USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 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 45 HIS : no HD1:sc= -1.73! C(o=-9.3!,f=-17!) USER MOD Set 1.2: A 49 ASN : amide:sc= -7.55! C(o=-9.3!,f=-20!) USER MOD Set 2.1: A 18 ASN : amide:sc= -4.57! C(o=-4.5!,f=-6!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00133 USER MOD Single : A 3 SER OG : rot -23:sc= 0.494 USER MOD Single : A 5 SER OG : rot 47:sc= 0.0802 USER MOD Single : A 6 SER OG : rot 27:sc= 0.263 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 178:sc= -0.167 (180deg=-0.17) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 26:sc= -1.41 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -130:sc= 0.727 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.861 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.3!) USER MOD Single : A 60 SER OG : rot -67:sc= -0.162! USER MOD Single : A 61 SER OG : rot -20:sc= 0.622 USER MOD Single : A 63 ASN : amide:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.5!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00375 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 142:sc= -4.4! (180deg=-8.8!) USER MOD Single : A 94 HIS : no HD1:sc= -0.835 X(o=-0.84,f=-1) USER MOD Single : A 100 THR OG1 : rot 180:sc=0.000474 USER MOD Single : A 105 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.3!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : A 109 GLN : amide:sc= -2.63 K(o=-2.6,f=-4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.054 -14.667 -29.252 1.00 0.00 N ATOM 2 CA GLY A 1 -33.768 -14.474 -28.604 1.00 0.00 C ATOM 3 C GLY A 1 -33.829 -14.885 -27.131 1.00 0.00 C ATOM 4 O GLY A 1 -34.808 -15.486 -26.691 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.939 -15.298 -30.070 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.722 -15.092 -28.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.423 -13.749 -29.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.006 -15.061 -29.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.471 -13.428 -28.681 1.00 0.00 H new ATOM 8 N SER A 2 -32.771 -14.546 -26.410 1.00 0.00 N ATOM 9 CA SER A 2 -32.692 -14.872 -24.996 1.00 0.00 C ATOM 10 C SER A 2 -31.633 -14.002 -24.317 1.00 0.00 C ATOM 11 O SER A 2 -30.752 -13.458 -24.980 1.00 0.00 O ATOM 12 CB SER A 2 -32.374 -16.354 -24.790 1.00 0.00 C ATOM 13 OG SER A 2 -32.443 -16.730 -23.417 1.00 0.00 O ATOM 0 H SER A 2 -31.960 -14.048 -26.779 1.00 0.00 H new ATOM 0 HA SER A 2 -33.663 -14.670 -24.543 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.074 -16.958 -25.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.377 -16.567 -25.174 1.00 0.00 H new ATOM 0 HG SER A 2 -32.235 -17.684 -23.328 1.00 0.00 H new ATOM 19 N SER A 3 -31.754 -13.898 -23.001 1.00 0.00 N ATOM 20 CA SER A 3 -30.818 -13.104 -22.224 1.00 0.00 C ATOM 21 C SER A 3 -30.825 -13.565 -20.765 1.00 0.00 C ATOM 22 O SER A 3 -31.861 -13.978 -20.246 1.00 0.00 O ATOM 23 CB SER A 3 -31.155 -11.614 -22.312 1.00 0.00 C ATOM 24 OG SER A 3 -31.319 -11.182 -23.660 1.00 0.00 O ATOM 0 H SER A 3 -32.486 -14.351 -22.454 1.00 0.00 H new ATOM 0 HA SER A 3 -29.820 -13.249 -22.639 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.070 -11.416 -21.754 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.362 -11.034 -21.840 1.00 0.00 H new ATOM 0 HG SER A 3 -30.846 -11.796 -24.260 1.00 0.00 H new ATOM 30 N GLY A 4 -29.657 -13.479 -20.145 1.00 0.00 N ATOM 31 CA GLY A 4 -29.516 -13.882 -18.756 1.00 0.00 C ATOM 32 C GLY A 4 -28.458 -13.037 -18.045 1.00 0.00 C ATOM 33 O GLY A 4 -27.585 -12.458 -18.689 1.00 0.00 O ATOM 0 H GLY A 4 -28.800 -13.136 -20.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.473 -13.779 -18.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.240 -14.935 -18.705 1.00 0.00 H new ATOM 37 N SER A 5 -28.572 -12.992 -16.725 1.00 0.00 N ATOM 38 CA SER A 5 -27.636 -12.227 -15.919 1.00 0.00 C ATOM 39 C SER A 5 -27.734 -12.657 -14.454 1.00 0.00 C ATOM 40 O SER A 5 -28.627 -12.218 -13.732 1.00 0.00 O ATOM 41 CB SER A 5 -27.897 -10.725 -16.049 1.00 0.00 C ATOM 42 OG SER A 5 -26.930 -10.084 -16.877 1.00 0.00 O ATOM 0 H SER A 5 -29.298 -13.473 -16.194 1.00 0.00 H new ATOM 0 HA SER A 5 -26.628 -12.427 -16.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.892 -10.565 -16.463 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.886 -10.268 -15.059 1.00 0.00 H new ATOM 0 HG SER A 5 -26.800 -10.609 -17.694 1.00 0.00 H new ATOM 48 N SER A 6 -26.802 -13.512 -14.059 1.00 0.00 N ATOM 49 CA SER A 6 -26.771 -14.007 -12.693 1.00 0.00 C ATOM 50 C SER A 6 -25.329 -14.051 -12.184 1.00 0.00 C ATOM 51 O SER A 6 -24.475 -14.700 -12.785 1.00 0.00 O ATOM 52 CB SER A 6 -27.411 -15.394 -12.595 1.00 0.00 C ATOM 53 OG SER A 6 -26.633 -16.388 -13.258 1.00 0.00 O ATOM 0 H SER A 6 -26.063 -13.875 -14.661 1.00 0.00 H new ATOM 0 HA SER A 6 -27.349 -13.325 -12.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.529 -15.666 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.410 -15.364 -13.031 1.00 0.00 H new ATOM 0 HG SER A 6 -25.693 -16.111 -13.274 1.00 0.00 H new ATOM 59 N GLY A 7 -25.103 -13.351 -11.082 1.00 0.00 N ATOM 60 CA GLY A 7 -23.779 -13.301 -10.486 1.00 0.00 C ATOM 61 C GLY A 7 -23.578 -12.002 -9.704 1.00 0.00 C ATOM 62 O GLY A 7 -23.708 -10.912 -10.259 1.00 0.00 O ATOM 0 H GLY A 7 -25.815 -12.814 -10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.643 -14.154 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.022 -13.381 -11.266 1.00 0.00 H new ATOM 66 N MET A 8 -23.265 -12.160 -8.426 1.00 0.00 N ATOM 67 CA MET A 8 -23.045 -11.013 -7.562 1.00 0.00 C ATOM 68 C MET A 8 -22.319 -11.424 -6.279 1.00 0.00 C ATOM 69 O MET A 8 -22.742 -12.352 -5.592 1.00 0.00 O ATOM 70 CB MET A 8 -24.390 -10.377 -7.205 1.00 0.00 C ATOM 71 CG MET A 8 -24.194 -9.007 -6.553 1.00 0.00 C ATOM 72 SD MET A 8 -25.388 -8.774 -5.248 1.00 0.00 S ATOM 73 CE MET A 8 -25.613 -7.006 -5.345 1.00 0.00 C ATOM 0 H MET A 8 -23.159 -13.065 -7.968 1.00 0.00 H new ATOM 0 HA MET A 8 -22.423 -10.294 -8.096 1.00 0.00 H new ATOM 0 HB2 MET A 8 -24.997 -10.272 -8.105 1.00 0.00 H new ATOM 0 HB3 MET A 8 -24.937 -11.032 -6.526 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.184 -8.928 -6.151 1.00 0.00 H new ATOM 0 HG3 MET A 8 -24.302 -8.221 -7.300 1.00 0.00 H new ATOM 0 HE1 MET A 8 -26.334 -6.689 -4.592 1.00 0.00 H new ATOM 0 HE2 MET A 8 -24.660 -6.508 -5.167 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.982 -6.740 -6.335 1.00 0.00 H new ATOM 83 N SER A 9 -21.237 -10.713 -5.996 1.00 0.00 N ATOM 84 CA SER A 9 -20.448 -10.992 -4.809 1.00 0.00 C ATOM 85 C SER A 9 -19.429 -9.873 -4.583 1.00 0.00 C ATOM 86 O SER A 9 -18.626 -9.573 -5.465 1.00 0.00 O ATOM 87 CB SER A 9 -19.738 -12.342 -4.924 1.00 0.00 C ATOM 88 OG SER A 9 -19.864 -13.115 -3.734 1.00 0.00 O ATOM 0 H SER A 9 -20.889 -9.944 -6.569 1.00 0.00 H new ATOM 0 HA SER A 9 -21.122 -11.039 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.153 -12.899 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.682 -12.179 -5.140 1.00 0.00 H new ATOM 0 HG SER A 9 -19.399 -13.970 -3.848 1.00 0.00 H new ATOM 94 N SER A 10 -19.494 -9.287 -3.397 1.00 0.00 N ATOM 95 CA SER A 10 -18.586 -8.209 -3.044 1.00 0.00 C ATOM 96 C SER A 10 -17.838 -8.554 -1.755 1.00 0.00 C ATOM 97 O SER A 10 -18.172 -8.048 -0.685 1.00 0.00 O ATOM 98 CB SER A 10 -19.339 -6.886 -2.883 1.00 0.00 C ATOM 99 OG SER A 10 -19.176 -6.038 -4.016 1.00 0.00 O ATOM 0 H SER A 10 -20.162 -9.538 -2.668 1.00 0.00 H new ATOM 0 HA SER A 10 -17.865 -8.091 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.399 -7.088 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.982 -6.372 -1.991 1.00 0.00 H new ATOM 0 HG SER A 10 -19.673 -5.205 -3.875 1.00 0.00 H new ATOM 105 N HIS A 11 -16.841 -9.414 -1.900 1.00 0.00 N ATOM 106 CA HIS A 11 -16.043 -9.833 -0.760 1.00 0.00 C ATOM 107 C HIS A 11 -14.657 -10.271 -1.237 1.00 0.00 C ATOM 108 O HIS A 11 -14.536 -10.989 -2.229 1.00 0.00 O ATOM 109 CB HIS A 11 -16.765 -10.920 0.039 1.00 0.00 C ATOM 110 CG HIS A 11 -16.618 -10.782 1.535 1.00 0.00 C ATOM 111 ND1 HIS A 11 -15.591 -11.378 2.246 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.378 -10.110 2.448 1.00 0.00 C ATOM 113 CE1 HIS A 11 -15.736 -11.073 3.527 1.00 0.00 C ATOM 114 NE2 HIS A 11 -16.844 -10.288 3.650 1.00 0.00 N ATOM 0 H HIS A 11 -16.567 -9.832 -2.789 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.907 -8.993 -0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.825 -10.900 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -16.383 -11.894 -0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -18.264 -9.532 2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.090 -11.390 4.332 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -17.204 -9.901 4.523 1.00 0.00 H new ATOM 122 N VAL A 12 -13.646 -9.820 -0.509 1.00 0.00 N ATOM 123 CA VAL A 12 -12.273 -10.156 -0.846 1.00 0.00 C ATOM 124 C VAL A 12 -11.988 -11.599 -0.424 1.00 0.00 C ATOM 125 O VAL A 12 -12.380 -12.021 0.662 1.00 0.00 O ATOM 126 CB VAL A 12 -11.316 -9.147 -0.209 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.860 -9.494 -0.528 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.649 -7.721 -0.651 1.00 0.00 C ATOM 0 H VAL A 12 -13.750 -9.225 0.313 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.118 -10.095 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.444 -9.201 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.201 -8.761 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.629 -10.486 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.711 -9.482 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.954 -7.024 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.564 -7.647 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.667 -7.475 -0.349 1.00 0.00 H new ATOM 138 N PRO A 13 -11.289 -12.335 -1.330 1.00 0.00 N ATOM 139 CA PRO A 13 -10.946 -13.722 -1.063 1.00 0.00 C ATOM 140 C PRO A 13 -9.804 -13.819 -0.050 1.00 0.00 C ATOM 141 O PRO A 13 -9.353 -12.806 0.482 1.00 0.00 O ATOM 142 CB PRO A 13 -10.589 -14.307 -2.419 1.00 0.00 C ATOM 143 CG PRO A 13 -10.295 -13.119 -3.321 1.00 0.00 C ATOM 144 CD PRO A 13 -10.808 -11.868 -2.627 1.00 0.00 C ATOM 0 HA PRO A 13 -11.766 -14.278 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.723 -14.965 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.410 -14.904 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.224 -13.039 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.781 -13.245 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.018 -11.126 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.607 -11.397 -3.200 1.00 0.00 H new ATOM 152 N ALA A 14 -9.368 -15.048 0.186 1.00 0.00 N ATOM 153 CA ALA A 14 -8.287 -15.291 1.126 1.00 0.00 C ATOM 154 C ALA A 14 -6.999 -15.578 0.352 1.00 0.00 C ATOM 155 O ALA A 14 -5.974 -15.908 0.946 1.00 0.00 O ATOM 156 CB ALA A 14 -8.672 -16.438 2.062 1.00 0.00 C ATOM 0 H ALA A 14 -9.744 -15.886 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.111 -14.411 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.861 -16.620 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.576 -16.173 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.854 -17.340 1.477 1.00 0.00 H new ATOM 162 N ASP A 15 -7.094 -15.442 -0.963 1.00 0.00 N ATOM 163 CA ASP A 15 -5.949 -15.683 -1.825 1.00 0.00 C ATOM 164 C ASP A 15 -5.403 -14.345 -2.326 1.00 0.00 C ATOM 165 O ASP A 15 -4.241 -14.252 -2.719 1.00 0.00 O ATOM 166 CB ASP A 15 -6.344 -16.519 -3.044 1.00 0.00 C ATOM 167 CG ASP A 15 -5.267 -17.486 -3.540 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.400 -17.022 -4.312 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.335 -18.667 -3.137 1.00 0.00 O ATOM 0 H ASP A 15 -7.946 -15.168 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.198 -16.221 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.240 -17.090 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.609 -15.845 -3.858 1.00 0.00 H new ATOM 174 N MET A 16 -6.268 -13.341 -2.297 1.00 0.00 N ATOM 175 CA MET A 16 -5.887 -12.012 -2.744 1.00 0.00 C ATOM 176 C MET A 16 -5.766 -11.049 -1.561 1.00 0.00 C ATOM 177 O MET A 16 -6.291 -11.318 -0.481 1.00 0.00 O ATOM 178 CB MET A 16 -6.933 -11.484 -3.727 1.00 0.00 C ATOM 179 CG MET A 16 -6.968 -12.334 -4.999 1.00 0.00 C ATOM 180 SD MET A 16 -7.340 -11.306 -6.410 1.00 0.00 S ATOM 181 CE MET A 16 -5.727 -10.608 -6.719 1.00 0.00 C ATOM 0 H MET A 16 -7.231 -13.422 -1.971 1.00 0.00 H new ATOM 0 HA MET A 16 -4.916 -12.079 -3.235 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.916 -11.488 -3.255 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.707 -10.449 -3.983 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.007 -12.829 -5.142 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.719 -13.118 -4.902 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.772 -9.963 -7.597 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.412 -10.023 -5.855 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.011 -11.411 -6.894 1.00 0.00 H new ATOM 191 N ILE A 17 -5.073 -9.947 -1.804 1.00 0.00 N ATOM 192 CA ILE A 17 -4.877 -8.943 -0.772 1.00 0.00 C ATOM 193 C ILE A 17 -5.502 -7.622 -1.226 1.00 0.00 C ATOM 194 O ILE A 17 -5.084 -7.047 -2.230 1.00 0.00 O ATOM 195 CB ILE A 17 -3.395 -8.829 -0.410 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.822 -10.190 -0.008 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.175 -7.772 0.675 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.381 -10.344 -0.498 1.00 0.00 C ATOM 0 H ILE A 17 -4.640 -9.727 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.384 -9.237 0.147 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.852 -8.500 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.855 -10.296 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.439 -10.986 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.113 -7.711 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.522 -6.803 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.733 -8.048 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.997 -11.320 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.355 -10.261 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.762 -9.561 -0.060 1.00 0.00 H new ATOM 210 N ASN A 18 -6.493 -7.181 -0.465 1.00 0.00 N ATOM 211 CA ASN A 18 -7.180 -5.939 -0.777 1.00 0.00 C ATOM 212 C ASN A 18 -6.306 -4.757 -0.352 1.00 0.00 C ATOM 213 O ASN A 18 -5.870 -4.685 0.796 1.00 0.00 O ATOM 214 CB ASN A 18 -8.508 -5.840 -0.024 1.00 0.00 C ATOM 215 CG ASN A 18 -9.594 -5.222 -0.907 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.685 -5.480 -2.096 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.409 -4.393 -0.261 1.00 0.00 N ATOM 0 H ASN A 18 -6.837 -7.661 0.367 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.372 -5.920 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.820 -6.832 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.377 -5.236 0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.166 -3.929 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.277 -4.221 0.736 1.00 0.00 H new ATOM 224 N LEU A 19 -6.076 -3.861 -1.300 1.00 0.00 N ATOM 225 CA LEU A 19 -5.262 -2.686 -1.038 1.00 0.00 C ATOM 226 C LEU A 19 -6.101 -1.428 -1.270 1.00 0.00 C ATOM 227 O LEU A 19 -6.899 -1.373 -2.204 1.00 0.00 O ATOM 228 CB LEU A 19 -3.976 -2.729 -1.865 1.00 0.00 C ATOM 229 CG LEU A 19 -2.802 -3.487 -1.241 1.00 0.00 C ATOM 230 CD1 LEU A 19 -1.957 -2.561 -0.364 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.289 -4.717 -0.473 1.00 0.00 C ATOM 0 H LEU A 19 -6.439 -3.925 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.942 -2.669 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.203 -3.182 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.659 -1.705 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.159 -3.844 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.129 -3.124 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.564 -1.745 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.575 -2.154 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.435 -5.237 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.965 -4.405 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.814 -5.387 -1.154 1.00 0.00 H new ATOM 243 N ARG A 20 -5.890 -0.447 -0.404 1.00 0.00 N ATOM 244 CA ARG A 20 -6.617 0.807 -0.503 1.00 0.00 C ATOM 245 C ARG A 20 -5.701 1.910 -1.038 1.00 0.00 C ATOM 246 O ARG A 20 -4.813 2.382 -0.329 1.00 0.00 O ATOM 247 CB ARG A 20 -7.174 1.230 0.857 1.00 0.00 C ATOM 248 CG ARG A 20 -7.969 2.532 0.744 1.00 0.00 C ATOM 249 CD ARG A 20 -8.261 3.120 2.126 1.00 0.00 C ATOM 250 NE ARG A 20 -8.975 2.125 2.958 1.00 0.00 N ATOM 251 CZ ARG A 20 -9.711 2.436 4.034 1.00 0.00 C ATOM 252 NH1 ARG A 20 -9.833 3.714 4.416 1.00 0.00 N ATOM 253 NH2 ARG A 20 -10.324 1.468 4.728 1.00 0.00 N ATOM 0 H ARG A 20 -5.226 -0.496 0.369 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.449 0.655 -1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.815 0.442 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.355 1.360 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.409 3.253 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.906 2.345 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.329 3.411 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.864 4.023 2.026 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.902 1.142 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.366 4.451 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.393 3.950 5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.230 0.495 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.884 1.704 5.547 1.00 0.00 H new ATOM 267 N LEU A 21 -5.950 2.291 -2.282 1.00 0.00 N ATOM 268 CA LEU A 21 -5.159 3.329 -2.919 1.00 0.00 C ATOM 269 C LEU A 21 -5.788 4.694 -2.630 1.00 0.00 C ATOM 270 O LEU A 21 -6.929 4.948 -3.011 1.00 0.00 O ATOM 271 CB LEU A 21 -4.989 3.035 -4.411 1.00 0.00 C ATOM 272 CG LEU A 21 -4.037 1.890 -4.765 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.596 2.391 -4.879 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.166 0.741 -3.764 1.00 0.00 C ATOM 0 H LEU A 21 -6.689 1.899 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.151 3.347 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.969 2.809 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.634 3.941 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.321 1.499 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.940 1.558 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.535 3.150 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.285 2.823 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.479 -0.059 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.923 1.101 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.188 0.362 -3.775 1.00 0.00 H new ATOM 286 N ILE A 22 -5.016 5.535 -1.958 1.00 0.00 N ATOM 287 CA ILE A 22 -5.483 6.867 -1.613 1.00 0.00 C ATOM 288 C ILE A 22 -4.646 7.907 -2.360 1.00 0.00 C ATOM 289 O ILE A 22 -3.501 7.641 -2.725 1.00 0.00 O ATOM 290 CB ILE A 22 -5.488 7.057 -0.095 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.186 5.887 0.602 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.105 8.403 0.288 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.990 5.955 2.118 1.00 0.00 C ATOM 0 H ILE A 22 -4.070 5.320 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.517 7.002 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.454 7.067 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.251 5.903 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.790 4.945 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.096 8.512 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.527 9.210 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.133 8.448 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.496 5.112 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.926 5.914 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.408 6.887 2.498 1.00 0.00 H new ATOM 305 N LEU A 23 -5.248 9.068 -2.566 1.00 0.00 N ATOM 306 CA LEU A 23 -4.572 10.149 -3.263 1.00 0.00 C ATOM 307 C LEU A 23 -4.492 11.371 -2.346 1.00 0.00 C ATOM 308 O LEU A 23 -4.635 11.249 -1.130 1.00 0.00 O ATOM 309 CB LEU A 23 -5.253 10.430 -4.604 1.00 0.00 C ATOM 310 CG LEU A 23 -4.326 10.549 -5.815 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.986 9.170 -6.383 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.925 11.474 -6.876 1.00 0.00 C ATOM 0 H LEU A 23 -6.197 9.284 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.548 9.864 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.971 9.633 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.821 11.356 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.391 11.001 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.326 9.283 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.487 8.575 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.903 8.668 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.246 11.541 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.883 11.074 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.073 12.467 -6.451 1.00 0.00 H new ATOM 324 N VAL A 24 -4.265 12.521 -2.963 1.00 0.00 N ATOM 325 CA VAL A 24 -4.164 13.764 -2.217 1.00 0.00 C ATOM 326 C VAL A 24 -5.540 14.129 -1.656 1.00 0.00 C ATOM 327 O VAL A 24 -6.553 13.979 -2.338 1.00 0.00 O ATOM 328 CB VAL A 24 -3.571 14.860 -3.104 1.00 0.00 C ATOM 329 CG1 VAL A 24 -2.166 14.481 -3.577 1.00 0.00 C ATOM 330 CG2 VAL A 24 -4.487 15.160 -4.292 1.00 0.00 C ATOM 0 H VAL A 24 -4.148 12.618 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.487 13.648 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.490 15.768 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.767 15.277 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.517 14.341 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.212 13.555 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.042 15.943 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.614 14.258 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.458 15.494 -3.927 1.00 0.00 H new ATOM 340 N SER A 25 -5.532 14.602 -0.418 1.00 0.00 N ATOM 341 CA SER A 25 -6.766 14.990 0.243 1.00 0.00 C ATOM 342 C SER A 25 -7.549 13.744 0.662 1.00 0.00 C ATOM 343 O SER A 25 -7.765 13.513 1.851 1.00 0.00 O ATOM 344 CB SER A 25 -7.623 15.874 -0.665 1.00 0.00 C ATOM 345 OG SER A 25 -8.556 16.656 0.076 1.00 0.00 O ATOM 0 H SER A 25 -4.690 14.725 0.144 1.00 0.00 H new ATOM 0 HA SER A 25 -6.511 15.568 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.976 16.534 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.160 15.248 -1.378 1.00 0.00 H new ATOM 0 HG SER A 25 -9.082 17.207 -0.540 1.00 0.00 H new ATOM 351 N GLY A 26 -7.953 12.974 -0.337 1.00 0.00 N ATOM 352 CA GLY A 26 -8.707 11.757 -0.087 1.00 0.00 C ATOM 353 C GLY A 26 -8.871 10.940 -1.370 1.00 0.00 C ATOM 354 O GLY A 26 -7.893 10.658 -2.060 1.00 0.00 O ATOM 0 H GLY A 26 -7.773 13.169 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.197 11.158 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.688 12.009 0.316 1.00 0.00 H new ATOM 358 N LYS A 27 -10.115 10.582 -1.651 1.00 0.00 N ATOM 359 CA LYS A 27 -10.420 9.802 -2.839 1.00 0.00 C ATOM 360 C LYS A 27 -9.600 8.511 -2.820 1.00 0.00 C ATOM 361 O LYS A 27 -8.384 8.540 -3.000 1.00 0.00 O ATOM 362 CB LYS A 27 -10.212 10.644 -4.100 1.00 0.00 C ATOM 363 CG LYS A 27 -11.520 11.305 -4.540 1.00 0.00 C ATOM 364 CD LYS A 27 -11.303 12.184 -5.773 1.00 0.00 C ATOM 365 CE LYS A 27 -12.636 12.545 -6.431 1.00 0.00 C ATOM 366 NZ LYS A 27 -12.426 12.957 -7.836 1.00 0.00 N ATOM 0 H LYS A 27 -10.924 10.818 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.471 9.513 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.459 11.409 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.831 10.014 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.262 10.538 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.919 11.908 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.776 13.094 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.669 11.661 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.310 11.689 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.115 13.352 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.341 13.198 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.800 13.787 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.989 12.176 -8.365 1.00 0.00 H new ATOM 380 N THR A 28 -10.300 7.407 -2.600 1.00 0.00 N ATOM 381 CA THR A 28 -9.652 6.107 -2.555 1.00 0.00 C ATOM 382 C THR A 28 -10.555 5.039 -3.175 1.00 0.00 C ATOM 383 O THR A 28 -11.751 5.263 -3.360 1.00 0.00 O ATOM 384 CB THR A 28 -9.277 5.816 -1.101 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.452 4.657 -1.180 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.476 5.363 -0.266 1.00 0.00 C ATOM 0 H THR A 28 -11.309 7.386 -2.451 1.00 0.00 H new ATOM 0 HA THR A 28 -8.738 6.100 -3.149 1.00 0.00 H new ATOM 0 HB THR A 28 -8.840 6.709 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.020 4.622 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.154 5.170 0.757 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.236 6.145 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.893 4.451 -0.693 1.00 0.00 H new ATOM 394 N LYS A 29 -9.949 3.901 -3.480 1.00 0.00 N ATOM 395 CA LYS A 29 -10.684 2.798 -4.075 1.00 0.00 C ATOM 396 C LYS A 29 -10.025 1.477 -3.674 1.00 0.00 C ATOM 397 O LYS A 29 -8.804 1.399 -3.556 1.00 0.00 O ATOM 398 CB LYS A 29 -10.806 2.990 -5.588 1.00 0.00 C ATOM 399 CG LYS A 29 -12.054 2.292 -6.131 1.00 0.00 C ATOM 400 CD LYS A 29 -13.235 3.262 -6.210 1.00 0.00 C ATOM 401 CE LYS A 29 -14.555 2.543 -5.921 1.00 0.00 C ATOM 402 NZ LYS A 29 -15.034 1.835 -7.129 1.00 0.00 N ATOM 0 H LYS A 29 -8.957 3.719 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.706 2.773 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.850 4.054 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.919 2.592 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.846 1.886 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.313 1.450 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.094 4.072 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.273 3.715 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.418 1.832 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.304 3.263 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.930 1.352 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.184 2.520 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.325 1.134 -7.424 1.00 0.00 H new ATOM 416 N GLU A 30 -10.864 0.470 -3.476 1.00 0.00 N ATOM 417 CA GLU A 30 -10.379 -0.844 -3.091 1.00 0.00 C ATOM 418 C GLU A 30 -9.874 -1.604 -4.319 1.00 0.00 C ATOM 419 O GLU A 30 -10.527 -1.609 -5.362 1.00 0.00 O ATOM 420 CB GLU A 30 -11.465 -1.638 -2.362 1.00 0.00 C ATOM 421 CG GLU A 30 -11.773 -1.019 -0.997 1.00 0.00 C ATOM 422 CD GLU A 30 -12.736 -1.902 -0.201 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.943 -1.859 -0.523 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.244 -2.599 0.713 1.00 0.00 O ATOM 0 H GLU A 30 -11.877 0.538 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.546 -0.714 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.371 -1.662 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.141 -2.671 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.848 -0.886 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.209 -0.029 -1.132 1.00 0.00 H new ATOM 431 N PHE A 31 -8.718 -2.229 -4.155 1.00 0.00 N ATOM 432 CA PHE A 31 -8.119 -2.991 -5.237 1.00 0.00 C ATOM 433 C PHE A 31 -7.733 -4.397 -4.770 1.00 0.00 C ATOM 434 O PHE A 31 -7.956 -4.754 -3.615 1.00 0.00 O ATOM 435 CB PHE A 31 -6.854 -2.244 -5.664 1.00 0.00 C ATOM 436 CG PHE A 31 -7.120 -1.024 -6.548 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.410 -1.190 -7.866 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.068 0.226 -6.015 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.658 -0.058 -8.687 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.315 1.359 -6.836 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.605 1.193 -8.154 1.00 0.00 C ATOM 0 H PHE A 31 -8.180 -2.223 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.829 -3.092 -6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.315 -1.923 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.201 -2.933 -6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.452 -2.183 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.839 0.357 -4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.889 -0.190 -9.734 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.272 2.352 -6.413 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.793 2.054 -8.778 1.00 0.00 H new ATOM 451 N LEU A 32 -7.162 -5.156 -5.693 1.00 0.00 N ATOM 452 CA LEU A 32 -6.743 -6.514 -5.391 1.00 0.00 C ATOM 453 C LEU A 32 -5.348 -6.755 -5.972 1.00 0.00 C ATOM 454 O LEU A 32 -5.024 -6.253 -7.047 1.00 0.00 O ATOM 455 CB LEU A 32 -7.792 -7.518 -5.874 1.00 0.00 C ATOM 456 CG LEU A 32 -9.024 -7.683 -4.982 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.310 -7.641 -5.810 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.925 -8.956 -4.140 1.00 0.00 C ATOM 0 H LEU A 32 -6.980 -4.856 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.669 -6.659 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.125 -7.216 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.313 -8.491 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.060 -6.842 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.171 -7.761 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.379 -6.684 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.298 -8.449 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.813 -9.049 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.851 -9.822 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.040 -8.905 -3.506 1.00 0.00 H new ATOM 470 N PHE A 33 -4.559 -7.523 -5.234 1.00 0.00 N ATOM 471 CA PHE A 33 -3.207 -7.836 -5.662 1.00 0.00 C ATOM 472 C PHE A 33 -2.760 -9.195 -5.119 1.00 0.00 C ATOM 473 O PHE A 33 -3.332 -9.700 -4.154 1.00 0.00 O ATOM 474 CB PHE A 33 -2.294 -6.748 -5.093 1.00 0.00 C ATOM 475 CG PHE A 33 -2.612 -5.340 -5.601 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.517 -5.058 -6.928 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.989 -4.370 -4.725 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.813 -3.752 -7.400 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.285 -3.064 -5.197 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.190 -2.782 -6.524 1.00 0.00 C ATOM 0 H PHE A 33 -4.831 -7.937 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.162 -7.877 -6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.370 -6.757 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.260 -6.988 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.216 -5.828 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.063 -4.593 -3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.739 -3.529 -8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.586 -2.294 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.414 -1.788 -6.882 1.00 0.00 H new ATOM 490 N SER A 34 -1.743 -9.748 -5.763 1.00 0.00 N ATOM 491 CA SER A 34 -1.214 -11.039 -5.357 1.00 0.00 C ATOM 492 C SER A 34 0.054 -10.845 -4.522 1.00 0.00 C ATOM 493 O SER A 34 0.680 -9.788 -4.573 1.00 0.00 O ATOM 494 CB SER A 34 -0.919 -11.920 -6.572 1.00 0.00 C ATOM 495 OG SER A 34 0.422 -12.403 -6.569 1.00 0.00 O ATOM 0 H SER A 34 -1.271 -9.326 -6.563 1.00 0.00 H new ATOM 0 HA SER A 34 -1.968 -11.543 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.608 -12.764 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.097 -11.351 -7.484 1.00 0.00 H new ATOM 0 HG SER A 34 0.833 -12.232 -7.442 1.00 0.00 H new ATOM 501 N PRO A 35 0.402 -11.910 -3.751 1.00 0.00 N ATOM 502 CA PRO A 35 1.584 -11.868 -2.906 1.00 0.00 C ATOM 503 C PRO A 35 2.859 -12.008 -3.739 1.00 0.00 C ATOM 504 O PRO A 35 3.964 -11.873 -3.216 1.00 0.00 O ATOM 505 CB PRO A 35 1.396 -13.001 -1.911 1.00 0.00 C ATOM 506 CG PRO A 35 0.353 -13.923 -2.521 1.00 0.00 C ATOM 507 CD PRO A 35 -0.315 -13.179 -3.665 1.00 0.00 C ATOM 0 HA PRO A 35 1.698 -10.916 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.333 -13.530 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.064 -12.621 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.819 -14.840 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.384 -14.213 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.242 -13.739 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.376 -13.022 -3.469 1.00 0.00 H new ATOM 515 N ASN A 36 2.664 -12.278 -5.022 1.00 0.00 N ATOM 516 CA ASN A 36 3.785 -12.438 -5.932 1.00 0.00 C ATOM 517 C ASN A 36 3.994 -11.138 -6.710 1.00 0.00 C ATOM 518 O ASN A 36 4.983 -10.992 -7.428 1.00 0.00 O ATOM 519 CB ASN A 36 3.519 -13.556 -6.942 1.00 0.00 C ATOM 520 CG ASN A 36 4.110 -14.883 -6.461 1.00 0.00 C ATOM 521 OD1 ASN A 36 5.306 -15.118 -6.523 1.00 0.00 O ATOM 522 ND2 ASN A 36 3.209 -15.733 -5.978 1.00 0.00 N ATOM 0 H ASN A 36 1.746 -12.390 -5.452 1.00 0.00 H new ATOM 0 HA ASN A 36 4.666 -12.688 -5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.445 -13.666 -7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.951 -13.290 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.504 -16.645 -5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.223 -15.473 -5.955 1.00 0.00 H new ATOM 529 N ASP A 37 3.047 -10.226 -6.543 1.00 0.00 N ATOM 530 CA ASP A 37 3.115 -8.943 -7.221 1.00 0.00 C ATOM 531 C ASP A 37 3.959 -7.976 -6.388 1.00 0.00 C ATOM 532 O ASP A 37 3.933 -8.022 -5.159 1.00 0.00 O ATOM 533 CB ASP A 37 1.722 -8.333 -7.387 1.00 0.00 C ATOM 534 CG ASP A 37 0.831 -9.027 -8.418 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.398 -9.761 -9.257 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.397 -8.808 -8.346 1.00 0.00 O ATOM 0 H ASP A 37 2.228 -10.351 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 37 3.557 -9.104 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.217 -8.351 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.832 -7.286 -7.670 1.00 0.00 H new ATOM 541 N SER A 38 4.688 -7.121 -7.091 1.00 0.00 N ATOM 542 CA SER A 38 5.538 -6.144 -6.432 1.00 0.00 C ATOM 543 C SER A 38 4.917 -4.750 -6.543 1.00 0.00 C ATOM 544 O SER A 38 4.037 -4.523 -7.372 1.00 0.00 O ATOM 545 CB SER A 38 6.946 -6.146 -7.031 1.00 0.00 C ATOM 546 OG SER A 38 7.348 -7.449 -7.445 1.00 0.00 O ATOM 0 H SER A 38 4.707 -7.085 -8.110 1.00 0.00 H new ATOM 0 HA SER A 38 5.619 -6.416 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.978 -5.469 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.654 -5.765 -6.295 1.00 0.00 H new ATOM 0 HG SER A 38 8.251 -7.408 -7.823 1.00 0.00 H new ATOM 552 N ALA A 39 5.399 -3.853 -5.696 1.00 0.00 N ATOM 553 CA ALA A 39 4.902 -2.488 -5.689 1.00 0.00 C ATOM 554 C ALA A 39 4.727 -2.005 -7.130 1.00 0.00 C ATOM 555 O ALA A 39 3.807 -1.245 -7.427 1.00 0.00 O ATOM 556 CB ALA A 39 5.858 -1.601 -4.888 1.00 0.00 C ATOM 0 H ALA A 39 6.129 -4.045 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 39 3.927 -2.437 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.485 -0.577 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.924 -1.969 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.847 -1.625 -5.346 1.00 0.00 H new ATOM 562 N SER A 40 5.625 -2.467 -7.988 1.00 0.00 N ATOM 563 CA SER A 40 5.582 -2.092 -9.391 1.00 0.00 C ATOM 564 C SER A 40 4.217 -2.445 -9.985 1.00 0.00 C ATOM 565 O SER A 40 3.500 -1.568 -10.464 1.00 0.00 O ATOM 566 CB SER A 40 6.698 -2.780 -10.179 1.00 0.00 C ATOM 567 OG SER A 40 6.558 -2.585 -11.584 1.00 0.00 O ATOM 0 H SER A 40 6.387 -3.098 -7.738 1.00 0.00 H new ATOM 0 HA SER A 40 5.735 -1.015 -9.462 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.663 -2.393 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.692 -3.848 -9.959 1.00 0.00 H new ATOM 0 HG SER A 40 7.290 -3.038 -12.052 1.00 0.00 H new ATOM 573 N ASP A 41 3.899 -3.730 -9.934 1.00 0.00 N ATOM 574 CA ASP A 41 2.633 -4.209 -10.461 1.00 0.00 C ATOM 575 C ASP A 41 1.498 -3.337 -9.921 1.00 0.00 C ATOM 576 O ASP A 41 0.612 -2.930 -10.671 1.00 0.00 O ATOM 577 CB ASP A 41 2.367 -5.652 -10.029 1.00 0.00 C ATOM 578 CG ASP A 41 2.619 -6.707 -11.108 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.469 -6.433 -11.982 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.956 -7.764 -11.034 1.00 0.00 O ATOM 0 H ASP A 41 4.497 -4.454 -9.536 1.00 0.00 H new ATOM 0 HA ASP A 41 2.681 -4.161 -11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.994 -5.879 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.331 -5.732 -9.699 1.00 0.00 H new ATOM 585 N ILE A 42 1.561 -3.077 -8.623 1.00 0.00 N ATOM 586 CA ILE A 42 0.549 -2.261 -7.974 1.00 0.00 C ATOM 587 C ILE A 42 0.581 -0.850 -8.566 1.00 0.00 C ATOM 588 O ILE A 42 -0.333 -0.456 -9.290 1.00 0.00 O ATOM 589 CB ILE A 42 0.728 -2.294 -6.455 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.570 -3.717 -5.915 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.223 -1.311 -5.769 1.00 0.00 C ATOM 592 CD1 ILE A 42 0.978 -3.793 -4.442 1.00 0.00 C ATOM 0 H ILE A 42 2.297 -3.417 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.445 -2.665 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 42 1.744 -1.973 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.465 -4.039 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.182 -4.402 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.075 -1.355 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.019 -0.300 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.253 -1.577 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.856 -4.815 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.021 -3.493 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.348 -3.125 -3.855 1.00 0.00 H new ATOM 604 N ALA A 43 1.641 -0.128 -8.236 1.00 0.00 N ATOM 605 CA ALA A 43 1.804 1.230 -8.726 1.00 0.00 C ATOM 606 C ALA A 43 1.412 1.285 -10.204 1.00 0.00 C ATOM 607 O ALA A 43 0.716 2.204 -10.632 1.00 0.00 O ATOM 608 CB ALA A 43 3.243 1.691 -8.487 1.00 0.00 C ATOM 0 H ALA A 43 2.396 -0.458 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 43 1.149 1.914 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.365 2.710 -8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.462 1.662 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.929 1.030 -9.016 1.00 0.00 H new ATOM 614 N LYS A 44 1.877 0.288 -10.943 1.00 0.00 N ATOM 615 CA LYS A 44 1.584 0.211 -12.364 1.00 0.00 C ATOM 616 C LYS A 44 0.072 0.092 -12.564 1.00 0.00 C ATOM 617 O LYS A 44 -0.533 0.911 -13.254 1.00 0.00 O ATOM 618 CB LYS A 44 2.381 -0.922 -13.015 1.00 0.00 C ATOM 619 CG LYS A 44 3.817 -0.484 -13.308 1.00 0.00 C ATOM 620 CD LYS A 44 3.923 0.160 -14.692 1.00 0.00 C ATOM 621 CE LYS A 44 4.758 1.441 -14.639 1.00 0.00 C ATOM 622 NZ LYS A 44 4.075 2.535 -15.364 1.00 0.00 N ATOM 0 H LYS A 44 2.454 -0.473 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 44 1.901 1.124 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.389 -1.791 -12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.894 -1.228 -13.941 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.147 0.224 -12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.482 -1.346 -13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.375 -0.544 -15.391 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.926 0.387 -15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.923 1.732 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.739 1.261 -15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.655 3.397 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.940 2.261 -16.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.149 2.717 -14.926 1.00 0.00 H new ATOM 636 N HIS A 45 -0.495 -0.934 -11.946 1.00 0.00 N ATOM 637 CA HIS A 45 -1.925 -1.170 -12.047 1.00 0.00 C ATOM 638 C HIS A 45 -2.678 0.149 -11.863 1.00 0.00 C ATOM 639 O HIS A 45 -3.503 0.519 -12.697 1.00 0.00 O ATOM 640 CB HIS A 45 -2.369 -2.249 -11.057 1.00 0.00 C ATOM 641 CG HIS A 45 -3.865 -2.336 -10.873 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.660 -3.206 -11.599 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.702 -1.655 -10.038 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.917 -3.046 -11.212 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.941 -2.084 -10.245 1.00 0.00 N ATOM 0 H HIS A 45 0.010 -1.611 -11.374 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.165 -1.549 -13.040 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.999 -3.216 -11.399 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.905 -2.053 -10.090 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.407 -0.896 -9.329 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.772 -3.583 -11.595 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.774 -1.749 -9.761 1.00 0.00 H new ATOM 653 N VAL A 46 -2.366 0.823 -10.766 1.00 0.00 N ATOM 654 CA VAL A 46 -3.003 2.093 -10.462 1.00 0.00 C ATOM 655 C VAL A 46 -2.910 3.010 -11.683 1.00 0.00 C ATOM 656 O VAL A 46 -3.923 3.525 -12.156 1.00 0.00 O ATOM 657 CB VAL A 46 -2.377 2.705 -9.206 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.013 4.058 -8.881 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.486 1.748 -8.018 1.00 0.00 C ATOM 0 H VAL A 46 -1.681 0.514 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.061 1.947 -10.244 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.318 2.872 -9.405 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.551 4.471 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.861 4.742 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.081 3.926 -8.710 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.034 2.207 -7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.536 1.536 -7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.966 0.819 -8.250 1.00 0.00 H new ATOM 669 N TYR A 47 -1.687 3.187 -12.159 1.00 0.00 N ATOM 670 CA TYR A 47 -1.449 4.033 -13.316 1.00 0.00 C ATOM 671 C TYR A 47 -2.307 3.593 -14.503 1.00 0.00 C ATOM 672 O TYR A 47 -2.993 4.410 -15.116 1.00 0.00 O ATOM 673 CB TYR A 47 0.027 3.852 -13.675 1.00 0.00 C ATOM 674 CG TYR A 47 0.665 5.081 -14.326 1.00 0.00 C ATOM 675 CD1 TYR A 47 0.447 5.345 -15.663 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.459 5.926 -13.576 1.00 0.00 C ATOM 677 CE1 TYR A 47 1.047 6.502 -16.275 1.00 0.00 C ATOM 678 CE2 TYR A 47 2.059 7.082 -14.189 1.00 0.00 C ATOM 679 CZ TYR A 47 1.823 7.313 -15.508 1.00 0.00 C ATOM 680 OH TYR A 47 2.390 8.406 -16.087 1.00 0.00 O ATOM 0 H TYR A 47 -0.850 2.759 -11.764 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.701 5.069 -13.091 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.582 3.603 -12.771 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.124 3.003 -14.352 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.173 4.684 -16.250 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.630 5.720 -12.530 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.884 6.721 -17.320 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.683 7.751 -13.614 1.00 0.00 H new ATOM 0 HH TYR A 47 2.916 8.894 -15.420 1.00 0.00 H new ATOM 690 N ASP A 48 -2.242 2.301 -14.793 1.00 0.00 N ATOM 691 CA ASP A 48 -3.005 1.742 -15.896 1.00 0.00 C ATOM 692 C ASP A 48 -4.479 2.121 -15.735 1.00 0.00 C ATOM 693 O ASP A 48 -5.139 2.487 -16.706 1.00 0.00 O ATOM 694 CB ASP A 48 -2.910 0.215 -15.913 1.00 0.00 C ATOM 695 CG ASP A 48 -1.934 -0.360 -16.942 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.932 0.333 -17.223 1.00 0.00 O ATOM 697 OD2 ASP A 48 -2.212 -1.478 -17.425 1.00 0.00 O ATOM 0 H ASP A 48 -1.673 1.626 -14.283 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.596 2.140 -16.825 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.613 -0.127 -14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.902 -0.194 -16.107 1.00 0.00 H new ATOM 702 N ASN A 49 -4.952 2.021 -14.501 1.00 0.00 N ATOM 703 CA ASN A 49 -6.335 2.349 -14.201 1.00 0.00 C ATOM 704 C ASN A 49 -6.542 3.857 -14.354 1.00 0.00 C ATOM 705 O ASN A 49 -5.576 4.616 -14.415 1.00 0.00 O ATOM 706 CB ASN A 49 -6.692 1.967 -12.763 1.00 0.00 C ATOM 707 CG ASN A 49 -6.082 0.614 -12.387 1.00 0.00 C ATOM 708 OD1 ASN A 49 -5.630 0.395 -11.276 1.00 0.00 O ATOM 709 ND2 ASN A 49 -6.096 -0.278 -13.374 1.00 0.00 N ATOM 0 H ASN A 49 -4.402 1.717 -13.698 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.970 1.793 -14.891 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.332 2.735 -12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.776 1.925 -12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.713 -1.211 -13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.490 -0.029 -14.281 1.00 0.00 H new ATOM 716 N TRP A 50 -7.807 4.245 -14.414 1.00 0.00 N ATOM 717 CA TRP A 50 -8.153 5.649 -14.559 1.00 0.00 C ATOM 718 C TRP A 50 -7.598 6.136 -15.899 1.00 0.00 C ATOM 719 O TRP A 50 -6.605 5.605 -16.394 1.00 0.00 O ATOM 720 CB TRP A 50 -7.645 6.465 -13.369 1.00 0.00 C ATOM 721 CG TRP A 50 -7.810 5.765 -12.019 1.00 0.00 C ATOM 722 CD1 TRP A 50 -8.793 4.942 -11.630 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.920 5.861 -10.887 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.604 4.502 -10.336 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.428 5.079 -9.870 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.725 6.584 -10.727 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -6.807 4.945 -8.622 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.116 6.440 -9.474 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.615 5.657 -8.440 1.00 0.00 C ATOM 0 H TRP A 50 -8.605 3.612 -14.365 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.235 5.782 -14.561 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.590 6.693 -13.522 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.176 7.416 -13.341 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.629 4.658 -12.252 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.214 3.870 -9.817 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.309 7.202 -11.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.225 4.326 -7.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.194 6.975 -9.299 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.086 5.598 -7.500 1.00 0.00 H new ATOM 740 N PRO A 51 -8.281 7.168 -16.463 1.00 0.00 N ATOM 741 CA PRO A 51 -7.866 7.733 -17.736 1.00 0.00 C ATOM 742 C PRO A 51 -6.619 8.604 -17.569 1.00 0.00 C ATOM 743 O PRO A 51 -5.591 8.348 -18.195 1.00 0.00 O ATOM 744 CB PRO A 51 -9.073 8.513 -18.231 1.00 0.00 C ATOM 745 CG PRO A 51 -9.951 8.742 -17.012 1.00 0.00 C ATOM 746 CD PRO A 51 -9.461 7.823 -15.905 1.00 0.00 C ATOM 0 HA PRO A 51 -7.575 6.972 -18.460 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.770 9.460 -18.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.609 7.956 -18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.899 9.783 -16.694 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.994 8.532 -17.248 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.213 8.385 -15.004 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.224 7.096 -15.627 1.00 0.00 H new ATOM 754 N MET A 52 -6.750 9.614 -16.722 1.00 0.00 N ATOM 755 CA MET A 52 -5.647 10.524 -16.466 1.00 0.00 C ATOM 756 C MET A 52 -6.042 11.590 -15.441 1.00 0.00 C ATOM 757 O MET A 52 -6.900 12.428 -15.712 1.00 0.00 O ATOM 758 CB MET A 52 -5.229 11.201 -17.772 1.00 0.00 C ATOM 759 CG MET A 52 -3.714 11.116 -17.974 1.00 0.00 C ATOM 760 SD MET A 52 -3.310 11.400 -19.689 1.00 0.00 S ATOM 761 CE MET A 52 -2.917 13.140 -19.631 1.00 0.00 C ATOM 0 H MET A 52 -7.604 9.822 -16.204 1.00 0.00 H new ATOM 0 HA MET A 52 -4.813 9.950 -16.062 1.00 0.00 H new ATOM 0 HB2 MET A 52 -5.738 10.727 -18.611 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.540 12.246 -17.760 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.213 11.854 -17.347 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.352 10.136 -17.664 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.641 13.484 -20.628 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.786 13.698 -19.283 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.084 13.302 -18.947 1.00 0.00 H new ATOM 771 N ASP A 53 -5.396 11.523 -14.287 1.00 0.00 N ATOM 772 CA ASP A 53 -5.668 12.472 -13.220 1.00 0.00 C ATOM 773 C ASP A 53 -4.347 13.044 -12.703 1.00 0.00 C ATOM 774 O ASP A 53 -4.113 13.079 -11.496 1.00 0.00 O ATOM 775 CB ASP A 53 -6.382 11.794 -12.049 1.00 0.00 C ATOM 776 CG ASP A 53 -7.079 12.747 -11.077 1.00 0.00 C ATOM 777 OD1 ASP A 53 -6.353 13.546 -10.447 1.00 0.00 O ATOM 778 OD2 ASP A 53 -8.322 12.656 -10.986 1.00 0.00 O ATOM 0 H ASP A 53 -4.684 10.826 -14.067 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.305 13.259 -13.623 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.122 11.100 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.655 11.201 -11.494 1.00 0.00 H new ATOM 783 N TRP A 54 -3.519 13.478 -13.641 1.00 0.00 N ATOM 784 CA TRP A 54 -2.228 14.047 -13.295 1.00 0.00 C ATOM 785 C TRP A 54 -1.605 14.617 -14.571 1.00 0.00 C ATOM 786 O TRP A 54 -1.336 13.879 -15.518 1.00 0.00 O ATOM 787 CB TRP A 54 -1.338 13.010 -12.607 1.00 0.00 C ATOM 788 CG TRP A 54 -1.774 11.562 -12.842 1.00 0.00 C ATOM 789 CD1 TRP A 54 -2.332 11.037 -13.941 1.00 0.00 C ATOM 790 CD2 TRP A 54 -1.665 10.469 -11.906 1.00 0.00 C ATOM 791 NE1 TRP A 54 -2.589 9.690 -13.783 1.00 0.00 N ATOM 792 CE2 TRP A 54 -2.171 9.334 -12.506 1.00 0.00 C ATOM 793 CE3 TRP A 54 -1.156 10.440 -10.596 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -2.217 8.087 -11.872 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -1.209 9.186 -9.975 1.00 0.00 C ATOM 796 CH2 TRP A 54 -1.715 8.034 -10.566 1.00 0.00 C ATOM 0 H TRP A 54 -3.717 13.447 -14.641 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.344 14.855 -12.573 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.314 13.133 -12.961 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.330 13.207 -11.535 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.553 11.597 -14.838 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.008 9.070 -14.476 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.756 11.316 -10.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.618 7.213 -12.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.830 9.108 -8.967 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.721 7.102 -10.020 1.00 0.00 H new ATOM 807 N GLU A 55 -1.393 15.925 -14.554 1.00 0.00 N ATOM 808 CA GLU A 55 -0.806 16.602 -15.698 1.00 0.00 C ATOM 809 C GLU A 55 0.352 15.779 -16.266 1.00 0.00 C ATOM 810 O GLU A 55 0.334 15.399 -17.435 1.00 0.00 O ATOM 811 CB GLU A 55 -0.346 18.012 -15.324 1.00 0.00 C ATOM 812 CG GLU A 55 -1.251 19.071 -15.958 1.00 0.00 C ATOM 813 CD GLU A 55 -1.622 20.154 -14.943 1.00 0.00 C ATOM 814 OE1 GLU A 55 -2.045 19.769 -13.831 1.00 0.00 O ATOM 815 OE2 GLU A 55 -1.473 21.342 -15.301 1.00 0.00 O ATOM 0 H GLU A 55 -1.617 16.534 -13.767 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.570 16.698 -16.470 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.353 18.125 -14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.682 18.162 -15.654 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.745 19.524 -16.810 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.157 18.599 -16.339 1.00 0.00 H new ATOM 822 N GLU A 56 1.333 15.529 -15.410 1.00 0.00 N ATOM 823 CA GLU A 56 2.498 14.759 -15.811 1.00 0.00 C ATOM 824 C GLU A 56 2.073 13.377 -16.314 1.00 0.00 C ATOM 825 O GLU A 56 1.167 12.761 -15.755 1.00 0.00 O ATOM 826 CB GLU A 56 3.499 14.640 -14.661 1.00 0.00 C ATOM 827 CG GLU A 56 2.895 13.871 -13.485 1.00 0.00 C ATOM 828 CD GLU A 56 3.062 14.648 -12.177 1.00 0.00 C ATOM 829 OE1 GLU A 56 4.227 14.791 -11.748 1.00 0.00 O ATOM 830 OE2 GLU A 56 2.021 15.080 -11.637 1.00 0.00 O ATOM 0 H GLU A 56 1.344 15.846 -14.441 1.00 0.00 H new ATOM 0 HA GLU A 56 2.994 15.285 -16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.399 14.132 -15.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.801 15.635 -14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.837 13.688 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.376 12.897 -13.397 1.00 0.00 H new ATOM 837 N GLU A 57 2.748 12.931 -17.363 1.00 0.00 N ATOM 838 CA GLU A 57 2.452 11.634 -17.947 1.00 0.00 C ATOM 839 C GLU A 57 3.466 11.301 -19.043 1.00 0.00 C ATOM 840 O GLU A 57 3.165 11.419 -20.229 1.00 0.00 O ATOM 841 CB GLU A 57 1.023 11.591 -18.492 1.00 0.00 C ATOM 842 CG GLU A 57 0.570 10.149 -18.730 1.00 0.00 C ATOM 843 CD GLU A 57 -0.449 10.076 -19.869 1.00 0.00 C ATOM 844 OE1 GLU A 57 -0.358 10.940 -20.769 1.00 0.00 O ATOM 845 OE2 GLU A 57 -1.297 9.159 -19.815 1.00 0.00 O ATOM 0 H GLU A 57 3.499 13.445 -17.824 1.00 0.00 H new ATOM 0 HA GLU A 57 2.531 10.879 -17.165 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.347 12.077 -17.788 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.969 12.152 -19.425 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.433 9.528 -18.969 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.130 9.747 -17.817 1.00 0.00 H new ATOM 852 N GLN A 58 4.648 10.891 -18.606 1.00 0.00 N ATOM 853 CA GLN A 58 5.709 10.540 -19.535 1.00 0.00 C ATOM 854 C GLN A 58 6.961 10.105 -18.771 1.00 0.00 C ATOM 855 O GLN A 58 8.050 10.624 -19.010 1.00 0.00 O ATOM 856 CB GLN A 58 6.019 11.704 -20.478 1.00 0.00 C ATOM 857 CG GLN A 58 6.468 11.194 -21.849 1.00 0.00 C ATOM 858 CD GLN A 58 5.754 11.945 -22.974 1.00 0.00 C ATOM 859 OE1 GLN A 58 4.717 12.560 -22.785 1.00 0.00 O ATOM 860 NE2 GLN A 58 6.365 11.862 -24.153 1.00 0.00 N ATOM 0 H GLN A 58 4.894 10.794 -17.621 1.00 0.00 H new ATOM 0 HA GLN A 58 5.370 9.702 -20.144 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.134 12.331 -20.591 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.800 12.330 -20.045 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.546 11.317 -21.952 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.260 10.127 -21.930 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.231 11.331 -24.242 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.967 12.330 -24.968 1.00 0.00 H new ATOM 869 N VAL A 59 6.764 9.157 -17.866 1.00 0.00 N ATOM 870 CA VAL A 59 7.864 8.647 -17.066 1.00 0.00 C ATOM 871 C VAL A 59 7.729 7.129 -16.930 1.00 0.00 C ATOM 872 O VAL A 59 6.793 6.535 -17.465 1.00 0.00 O ATOM 873 CB VAL A 59 7.907 9.366 -15.716 1.00 0.00 C ATOM 874 CG1 VAL A 59 8.339 10.823 -15.885 1.00 0.00 C ATOM 875 CG2 VAL A 59 6.556 9.274 -15.003 1.00 0.00 C ATOM 0 H VAL A 59 5.859 8.729 -17.669 1.00 0.00 H new ATOM 0 HA VAL A 59 8.817 8.847 -17.556 1.00 0.00 H new ATOM 0 HB VAL A 59 8.649 8.866 -15.094 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.361 11.311 -14.911 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.333 10.858 -16.332 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.631 11.339 -16.533 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.614 9.793 -14.046 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.786 9.736 -15.621 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.305 8.227 -14.833 1.00 0.00 H new ATOM 885 N SER A 60 8.677 6.544 -16.213 1.00 0.00 N ATOM 886 CA SER A 60 8.675 5.106 -16.000 1.00 0.00 C ATOM 887 C SER A 60 9.768 4.724 -15.000 1.00 0.00 C ATOM 888 O SER A 60 10.867 4.337 -15.393 1.00 0.00 O ATOM 889 CB SER A 60 8.875 4.355 -17.318 1.00 0.00 C ATOM 890 OG SER A 60 8.523 5.151 -18.446 1.00 0.00 O ATOM 0 H SER A 60 9.452 7.039 -15.772 1.00 0.00 H new ATOM 0 HA SER A 60 7.705 4.821 -15.594 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.917 4.045 -17.404 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.272 3.447 -17.313 1.00 0.00 H new ATOM 0 HG SER A 60 7.556 5.312 -18.444 1.00 0.00 H new ATOM 896 N SER A 61 9.427 4.846 -13.725 1.00 0.00 N ATOM 897 CA SER A 61 10.366 4.518 -12.665 1.00 0.00 C ATOM 898 C SER A 61 9.613 4.285 -11.354 1.00 0.00 C ATOM 899 O SER A 61 8.649 4.988 -11.054 1.00 0.00 O ATOM 900 CB SER A 61 11.407 5.625 -12.490 1.00 0.00 C ATOM 901 OG SER A 61 12.098 5.905 -13.704 1.00 0.00 O ATOM 0 H SER A 61 8.514 5.167 -13.402 1.00 0.00 H new ATOM 0 HA SER A 61 10.891 3.604 -12.943 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.916 6.531 -12.135 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.124 5.330 -11.724 1.00 0.00 H new ATOM 0 HG SER A 61 12.011 5.142 -14.313 1.00 0.00 H new ATOM 907 N PRO A 62 10.094 3.270 -10.588 1.00 0.00 N ATOM 908 CA PRO A 62 9.478 2.935 -9.315 1.00 0.00 C ATOM 909 C PRO A 62 9.842 3.963 -8.242 1.00 0.00 C ATOM 910 O PRO A 62 9.169 4.061 -7.217 1.00 0.00 O ATOM 911 CB PRO A 62 9.977 1.537 -8.992 1.00 0.00 C ATOM 912 CG PRO A 62 11.211 1.325 -9.853 1.00 0.00 C ATOM 913 CD PRO A 62 11.234 2.416 -10.911 1.00 0.00 C ATOM 0 HA PRO A 62 8.389 2.955 -9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.219 1.444 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.214 0.790 -9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.114 1.366 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.186 0.341 -10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.169 2.976 -10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.144 1.997 -11.913 1.00 0.00 H new ATOM 921 N ASN A 63 10.905 4.705 -8.515 1.00 0.00 N ATOM 922 CA ASN A 63 11.367 5.722 -7.586 1.00 0.00 C ATOM 923 C ASN A 63 10.353 6.867 -7.545 1.00 0.00 C ATOM 924 O ASN A 63 9.770 7.147 -6.499 1.00 0.00 O ATOM 925 CB ASN A 63 12.714 6.300 -8.026 1.00 0.00 C ATOM 926 CG ASN A 63 13.874 5.503 -7.427 1.00 0.00 C ATOM 927 OD1 ASN A 63 14.154 5.561 -6.241 1.00 0.00 O ATOM 928 ND2 ASN A 63 14.532 4.757 -8.310 1.00 0.00 N ATOM 0 H ASN A 63 11.460 4.622 -9.367 1.00 0.00 H new ATOM 0 HA ASN A 63 11.477 5.258 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.782 6.286 -9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.785 7.342 -7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.323 4.188 -8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.246 4.754 -9.289 1.00 0.00 H new ATOM 935 N ILE A 64 10.173 7.498 -8.696 1.00 0.00 N ATOM 936 CA ILE A 64 9.239 8.605 -8.805 1.00 0.00 C ATOM 937 C ILE A 64 7.886 8.184 -8.228 1.00 0.00 C ATOM 938 O ILE A 64 7.275 8.928 -7.461 1.00 0.00 O ATOM 939 CB ILE A 64 9.164 9.104 -10.249 1.00 0.00 C ATOM 940 CG1 ILE A 64 8.623 8.014 -11.177 1.00 0.00 C ATOM 941 CG2 ILE A 64 10.520 9.634 -10.718 1.00 0.00 C ATOM 942 CD1 ILE A 64 8.547 8.512 -12.622 1.00 0.00 C ATOM 0 H ILE A 64 10.659 7.263 -9.562 1.00 0.00 H new ATOM 0 HA ILE A 64 9.586 9.455 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 64 8.463 9.938 -10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.266 7.135 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.633 7.705 -10.842 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.438 9.982 -11.748 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.828 10.461 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.261 8.837 -10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.159 7.718 -13.261 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.885 9.376 -12.675 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.543 8.797 -12.961 1.00 0.00 H new ATOM 954 N LEU A 65 7.456 6.994 -8.620 1.00 0.00 N ATOM 955 CA LEU A 65 6.186 6.465 -8.151 1.00 0.00 C ATOM 956 C LEU A 65 6.436 5.514 -6.979 1.00 0.00 C ATOM 957 O LEU A 65 6.588 4.309 -7.175 1.00 0.00 O ATOM 958 CB LEU A 65 5.413 5.827 -9.307 1.00 0.00 C ATOM 959 CG LEU A 65 4.400 4.748 -8.921 1.00 0.00 C ATOM 960 CD1 LEU A 65 3.524 5.210 -7.755 1.00 0.00 C ATOM 961 CD2 LEU A 65 3.565 4.321 -10.130 1.00 0.00 C ATOM 0 H LEU A 65 7.964 6.381 -9.257 1.00 0.00 H new ATOM 0 HA LEU A 65 5.552 7.270 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.887 6.615 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.131 5.391 -10.002 1.00 0.00 H new ATOM 0 HG LEU A 65 4.950 3.870 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.813 4.424 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.152 5.424 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.982 6.111 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.853 3.553 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.025 5.183 -10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.222 3.922 -10.903 1.00 0.00 H new ATOM 973 N ARG A 66 6.470 6.091 -5.787 1.00 0.00 N ATOM 974 CA ARG A 66 6.699 5.309 -4.584 1.00 0.00 C ATOM 975 C ARG A 66 5.384 5.101 -3.829 1.00 0.00 C ATOM 976 O ARG A 66 4.538 5.993 -3.790 1.00 0.00 O ATOM 977 CB ARG A 66 7.705 6.000 -3.661 1.00 0.00 C ATOM 978 CG ARG A 66 8.345 4.998 -2.699 1.00 0.00 C ATOM 979 CD ARG A 66 9.553 4.314 -3.342 1.00 0.00 C ATOM 980 NE ARG A 66 10.768 4.570 -2.537 1.00 0.00 N ATOM 981 CZ ARG A 66 11.987 4.113 -2.852 1.00 0.00 C ATOM 982 NH1 ARG A 66 12.162 3.373 -3.955 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.033 4.395 -2.062 1.00 0.00 N ATOM 0 H ARG A 66 6.343 7.091 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 66 7.105 4.344 -4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.479 6.482 -4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.204 6.785 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.655 5.510 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.610 4.247 -2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.376 3.241 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.694 4.686 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 66 10.671 5.129 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.367 3.157 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.091 3.026 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.900 4.957 -1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.961 4.047 -2.302 1.00 0.00 H new ATOM 997 N LEU A 67 5.254 3.917 -3.248 1.00 0.00 N ATOM 998 CA LEU A 67 4.058 3.580 -2.496 1.00 0.00 C ATOM 999 C LEU A 67 4.340 3.734 -1.000 1.00 0.00 C ATOM 1000 O LEU A 67 5.356 3.250 -0.503 1.00 0.00 O ATOM 1001 CB LEU A 67 3.553 2.189 -2.887 1.00 0.00 C ATOM 1002 CG LEU A 67 3.207 1.252 -1.728 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.967 1.742 -0.978 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.048 -0.189 -2.218 1.00 0.00 C ATOM 0 H LEU A 67 5.958 3.179 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 67 3.249 4.268 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.666 2.308 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.313 1.708 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 67 4.036 1.263 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.743 1.058 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.154 2.738 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.119 1.779 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.802 -0.835 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.248 -0.236 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.981 -0.524 -2.672 1.00 0.00 H new ATOM 1016 N ILE A 68 3.422 4.410 -0.324 1.00 0.00 N ATOM 1017 CA ILE A 68 3.559 4.633 1.105 1.00 0.00 C ATOM 1018 C ILE A 68 2.600 3.708 1.856 1.00 0.00 C ATOM 1019 O ILE A 68 1.464 3.506 1.429 1.00 0.00 O ATOM 1020 CB ILE A 68 3.370 6.115 1.436 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.491 6.960 0.830 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.244 6.328 2.946 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.061 7.564 -0.508 1.00 0.00 C ATOM 0 H ILE A 68 2.581 4.810 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 68 4.567 4.382 1.435 1.00 0.00 H new ATOM 0 HB ILE A 68 2.436 6.449 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.765 7.757 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.379 6.344 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.111 7.390 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.384 5.774 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.148 5.972 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.877 8.160 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.811 6.764 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.188 8.199 -0.357 1.00 0.00 H new ATOM 1035 N TYR A 69 3.093 3.170 2.962 1.00 0.00 N ATOM 1036 CA TYR A 69 2.293 2.270 3.777 1.00 0.00 C ATOM 1037 C TYR A 69 2.482 2.566 5.266 1.00 0.00 C ATOM 1038 O TYR A 69 3.599 2.512 5.777 1.00 0.00 O ATOM 1039 CB TYR A 69 2.810 0.861 3.480 1.00 0.00 C ATOM 1040 CG TYR A 69 2.148 -0.234 4.319 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.941 0.009 4.942 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.759 -1.464 4.454 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.318 -1.022 5.732 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.137 -2.495 5.244 1.00 0.00 C ATOM 1045 CZ TYR A 69 0.947 -2.223 5.844 1.00 0.00 C ATOM 1046 OH TYR A 69 0.359 -3.196 6.590 1.00 0.00 O ATOM 0 H TYR A 69 4.036 3.340 3.313 1.00 0.00 H new ATOM 0 HA TYR A 69 1.233 2.384 3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.651 0.642 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.886 0.836 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.463 0.972 4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.704 -1.654 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.627 -0.845 6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.605 -3.462 5.357 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.615 -3.089 6.559 1.00 0.00 H new ATOM 1056 N GLN A 70 1.371 2.872 5.921 1.00 0.00 N ATOM 1057 CA GLN A 70 1.400 3.177 7.341 1.00 0.00 C ATOM 1058 C GLN A 70 2.269 4.408 7.603 1.00 0.00 C ATOM 1059 O GLN A 70 2.665 4.663 8.739 1.00 0.00 O ATOM 1060 CB GLN A 70 1.893 1.975 8.150 1.00 0.00 C ATOM 1061 CG GLN A 70 0.726 1.081 8.571 1.00 0.00 C ATOM 1062 CD GLN A 70 0.712 0.875 10.087 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.719 0.999 10.766 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.481 0.553 10.579 1.00 0.00 N ATOM 0 H GLN A 70 0.446 2.915 5.494 1.00 0.00 H new ATOM 0 HA GLN A 70 0.383 3.399 7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.601 1.398 7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.427 2.322 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.214 1.531 8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.803 0.116 8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.283 0.465 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.594 0.394 11.580 1.00 0.00 H new ATOM 1073 N GLY A 71 2.541 5.139 6.532 1.00 0.00 N ATOM 1074 CA GLY A 71 3.356 6.338 6.631 1.00 0.00 C ATOM 1075 C GLY A 71 4.725 6.125 5.983 1.00 0.00 C ATOM 1076 O GLY A 71 5.293 7.051 5.405 1.00 0.00 O ATOM 0 H GLY A 71 2.211 4.924 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.846 7.170 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.484 6.610 7.679 1.00 0.00 H new ATOM 1080 N ARG A 72 5.216 4.900 6.099 1.00 0.00 N ATOM 1081 CA ARG A 72 6.508 4.554 5.531 1.00 0.00 C ATOM 1082 C ARG A 72 6.375 4.298 4.029 1.00 0.00 C ATOM 1083 O ARG A 72 5.275 4.349 3.481 1.00 0.00 O ATOM 1084 CB ARG A 72 7.090 3.309 6.204 1.00 0.00 C ATOM 1085 CG ARG A 72 7.588 3.631 7.614 1.00 0.00 C ATOM 1086 CD ARG A 72 7.413 2.429 8.546 1.00 0.00 C ATOM 1087 NE ARG A 72 8.715 2.055 9.140 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.342 2.769 10.085 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.790 3.898 10.549 1.00 0.00 N ATOM 1090 NH2 ARG A 72 10.522 2.353 10.567 1.00 0.00 N ATOM 0 H ARG A 72 4.742 4.134 6.578 1.00 0.00 H new ATOM 0 HA ARG A 72 7.181 5.394 5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.331 2.528 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.912 2.918 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.639 3.916 7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.040 4.486 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.700 2.671 9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.001 1.586 7.992 1.00 0.00 H new ATOM 0 HE ARG A 72 9.164 1.200 8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.892 4.215 10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.268 4.441 11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.942 1.493 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.999 2.896 11.286 1.00 0.00 H new ATOM 1104 N PHE A 73 7.513 4.029 3.404 1.00 0.00 N ATOM 1105 CA PHE A 73 7.538 3.765 1.976 1.00 0.00 C ATOM 1106 C PHE A 73 8.015 2.339 1.690 1.00 0.00 C ATOM 1107 O PHE A 73 8.992 1.878 2.277 1.00 0.00 O ATOM 1108 CB PHE A 73 8.526 4.755 1.355 1.00 0.00 C ATOM 1109 CG PHE A 73 8.145 6.223 1.557 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.306 6.806 2.775 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.645 6.945 0.518 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.952 8.168 2.963 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.292 8.307 0.706 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.453 8.890 1.924 1.00 0.00 C ATOM 0 H PHE A 73 8.424 3.988 3.861 1.00 0.00 H new ATOM 0 HA PHE A 73 6.537 3.875 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.514 4.584 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.603 4.554 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.703 6.233 3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.517 6.482 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.079 8.631 3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.895 8.881 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.185 9.926 2.066 1.00 0.00 H new ATOM 1124 N LEU A 74 7.303 1.681 0.787 1.00 0.00 N ATOM 1125 CA LEU A 74 7.641 0.318 0.416 1.00 0.00 C ATOM 1126 C LEU A 74 8.573 0.341 -0.797 1.00 0.00 C ATOM 1127 O LEU A 74 8.454 1.209 -1.660 1.00 0.00 O ATOM 1128 CB LEU A 74 6.372 -0.509 0.200 1.00 0.00 C ATOM 1129 CG LEU A 74 5.487 -0.713 1.432 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.286 -1.602 1.103 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.300 -1.258 2.608 1.00 0.00 C ATOM 0 H LEU A 74 6.493 2.067 0.301 1.00 0.00 H new ATOM 0 HA LEU A 74 8.181 -0.174 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.776 -0.028 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.661 -1.488 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 74 5.095 0.258 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.674 -1.731 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.691 -1.134 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.637 -2.575 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.647 -1.394 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.741 -2.216 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.092 -0.553 2.860 1.00 0.00 H new ATOM 1143 N HIS A 75 9.481 -0.625 -0.824 1.00 0.00 N ATOM 1144 CA HIS A 75 10.433 -0.726 -1.917 1.00 0.00 C ATOM 1145 C HIS A 75 9.710 -1.179 -3.187 1.00 0.00 C ATOM 1146 O HIS A 75 8.615 -1.734 -3.118 1.00 0.00 O ATOM 1147 CB HIS A 75 11.598 -1.644 -1.539 1.00 0.00 C ATOM 1148 CG HIS A 75 12.954 -1.106 -1.928 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.629 -1.523 -3.062 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.754 -0.181 -1.323 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.781 -0.873 -3.126 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.857 -0.042 -2.047 1.00 0.00 N ATOM 0 H HIS A 75 9.577 -1.344 -0.107 1.00 0.00 H new ATOM 0 HA HIS A 75 10.868 0.253 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.580 -1.812 -0.462 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.453 -2.614 -2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.528 0.348 -0.409 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.529 -0.982 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.634 0.583 -1.832 1.00 0.00 H new ATOM 1160 N GLY A 76 10.353 -0.924 -4.317 1.00 0.00 N ATOM 1161 CA GLY A 76 9.785 -1.298 -5.601 1.00 0.00 C ATOM 1162 C GLY A 76 9.931 -2.800 -5.849 1.00 0.00 C ATOM 1163 O GLY A 76 9.165 -3.384 -6.614 1.00 0.00 O ATOM 0 H GLY A 76 11.261 -0.463 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.731 -1.022 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.282 -0.744 -6.398 1.00 0.00 H new ATOM 1167 N ASN A 77 10.919 -3.383 -5.186 1.00 0.00 N ATOM 1168 CA ASN A 77 11.175 -4.807 -5.325 1.00 0.00 C ATOM 1169 C ASN A 77 10.319 -5.575 -4.316 1.00 0.00 C ATOM 1170 O ASN A 77 10.108 -6.778 -4.464 1.00 0.00 O ATOM 1171 CB ASN A 77 12.643 -5.132 -5.043 1.00 0.00 C ATOM 1172 CG ASN A 77 13.285 -5.847 -6.234 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.617 -6.392 -7.097 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.614 -5.816 -6.231 1.00 0.00 N ATOM 0 H ASN A 77 11.552 -2.896 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 77 10.931 -5.096 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.188 -4.213 -4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.716 -5.760 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.136 -6.266 -6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.111 -5.342 -5.477 1.00 0.00 H new ATOM 1181 N VAL A 78 9.848 -4.849 -3.313 1.00 0.00 N ATOM 1182 CA VAL A 78 9.019 -5.447 -2.280 1.00 0.00 C ATOM 1183 C VAL A 78 7.776 -6.064 -2.924 1.00 0.00 C ATOM 1184 O VAL A 78 7.295 -5.577 -3.946 1.00 0.00 O ATOM 1185 CB VAL A 78 8.684 -4.407 -1.210 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.439 -4.814 -0.419 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.875 -4.177 -0.277 1.00 0.00 C ATOM 0 H VAL A 78 10.025 -3.852 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 78 9.557 -6.250 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 78 8.467 -3.466 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.223 -4.057 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.590 -4.903 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.615 -5.772 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.610 -3.433 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.137 -5.113 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.727 -3.821 -0.856 1.00 0.00 H new ATOM 1197 N THR A 79 7.290 -7.127 -2.299 1.00 0.00 N ATOM 1198 CA THR A 79 6.112 -7.815 -2.798 1.00 0.00 C ATOM 1199 C THR A 79 5.200 -8.221 -1.639 1.00 0.00 C ATOM 1200 O THR A 79 5.677 -8.666 -0.596 1.00 0.00 O ATOM 1201 CB THR A 79 6.580 -9.000 -3.646 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.180 -9.885 -2.704 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.726 -8.628 -4.590 1.00 0.00 C ATOM 0 H THR A 79 7.691 -7.528 -1.451 1.00 0.00 H new ATOM 0 HA THR A 79 5.511 -7.161 -3.430 1.00 0.00 H new ATOM 0 HB THR A 79 5.742 -9.385 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.510 -10.682 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.020 -9.504 -5.168 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.398 -7.839 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.577 -8.275 -4.008 1.00 0.00 H new ATOM 1211 N LEU A 80 3.905 -8.052 -1.860 1.00 0.00 N ATOM 1212 CA LEU A 80 2.921 -8.394 -0.847 1.00 0.00 C ATOM 1213 C LEU A 80 3.332 -9.701 -0.165 1.00 0.00 C ATOM 1214 O LEU A 80 3.127 -9.871 1.036 1.00 0.00 O ATOM 1215 CB LEU A 80 1.517 -8.432 -1.453 1.00 0.00 C ATOM 1216 CG LEU A 80 0.871 -7.073 -1.732 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.453 -7.240 -2.481 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.702 -6.271 -0.441 1.00 0.00 C ATOM 0 H LEU A 80 3.514 -7.682 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 80 2.888 -7.626 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.561 -8.990 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.867 -8.990 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 80 1.538 -6.503 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.892 -6.260 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.273 -7.743 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.139 -7.836 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.241 -5.310 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.067 -6.824 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.678 -6.107 0.016 1.00 0.00 H new ATOM 1230 N GLY A 81 3.905 -10.592 -0.962 1.00 0.00 N ATOM 1231 CA GLY A 81 4.346 -11.879 -0.451 1.00 0.00 C ATOM 1232 C GLY A 81 5.382 -11.701 0.661 1.00 0.00 C ATOM 1233 O GLY A 81 5.273 -12.317 1.720 1.00 0.00 O ATOM 0 H GLY A 81 4.074 -10.448 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.490 -12.436 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.775 -12.469 -1.261 1.00 0.00 H new ATOM 1237 N ALA A 82 6.364 -10.856 0.381 1.00 0.00 N ATOM 1238 CA ALA A 82 7.419 -10.590 1.344 1.00 0.00 C ATOM 1239 C ALA A 82 6.836 -9.823 2.533 1.00 0.00 C ATOM 1240 O ALA A 82 7.407 -9.833 3.623 1.00 0.00 O ATOM 1241 CB ALA A 82 8.555 -9.828 0.659 1.00 0.00 C ATOM 0 H ALA A 82 6.451 -10.347 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 82 7.835 -11.522 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.347 -9.628 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.953 -10.427 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.176 -8.885 0.267 1.00 0.00 H new ATOM 1247 N LEU A 83 5.707 -9.176 2.284 1.00 0.00 N ATOM 1248 CA LEU A 83 5.041 -8.406 3.320 1.00 0.00 C ATOM 1249 C LEU A 83 4.175 -9.340 4.167 1.00 0.00 C ATOM 1250 O LEU A 83 3.510 -8.898 5.103 1.00 0.00 O ATOM 1251 CB LEU A 83 4.266 -7.238 2.705 1.00 0.00 C ATOM 1252 CG LEU A 83 5.098 -6.219 1.925 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.205 -5.141 1.306 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.196 -5.618 2.805 1.00 0.00 C ATOM 0 H LEU A 83 5.236 -9.169 1.379 1.00 0.00 H new ATOM 0 HA LEU A 83 5.773 -7.955 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.505 -7.644 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.742 -6.714 3.505 1.00 0.00 H new ATOM 0 HG LEU A 83 5.592 -6.739 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.821 -4.429 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.493 -5.606 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.664 -4.619 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.773 -4.897 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.743 -5.117 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.856 -6.411 3.156 1.00 0.00 H new ATOM 1266 N LYS A 84 4.211 -10.615 3.809 1.00 0.00 N ATOM 1267 CA LYS A 84 3.438 -11.616 4.525 1.00 0.00 C ATOM 1268 C LYS A 84 2.149 -10.979 5.049 1.00 0.00 C ATOM 1269 O LYS A 84 1.773 -11.188 6.201 1.00 0.00 O ATOM 1270 CB LYS A 84 4.288 -12.271 5.615 1.00 0.00 C ATOM 1271 CG LYS A 84 4.960 -11.215 6.495 1.00 0.00 C ATOM 1272 CD LYS A 84 3.974 -10.645 7.517 1.00 0.00 C ATOM 1273 CE LYS A 84 4.714 -10.018 8.701 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.760 -9.642 9.768 1.00 0.00 N ATOM 0 H LYS A 84 4.763 -10.978 3.032 1.00 0.00 H new ATOM 0 HA LYS A 84 3.145 -12.424 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.662 -12.917 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.047 -12.905 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.812 -11.656 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.349 -10.410 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.343 -9.896 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.315 -11.437 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.448 -10.722 9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.263 -9.137 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.278 -9.218 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.075 -8.954 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.255 -10.490 10.096 1.00 0.00 H new ATOM 1288 N LEU A 85 1.507 -10.216 4.177 1.00 0.00 N ATOM 1289 CA LEU A 85 0.268 -9.548 4.537 1.00 0.00 C ATOM 1290 C LEU A 85 -0.850 -10.585 4.658 1.00 0.00 C ATOM 1291 O LEU A 85 -0.830 -11.607 3.974 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.042 -8.423 3.547 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.097 -7.010 4.132 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.013 -6.801 5.165 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.055 -5.956 3.024 1.00 0.00 C ATOM 0 H LEU A 85 1.822 -10.045 3.222 1.00 0.00 H new ATOM 0 HA LEU A 85 0.364 -9.067 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.713 -8.440 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.000 -8.636 3.074 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.048 -6.892 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.952 -5.789 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.895 -7.520 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.984 -6.945 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.095 -4.961 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.869 -6.063 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.908 -6.092 2.360 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.824 -10.279 5.557 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.948 -11.173 5.777 1.00 0.00 C ATOM 1309 C PRO A 86 -3.944 -11.096 4.618 1.00 0.00 C ATOM 1310 O PRO A 86 -4.296 -10.007 4.169 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.545 -10.736 7.104 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.027 -9.328 7.351 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.880 -9.078 6.385 1.00 0.00 C ATOM 0 HA PRO A 86 -2.651 -12.221 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.634 -10.750 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.245 -11.409 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.821 -8.597 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.689 -9.221 8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.058 -8.188 5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.942 -8.920 6.917 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.371 -12.267 4.168 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.321 -12.346 3.071 1.00 0.00 C ATOM 1323 C PHE A 87 -6.723 -11.941 3.529 1.00 0.00 C ATOM 1324 O PHE A 87 -6.976 -11.813 4.726 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.349 -13.804 2.608 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.048 -14.275 1.955 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.384 -13.458 1.094 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.555 -15.511 2.236 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.176 -13.895 0.489 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.347 -15.948 1.631 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.684 -15.131 0.770 1.00 0.00 C ATOM 0 H PHE A 87 -4.077 -13.169 4.543 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.021 -11.670 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.565 -14.442 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.167 -13.934 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.776 -12.477 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.082 -16.160 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.648 -13.246 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.955 -16.929 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.766 -15.464 0.309 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.598 -11.751 2.552 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.969 -11.364 2.840 1.00 0.00 C ATOM 1343 C GLY A 88 -9.013 -10.213 3.848 1.00 0.00 C ATOM 1344 O GLY A 88 -9.781 -10.254 4.808 1.00 0.00 O ATOM 0 H GLY A 88 -7.384 -11.858 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.467 -11.064 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.517 -12.219 3.235 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.179 -9.215 3.596 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.113 -8.056 4.469 1.00 0.00 C ATOM 1350 C LYS A 89 -7.987 -6.790 3.620 1.00 0.00 C ATOM 1351 O LYS A 89 -7.923 -6.864 2.394 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.992 -8.222 5.497 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.446 -9.094 6.669 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.581 -8.267 7.948 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.789 -9.170 9.166 1.00 0.00 C ATOM 1356 NZ LYS A 89 -8.390 -8.405 10.282 1.00 0.00 N ATOM 0 H LYS A 89 -7.543 -9.185 2.799 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.032 -7.962 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.121 -8.672 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.684 -7.243 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.402 -9.560 6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.729 -9.900 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.686 -7.660 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.421 -7.579 7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.436 -10.006 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.835 -9.593 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.524 -9.033 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.758 -7.622 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.310 -8.022 9.985 1.00 0.00 H new ATOM 1370 N THR A 90 -7.954 -5.656 4.306 1.00 0.00 N ATOM 1371 CA THR A 90 -7.837 -4.376 3.630 1.00 0.00 C ATOM 1372 C THR A 90 -6.686 -3.562 4.225 1.00 0.00 C ATOM 1373 O THR A 90 -6.662 -3.300 5.427 1.00 0.00 O ATOM 1374 CB THR A 90 -9.190 -3.668 3.719 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.065 -4.496 2.957 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.202 -2.331 2.975 1.00 0.00 C ATOM 0 H THR A 90 -8.006 -5.598 5.323 1.00 0.00 H new ATOM 0 HA THR A 90 -7.591 -4.507 2.576 1.00 0.00 H new ATOM 0 HB THR A 90 -9.445 -3.503 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.966 -4.112 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.185 -1.871 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.449 -1.670 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.980 -2.499 1.921 1.00 0.00 H new ATOM 1384 N THR A 91 -5.759 -3.185 3.357 1.00 0.00 N ATOM 1385 CA THR A 91 -4.608 -2.407 3.782 1.00 0.00 C ATOM 1386 C THR A 91 -4.739 -0.958 3.308 1.00 0.00 C ATOM 1387 O THR A 91 -5.335 -0.694 2.265 1.00 0.00 O ATOM 1388 CB THR A 91 -3.348 -3.103 3.263 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.189 -4.223 4.129 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.083 -2.273 3.491 1.00 0.00 C ATOM 0 H THR A 91 -5.782 -3.404 2.361 1.00 0.00 H new ATOM 0 HA THR A 91 -4.545 -2.357 4.869 1.00 0.00 H new ATOM 0 HB THR A 91 -3.460 -3.308 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.395 -4.732 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.219 -2.813 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.176 -1.318 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.952 -2.095 4.558 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.173 -0.057 4.098 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.220 1.358 3.773 1.00 0.00 C ATOM 1400 C VAL A 92 -2.832 1.820 3.324 1.00 0.00 C ATOM 1401 O VAL A 92 -1.850 1.632 4.040 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.758 2.152 4.965 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.596 3.657 4.740 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.218 1.794 5.249 1.00 0.00 C ATOM 0 H VAL A 92 -3.680 -0.280 4.962 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.906 1.537 2.945 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.170 1.879 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.986 4.198 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.540 3.894 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.146 3.953 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.575 2.373 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.826 2.024 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.294 0.730 5.475 1.00 0.00 H new ATOM 1414 N MET A 93 -2.796 2.416 2.142 1.00 0.00 N ATOM 1415 CA MET A 93 -1.544 2.906 1.589 1.00 0.00 C ATOM 1416 C MET A 93 -1.762 4.201 0.804 1.00 0.00 C ATOM 1417 O MET A 93 -2.835 4.419 0.242 1.00 0.00 O ATOM 1418 CB MET A 93 -0.943 1.845 0.666 1.00 0.00 C ATOM 1419 CG MET A 93 -0.130 0.822 1.464 1.00 0.00 C ATOM 1420 SD MET A 93 0.292 -0.566 0.424 1.00 0.00 S ATOM 1421 CE MET A 93 0.746 -1.760 1.671 1.00 0.00 C ATOM 0 H MET A 93 -3.613 2.571 1.551 1.00 0.00 H new ATOM 0 HA MET A 93 -0.861 3.112 2.413 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.740 1.337 0.122 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.304 2.323 -0.077 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.777 1.287 1.850 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.704 0.481 2.325 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.398 -2.749 1.372 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.830 -1.776 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.288 -1.486 2.621 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.726 5.028 0.789 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.791 6.296 0.082 1.00 0.00 C ATOM 1433 C HIS A 94 0.118 6.244 -1.148 1.00 0.00 C ATOM 1434 O HIS A 94 1.090 5.490 -1.175 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.455 7.458 1.018 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.572 7.825 1.967 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.300 6.880 2.668 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.076 9.041 2.322 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.200 7.511 3.409 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.059 8.850 3.192 1.00 0.00 N ATOM 0 H HIS A 94 0.163 4.844 1.255 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.809 6.470 -0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.431 7.199 1.598 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.199 8.332 0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.733 9.998 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.918 7.047 4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.618 9.584 3.627 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.231 7.055 -2.136 1.00 0.00 N ATOM 1449 CA LEU A 95 0.541 7.111 -3.366 1.00 0.00 C ATOM 1450 C LEU A 95 0.942 8.561 -3.645 1.00 0.00 C ATOM 1451 O LEU A 95 0.218 9.489 -3.290 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.229 6.454 -4.513 1.00 0.00 C ATOM 1453 CG LEU A 95 0.619 5.898 -5.659 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.213 4.987 -6.564 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.289 7.028 -6.443 1.00 0.00 C ATOM 0 H LEU A 95 -1.038 7.679 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 95 1.463 6.539 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.828 5.641 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.924 7.186 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 95 1.414 5.288 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.413 4.605 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.603 4.153 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.043 5.553 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.886 6.606 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.525 7.684 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.934 7.600 -5.777 1.00 0.00 H new ATOM 1467 N VAL A 96 2.096 8.710 -4.280 1.00 0.00 N ATOM 1468 CA VAL A 96 2.602 10.031 -4.611 1.00 0.00 C ATOM 1469 C VAL A 96 3.534 9.927 -5.820 1.00 0.00 C ATOM 1470 O VAL A 96 3.967 8.834 -6.182 1.00 0.00 O ATOM 1471 CB VAL A 96 3.276 10.655 -3.388 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.293 10.779 -2.223 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.515 9.857 -2.978 1.00 0.00 C ATOM 0 H VAL A 96 2.694 7.938 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 96 1.783 10.695 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 96 3.600 11.660 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.798 11.226 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.455 11.410 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.924 9.790 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.975 10.322 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.225 8.835 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.229 9.845 -3.802 1.00 0.00 H new ATOM 1483 N ALA A 97 3.816 11.079 -6.410 1.00 0.00 N ATOM 1484 CA ALA A 97 4.689 11.132 -7.571 1.00 0.00 C ATOM 1485 C ALA A 97 5.754 12.209 -7.355 1.00 0.00 C ATOM 1486 O ALA A 97 5.453 13.401 -7.396 1.00 0.00 O ATOM 1487 CB ALA A 97 3.854 11.381 -8.828 1.00 0.00 C ATOM 0 H ALA A 97 3.455 11.983 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 97 5.205 10.181 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.509 11.421 -9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.134 10.572 -8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.323 12.328 -8.730 1.00 0.00 H new ATOM 1493 N ARG A 98 6.976 11.751 -7.128 1.00 0.00 N ATOM 1494 CA ARG A 98 8.087 12.661 -6.906 1.00 0.00 C ATOM 1495 C ARG A 98 9.386 11.876 -6.711 1.00 0.00 C ATOM 1496 O ARG A 98 9.484 11.046 -5.808 1.00 0.00 O ATOM 1497 CB ARG A 98 7.841 13.540 -5.678 1.00 0.00 C ATOM 1498 CG ARG A 98 8.438 14.935 -5.873 1.00 0.00 C ATOM 1499 CD ARG A 98 7.414 15.888 -6.493 1.00 0.00 C ATOM 1500 NE ARG A 98 8.093 16.841 -7.399 1.00 0.00 N ATOM 1501 CZ ARG A 98 7.462 17.803 -8.086 1.00 0.00 C ATOM 1502 NH1 ARG A 98 6.135 17.947 -7.973 1.00 0.00 N ATOM 1503 NH2 ARG A 98 8.159 18.622 -8.885 1.00 0.00 N ATOM 0 H ARG A 98 7.221 10.762 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 98 8.173 13.300 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.770 13.622 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.281 13.072 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.772 15.329 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.317 14.872 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.664 15.321 -7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.889 16.431 -5.708 1.00 0.00 H new ATOM 0 HE ARG A 98 9.104 16.761 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.604 17.324 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.655 18.679 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.170 18.513 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.679 19.354 -9.408 1.00 0.00 H new ATOM 1517 N GLU A 99 10.350 12.166 -7.572 1.00 0.00 N ATOM 1518 CA GLU A 99 11.638 11.497 -7.506 1.00 0.00 C ATOM 1519 C GLU A 99 12.341 11.828 -6.188 1.00 0.00 C ATOM 1520 O GLU A 99 13.328 11.188 -5.829 1.00 0.00 O ATOM 1521 CB GLU A 99 12.513 11.873 -8.704 1.00 0.00 C ATOM 1522 CG GLU A 99 13.652 10.868 -8.888 1.00 0.00 C ATOM 1523 CD GLU A 99 14.066 10.771 -10.357 1.00 0.00 C ATOM 1524 OE1 GLU A 99 13.461 9.935 -11.063 1.00 0.00 O ATOM 1525 OE2 GLU A 99 14.977 11.535 -10.742 1.00 0.00 O ATOM 0 H GLU A 99 10.265 12.855 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 99 11.469 10.421 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.904 11.907 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.924 12.872 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 99 14.508 11.169 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.338 9.888 -8.530 1.00 0.00 H new ATOM 1532 N THR A 100 11.805 12.828 -5.504 1.00 0.00 N ATOM 1533 CA THR A 100 12.369 13.252 -4.233 1.00 0.00 C ATOM 1534 C THR A 100 11.310 13.183 -3.131 1.00 0.00 C ATOM 1535 O THR A 100 10.234 12.621 -3.332 1.00 0.00 O ATOM 1536 CB THR A 100 12.960 14.650 -4.421 1.00 0.00 C ATOM 1537 OG1 THR A 100 11.976 15.343 -5.186 1.00 0.00 O ATOM 1538 CG2 THR A 100 14.197 14.647 -5.322 1.00 0.00 C ATOM 0 H THR A 100 10.987 13.357 -5.805 1.00 0.00 H new ATOM 0 HA THR A 100 13.170 12.585 -3.913 1.00 0.00 H new ATOM 0 HB THR A 100 13.220 15.067 -3.448 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.278 16.260 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.577 15.664 -5.422 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.967 14.014 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.930 14.261 -6.306 1.00 0.00 H new ATOM 1546 N LEU A 101 11.652 13.762 -1.989 1.00 0.00 N ATOM 1547 CA LEU A 101 10.745 13.773 -0.854 1.00 0.00 C ATOM 1548 C LEU A 101 9.560 14.691 -1.164 1.00 0.00 C ATOM 1549 O LEU A 101 9.656 15.567 -2.022 1.00 0.00 O ATOM 1550 CB LEU A 101 11.494 14.147 0.427 1.00 0.00 C ATOM 1551 CG LEU A 101 12.888 13.538 0.590 1.00 0.00 C ATOM 1552 CD1 LEU A 101 13.949 14.630 0.737 1.00 0.00 C ATOM 1553 CD2 LEU A 101 12.920 12.547 1.755 1.00 0.00 C ATOM 0 H LEU A 101 12.545 14.227 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 101 10.340 12.776 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.586 15.232 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.886 13.847 1.281 1.00 0.00 H new ATOM 0 HG LEU A 101 13.125 12.979 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.931 14.170 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.946 15.262 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.728 15.236 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.922 12.128 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.653 13.062 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.207 11.744 1.569 1.00 0.00 H new ATOM 1565 N PRO A 102 8.441 14.452 -0.429 1.00 0.00 N ATOM 1566 CA PRO A 102 7.239 15.246 -0.616 1.00 0.00 C ATOM 1567 C PRO A 102 7.395 16.634 0.010 1.00 0.00 C ATOM 1568 O PRO A 102 7.301 17.645 -0.683 1.00 0.00 O ATOM 1569 CB PRO A 102 6.125 14.430 0.020 1.00 0.00 C ATOM 1570 CG PRO A 102 6.811 13.437 0.944 1.00 0.00 C ATOM 1571 CD PRO A 102 8.291 13.423 0.596 1.00 0.00 C ATOM 0 HA PRO A 102 7.023 15.440 -1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.440 15.071 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 102 5.536 13.915 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.666 13.722 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 102 6.381 12.443 0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.905 13.642 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.601 12.446 0.225 1.00 0.00 H new ATOM 1579 N GLU A 103 7.632 16.636 1.314 1.00 0.00 N ATOM 1580 CA GLU A 103 7.802 17.883 2.041 1.00 0.00 C ATOM 1581 C GLU A 103 9.159 17.903 2.749 1.00 0.00 C ATOM 1582 O GLU A 103 9.736 16.852 3.023 1.00 0.00 O ATOM 1583 CB GLU A 103 6.661 18.097 3.037 1.00 0.00 C ATOM 1584 CG GLU A 103 5.322 18.247 2.313 1.00 0.00 C ATOM 1585 CD GLU A 103 4.311 17.212 2.809 1.00 0.00 C ATOM 1586 OE1 GLU A 103 4.352 16.914 4.022 1.00 0.00 O ATOM 1587 OE2 GLU A 103 3.519 16.741 1.964 1.00 0.00 O ATOM 0 H GLU A 103 7.710 15.795 1.885 1.00 0.00 H new ATOM 0 HA GLU A 103 7.774 18.705 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.613 17.254 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.857 18.987 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.928 19.251 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.470 18.130 1.239 1.00 0.00 H new ATOM 1594 N PRO A 104 9.641 19.143 3.031 1.00 0.00 N ATOM 1595 CA PRO A 104 10.919 19.314 3.701 1.00 0.00 C ATOM 1596 C PRO A 104 10.806 18.981 5.190 1.00 0.00 C ATOM 1597 O PRO A 104 10.814 19.877 6.033 1.00 0.00 O ATOM 1598 CB PRO A 104 11.307 20.761 3.444 1.00 0.00 C ATOM 1599 CG PRO A 104 10.026 21.471 3.040 1.00 0.00 C ATOM 1600 CD PRO A 104 8.985 20.410 2.721 1.00 0.00 C ATOM 0 HA PRO A 104 11.686 18.637 3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.740 21.214 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.057 20.830 2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.678 22.117 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.200 22.108 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.084 20.546 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.682 20.454 1.675 1.00 0.00 H new ATOM 1608 N ASN A 105 10.703 17.690 5.469 1.00 0.00 N ATOM 1609 CA ASN A 105 10.588 17.227 6.842 1.00 0.00 C ATOM 1610 C ASN A 105 10.774 15.709 6.881 1.00 0.00 C ATOM 1611 O ASN A 105 9.981 14.968 6.303 1.00 0.00 O ATOM 1612 CB ASN A 105 9.208 17.549 7.418 1.00 0.00 C ATOM 1613 CG ASN A 105 9.315 18.552 8.569 1.00 0.00 C ATOM 1614 OD1 ASN A 105 10.320 19.219 8.754 1.00 0.00 O ATOM 1615 ND2 ASN A 105 8.226 18.621 9.329 1.00 0.00 N ATOM 0 H ASN A 105 10.697 16.950 4.768 1.00 0.00 H new ATOM 0 HA ASN A 105 11.352 17.732 7.433 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.569 17.956 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.735 16.633 7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.198 19.261 10.123 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.419 18.034 9.118 1.00 0.00 H new ATOM 1622 N SER A 106 11.827 15.291 7.568 1.00 0.00 N ATOM 1623 CA SER A 106 12.127 13.875 7.691 1.00 0.00 C ATOM 1624 C SER A 106 11.949 13.426 9.142 1.00 0.00 C ATOM 1625 O SER A 106 12.206 14.193 10.069 1.00 0.00 O ATOM 1626 CB SER A 106 13.547 13.569 7.211 1.00 0.00 C ATOM 1627 OG SER A 106 13.584 12.448 6.332 1.00 0.00 O ATOM 0 H SER A 106 12.483 15.909 8.045 1.00 0.00 H new ATOM 0 HA SER A 106 11.432 13.322 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.953 14.443 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.187 13.376 8.072 1.00 0.00 H new ATOM 0 HG SER A 106 14.508 12.286 6.047 1.00 0.00 H new ATOM 1633 N GLN A 107 11.511 12.185 9.295 1.00 0.00 N ATOM 1634 CA GLN A 107 11.296 11.624 10.618 1.00 0.00 C ATOM 1635 C GLN A 107 12.631 11.458 11.348 1.00 0.00 C ATOM 1636 O GLN A 107 13.680 11.360 10.714 1.00 0.00 O ATOM 1637 CB GLN A 107 10.548 10.293 10.534 1.00 0.00 C ATOM 1638 CG GLN A 107 9.618 10.110 11.736 1.00 0.00 C ATOM 1639 CD GLN A 107 10.339 9.403 12.885 1.00 0.00 C ATOM 1640 OE1 GLN A 107 11.285 8.657 12.693 1.00 0.00 O ATOM 1641 NE2 GLN A 107 9.842 9.678 14.087 1.00 0.00 N ATOM 0 H GLN A 107 11.299 11.552 8.524 1.00 0.00 H new ATOM 0 HA GLN A 107 10.676 12.316 11.188 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.968 10.255 9.612 1.00 0.00 H new ATOM 0 HB3 GLN A 107 11.263 9.472 10.495 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.257 11.082 12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.744 9.530 11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.048 10.312 14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.255 9.255 14.918 1.00 0.00 H new ATOM 1650 N GLY A 108 12.547 11.432 12.669 1.00 0.00 N ATOM 1651 CA GLY A 108 13.735 11.280 13.492 1.00 0.00 C ATOM 1652 C GLY A 108 14.741 12.399 13.215 1.00 0.00 C ATOM 1653 O GLY A 108 15.795 12.160 12.627 1.00 0.00 O ATOM 0 H GLY A 108 11.674 11.514 13.191 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.456 11.290 14.546 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.198 10.313 13.294 1.00 0.00 H new ATOM 1657 N GLN A 109 14.380 13.597 13.651 1.00 0.00 N ATOM 1658 CA GLN A 109 15.238 14.754 13.457 1.00 0.00 C ATOM 1659 C GLN A 109 15.012 15.775 14.574 1.00 0.00 C ATOM 1660 O GLN A 109 13.951 16.393 14.649 1.00 0.00 O ATOM 1661 CB GLN A 109 15.007 15.384 12.082 1.00 0.00 C ATOM 1662 CG GLN A 109 16.080 16.429 11.770 1.00 0.00 C ATOM 1663 CD GLN A 109 15.648 17.817 12.248 1.00 0.00 C ATOM 1664 OE1 GLN A 109 14.677 17.980 12.968 1.00 0.00 O ATOM 1665 NE2 GLN A 109 16.423 18.805 11.809 1.00 0.00 N ATOM 0 H GLN A 109 13.505 13.792 14.138 1.00 0.00 H new ATOM 0 HA GLN A 109 16.276 14.424 13.498 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.017 14.608 11.316 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.022 15.849 12.052 1.00 0.00 H new ATOM 0 HG2 GLN A 109 17.016 16.149 12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 109 16.269 16.452 10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.221 18.599 11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.219 19.769 12.073 1.00 0.00 H new ATOM 1674 N ARG A 110 16.027 15.921 15.413 1.00 0.00 N ATOM 1675 CA ARG A 110 15.952 16.857 16.521 1.00 0.00 C ATOM 1676 C ARG A 110 16.706 18.145 16.181 1.00 0.00 C ATOM 1677 O ARG A 110 17.744 18.105 15.523 1.00 0.00 O ATOM 1678 CB ARG A 110 16.543 16.250 17.795 1.00 0.00 C ATOM 1679 CG ARG A 110 18.052 16.038 17.653 1.00 0.00 C ATOM 1680 CD ARG A 110 18.831 17.056 18.488 1.00 0.00 C ATOM 1681 NE ARG A 110 19.794 16.358 19.368 1.00 0.00 N ATOM 1682 CZ ARG A 110 20.447 16.944 20.381 1.00 0.00 C ATOM 1683 NH1 ARG A 110 20.243 18.241 20.649 1.00 0.00 N ATOM 1684 NH2 ARG A 110 21.303 16.232 21.127 1.00 0.00 N ATOM 0 H ARG A 110 16.905 15.407 15.347 1.00 0.00 H new ATOM 0 HA ARG A 110 14.900 17.083 16.693 1.00 0.00 H new ATOM 0 HB2 ARG A 110 16.343 16.907 18.642 1.00 0.00 H new ATOM 0 HB3 ARG A 110 16.057 15.298 18.008 1.00 0.00 H new ATOM 0 HG2 ARG A 110 18.312 15.028 17.970 1.00 0.00 H new ATOM 0 HG3 ARG A 110 18.338 16.127 16.605 1.00 0.00 H new ATOM 0 HD2 ARG A 110 19.360 17.748 17.832 1.00 0.00 H new ATOM 0 HD3 ARG A 110 18.142 17.650 19.088 1.00 0.00 H new ATOM 0 HE ARG A 110 19.972 15.369 19.193 1.00 0.00 H new ATOM 0 HH11 ARG A 110 19.591 18.782 20.082 1.00 0.00 H new ATOM 0 HH12 ARG A 110 20.740 18.687 21.420 1.00 0.00 H new ATOM 0 HH21 ARG A 110 21.457 15.244 20.924 1.00 0.00 H new ATOM 0 HH22 ARG A 110 21.800 16.678 21.898 1.00 0.00 H new ATOM 1698 N SER A 111 16.153 19.256 16.645 1.00 0.00 N ATOM 1699 CA SER A 111 16.760 20.553 16.398 1.00 0.00 C ATOM 1700 C SER A 111 17.328 21.122 17.700 1.00 0.00 C ATOM 1701 O SER A 111 16.889 20.750 18.787 1.00 0.00 O ATOM 1702 CB SER A 111 15.749 21.527 15.790 1.00 0.00 C ATOM 1703 OG SER A 111 14.559 21.616 16.568 1.00 0.00 O ATOM 0 H SER A 111 15.292 19.285 17.190 1.00 0.00 H new ATOM 0 HA SER A 111 17.572 20.420 15.683 1.00 0.00 H new ATOM 0 HB2 SER A 111 16.202 22.515 15.707 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.498 21.205 14.779 1.00 0.00 H new ATOM 0 HG SER A 111 13.940 22.249 16.148 1.00 0.00 H new ATOM 1709 N GLY A 112 18.296 22.013 17.546 1.00 0.00 N ATOM 1710 CA GLY A 112 18.929 22.636 18.696 1.00 0.00 C ATOM 1711 C GLY A 112 18.762 24.157 18.656 1.00 0.00 C ATOM 1712 O GLY A 112 19.500 24.848 17.956 1.00 0.00 O ATOM 0 H GLY A 112 18.658 22.318 16.642 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.492 22.242 19.614 1.00 0.00 H new ATOM 0 HA3 GLY A 112 19.989 22.383 18.714 1.00 0.00 H new ATOM 1716 N PRO A 113 17.761 24.645 19.437 1.00 0.00 N ATOM 1717 CA PRO A 113 17.488 26.071 19.498 1.00 0.00 C ATOM 1718 C PRO A 113 18.543 26.796 20.336 1.00 0.00 C ATOM 1719 O PRO A 113 18.998 26.276 21.353 1.00 0.00 O ATOM 1720 CB PRO A 113 16.089 26.179 20.081 1.00 0.00 C ATOM 1721 CG PRO A 113 15.814 24.844 20.755 1.00 0.00 C ATOM 1722 CD PRO A 113 16.867 23.857 20.279 1.00 0.00 C ATOM 0 HA PRO A 113 17.536 26.551 18.520 1.00 0.00 H new ATOM 0 HB2 PRO A 113 16.027 26.998 20.797 1.00 0.00 H new ATOM 0 HB3 PRO A 113 15.355 26.381 19.301 1.00 0.00 H new ATOM 0 HG2 PRO A 113 15.851 24.949 21.839 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.815 24.488 20.503 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.402 23.414 21.119 1.00 0.00 H new ATOM 0 HD3 PRO A 113 16.417 23.037 19.720 1.00 0.00 H new ATOM 1730 N SER A 114 18.900 27.987 19.878 1.00 0.00 N ATOM 1731 CA SER A 114 19.893 28.789 20.572 1.00 0.00 C ATOM 1732 C SER A 114 19.331 29.273 21.910 1.00 0.00 C ATOM 1733 O SER A 114 18.813 30.385 22.004 1.00 0.00 O ATOM 1734 CB SER A 114 20.333 29.981 19.719 1.00 0.00 C ATOM 1735 OG SER A 114 21.746 30.166 19.751 1.00 0.00 O ATOM 0 H SER A 114 18.519 28.416 19.035 1.00 0.00 H new ATOM 0 HA SER A 114 20.768 28.166 20.756 1.00 0.00 H new ATOM 0 HB2 SER A 114 20.010 29.829 18.689 1.00 0.00 H new ATOM 0 HB3 SER A 114 19.840 30.885 20.077 1.00 0.00 H new ATOM 0 HG SER A 114 21.988 30.935 19.194 1.00 0.00 H new ATOM 1741 N SER A 115 19.452 28.415 22.912 1.00 0.00 N ATOM 1742 CA SER A 115 18.963 28.741 24.241 1.00 0.00 C ATOM 1743 C SER A 115 19.294 27.608 25.214 1.00 0.00 C ATOM 1744 O SER A 115 19.582 26.488 24.793 1.00 0.00 O ATOM 1745 CB SER A 115 17.456 29.004 24.224 1.00 0.00 C ATOM 1746 OG SER A 115 16.721 27.867 23.778 1.00 0.00 O ATOM 0 H SER A 115 19.882 27.494 22.830 1.00 0.00 H new ATOM 0 HA SER A 115 19.460 29.652 24.574 1.00 0.00 H new ATOM 0 HB2 SER A 115 17.125 29.280 25.225 1.00 0.00 H new ATOM 0 HB3 SER A 115 17.243 29.852 23.573 1.00 0.00 H new ATOM 0 HG SER A 115 15.763 28.074 23.783 1.00 0.00 H new ATOM 1752 N GLY A 116 19.241 27.937 26.496 1.00 0.00 N ATOM 1753 CA GLY A 116 19.531 26.960 27.532 1.00 0.00 C ATOM 1754 C GLY A 116 18.546 27.085 28.695 1.00 0.00 C ATOM 1755 O GLY A 116 17.409 27.515 28.507 1.00 0.00 O ATOM 0 H GLY A 116 19.002 28.866 26.841 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.479 25.955 27.114 1.00 0.00 H new ATOM 0 HA3 GLY A 116 20.549 27.102 27.896 1.00 0.00 H new TER 1759 GLY A 116