 1.00 0.00 H new ATOM 895 N GLU A 60 -5.877 3.987 6.521 1.00 0.00 N ATOM 896 CA GLU A 60 -5.688 3.300 7.793 1.00 0.00 C ATOM 897 C GLU A 60 -6.770 2.245 8.007 1.00 0.00 C ATOM 898 O GLU A 60 -7.959 2.561 8.056 1.00 0.00 O ATOM 899 CB GLU A 60 -5.703 4.304 8.947 1.00 0.00 C ATOM 900 CG GLU A 60 -4.644 5.386 8.826 1.00 0.00 C ATOM 901 CD GLU A 60 -4.900 6.559 9.752 1.00 0.00 C ATOM 902 OE1 GLU A 60 -4.968 6.341 10.980 1.00 0.00 O ATOM 903 OE2 GLU A 60 -5.032 7.695 9.250 1.00 0.00 O ATOM 0 H GLU A 60 -6.850 4.064 6.223 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.719 2.802 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.686 4.773 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.558 3.769 9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.666 4.959 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.609 5.742 7.796 1.00 0.00 H new ATOM 910 N ALA A 61 -6.349 0.991 8.135 1.00 0.00 N ATOM 911 CA ALA A 61 -7.280 -0.110 8.346 1.00 0.00 C ATOM 912 C ALA A 61 -6.837 -0.988 9.511 1.00 0.00 C ATOM 913 O ALA A 61 -5.729 -1.523 9.511 1.00 0.00 O ATOM 914 CB ALA A 61 -7.413 -0.940 7.078 1.00 0.00 C ATOM 0 H ALA A 61 -5.369 0.712 8.096 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.254 0.313 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.112 -1.759 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.784 -0.311 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.439 -1.346 6.805 1.00 0.00 H new ATOM 920 N SER A 62 -7.711 -1.132 10.503 1.00 0.00 N ATOM 921 CA SER A 62 -7.407 -1.943 11.677 1.00 0.00 C ATOM 922 C SER A 62 -7.991 -3.345 11.535 1.00 0.00 C ATOM 923 O SER A 62 -9.140 -3.513 11.126 1.00 0.00 O ATOM 924 CB SER A 62 -7.955 -1.275 12.939 1.00 0.00 C ATOM 925 OG SER A 62 -9.370 -1.204 12.905 1.00 0.00 O ATOM 0 H SER A 62 -8.634 -0.698 10.517 1.00 0.00 H new ATOM 0 HA SER A 62 -6.323 -2.027 11.760 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.637 -1.835 13.818 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.540 -0.272 13.033 1.00 0.00 H new ATOM 0 HG SER A 62 -9.696 -0.775 13.723 1.00 0.00 H new ATOM 931 N GLY A 63 -7.191 -4.350 11.876 1.00 0.00 N ATOM 932 CA GLY A 63 -7.645 -5.725 11.780 1.00 0.00 C ATOM 933 C GLY A 63 -7.164 -6.577 12.938 1.00 0.00 C ATOM 934 O GLY A 63 -6.348 -6.149 13.755 1.00 0.00 O ATOM 0 H GLY A 63 -6.236 -4.237 12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.734 -5.743 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.291 -6.157 10.844 1.00 0.00 H new ATOM 938 N PRO A 64 -7.677 -7.813 13.022 1.00 0.00 N ATOM 939 CA PRO A 64 -7.310 -8.753 14.086 1.00 0.00 C ATOM 940 C PRO A 64 -5.875 -9.251 13.950 1.00 0.00 C ATOM 941 O PRO A 64 -5.312 -9.813 14.888 1.00 0.00 O ATOM 942 CB PRO A 64 -8.297 -9.907 13.896 1.00 0.00 C ATOM 943 CG PRO A 64 -8.679 -9.846 12.457 1.00 0.00 C ATOM 944 CD PRO A 64 -8.654 -8.390 12.083 1.00 0.00 C ATOM 0 HA PRO A 64 -7.358 -8.291 15.072 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.839 -10.865 14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.168 -9.794 14.542 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.983 -10.418 11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.669 -10.273 12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.348 -8.247 11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.636 -7.930 12.192 1.00 0.00 H new ATOM 952 N SER A 65 -5.290 -9.041 12.775 1.00 0.00 N ATOM 953 CA SER A 65 -3.921 -9.472 12.515 1.00 0.00 C ATOM 954 C SER A 65 -3.240 -8.544 11.514 1.00 0.00 C ATOM 955 O SER A 65 -3.902 -7.833 10.758 1.00 0.00 O ATOM 956 CB SER A 65 -3.908 -10.908 11.987 1.00 0.00 C ATOM 957 OG SER A 65 -4.798 -11.058 10.895 1.00 0.00 O ATOM 0 H SER A 65 -5.742 -8.575 11.988 1.00 0.00 H new ATOM 0 HA SER A 65 -3.369 -9.432 13.454 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.898 -11.175 11.676 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.188 -11.595 12.786 1.00 0.00 H new ATOM 0 HG SER A 65 -5.096 -10.175 10.592 1.00 0.00 H new ATOM 963 N LYS A 66 -1.911 -8.556 11.515 1.00 0.00 N ATOM 964 CA LYS A 66 -1.137 -7.717 10.608 1.00 0.00 C ATOM 965 C LYS A 66 -1.544 -7.964 9.159 1.00 0.00 C ATOM 966 O LYS A 66 -1.725 -7.024 8.385 1.00 0.00 O ATOM 967 CB LYS A 66 0.359 -7.988 10.782 1.00 0.00 C ATOM 968 CG LYS A 66 1.241 -6.825 10.361 1.00 0.00 C ATOM 969 CD LYS A 66 2.583 -6.857 11.072 1.00 0.00 C ATOM 970 CE LYS A 66 2.467 -6.358 12.504 1.00 0.00 C ATOM 971 NZ LYS A 66 3.752 -6.494 13.244 1.00 0.00 N ATOM 0 H LYS A 66 -1.347 -9.138 12.135 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.342 -6.675 10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.558 -8.224 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.630 -8.868 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.399 -6.858 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.734 -5.885 10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.972 -7.875 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.299 -6.241 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.159 -5.313 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.688 -6.918 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.632 -6.143 14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.034 -7.495 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.489 -5.939 12.764 1.00 0.00 H new ATOM 985 N LYS A 67 -1.689 -9.235 8.798 1.00 0.00 N ATOM 986 CA LYS A 67 -2.077 -9.606 7.442 1.00 0.00 C ATOM 987 C LYS A 67 -3.404 -8.957 7.059 1.00 0.00 C ATOM 988 O LYS A 67 -3.483 -8.208 6.085 1.00 0.00 O ATOM 989 CB LYS A 67 -2.188 -11.127 7.320 1.00 0.00 C ATOM 990 CG LYS A 67 -2.786 -11.590 6.002 1.00 0.00 C ATOM 991 CD LYS A 67 -1.726 -11.709 4.920 1.00 0.00 C ATOM 992 CE LYS A 67 -2.350 -11.926 3.550 1.00 0.00 C ATOM 993 NZ LYS A 67 -1.361 -11.732 2.454 1.00 0.00 N ATOM 0 H LYS A 67 -1.544 -10.026 9.426 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.307 -9.248 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.197 -11.565 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.799 -11.505 8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.274 -12.554 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.555 -10.886 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.117 -10.805 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.059 -12.539 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.762 -12.934 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.181 -11.234 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.845 -11.788 1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.912 -10.799 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.634 -12.473 2.508 1.00 0.00 H new ATOM 1007 N THR A 68 -4.445 -9.248 7.834 1.00 0.00 N ATOM 1008 CA THR A 68 -5.767 -8.692 7.576 1.00 0.00 C ATOM 1009 C THR A 68 -5.727 -7.169 7.544 1.00 0.00 C ATOM 1010 O THR A 68 -6.496 -6.534 6.822 1.00 0.00 O ATOM 1011 CB THR A 68 -6.784 -9.145 8.641 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.159 -9.188 9.928 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.350 -10.516 8.301 1.00 0.00 C ATOM 0 H THR A 68 -4.397 -9.865 8.645 1.00 0.00 H new ATOM 0 HA THR A 68 -6.082 -9.065 6.601 1.00 0.00 H new ATOM 0 HB THR A 68 -7.603 -8.426 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.431 -8.533 9.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.066 -10.814 9.067 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.851 -10.473 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.540 -11.244 8.258 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.826 -6.588 8.330 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.685 -5.139 8.388 1.00 0.00 C ATOM 1023 C ALA A 69 -4.150 -4.586 7.072 1.00 0.00 C ATOM 1024 O ALA A 69 -4.687 -3.621 6.528 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.771 -4.744 9.539 1.00 0.00 C ATOM 0 H ALA A 69 -4.183 -7.099 8.935 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.672 -4.709 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.674 -3.659 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.195 -5.098 10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.788 -5.192 9.393 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.088 -5.202 6.565 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.479 -4.773 5.311 1.00 0.00 C ATOM 1033 C LYS A 70 -3.446 -4.955 4.146 1.00 0.00 C ATOM 1034 O LYS A 70 -3.459 -4.160 3.206 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.193 -5.560 5.049 1.00 0.00 C ATOM 1036 CG LYS A 70 0.047 -4.914 5.640 1.00 0.00 C ATOM 1037 CD LYS A 70 1.141 -5.937 5.897 1.00 0.00 C ATOM 1038 CE LYS A 70 1.991 -6.167 4.657 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.315 -6.760 4.994 1.00 0.00 N ATOM 0 H LYS A 70 -2.630 -6.001 7.004 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.238 -3.714 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.301 -6.563 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.057 -5.670 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.418 -4.147 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.212 -4.415 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.775 -5.596 6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.693 -6.879 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.461 -6.828 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.139 -5.220 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.864 -6.901 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.832 -6.118 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.175 -7.676 5.467 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.256 -6.006 4.215 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.229 -6.292 3.166 1.00 0.00 C ATOM 1055 C LEU A 71 -6.376 -5.287 3.198 1.00 0.00 C ATOM 1056 O LEU A 71 -6.680 -4.643 2.192 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.776 -7.712 3.323 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.674 -8.214 2.193 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -5.894 -8.302 0.890 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.275 -9.566 2.549 1.00 0.00 C ATOM 0 H LEU A 71 -4.258 -6.674 4.986 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.724 -6.208 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.933 -8.396 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.337 -7.762 4.256 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.488 -7.501 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.550 -8.661 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.513 -7.315 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.060 -8.993 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.911 -9.908 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.475 -10.288 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.870 -9.472 3.458 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.008 -5.155 4.360 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.120 -4.225 4.523 1.00 0.00 C ATOM 1074 C HIS A 72 -7.782 -2.863 3.924 1.00 0.00 C ATOM 1075 O HIS A 72 -8.570 -2.293 3.169 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.469 -4.071 6.004 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.051 -5.309 6.614 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -8.976 -6.605 6.230 1.00 0.00 N flip ATOM 1079 CD2 HIS A 72 -9.819 -5.295 7.759 1.00 0.00 C flip ATOM 1080 CE1 HIS A 72 -9.690 -7.342 7.142 1.00 0.00 C flip ATOM 1081 NE2 HIS A 72 -10.188 -6.528 8.055 1.00 0.00 N flip ATOM 0 H HIS A 72 -6.770 -5.680 5.202 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.982 -4.631 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.570 -3.793 6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.178 -3.251 6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.078 -4.413 8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.823 -8.414 7.117 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.760 -6.805 8.853 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.606 -2.346 4.267 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.165 -1.052 3.762 1.00 0.00 C ATOM 1092 C VAL A 73 -6.362 -0.953 2.254 1.00 0.00 C ATOM 1093 O VAL A 73 -7.087 -0.085 1.768 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.682 -0.797 4.092 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.125 0.320 3.223 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.514 -0.469 5.568 1.00 0.00 C ATOM 0 H VAL A 73 -5.942 -2.804 4.892 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.776 -0.296 4.255 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.119 -1.706 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.077 0.485 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.210 0.041 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.689 1.236 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.460 -0.292 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.089 0.425 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.872 -1.305 6.169 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.713 -1.849 1.518 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.819 -1.865 0.064 1.00 0.00 C ATOM 1108 C ALA A 74 -7.264 -1.672 -0.383 1.00 0.00 C ATOM 1109 O ALA A 74 -7.563 -0.790 -1.189 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.262 -3.167 -0.492 1.00 0.00 C ATOM 0 H ALA A 74 -5.108 -2.574 1.905 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.231 -1.035 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.348 -3.165 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.213 -3.264 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.825 -4.007 -0.085 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.158 -2.502 0.144 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.572 -2.423 -0.200 1.00 0.00 C ATOM 1118 C VAL A 75 -10.074 -0.985 -0.133 1.00 0.00 C ATOM 1119 O VAL A 75 -10.712 -0.493 -1.065 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.428 -3.297 0.735 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.900 -3.190 0.368 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.961 -4.744 0.685 1.00 0.00 C ATOM 0 H VAL A 75 -7.927 -3.238 0.812 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.670 -2.793 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.306 -2.934 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.489 -3.815 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.223 -2.153 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.044 -3.526 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.576 -5.348 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.052 -5.121 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.920 -4.801 1.001 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.781 -0.313 0.975 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.201 1.071 1.165 1.00 0.00 C ATOM 1134 C LYS A 76 -9.702 1.952 0.024 1.00 0.00 C ATOM 1135 O LYS A 76 -10.445 2.778 -0.506 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.679 1.604 2.501 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.446 1.084 3.705 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.587 1.087 4.958 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.427 1.283 6.210 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.211 0.063 6.549 1.00 0.00 N ATOM 0 H LYS A 76 -9.254 -0.704 1.756 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.291 1.097 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.628 1.333 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.728 2.693 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.330 1.700 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.796 0.071 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.041 0.146 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.844 1.882 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.777 1.541 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.107 2.122 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.770 0.237 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.850 -0.169 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.561 -0.732 6.714 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.439 1.770 -0.349 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.842 2.547 -1.429 1.00 0.00 C ATOM 1156 C VAL A 77 -8.603 2.348 -2.735 1.00 0.00 C ATOM 1157 O VAL A 77 -9.014 3.313 -3.381 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.365 2.165 -1.645 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.736 3.049 -2.710 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.595 2.261 -0.337 1.00 0.00 C ATOM 0 H VAL A 77 -7.810 1.092 0.081 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.900 3.595 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.320 1.133 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.693 2.765 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.274 2.926 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.789 4.091 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.554 1.988 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.645 3.282 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.033 1.582 0.394 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.788 1.089 -3.119 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.501 0.762 -4.349 1.00 0.00 C ATOM 1172 C LEU A 78 -10.901 1.367 -4.344 1.00 0.00 C ATOM 1173 O LEU A 78 -11.370 1.879 -5.361 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.589 -0.755 -4.523 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.264 -1.516 -4.453 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.511 -3.017 -4.442 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.365 -1.130 -5.618 1.00 0.00 C ATOM 0 H LEU A 78 -8.454 0.279 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.945 1.186 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.254 -1.151 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.055 -0.964 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.759 -1.245 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.557 -3.542 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.116 -3.280 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.037 -3.306 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.427 -1.681 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.863 -1.372 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.161 -0.060 -5.581 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.563 1.304 -3.193 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.910 1.847 -3.057 1.00 0.00 C ATOM 1191 C GLN A 79 -12.911 3.359 -3.260 1.00 0.00 C ATOM 1192 O GLN A 79 -13.818 3.910 -3.882 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.482 1.505 -1.680 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.794 0.028 -1.500 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.213 -0.311 -0.083 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -13.542 0.060 0.881 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.327 -1.021 0.051 1.00 0.00 N ATOM 0 H GLN A 79 -11.189 0.883 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.537 1.396 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.771 1.814 -0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.393 2.082 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.589 -0.258 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.916 -0.560 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.852 -1.307 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.658 -1.280 0.980 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.888 4.022 -2.731 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.770 5.470 -2.856 1.00 0.00 C ATOM 1208 C ALA A 80 -11.691 5.890 -4.320 1.00 0.00 C ATOM 1209 O ALA A 80 -12.372 6.822 -4.746 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.550 5.968 -2.096 1.00 0.00 C ATOM 0 H ALA A 80 -11.129 3.580 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.663 5.921 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.475 7.051 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.647 5.709 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.653 5.502 -2.503 1.00 0.00 H new ATOM 1216 N MET A 81 -10.854 5.196 -5.085 1.00 0.00 N ATOM 1217 CA MET A 81 -10.687 5.498 -6.502 1.00 0.00 C ATOM 1218 C MET A 81 -11.949 5.149 -7.285 1.00 0.00 C ATOM 1219 O MET A 81 -12.252 5.772 -8.302 1.00 0.00 O ATOM 1220 CB MET A 81 -9.492 4.731 -7.071 1.00 0.00 C ATOM 1221 CG MET A 81 -8.201 4.958 -6.301 1.00 0.00 C ATOM 1222 SD MET A 81 -6.736 4.814 -7.341 1.00 0.00 S ATOM 1223 CE MET A 81 -5.840 3.519 -6.487 1.00 0.00 C ATOM 0 H MET A 81 -10.282 4.422 -4.748 1.00 0.00 H new ATOM 0 HA MET A 81 -10.504 6.568 -6.601 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.722 3.666 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.343 5.026 -8.110 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.223 5.949 -5.847 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.136 4.236 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.883 3.353 -6.981 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.668 3.817 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.424 2.599 -6.507 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.681 4.148 -6.804 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.901 3.734 -7.472 1.00 0.00 C ATOM 1235 C GLY A 82 -13.753 2.399 -8.175 1.00 0.00 C ATOM 1236 O GLY A 82 -14.329 2.184 -9.242 1.00 0.00 O ATOM 0 H GLY A 82 -12.451 3.617 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.707 3.669 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.190 4.494 -8.198 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.979 1.501 -7.577 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.753 0.181 -8.154 1.00 0.00 C ATOM 1242 C TYR A 83 -13.637 -0.866 -7.482 1.00 0.00 C ATOM 1243 O TYR A 83 -14.051 -0.720 -6.332 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.282 -0.214 -8.018 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.388 0.407 -9.067 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.516 0.065 -10.408 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.416 1.336 -8.719 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.702 0.629 -11.370 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.598 1.907 -9.675 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.745 1.550 -10.999 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.931 2.115 -11.954 1.00 0.00 O ATOM 0 H TYR A 83 -12.497 1.663 -6.693 1.00 0.00 H new ATOM 0 HA TYR A 83 -13.013 0.226 -9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.926 0.078 -7.030 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.199 -1.299 -8.078 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.265 -0.655 -10.703 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.297 1.617 -7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.814 0.350 -12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.848 2.629 -9.387 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.313 2.744 -11.526 1.00 0.00 H new ATOM 1261 N PRO A 84 -13.933 -1.948 -8.217 1.00 0.00 N ATOM 1262 CA PRO A 84 -14.769 -3.042 -7.714 1.00 0.00 C ATOM 1263 C PRO A 84 -14.072 -3.851 -6.625 1.00 0.00 C ATOM 1264 O PRO A 84 -13.121 -4.586 -6.895 1.00 0.00 O ATOM 1265 CB PRO A 84 -15.005 -3.908 -8.954 1.00 0.00 C ATOM 1266 CG PRO A 84 -13.842 -3.625 -9.840 1.00 0.00 C ATOM 1267 CD PRO A 84 -13.474 -2.188 -9.595 1.00 0.00 C ATOM 0 HA PRO A 84 -15.686 -2.675 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.057 -4.965 -8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.946 -3.653 -9.442 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.007 -4.286 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.100 -3.789 -10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.401 -2.025 -9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.965 -1.521 -10.304 1.00 0.00 H new ATOM 1275 N THR A 85 -14.550 -3.711 -5.392 1.00 0.00 N ATOM 1276 CA THR A 85 -13.972 -4.428 -4.263 1.00 0.00 C ATOM 1277 C THR A 85 -14.999 -5.346 -3.610 1.00 0.00 C ATOM 1278 O THR A 85 -14.676 -6.454 -3.187 1.00 0.00 O ATOM 1279 CB THR A 85 -13.422 -3.456 -3.202 1.00 0.00 C ATOM 1280 OG1 THR A 85 -14.411 -2.472 -2.879 1.00 0.00 O ATOM 1281 CG2 THR A 85 -12.159 -2.769 -3.701 1.00 0.00 C ATOM 0 H THR A 85 -15.336 -3.107 -5.151 1.00 0.00 H new ATOM 0 HA THR A 85 -13.151 -5.027 -4.657 1.00 0.00 H new ATOM 0 HB THR A 85 -13.176 -4.029 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.628 -2.527 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.789 -2.087 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.398 -3.519 -3.918 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.384 -2.208 -4.608 1.00 0.00 H new ATOM 1289 N GLY A 86 -16.241 -4.876 -3.532 1.00 0.00 N ATOM 1290 CA GLY A 86 -17.297 -5.668 -2.930 1.00 0.00 C ATOM 1291 C GLY A 86 -17.054 -5.935 -1.458 1.00 0.00 C ATOM 1292 O GLY A 86 -17.290 -7.042 -0.973 1.00 0.00 O ATOM 0 H GLY A 86 -16.534 -3.961 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.249 -5.150 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.382 -6.617 -3.459 1.00 0.00 H new ATOM 1296 N PHE A 87 -16.580 -4.919 -0.744 1.00 0.00 N ATOM 1297 CA PHE A 87 -16.302 -5.050 0.682 1.00 0.00 C ATOM 1298 C PHE A 87 -17.060 -3.995 1.482 1.00 0.00 C ATOM 1299 O PHE A 87 -16.544 -2.908 1.743 1.00 0.00 O ATOM 1300 CB PHE A 87 -14.800 -4.923 0.944 1.00 0.00 C ATOM 1301 CG PHE A 87 -14.384 -5.425 2.297 1.00 0.00 C ATOM 1302 CD1 PHE A 87 -14.379 -4.577 3.393 1.00 0.00 C ATOM 1303 CD2 PHE A 87 -13.996 -6.743 2.473 1.00 0.00 C ATOM 1304 CE1 PHE A 87 -13.997 -5.035 4.640 1.00 0.00 C ATOM 1305 CE2 PHE A 87 -13.613 -7.207 3.717 1.00 0.00 C ATOM 1306 CZ PHE A 87 -13.612 -6.352 4.802 1.00 0.00 C ATOM 0 H PHE A 87 -16.380 -3.996 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.638 -6.036 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.257 -5.476 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.510 -3.877 0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.677 -3.546 3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -13.993 -7.416 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -13.999 -4.364 5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -13.315 -8.238 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.311 -6.712 5.775 1.00 0.00 H new ATOM 1316 N ASP A 88 -18.288 -4.323 1.869 1.00 0.00 N ATOM 1317 CA ASP A 88 -19.118 -3.406 2.640 1.00 0.00 C ATOM 1318 C ASP A 88 -19.075 -3.751 4.125 1.00 0.00 C ATOM 1319 O ASP A 88 -18.784 -4.887 4.500 1.00 0.00 O ATOM 1320 CB ASP A 88 -20.562 -3.444 2.137 1.00 0.00 C ATOM 1321 CG ASP A 88 -21.255 -4.752 2.466 1.00 0.00 C ATOM 1322 OD1 ASP A 88 -20.551 -5.769 2.640 1.00 0.00 O ATOM 1323 OD2 ASP A 88 -22.501 -4.759 2.549 1.00 0.00 O ATOM 0 H ASP A 88 -18.731 -5.218 1.661 1.00 0.00 H new ATOM 0 HA ASP A 88 -18.722 -2.399 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -21.120 -2.619 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -20.572 -3.292 1.058 1.00 0.00 H new ATOM 1328 N ALA A 89 -19.364 -2.763 4.966 1.00 0.00 N ATOM 1329 CA ALA A 89 -19.358 -2.963 6.410 1.00 0.00 C ATOM 1330 C ALA A 89 -20.760 -2.807 6.991 1.00 0.00 C ATOM 1331 O ALA A 89 -21.026 -1.877 7.752 1.00 0.00 O ATOM 1332 CB ALA A 89 -18.398 -1.988 7.074 1.00 0.00 C ATOM 0 H ALA A 89 -19.605 -1.816 4.672 1.00 0.00 H new ATOM 0 HA ALA A 89 -19.021 -3.980 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -18.404 -2.149 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -17.391 -2.149 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -18.710 -0.966 6.858 1.00 0.00 H new ATOM 1338 N ASP A 90 -21.651 -3.722 6.627 1.00 0.00 N ATOM 1339 CA ASP A 90 -23.026 -3.687 7.113 1.00 0.00 C ATOM 1340 C ASP A 90 -23.415 -5.021 7.741 1.00 0.00 C ATOM 1341 O ASP A 90 -24.429 -5.617 7.377 1.00 0.00 O ATOM 1342 CB ASP A 90 -23.984 -3.348 5.970 1.00 0.00 C ATOM 1343 CG ASP A 90 -25.381 -3.025 6.463 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -25.509 -2.181 7.374 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -26.347 -3.617 5.936 1.00 0.00 O ATOM 0 H ASP A 90 -21.446 -4.498 5.997 1.00 0.00 H new ATOM 0 HA ASP A 90 -23.096 -2.913 7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -23.593 -2.497 5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -24.031 -4.189 5.278 1.00 0.00 H new ATOM 1350 N ILE A 91 -22.603 -5.483 8.686 1.00 0.00 N ATOM 1351 CA ILE A 91 -22.862 -6.747 9.365 1.00 0.00 C ATOM 1352 C ILE A 91 -24.090 -6.645 10.264 1.00 0.00 C ATOM 1353 O ILE A 91 -24.968 -7.507 10.232 1.00 0.00 O ATOM 1354 CB ILE A 91 -21.655 -7.190 10.211 1.00 0.00 C ATOM 1355 CG1 ILE A 91 -20.403 -7.296 9.338 1.00 0.00 C ATOM 1356 CG2 ILE A 91 -21.945 -8.518 10.894 1.00 0.00 C ATOM 1357 CD1 ILE A 91 -20.454 -8.436 8.345 1.00 0.00 C ATOM 0 H ILE A 91 -21.760 -5.001 8.999 1.00 0.00 H new ATOM 0 HA ILE A 91 -23.043 -7.491 8.589 1.00 0.00 H new ATOM 0 HB ILE A 91 -21.475 -6.440 10.981 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -20.267 -6.360 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -19.532 -7.423 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -21.082 -8.818 11.488 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -22.814 -8.411 11.544 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -22.148 -9.278 10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -19.534 -8.451 7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -20.559 -9.380 8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -21.306 -8.300 7.678 1.00 0.00 H new ATOM 1369 N SER A 92 -24.144 -5.586 11.065 1.00 0.00 N ATOM 1370 CA SER A 92 -25.263 -5.372 11.975 1.00 0.00 C ATOM 1371 C SER A 92 -25.453 -3.886 12.262 1.00 0.00 C ATOM 1372 O SER A 92 -24.593 -3.066 11.946 1.00 0.00 O ATOM 1373 CB SER A 92 -25.036 -6.131 13.283 1.00 0.00 C ATOM 1374 OG SER A 92 -23.798 -5.773 13.872 1.00 0.00 O ATOM 0 H SER A 92 -23.426 -4.863 11.102 1.00 0.00 H new ATOM 0 HA SER A 92 -26.166 -5.750 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 92 -25.848 -5.916 13.977 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.055 -7.204 13.092 1.00 0.00 H new ATOM 0 HG SER A 92 -23.677 -6.271 14.708 1.00 0.00 H new ATOM 1380 N GLY A 93 -26.589 -3.547 12.865 1.00 0.00 N ATOM 1381 CA GLY A 93 -26.873 -2.160 13.186 1.00 0.00 C ATOM 1382 C GLY A 93 -25.648 -1.416 13.679 1.00 0.00 C ATOM 1383 O GLY A 93 -24.779 -1.980 14.344 1.00 0.00 O ATOM 0 H GLY A 93 -27.317 -4.208 13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -27.267 -1.659 12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -27.651 -2.119 13.949 1.00 0.00 H new ATOM 1387 N PRO A 94 -25.566 -0.119 13.350 1.00 0.00 N ATOM 1388 CA PRO A 94 -24.442 0.731 13.752 1.00 0.00 C ATOM 1389 C PRO A 94 -24.434 1.011 15.252 1.00 0.00 C ATOM 1390 O PRO A 94 -25.437 0.806 15.936 1.00 0.00 O ATOM 1391 CB PRO A 94 -24.677 2.025 12.969 1.00 0.00 C ATOM 1392 CG PRO A 94 -26.144 2.054 12.716 1.00 0.00 C ATOM 1393 CD PRO A 94 -26.566 0.619 12.559 1.00 0.00 C ATOM 0 HA PRO A 94 -23.481 0.260 13.545 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -24.356 2.897 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -24.114 2.031 12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -26.673 2.528 13.543 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -26.374 2.629 11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -27.576 0.454 12.934 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -26.559 0.310 11.514 1.00 0.00 H new ATOM 1401 N SER A 95 -23.297 1.479 15.756 1.00 0.00 N ATOM 1402 CA SER A 95 -23.159 1.783 17.175 1.00 0.00 C ATOM 1403 C SER A 95 -23.244 3.287 17.419 1.00 0.00 C ATOM 1404 O SER A 95 -22.291 4.023 17.164 1.00 0.00 O ATOM 1405 CB SER A 95 -21.830 1.243 17.707 1.00 0.00 C ATOM 1406 OG SER A 95 -21.838 1.171 19.122 1.00 0.00 O ATOM 0 H SER A 95 -22.458 1.656 15.203 1.00 0.00 H new ATOM 0 HA SER A 95 -23.978 1.299 17.706 1.00 0.00 H new ATOM 0 HB2 SER A 95 -21.643 0.253 17.291 1.00 0.00 H new ATOM 0 HB3 SER A 95 -21.014 1.887 17.377 1.00 0.00 H new ATOM 0 HG SER A 95 -20.978 0.821 19.437 1.00 0.00 H new ATOM 1412 N SER A 96 -24.392 3.736 17.915 1.00 0.00 N ATOM 1413 CA SER A 96 -24.605 5.152 18.190 1.00 0.00 C ATOM 1414 C SER A 96 -24.458 5.443 19.681 1.00 0.00 C ATOM 1415 O SER A 96 -23.669 6.296 20.083 1.00 0.00 O ATOM 1416 CB SER A 96 -25.991 5.584 17.709 1.00 0.00 C ATOM 1417 OG SER A 96 -26.124 6.995 17.737 1.00 0.00 O ATOM 0 H SER A 96 -25.190 3.139 18.135 1.00 0.00 H new ATOM 0 HA SER A 96 -23.848 5.720 17.650 1.00 0.00 H new ATOM 0 HB2 SER A 96 -26.157 5.220 16.695 1.00 0.00 H new ATOM 0 HB3 SER A 96 -26.756 5.131 18.340 1.00 0.00 H new ATOM 0 HG SER A 96 -27.018 7.246 17.423 1.00 0.00 H new ATOM 1423 N GLY A 97 -25.226 4.727 20.496 1.00 0.00 N ATOM 1424 CA GLY A 97 -25.168 4.922 21.933 1.00 0.00 C ATOM 1425 C GLY A 97 -25.557 3.677 22.704 1.00 0.00 C ATOM 1426 O GLY A 97 -26.154 3.764 23.776 1.00 0.00 O ATOM 0 H GLY A 97 -25.888 4.015 20.187 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -24.158 5.220 22.215 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -25.831 5.740 22.212 1.00 0.00 H new TER 1430 GLY A 97