USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD NoAdj-H: A 39 ALY H : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= 0.00444 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.883 K(o=-0.88,f=0.11) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 50 SER OG : rot 62:sc= 2.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0589) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0548 (180deg=-0.301) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -59:sc= 0.286 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00845) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.14) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 1.09 (180deg=-0.0425) USER MOD Single : A 29 GLN : amide:sc= -4.35! C(o=-4.4!,f=-12!) USER MOD Single : A 31 SER OG : rot -37:sc= 0.259 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0.423 K(o=0.42,f=-6.1!) USER MOD Single : A 37 LYS NZ :NH3+ -144:sc= 0.543 (180deg=-0.965!) USER MOD Single : A 40 MET CE :methyl 147:sc= -2.7! (180deg=-4.37!) USER MOD Single : A 41 THR OG1 : rot 61:sc= 0.835 USER MOD Single : A 42 THR OG1 : rot -82:sc= -3.8! USER MOD Single : A 43 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -3.48! (180deg=-5.89!) USER MOD Single : A 52 CYS SG : rot -55:sc= 0.238 USER MOD Single : A 53 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.038) USER MOD Single : A 55 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.6!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.3!) USER MOD Single : A 61 SER OG : rot -143:sc= -1.38! USER MOD Single : A 69 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.1!) USER MOD Single : A 74 ASN : amide:sc= 0.394 K(o=0.39,f=-5.4!) USER MOD Single : A 75 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-6.2!) USER MOD Single : A 76 THR OG1 : rot -155:sc= -3.06! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 170:sc= -4.45 (180deg=-4.59!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0711 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.370 -8.744 37.342 1.00 0.00 N ATOM 2 CA MET A 1 -11.990 -8.279 37.608 1.00 0.00 C ATOM 3 C MET A 1 -11.314 -7.834 36.314 1.00 0.00 C ATOM 4 O MET A 1 -10.608 -6.828 36.280 1.00 0.00 O ATOM 5 CB MET A 1 -11.176 -9.387 38.284 1.00 0.00 C ATOM 6 CG MET A 1 -9.755 -8.979 38.651 1.00 0.00 C ATOM 7 SD MET A 1 -8.850 -10.305 39.475 1.00 0.00 S ATOM 8 CE MET A 1 -7.245 -9.538 39.701 1.00 0.00 C ATOM 0 H1 MET A 1 -13.859 -8.914 38.244 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.883 -8.018 36.801 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.339 -9.627 36.793 1.00 0.00 H new ATOM 0 HA MET A 1 -12.038 -7.423 38.281 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.696 -9.705 39.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.135 -10.250 37.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.220 -8.684 37.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.787 -8.106 39.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.574 -10.238 40.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.831 -9.268 38.730 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.353 -8.641 40.311 1.00 0.00 H new ATOM 18 N SER A 2 -11.529 -8.581 35.246 1.00 0.00 N ATOM 19 CA SER A 2 -10.973 -8.240 33.961 1.00 0.00 C ATOM 20 C SER A 2 -12.092 -7.820 33.021 1.00 0.00 C ATOM 21 O SER A 2 -12.670 -8.639 32.300 1.00 0.00 O ATOM 22 CB SER A 2 -10.178 -9.417 33.375 1.00 0.00 C ATOM 23 OG SER A 2 -9.496 -9.044 32.180 1.00 0.00 O ATOM 0 H SER A 2 -12.090 -9.433 35.250 1.00 0.00 H new ATOM 0 HA SER A 2 -10.280 -7.407 34.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.457 -9.772 34.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.854 -10.246 33.166 1.00 0.00 H new ATOM 0 HG SER A 2 -8.999 -9.814 31.833 1.00 0.00 H new ATOM 29 N ASP A 3 -12.436 -6.556 33.069 1.00 0.00 N ATOM 30 CA ASP A 3 -13.497 -6.011 32.231 1.00 0.00 C ATOM 31 C ASP A 3 -12.877 -5.311 31.050 1.00 0.00 C ATOM 32 O ASP A 3 -13.092 -5.683 29.895 1.00 0.00 O ATOM 33 CB ASP A 3 -14.358 -5.023 33.027 1.00 0.00 C ATOM 34 CG ASP A 3 -14.777 -5.569 34.373 1.00 0.00 C ATOM 35 OD1 ASP A 3 -15.810 -6.264 34.451 1.00 0.00 O ATOM 36 OD2 ASP A 3 -14.068 -5.309 35.370 1.00 0.00 O ATOM 0 H ASP A 3 -11.996 -5.872 33.684 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.136 -6.824 31.888 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.801 -4.097 33.172 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.247 -4.773 32.448 1.00 0.00 H new ATOM 41 N GLN A 4 -12.097 -4.286 31.341 1.00 0.00 N ATOM 42 CA GLN A 4 -11.362 -3.577 30.318 1.00 0.00 C ATOM 43 C GLN A 4 -10.203 -4.451 29.859 1.00 0.00 C ATOM 44 O GLN A 4 -9.487 -5.033 30.682 1.00 0.00 O ATOM 45 CB GLN A 4 -10.847 -2.235 30.859 1.00 0.00 C ATOM 46 CG GLN A 4 -9.983 -2.369 32.103 1.00 0.00 C ATOM 47 CD GLN A 4 -9.513 -1.037 32.649 1.00 0.00 C ATOM 48 OE1 GLN A 4 -8.454 -0.536 32.271 1.00 0.00 O ATOM 49 NE2 GLN A 4 -10.291 -0.460 33.544 1.00 0.00 N ATOM 0 H GLN A 4 -11.958 -3.926 32.285 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.017 -3.364 29.473 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.271 -1.736 30.080 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.699 -1.594 31.086 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.547 -2.892 32.875 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.115 -2.986 31.870 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.161 -0.910 33.829 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.023 0.436 33.951 1.00 0.00 H new ATOM 58 N GLU A 5 -10.018 -4.570 28.565 1.00 0.00 N ATOM 59 CA GLU A 5 -8.974 -5.425 28.048 1.00 0.00 C ATOM 60 C GLU A 5 -7.651 -4.694 27.949 1.00 0.00 C ATOM 61 O GLU A 5 -7.544 -3.625 27.340 1.00 0.00 O ATOM 62 CB GLU A 5 -9.353 -6.066 26.698 1.00 0.00 C ATOM 63 CG GLU A 5 -9.699 -5.085 25.575 1.00 0.00 C ATOM 64 CD GLU A 5 -11.029 -4.393 25.779 1.00 0.00 C ATOM 65 OE1 GLU A 5 -12.076 -5.016 25.512 1.00 0.00 O ATOM 66 OE2 GLU A 5 -11.033 -3.221 26.215 1.00 0.00 O ATOM 0 H GLU A 5 -10.572 -4.090 27.855 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.857 -6.236 28.767 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.524 -6.691 26.367 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.206 -6.726 26.856 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.913 -4.334 25.502 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.717 -5.621 24.626 1.00 0.00 H new ATOM 73 N ALA A 6 -6.642 -5.270 28.556 1.00 0.00 N ATOM 74 CA ALA A 6 -5.317 -4.696 28.553 1.00 0.00 C ATOM 75 C ALA A 6 -4.282 -5.767 28.274 1.00 0.00 C ATOM 76 O ALA A 6 -3.840 -6.471 29.179 1.00 0.00 O ATOM 77 CB ALA A 6 -5.029 -4.006 29.879 1.00 0.00 C ATOM 0 H ALA A 6 -6.715 -6.150 29.066 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.265 -3.948 27.762 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.026 -3.580 29.857 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.757 -3.212 30.041 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.097 -4.732 30.689 1.00 0.00 H new ATOM 83 N LYS A 7 -3.929 -5.921 27.015 1.00 0.00 N ATOM 84 CA LYS A 7 -2.936 -6.899 26.602 1.00 0.00 C ATOM 85 C LYS A 7 -2.483 -6.598 25.182 1.00 0.00 C ATOM 86 O LYS A 7 -3.225 -5.973 24.416 1.00 0.00 O ATOM 87 CB LYS A 7 -3.489 -8.348 26.691 1.00 0.00 C ATOM 88 CG LYS A 7 -4.629 -8.677 25.714 1.00 0.00 C ATOM 89 CD LYS A 7 -5.987 -8.190 26.212 1.00 0.00 C ATOM 90 CE LYS A 7 -6.432 -8.934 27.470 1.00 0.00 C ATOM 91 NZ LYS A 7 -6.518 -10.402 27.258 1.00 0.00 N ATOM 0 H LYS A 7 -4.320 -5.374 26.248 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.086 -6.828 27.281 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.669 -9.044 26.514 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.842 -8.523 27.707 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.416 -8.222 24.747 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.669 -9.755 25.557 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.935 -7.122 26.421 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.731 -8.326 25.427 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.731 -8.727 28.279 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.405 -8.558 27.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.042 -10.836 28.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.013 -10.595 26.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.560 -10.804 27.217 1.00 0.00 H new ATOM 105 N PRO A 8 -1.257 -7.016 24.812 1.00 0.00 N ATOM 106 CA PRO A 8 -0.726 -6.810 23.459 1.00 0.00 C ATOM 107 C PRO A 8 -1.490 -7.620 22.425 1.00 0.00 C ATOM 108 O PRO A 8 -2.430 -8.353 22.761 1.00 0.00 O ATOM 109 CB PRO A 8 0.714 -7.321 23.554 1.00 0.00 C ATOM 110 CG PRO A 8 0.708 -8.264 24.705 1.00 0.00 C ATOM 111 CD PRO A 8 -0.288 -7.712 25.681 1.00 0.00 C ATOM 0 HA PRO A 8 -0.805 -5.769 23.146 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.018 -7.821 22.634 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.414 -6.502 23.717 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.428 -9.268 24.386 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.698 -8.337 25.156 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.763 -8.502 26.263 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.179 -7.030 26.391 1.00 0.00 H new ATOM 119 N SER A 9 -1.084 -7.498 21.163 1.00 0.00 N ATOM 120 CA SER A 9 -1.718 -8.229 20.075 1.00 0.00 C ATOM 121 C SER A 9 -3.221 -7.930 20.017 1.00 0.00 C ATOM 122 O SER A 9 -4.042 -8.821 19.765 1.00 0.00 O ATOM 123 CB SER A 9 -1.474 -9.725 20.266 1.00 0.00 C ATOM 124 OG SER A 9 -0.092 -10.035 20.175 1.00 0.00 O ATOM 0 H SER A 9 -0.314 -6.896 20.871 1.00 0.00 H new ATOM 0 HA SER A 9 -1.282 -7.909 19.129 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.856 -10.037 21.238 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.026 -10.285 19.511 1.00 0.00 H new ATOM 0 HG SER A 9 0.036 -10.998 20.303 1.00 0.00 H new ATOM 130 N THR A 10 -3.581 -6.668 20.208 1.00 0.00 N ATOM 131 CA THR A 10 -4.968 -6.263 20.238 1.00 0.00 C ATOM 132 C THR A 10 -5.520 -6.133 18.818 1.00 0.00 C ATOM 133 O THR A 10 -4.804 -5.734 17.889 1.00 0.00 O ATOM 134 CB THR A 10 -5.112 -4.902 20.949 1.00 0.00 C ATOM 135 OG1 THR A 10 -4.145 -4.804 22.011 1.00 0.00 O ATOM 136 CG2 THR A 10 -6.512 -4.738 21.529 1.00 0.00 C ATOM 0 H THR A 10 -2.919 -5.904 20.345 1.00 0.00 H new ATOM 0 HA THR A 10 -5.528 -7.025 20.780 1.00 0.00 H new ATOM 0 HB THR A 10 -4.941 -4.114 20.216 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.286 -5.534 22.650 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.589 -3.771 22.025 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.247 -4.794 20.726 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.702 -5.532 22.251 1.00 0.00 H new ATOM 144 N GLU A 11 -6.779 -6.478 18.640 1.00 0.00 N ATOM 145 CA GLU A 11 -7.425 -6.358 17.351 1.00 0.00 C ATOM 146 C GLU A 11 -8.026 -4.971 17.203 1.00 0.00 C ATOM 147 O GLU A 11 -7.929 -4.139 18.108 1.00 0.00 O ATOM 148 CB GLU A 11 -8.517 -7.408 17.213 1.00 0.00 C ATOM 149 CG GLU A 11 -8.016 -8.831 17.312 1.00 0.00 C ATOM 150 CD GLU A 11 -9.142 -9.825 17.422 1.00 0.00 C ATOM 151 OE1 GLU A 11 -9.613 -10.067 18.553 1.00 0.00 O ATOM 152 OE2 GLU A 11 -9.570 -10.363 16.383 1.00 0.00 O ATOM 0 H GLU A 11 -7.378 -6.846 19.379 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.682 -6.514 16.569 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.266 -7.242 17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.016 -7.275 16.253 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.413 -9.064 16.434 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.364 -8.925 18.181 1.00 0.00 H new ATOM 159 N ASP A 12 -8.645 -4.711 16.071 1.00 0.00 N ATOM 160 CA ASP A 12 -9.286 -3.429 15.843 1.00 0.00 C ATOM 161 C ASP A 12 -10.582 -3.339 16.621 1.00 0.00 C ATOM 162 O ASP A 12 -11.498 -4.149 16.433 1.00 0.00 O ATOM 163 CB ASP A 12 -9.544 -3.195 14.354 1.00 0.00 C ATOM 164 CG ASP A 12 -10.433 -1.986 14.096 1.00 0.00 C ATOM 165 OD1 ASP A 12 -10.003 -0.847 14.369 1.00 0.00 O ATOM 166 OD2 ASP A 12 -11.570 -2.170 13.626 1.00 0.00 O ATOM 0 H ASP A 12 -8.719 -5.368 15.294 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.609 -2.650 16.195 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.592 -3.057 13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.011 -4.082 13.926 1.00 0.00 H new ATOM 171 N LEU A 13 -10.654 -2.383 17.518 1.00 0.00 N ATOM 172 CA LEU A 13 -11.847 -2.169 18.307 1.00 0.00 C ATOM 173 C LEU A 13 -12.760 -1.172 17.617 1.00 0.00 C ATOM 174 O LEU A 13 -13.964 -1.143 17.853 1.00 0.00 O ATOM 175 CB LEU A 13 -11.507 -1.695 19.736 1.00 0.00 C ATOM 176 CG LEU A 13 -10.639 -0.431 19.860 1.00 0.00 C ATOM 177 CD1 LEU A 13 -11.010 0.336 21.118 1.00 0.00 C ATOM 178 CD2 LEU A 13 -9.156 -0.795 19.902 1.00 0.00 C ATOM 0 H LEU A 13 -9.893 -1.735 17.721 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.366 -3.124 18.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.443 -1.518 20.267 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.997 -2.509 20.252 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.822 0.195 18.987 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.390 1.229 21.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.060 0.626 21.071 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.847 -0.296 21.991 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.561 0.114 19.990 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.964 -1.439 20.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.884 -1.320 18.986 1.00 0.00 H new ATOM 190 N GLY A 14 -12.174 -0.326 16.777 1.00 0.00 N ATOM 191 CA GLY A 14 -12.946 0.643 16.024 1.00 0.00 C ATOM 192 C GLY A 14 -13.160 1.926 16.794 1.00 0.00 C ATOM 193 O GLY A 14 -13.107 3.023 16.234 1.00 0.00 O ATOM 0 H GLY A 14 -11.169 -0.295 16.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.434 0.864 15.088 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.913 0.212 15.764 1.00 0.00 H new ATOM 197 N ASP A 15 -13.381 1.797 18.089 1.00 0.00 N ATOM 198 CA ASP A 15 -13.623 2.947 18.956 1.00 0.00 C ATOM 199 C ASP A 15 -12.344 3.690 19.293 1.00 0.00 C ATOM 200 O ASP A 15 -12.355 4.643 20.064 1.00 0.00 O ATOM 201 CB ASP A 15 -14.345 2.528 20.234 1.00 0.00 C ATOM 202 CG ASP A 15 -15.836 2.405 20.034 1.00 0.00 C ATOM 203 OD1 ASP A 15 -16.294 1.351 19.556 1.00 0.00 O ATOM 204 OD2 ASP A 15 -16.563 3.368 20.344 1.00 0.00 O ATOM 0 H ASP A 15 -13.399 0.899 18.573 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.264 3.631 18.399 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.947 1.573 20.578 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.145 3.258 21.018 1.00 0.00 H new ATOM 209 N LYS A 16 -11.227 3.264 18.721 1.00 0.00 N ATOM 210 CA LYS A 16 -9.968 3.951 18.950 1.00 0.00 C ATOM 211 C LYS A 16 -9.832 5.129 17.985 1.00 0.00 C ATOM 212 O LYS A 16 -8.886 5.917 18.044 1.00 0.00 O ATOM 213 CB LYS A 16 -8.775 2.981 18.837 1.00 0.00 C ATOM 214 CG LYS A 16 -7.421 3.608 19.173 1.00 0.00 C ATOM 215 CD LYS A 16 -7.462 4.351 20.505 1.00 0.00 C ATOM 216 CE LYS A 16 -6.148 5.053 20.794 1.00 0.00 C ATOM 217 NZ LYS A 16 -5.062 4.097 21.095 1.00 0.00 N ATOM 0 H LYS A 16 -11.168 2.455 18.102 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.963 4.342 19.967 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.946 2.135 19.502 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.738 2.586 17.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.659 2.830 19.213 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.132 4.297 18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.270 5.082 20.490 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.684 3.648 21.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.866 5.662 19.935 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.278 5.731 21.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.196 4.620 21.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.340 3.498 21.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.885 3.499 20.263 1.00 0.00 H new ATOM 231 N LYS A 17 -10.793 5.255 17.104 1.00 0.00 N ATOM 232 CA LYS A 17 -10.827 6.351 16.187 1.00 0.00 C ATOM 233 C LYS A 17 -11.611 7.498 16.797 1.00 0.00 C ATOM 234 O LYS A 17 -12.827 7.428 16.971 1.00 0.00 O ATOM 235 CB LYS A 17 -11.408 5.914 14.836 1.00 0.00 C ATOM 236 CG LYS A 17 -11.771 7.059 13.893 1.00 0.00 C ATOM 237 CD LYS A 17 -10.656 8.111 13.767 1.00 0.00 C ATOM 238 CE LYS A 17 -9.339 7.523 13.286 1.00 0.00 C ATOM 239 NZ LYS A 17 -8.325 8.587 13.047 1.00 0.00 N ATOM 0 H LYS A 17 -11.568 4.599 17.008 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.811 6.696 15.997 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.685 5.267 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.300 5.315 15.017 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.993 6.653 12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.680 7.542 14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.975 8.890 13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.503 8.588 14.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.961 6.818 14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.504 6.962 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.480 8.169 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.723 9.309 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.064 9.027 13.952 1.00 0.00 H new ATOM 253 N GLU A 18 -10.896 8.538 17.144 1.00 0.00 N ATOM 254 CA GLU A 18 -11.464 9.702 17.776 1.00 0.00 C ATOM 255 C GLU A 18 -12.136 10.619 16.756 1.00 0.00 C ATOM 256 O GLU A 18 -13.348 10.832 16.795 1.00 0.00 O ATOM 257 CB GLU A 18 -10.360 10.457 18.498 1.00 0.00 C ATOM 258 CG GLU A 18 -10.820 11.705 19.218 1.00 0.00 C ATOM 259 CD GLU A 18 -9.662 12.579 19.618 1.00 0.00 C ATOM 260 OE1 GLU A 18 -8.987 12.259 20.620 1.00 0.00 O ATOM 261 OE2 GLU A 18 -9.405 13.584 18.917 1.00 0.00 O ATOM 0 H GLU A 18 -9.889 8.601 16.993 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.227 9.378 18.484 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.892 9.788 19.220 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.593 10.732 17.775 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.495 12.268 18.574 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.387 11.424 20.106 1.00 0.00 H new ATOM 268 N GLY A 19 -11.348 11.156 15.836 1.00 0.00 N ATOM 269 CA GLY A 19 -11.884 12.095 14.878 1.00 0.00 C ATOM 270 C GLY A 19 -12.011 11.541 13.474 1.00 0.00 C ATOM 271 O GLY A 19 -12.676 10.526 13.243 1.00 0.00 O ATOM 0 H GLY A 19 -10.352 10.958 15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.866 12.424 15.218 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.244 12.977 14.853 1.00 0.00 H new ATOM 275 N GLU A 20 -11.363 12.210 12.534 1.00 0.00 N ATOM 276 CA GLU A 20 -11.440 11.869 11.116 1.00 0.00 C ATOM 277 C GLU A 20 -10.770 10.540 10.781 1.00 0.00 C ATOM 278 O GLU A 20 -9.771 10.142 11.397 1.00 0.00 O ATOM 279 CB GLU A 20 -10.826 12.989 10.276 1.00 0.00 C ATOM 280 CG GLU A 20 -9.410 13.360 10.690 1.00 0.00 C ATOM 281 CD GLU A 20 -8.822 14.452 9.833 1.00 0.00 C ATOM 282 OE1 GLU A 20 -9.188 15.632 10.026 1.00 0.00 O ATOM 283 OE2 GLU A 20 -7.995 14.145 8.961 1.00 0.00 O ATOM 0 H GLU A 20 -10.764 13.011 12.731 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.498 11.757 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.821 12.685 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.459 13.873 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.413 13.682 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.775 12.476 10.632 1.00 0.00 H new ATOM 290 N TYR A 21 -11.325 9.857 9.799 1.00 0.00 N ATOM 291 CA TYR A 21 -10.796 8.594 9.321 1.00 0.00 C ATOM 292 C TYR A 21 -10.924 8.532 7.805 1.00 0.00 C ATOM 293 O TYR A 21 -11.494 9.435 7.185 1.00 0.00 O ATOM 294 CB TYR A 21 -11.527 7.405 9.975 1.00 0.00 C ATOM 295 CG TYR A 21 -13.021 7.364 9.709 1.00 0.00 C ATOM 296 CD1 TYR A 21 -13.906 8.077 10.507 1.00 0.00 C ATOM 297 CD2 TYR A 21 -13.543 6.611 8.661 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.265 8.045 10.269 1.00 0.00 C ATOM 299 CE2 TYR A 21 -14.901 6.576 8.416 1.00 0.00 C ATOM 300 CZ TYR A 21 -15.757 7.294 9.224 1.00 0.00 C ATOM 301 OH TYR A 21 -17.113 7.269 8.981 1.00 0.00 O ATOM 0 H TYR A 21 -12.163 10.165 9.306 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.744 8.527 9.597 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.081 6.478 9.616 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.363 7.441 11.052 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.524 8.666 11.328 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.875 6.045 8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -15.940 8.606 10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.291 5.990 7.597 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.296 6.694 8.209 1.00 0.00 H new ATOM 311 N ILE A 22 -10.399 7.485 7.203 1.00 0.00 N ATOM 312 CA ILE A 22 -10.459 7.327 5.762 1.00 0.00 C ATOM 313 C ILE A 22 -10.454 5.849 5.375 1.00 0.00 C ATOM 314 O ILE A 22 -9.857 5.017 6.044 1.00 0.00 O ATOM 315 CB ILE A 22 -9.297 8.106 5.049 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.986 7.534 3.656 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.050 8.132 5.909 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.998 8.363 2.856 1.00 0.00 C ATOM 0 H ILE A 22 -9.923 6.726 7.691 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.399 7.761 5.420 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.641 9.131 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.590 6.525 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.915 7.451 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.262 8.678 5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.271 8.626 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.719 7.111 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.831 7.894 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.399 9.366 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.054 8.425 3.397 1.00 0.00 H new ATOM 330 N LYS A 23 -11.162 5.526 4.319 1.00 0.00 N ATOM 331 CA LYS A 23 -11.231 4.168 3.816 1.00 0.00 C ATOM 332 C LYS A 23 -10.446 4.068 2.512 1.00 0.00 C ATOM 333 O LYS A 23 -10.467 4.986 1.707 1.00 0.00 O ATOM 334 CB LYS A 23 -12.697 3.783 3.581 1.00 0.00 C ATOM 335 CG LYS A 23 -13.457 4.796 2.727 1.00 0.00 C ATOM 336 CD LYS A 23 -14.914 4.410 2.520 1.00 0.00 C ATOM 337 CE LYS A 23 -15.048 3.110 1.750 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.441 2.879 1.289 1.00 0.00 N ATOM 0 H LYS A 23 -11.709 6.197 3.780 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.797 3.484 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.736 2.807 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.198 3.681 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.408 5.776 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.968 4.888 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.405 4.311 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.428 5.206 1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.379 3.127 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.733 2.280 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.490 1.981 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.076 2.837 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.734 3.658 0.665 1.00 0.00 H new ATOM 352 N LEU A 24 -9.733 2.979 2.309 1.00 0.00 N ATOM 353 CA LEU A 24 -8.983 2.788 1.066 1.00 0.00 C ATOM 354 C LEU A 24 -9.118 1.368 0.551 1.00 0.00 C ATOM 355 O LEU A 24 -9.311 0.426 1.327 1.00 0.00 O ATOM 356 CB LEU A 24 -7.499 3.133 1.253 1.00 0.00 C ATOM 357 CG LEU A 24 -7.162 4.621 1.389 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.675 4.804 1.634 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.591 5.386 0.140 1.00 0.00 C ATOM 0 H LEU A 24 -9.652 2.213 2.978 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.410 3.467 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.137 2.617 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.945 2.732 0.404 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.709 5.021 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.450 5.866 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.392 4.290 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.114 4.387 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.343 6.441 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.070 4.985 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.667 5.280 -0.000 1.00 0.00 H new ATOM 371 N LYS A 25 -9.033 1.207 -0.760 1.00 0.00 N ATOM 372 CA LYS A 25 -9.099 -0.103 -1.360 1.00 0.00 C ATOM 373 C LYS A 25 -7.883 -0.358 -2.223 1.00 0.00 C ATOM 374 O LYS A 25 -7.496 0.468 -3.053 1.00 0.00 O ATOM 375 CB LYS A 25 -10.419 -0.291 -2.150 1.00 0.00 C ATOM 376 CG LYS A 25 -10.440 -1.467 -3.154 1.00 0.00 C ATOM 377 CD LYS A 25 -9.932 -1.045 -4.528 1.00 0.00 C ATOM 378 CE LYS A 25 -10.484 -1.917 -5.645 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.963 -1.862 -5.737 1.00 0.00 N ATOM 0 H LYS A 25 -8.918 1.972 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.096 -0.846 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.231 -0.433 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.630 0.630 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.824 -2.282 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.456 -1.851 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.209 -0.007 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.843 -1.091 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.053 -1.600 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.172 -2.949 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.256 -2.030 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.376 -2.593 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.295 -0.925 -5.432 1.00 0.00 H new ATOM 393 N VAL A 26 -7.269 -1.486 -2.011 1.00 0.00 N ATOM 394 CA VAL A 26 -6.134 -1.894 -2.794 1.00 0.00 C ATOM 395 C VAL A 26 -6.596 -2.897 -3.834 1.00 0.00 C ATOM 396 O VAL A 26 -7.352 -3.824 -3.523 1.00 0.00 O ATOM 397 CB VAL A 26 -5.018 -2.515 -1.912 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.873 -3.025 -2.767 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.507 -1.504 -0.899 1.00 0.00 C ATOM 0 H VAL A 26 -7.541 -2.152 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.710 -1.014 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.449 -3.359 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.104 -3.455 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.242 -3.788 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.449 -2.199 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.726 -1.961 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.101 -0.638 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.328 -1.187 -0.256 1.00 0.00 H new ATOM 409 N ILE A 27 -6.185 -2.703 -5.061 1.00 0.00 N ATOM 410 CA ILE A 27 -6.576 -3.577 -6.135 1.00 0.00 C ATOM 411 C ILE A 27 -5.349 -4.011 -6.927 1.00 0.00 C ATOM 412 O ILE A 27 -4.352 -3.306 -6.974 1.00 0.00 O ATOM 413 CB ILE A 27 -7.605 -2.884 -7.075 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.221 -3.894 -8.047 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.967 -1.721 -7.829 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.289 -3.315 -8.950 1.00 0.00 C ATOM 0 H ILE A 27 -5.572 -1.938 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.053 -4.457 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.405 -2.479 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.429 -4.316 -8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.651 -4.716 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.710 -1.257 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.597 -0.985 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.138 -2.090 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.673 -4.096 -9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.103 -2.919 -8.343 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.861 -2.513 -9.552 1.00 0.00 H new ATOM 428 N GLY A 28 -5.412 -5.184 -7.515 1.00 0.00 N ATOM 429 CA GLY A 28 -4.310 -5.664 -8.311 1.00 0.00 C ATOM 430 C GLY A 28 -4.763 -6.090 -9.677 1.00 0.00 C ATOM 431 O GLY A 28 -5.969 -6.164 -9.939 1.00 0.00 O ATOM 0 H GLY A 28 -6.209 -5.818 -7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.558 -4.880 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.834 -6.504 -7.806 1.00 0.00 H new ATOM 435 N GLN A 29 -3.814 -6.392 -10.566 1.00 0.00 N ATOM 436 CA GLN A 29 -4.154 -6.838 -11.923 1.00 0.00 C ATOM 437 C GLN A 29 -4.887 -8.177 -11.885 1.00 0.00 C ATOM 438 O GLN A 29 -5.481 -8.604 -12.864 1.00 0.00 O ATOM 439 CB GLN A 29 -2.903 -6.960 -12.817 1.00 0.00 C ATOM 440 CG GLN A 29 -2.060 -8.216 -12.573 1.00 0.00 C ATOM 441 CD GLN A 29 -1.135 -8.094 -11.385 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.002 -7.671 -11.520 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.605 -8.486 -10.219 1.00 0.00 N ATOM 0 H GLN A 29 -2.813 -6.337 -10.376 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.808 -6.079 -12.353 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.217 -6.947 -13.861 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.276 -6.082 -12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.724 -9.067 -12.422 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.469 -8.427 -13.464 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.561 -8.834 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.013 -8.442 -9.390 1.00 0.00 H new ATOM 452 N ASP A 30 -4.847 -8.838 -10.730 1.00 0.00 N ATOM 453 CA ASP A 30 -5.491 -10.131 -10.553 1.00 0.00 C ATOM 454 C ASP A 30 -6.983 -9.942 -10.270 1.00 0.00 C ATOM 455 O ASP A 30 -7.694 -10.885 -9.940 1.00 0.00 O ATOM 456 CB ASP A 30 -4.812 -10.886 -9.397 1.00 0.00 C ATOM 457 CG ASP A 30 -5.189 -12.355 -9.337 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.912 -13.080 -10.314 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.731 -12.799 -8.305 1.00 0.00 O ATOM 0 H ASP A 30 -4.370 -8.492 -9.897 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.389 -10.716 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.730 -10.799 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.081 -10.410 -8.454 1.00 0.00 H new ATOM 464 N SER A 31 -7.448 -8.686 -10.399 1.00 0.00 N ATOM 465 CA SER A 31 -8.844 -8.314 -10.158 1.00 0.00 C ATOM 466 C SER A 31 -9.175 -8.432 -8.670 1.00 0.00 C ATOM 467 O SER A 31 -10.337 -8.368 -8.260 1.00 0.00 O ATOM 468 CB SER A 31 -9.798 -9.172 -11.012 1.00 0.00 C ATOM 469 OG SER A 31 -11.113 -8.640 -11.016 1.00 0.00 O ATOM 0 H SER A 31 -6.859 -7.901 -10.675 1.00 0.00 H new ATOM 0 HA SER A 31 -8.982 -7.275 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.423 -9.227 -12.034 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.818 -10.191 -10.625 1.00 0.00 H new ATOM 0 HG SER A 31 -11.323 -8.279 -10.129 1.00 0.00 H new ATOM 475 N SER A 32 -8.142 -8.602 -7.864 1.00 0.00 N ATOM 476 CA SER A 32 -8.282 -8.714 -6.435 1.00 0.00 C ATOM 477 C SER A 32 -8.485 -7.338 -5.815 1.00 0.00 C ATOM 478 O SER A 32 -7.828 -6.372 -6.200 1.00 0.00 O ATOM 479 CB SER A 32 -7.033 -9.372 -5.859 1.00 0.00 C ATOM 480 OG SER A 32 -6.785 -10.617 -6.491 1.00 0.00 O ATOM 0 H SER A 32 -7.178 -8.666 -8.192 1.00 0.00 H new ATOM 0 HA SER A 32 -9.154 -9.326 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.175 -8.714 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.156 -9.521 -4.786 1.00 0.00 H new ATOM 0 HG SER A 32 -5.979 -11.023 -6.109 1.00 0.00 H new ATOM 486 N GLU A 33 -9.392 -7.247 -4.863 1.00 0.00 N ATOM 487 CA GLU A 33 -9.656 -5.988 -4.207 1.00 0.00 C ATOM 488 C GLU A 33 -9.851 -6.157 -2.717 1.00 0.00 C ATOM 489 O GLU A 33 -10.567 -7.049 -2.257 1.00 0.00 O ATOM 490 CB GLU A 33 -10.846 -5.255 -4.826 1.00 0.00 C ATOM 491 CG GLU A 33 -12.195 -5.914 -4.633 1.00 0.00 C ATOM 492 CD GLU A 33 -13.320 -4.966 -4.975 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.300 -3.815 -4.477 1.00 0.00 O ATOM 494 OE2 GLU A 33 -14.214 -5.342 -5.752 1.00 0.00 O ATOM 0 H GLU A 33 -9.956 -8.029 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.770 -5.372 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.889 -4.250 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.665 -5.145 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.262 -6.803 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.296 -6.245 -3.599 1.00 0.00 H new ATOM 501 N ILE A 34 -9.200 -5.308 -1.961 1.00 0.00 N ATOM 502 CA ILE A 34 -9.300 -5.334 -0.520 1.00 0.00 C ATOM 503 C ILE A 34 -9.621 -3.954 0.014 1.00 0.00 C ATOM 504 O ILE A 34 -8.976 -2.969 -0.338 1.00 0.00 O ATOM 505 CB ILE A 34 -8.000 -5.853 0.134 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.781 -5.128 -0.447 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.878 -7.360 -0.043 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.464 -5.554 0.154 1.00 0.00 C ATOM 0 H ILE A 34 -8.586 -4.579 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.107 -6.020 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.040 -5.642 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.749 -5.299 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.905 -4.055 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.956 -7.708 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.730 -7.852 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.860 -7.601 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.653 -4.994 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.472 -5.357 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.314 -6.620 -0.017 1.00 0.00 H new ATOM 520 N HIS A 35 -10.638 -3.873 0.834 1.00 0.00 N ATOM 521 CA HIS A 35 -11.047 -2.613 1.432 1.00 0.00 C ATOM 522 C HIS A 35 -10.634 -2.588 2.885 1.00 0.00 C ATOM 523 O HIS A 35 -10.972 -3.493 3.652 1.00 0.00 O ATOM 524 CB HIS A 35 -12.571 -2.422 1.326 1.00 0.00 C ATOM 525 CG HIS A 35 -13.100 -2.292 -0.074 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.031 -1.348 -0.439 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.845 -3.013 -1.192 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.325 -1.494 -1.715 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.618 -2.496 -2.193 1.00 0.00 N ATOM 0 H HIS A 35 -11.209 -4.672 1.110 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.560 -1.800 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.062 -3.268 1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.850 -1.531 1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.158 -3.842 -1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.027 -0.893 -2.274 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.643 -2.832 -3.156 1.00 0.00 H new ATOM 538 N PHE A 36 -9.893 -1.576 3.275 1.00 0.00 N ATOM 539 CA PHE A 36 -9.436 -1.462 4.645 1.00 0.00 C ATOM 540 C PHE A 36 -9.705 -0.086 5.211 1.00 0.00 C ATOM 541 O PHE A 36 -9.835 0.901 4.473 1.00 0.00 O ATOM 542 CB PHE A 36 -7.943 -1.784 4.758 1.00 0.00 C ATOM 543 CG PHE A 36 -7.624 -3.253 4.724 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.699 -4.014 5.880 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.241 -3.870 3.545 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.402 -5.363 5.859 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.942 -5.217 3.522 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.023 -5.964 4.679 1.00 0.00 C ATOM 0 H PHE A 36 -9.592 -0.817 2.663 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.000 -2.190 5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.414 -1.290 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.561 -1.362 5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.993 -3.547 6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.176 -3.292 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.467 -5.945 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.644 -5.687 2.597 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.790 -7.018 4.660 1.00 0.00 H new ATOM 558 N LYS A 37 -9.791 -0.023 6.518 1.00 0.00 N ATOM 559 CA LYS A 37 -10.007 1.217 7.223 1.00 0.00 C ATOM 560 C LYS A 37 -8.667 1.769 7.684 1.00 0.00 C ATOM 561 O LYS A 37 -7.857 1.052 8.279 1.00 0.00 O ATOM 562 CB LYS A 37 -10.913 0.972 8.422 1.00 0.00 C ATOM 563 CG LYS A 37 -11.191 2.207 9.263 1.00 0.00 C ATOM 564 CD LYS A 37 -11.911 1.836 10.548 1.00 0.00 C ATOM 565 CE LYS A 37 -11.025 0.991 11.454 1.00 0.00 C ATOM 566 NZ LYS A 37 -11.762 0.461 12.624 1.00 0.00 N ATOM 0 H LYS A 37 -9.712 -0.838 7.127 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.486 1.939 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.861 0.567 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.458 0.211 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.253 2.710 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.796 2.912 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.213 2.742 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.822 1.286 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.611 0.161 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.184 1.592 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.134 0.448 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.583 1.068 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.087 -0.506 12.421 1.00 0.00 H new ATOM 580 N VAL A 38 -8.425 3.032 7.415 1.00 0.00 N ATOM 581 CA VAL A 38 -7.158 3.656 7.744 1.00 0.00 C ATOM 582 C VAL A 38 -7.362 5.064 8.302 1.00 0.00 C ATOM 583 O VAL A 38 -8.486 5.579 8.359 1.00 0.00 O ATOM 584 CB VAL A 38 -6.212 3.724 6.501 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.755 2.333 6.085 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.896 4.422 5.330 1.00 0.00 C ATOM 0 H VAL A 38 -9.095 3.655 6.964 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.690 3.034 8.508 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.336 4.305 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.098 2.410 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.215 1.866 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.624 1.726 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.216 4.456 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.796 3.872 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.166 5.438 5.619 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.727 10.300 11.403 1.00 0.00 O HETATM 597 CH ALY A 39 -4.572 10.461 11.814 1.00 0.00 C HETATM 598 CH3 ALY A 39 -3.955 11.828 11.929 1.00 0.00 C HETATM 599 NZ ALY A 39 -3.807 9.438 12.157 1.00 0.00 N HETATM 600 CE ALY A 39 -4.288 8.301 12.937 1.00 0.00 C HETATM 601 CD ALY A 39 -3.888 6.966 12.316 1.00 0.00 C HETATM 602 CG ALY A 39 -4.321 6.866 10.853 1.00 0.00 C HETATM 603 CB ALY A 39 -5.811 7.147 10.676 1.00 0.00 C HETATM 604 CA ALY A 39 -6.333 7.038 9.223 1.00 0.00 C HETATM 605 N ALY A 39 -6.289 5.675 8.752 1.00 0.00 N HETATM 606 C ALY A 39 -5.526 7.908 8.257 1.00 0.00 C HETATM 607 O ALY A 39 -5.304 7.516 7.117 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.934 12.301 10.947 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -4.546 12.437 12.613 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -2.938 11.737 12.310 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.831 9.444 11.861 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.093 5.869 10.475 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.745 7.573 10.256 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -5.374 8.351 13.018 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -3.890 8.363 13.950 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.338 6.152 12.884 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.807 6.843 12.384 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.364 7.390 9.245 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -6.022 8.150 11.047 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.372 6.452 11.300 1.00 0.00 H new ATOM 622 N MET A 40 -5.042 9.045 8.699 1.00 0.00 N ATOM 623 CA MET A 40 -4.329 9.934 7.792 1.00 0.00 C ATOM 624 C MET A 40 -2.884 9.524 7.670 1.00 0.00 C ATOM 625 O MET A 40 -2.299 9.557 6.592 1.00 0.00 O ATOM 626 CB MET A 40 -4.401 11.387 8.253 1.00 0.00 C ATOM 627 CG MET A 40 -5.568 12.191 7.697 1.00 0.00 C ATOM 628 SD MET A 40 -5.370 12.673 5.952 1.00 0.00 S ATOM 629 CE MET A 40 -5.816 11.172 5.078 1.00 0.00 C ATOM 0 H MET A 40 -5.122 9.378 9.660 1.00 0.00 H new ATOM 0 HA MET A 40 -4.815 9.854 6.820 1.00 0.00 H new ATOM 0 HB2 MET A 40 -4.457 11.403 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.473 11.885 7.974 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.481 11.605 7.800 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.696 13.090 8.299 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.296 11.430 4.134 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.919 10.586 4.880 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.505 10.587 5.688 1.00 0.00 H new ATOM 639 N THR A 41 -2.317 9.080 8.765 1.00 0.00 N ATOM 640 CA THR A 41 -0.916 8.778 8.827 1.00 0.00 C ATOM 641 C THR A 41 -0.658 7.272 8.888 1.00 0.00 C ATOM 642 O THR A 41 0.396 6.828 9.343 1.00 0.00 O ATOM 643 CB THR A 41 -0.299 9.467 10.050 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.103 9.190 11.210 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.243 10.969 9.830 1.00 0.00 C ATOM 0 H THR A 41 -2.819 8.919 9.638 1.00 0.00 H new ATOM 0 HA THR A 41 -0.450 9.151 7.915 1.00 0.00 H new ATOM 0 HB THR A 41 0.712 9.088 10.199 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.127 8.223 11.368 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.197 11.449 10.704 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.366 11.186 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.252 11.352 9.675 1.00 0.00 H new ATOM 653 N THR A 42 -1.614 6.480 8.418 1.00 0.00 N ATOM 654 CA THR A 42 -1.451 5.039 8.400 1.00 0.00 C ATOM 655 C THR A 42 -0.412 4.638 7.373 1.00 0.00 C ATOM 656 O THR A 42 -0.509 5.006 6.197 1.00 0.00 O ATOM 657 CB THR A 42 -2.773 4.312 8.070 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.765 4.641 9.040 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.574 2.801 8.055 1.00 0.00 C ATOM 0 H THR A 42 -2.504 6.813 8.047 1.00 0.00 H new ATOM 0 HA THR A 42 -1.130 4.746 9.399 1.00 0.00 H new ATOM 0 HB THR A 42 -3.098 4.636 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.645 4.079 9.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.519 2.312 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.833 2.539 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.227 2.470 9.034 1.00 0.00 H new ATOM 667 N HIS A 43 0.595 3.905 7.809 1.00 0.00 N ATOM 668 CA HIS A 43 1.598 3.399 6.902 1.00 0.00 C ATOM 669 C HIS A 43 0.969 2.329 6.059 1.00 0.00 C ATOM 670 O HIS A 43 0.675 1.230 6.538 1.00 0.00 O ATOM 671 CB HIS A 43 2.811 2.836 7.658 1.00 0.00 C ATOM 672 CG HIS A 43 3.626 3.876 8.363 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.974 3.742 8.610 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.270 5.070 8.884 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.407 4.808 9.256 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.391 5.631 9.434 1.00 0.00 N ATOM 0 H HIS A 43 0.737 3.649 8.786 1.00 0.00 H new ATOM 0 HA HIS A 43 1.961 4.215 6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.464 2.105 8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.450 2.304 6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.281 5.503 8.869 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.422 4.978 9.584 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.434 6.535 9.904 1.00 0.00 H new ATOM 685 N LEU A 44 0.749 2.637 4.799 1.00 0.00 N ATOM 686 CA LEU A 44 0.072 1.720 3.894 1.00 0.00 C ATOM 687 C LEU A 44 0.857 0.447 3.705 1.00 0.00 C ATOM 688 O LEU A 44 0.320 -0.563 3.271 1.00 0.00 O ATOM 689 CB LEU A 44 -0.190 2.388 2.557 1.00 0.00 C ATOM 690 CG LEU A 44 -1.213 3.514 2.584 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.250 4.225 1.251 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.593 2.973 2.937 1.00 0.00 C ATOM 0 H LEU A 44 1.029 3.520 4.372 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.884 1.455 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.752 2.783 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.527 1.630 1.850 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.917 4.230 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.987 5.028 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.267 4.644 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.523 3.517 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.312 3.792 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.897 2.237 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.559 2.502 3.920 1.00 0.00 H new ATOM 704 N LYS A 45 2.127 0.488 4.038 1.00 0.00 N ATOM 705 CA LYS A 45 2.971 -0.660 3.951 1.00 0.00 C ATOM 706 C LYS A 45 2.424 -1.792 4.818 1.00 0.00 C ATOM 707 O LYS A 45 2.463 -2.954 4.424 1.00 0.00 O ATOM 708 CB LYS A 45 4.389 -0.266 4.361 1.00 0.00 C ATOM 709 CG LYS A 45 5.283 -1.412 4.805 1.00 0.00 C ATOM 710 CD LYS A 45 5.500 -2.431 3.707 1.00 0.00 C ATOM 711 CE LYS A 45 6.337 -3.577 4.219 1.00 0.00 C ATOM 712 NZ LYS A 45 6.636 -4.581 3.162 1.00 0.00 N ATOM 0 H LYS A 45 2.597 1.327 4.377 1.00 0.00 H new ATOM 0 HA LYS A 45 2.995 -1.027 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.865 0.238 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.326 0.458 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.247 -1.015 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.838 -1.903 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.539 -2.803 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.995 -1.961 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.272 -3.188 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.815 -4.065 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.213 -5.347 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.746 -4.974 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.158 -4.124 2.387 1.00 0.00 H new ATOM 726 N LYS A 46 1.869 -1.446 5.984 1.00 0.00 N ATOM 727 CA LYS A 46 1.305 -2.447 6.876 1.00 0.00 C ATOM 728 C LYS A 46 0.103 -3.112 6.213 1.00 0.00 C ATOM 729 O LYS A 46 -0.153 -4.301 6.397 1.00 0.00 O ATOM 730 CB LYS A 46 0.888 -1.822 8.215 1.00 0.00 C ATOM 731 CG LYS A 46 1.354 -2.612 9.441 1.00 0.00 C ATOM 732 CD LYS A 46 0.860 -4.058 9.425 1.00 0.00 C ATOM 733 CE LYS A 46 -0.626 -4.162 9.738 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.097 -5.572 9.708 1.00 0.00 N ATOM 0 H LYS A 46 1.801 -0.487 6.324 1.00 0.00 H new ATOM 0 HA LYS A 46 2.070 -3.197 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.289 -0.810 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.198 -1.736 8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.443 -2.604 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.997 -2.119 10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.055 -4.496 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.424 -4.641 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.822 -3.734 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.192 -3.574 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.960 -5.662 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.302 -5.849 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.358 -6.193 10.096 1.00 0.00 H new ATOM 748 N LEU A 47 -0.615 -2.351 5.410 1.00 0.00 N ATOM 749 CA LEU A 47 -1.774 -2.864 4.717 1.00 0.00 C ATOM 750 C LEU A 47 -1.309 -3.787 3.601 1.00 0.00 C ATOM 751 O LEU A 47 -1.784 -4.915 3.463 1.00 0.00 O ATOM 752 CB LEU A 47 -2.606 -1.689 4.145 1.00 0.00 C ATOM 753 CG LEU A 47 -4.013 -2.016 3.591 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.768 -0.734 3.291 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.938 -2.870 2.332 1.00 0.00 C ATOM 0 H LEU A 47 -0.412 -1.369 5.223 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.406 -3.425 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.719 -0.942 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.029 -1.225 3.345 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.542 -2.585 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.757 -0.977 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.871 -0.150 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.219 -0.153 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.946 -3.079 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.382 -2.335 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.432 -3.809 2.559 1.00 0.00 H new ATOM 767 N LYS A 48 -0.353 -3.312 2.815 1.00 0.00 N ATOM 768 CA LYS A 48 0.152 -4.074 1.689 1.00 0.00 C ATOM 769 C LYS A 48 0.826 -5.359 2.135 1.00 0.00 C ATOM 770 O LYS A 48 0.607 -6.403 1.538 1.00 0.00 O ATOM 771 CB LYS A 48 1.095 -3.243 0.817 1.00 0.00 C ATOM 772 CG LYS A 48 0.384 -2.308 -0.160 1.00 0.00 C ATOM 773 CD LYS A 48 -0.394 -1.232 0.559 1.00 0.00 C ATOM 774 CE LYS A 48 -1.001 -0.240 -0.397 1.00 0.00 C ATOM 775 NZ LYS A 48 0.020 0.371 -1.281 1.00 0.00 N ATOM 0 H LYS A 48 0.087 -2.400 2.939 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.712 -4.344 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.742 -2.650 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.739 -3.918 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.118 -1.846 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.292 -2.886 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.183 -1.692 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.265 -0.710 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.757 -0.737 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.509 0.543 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.195 1.380 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.960 0.272 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.013 -0.110 -2.203 1.00 0.00 H new ATOM 789 N GLU A 49 1.673 -5.300 3.170 1.00 0.00 N ATOM 790 CA GLU A 49 2.298 -6.514 3.689 1.00 0.00 C ATOM 791 C GLU A 49 1.243 -7.513 4.132 1.00 0.00 C ATOM 792 O GLU A 49 1.377 -8.706 3.891 1.00 0.00 O ATOM 793 CB GLU A 49 3.265 -6.218 4.843 1.00 0.00 C ATOM 794 CG GLU A 49 2.610 -5.593 6.054 1.00 0.00 C ATOM 795 CD GLU A 49 3.539 -5.488 7.235 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.270 -4.486 7.336 1.00 0.00 O ATOM 797 OE2 GLU A 49 3.540 -6.414 8.076 1.00 0.00 O ATOM 0 H GLU A 49 1.935 -4.441 3.654 1.00 0.00 H new ATOM 0 HA GLU A 49 2.880 -6.947 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.749 -7.147 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.049 -5.552 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.249 -4.598 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.739 -6.184 6.335 1.00 0.00 H new ATOM 804 N SER A 50 0.172 -7.024 4.764 1.00 0.00 N ATOM 805 CA SER A 50 -0.911 -7.898 5.181 1.00 0.00 C ATOM 806 C SER A 50 -1.510 -8.594 3.958 1.00 0.00 C ATOM 807 O SER A 50 -1.827 -9.776 3.993 1.00 0.00 O ATOM 808 CB SER A 50 -1.985 -7.112 5.938 1.00 0.00 C ATOM 809 OG SER A 50 -1.431 -6.442 7.062 1.00 0.00 O ATOM 0 H SER A 50 0.039 -6.039 4.993 1.00 0.00 H new ATOM 0 HA SER A 50 -0.513 -8.653 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.448 -6.386 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.773 -7.790 6.267 1.00 0.00 H new ATOM 0 HG SER A 50 -0.755 -5.800 6.760 1.00 0.00 H new ATOM 815 N TYR A 51 -1.635 -7.852 2.865 1.00 0.00 N ATOM 816 CA TYR A 51 -2.123 -8.394 1.607 1.00 0.00 C ATOM 817 C TYR A 51 -1.103 -9.350 1.008 1.00 0.00 C ATOM 818 O TYR A 51 -1.460 -10.375 0.433 1.00 0.00 O ATOM 819 CB TYR A 51 -2.435 -7.246 0.620 1.00 0.00 C ATOM 820 CG TYR A 51 -2.119 -7.558 -0.835 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.030 -8.222 -1.645 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.897 -7.194 -1.386 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.730 -8.517 -2.963 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.590 -7.487 -2.697 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.507 -8.147 -3.481 1.00 0.00 C ATOM 826 OH TYR A 51 -1.192 -8.447 -4.787 1.00 0.00 O ATOM 0 H TYR A 51 -1.401 -6.860 2.827 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.041 -8.950 1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.492 -6.991 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.870 -6.363 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.988 -8.513 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.175 -6.672 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.449 -9.034 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.367 -7.199 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.293 -8.115 -4.991 1.00 0.00 H new ATOM 836 N CYS A 52 0.169 -9.035 1.157 1.00 0.00 N ATOM 837 CA CYS A 52 1.220 -9.836 0.589 1.00 0.00 C ATOM 838 C CYS A 52 1.296 -11.181 1.301 1.00 0.00 C ATOM 839 O CYS A 52 1.377 -12.226 0.668 1.00 0.00 O ATOM 840 CB CYS A 52 2.550 -9.082 0.703 1.00 0.00 C ATOM 841 SG CYS A 52 3.872 -9.695 -0.358 1.00 0.00 S ATOM 0 H CYS A 52 0.496 -8.219 1.674 1.00 0.00 H new ATOM 0 HA CYS A 52 1.010 -10.023 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.375 -8.032 0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.887 -9.126 1.739 1.00 0.00 H new ATOM 0 HG CYS A 52 4.048 -10.965 -0.143 1.00 0.00 H new ATOM 847 N GLN A 53 1.240 -11.157 2.623 1.00 0.00 N ATOM 848 CA GLN A 53 1.297 -12.379 3.409 1.00 0.00 C ATOM 849 C GLN A 53 -0.018 -13.154 3.314 1.00 0.00 C ATOM 850 O GLN A 53 -0.028 -14.382 3.325 1.00 0.00 O ATOM 851 CB GLN A 53 1.669 -12.075 4.869 1.00 0.00 C ATOM 852 CG GLN A 53 0.693 -11.163 5.596 1.00 0.00 C ATOM 853 CD GLN A 53 1.239 -10.636 6.918 1.00 0.00 C ATOM 854 OE1 GLN A 53 0.493 -10.415 7.865 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.535 -10.394 6.976 1.00 0.00 N ATOM 0 H GLN A 53 1.155 -10.303 3.175 1.00 0.00 H new ATOM 0 HA GLN A 53 2.081 -13.013 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.742 -13.016 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.658 -11.617 4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.443 -10.320 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.233 -11.707 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.127 -10.590 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.945 -10.011 7.828 1.00 0.00 H new ATOM 864 N ARG A 54 -1.137 -12.431 3.214 1.00 0.00 N ATOM 865 CA ARG A 54 -2.446 -13.062 3.043 1.00 0.00 C ATOM 866 C ARG A 54 -2.496 -13.836 1.730 1.00 0.00 C ATOM 867 O ARG A 54 -3.011 -14.953 1.667 1.00 0.00 O ATOM 868 CB ARG A 54 -3.566 -12.004 3.076 1.00 0.00 C ATOM 869 CG ARG A 54 -4.956 -12.543 2.758 1.00 0.00 C ATOM 870 CD ARG A 54 -5.385 -13.598 3.756 1.00 0.00 C ATOM 871 NE ARG A 54 -6.647 -14.234 3.375 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.880 -15.549 3.445 1.00 0.00 C ATOM 873 NH1 ARG A 54 -5.935 -16.377 3.881 1.00 0.00 N ATOM 874 NH2 ARG A 54 -8.058 -16.033 3.082 1.00 0.00 N ATOM 0 H ARG A 54 -1.162 -11.412 3.248 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.600 -13.758 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.586 -11.545 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.324 -11.215 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.675 -11.723 2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.962 -12.967 1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.607 -14.357 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.491 -13.143 4.741 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.398 -13.635 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.026 -16.010 4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.119 -17.379 3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.788 -15.403 2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.236 -17.036 3.135 1.00 0.00 H new ATOM 888 N GLN A 55 -1.948 -13.240 0.687 1.00 0.00 N ATOM 889 CA GLN A 55 -1.922 -13.852 -0.642 1.00 0.00 C ATOM 890 C GLN A 55 -0.718 -14.785 -0.775 1.00 0.00 C ATOM 891 O GLN A 55 -0.571 -15.513 -1.761 1.00 0.00 O ATOM 892 CB GLN A 55 -1.881 -12.756 -1.715 1.00 0.00 C ATOM 893 CG GLN A 55 -3.249 -12.153 -2.070 1.00 0.00 C ATOM 894 CD GLN A 55 -4.190 -12.012 -0.888 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.945 -12.923 -0.568 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.153 -10.873 -0.237 1.00 0.00 N ATOM 0 H GLN A 55 -1.508 -12.321 0.730 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.826 -14.445 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.224 -11.956 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.435 -13.169 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.096 -11.171 -2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.724 -12.778 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.511 -10.137 -0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.766 -10.724 0.564 1.00 0.00 H new ATOM 905 N GLY A 56 0.134 -14.752 0.233 1.00 0.00 N ATOM 906 CA GLY A 56 1.316 -15.589 0.266 1.00 0.00 C ATOM 907 C GLY A 56 2.278 -15.274 -0.860 1.00 0.00 C ATOM 908 O GLY A 56 2.853 -16.177 -1.476 1.00 0.00 O ATOM 0 H GLY A 56 0.026 -14.147 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.824 -15.458 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.018 -16.636 0.204 1.00 0.00 H new ATOM 912 N VAL A 57 2.445 -13.995 -1.145 1.00 0.00 N ATOM 913 CA VAL A 57 3.351 -13.547 -2.191 1.00 0.00 C ATOM 914 C VAL A 57 4.574 -12.862 -1.602 1.00 0.00 C ATOM 915 O VAL A 57 4.577 -12.489 -0.430 1.00 0.00 O ATOM 916 CB VAL A 57 2.668 -12.578 -3.198 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.053 -13.347 -4.346 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.624 -11.716 -2.510 1.00 0.00 C ATOM 0 H VAL A 57 1.960 -13.240 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 57 3.653 -14.445 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 57 3.436 -11.917 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.581 -12.651 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.830 -13.906 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.304 -14.039 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.164 -11.049 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.858 -12.354 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.099 -11.125 -1.727 1.00 0.00 H new ATOM 928 N PRO A 58 5.637 -12.710 -2.402 1.00 0.00 N ATOM 929 CA PRO A 58 6.855 -12.040 -1.993 1.00 0.00 C ATOM 930 C PRO A 58 6.826 -10.542 -2.336 1.00 0.00 C ATOM 931 O PRO A 58 6.423 -10.146 -3.436 1.00 0.00 O ATOM 932 CB PRO A 58 7.936 -12.760 -2.821 1.00 0.00 C ATOM 933 CG PRO A 58 7.194 -13.576 -3.857 1.00 0.00 C ATOM 934 CD PRO A 58 5.750 -13.204 -3.763 1.00 0.00 C ATOM 0 HA PRO A 58 7.018 -12.086 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.606 -12.043 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.551 -13.400 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.580 -13.371 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.329 -14.642 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.479 -12.442 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.099 -14.060 -3.939 1.00 0.00 H new ATOM 942 N MET A 59 7.282 -9.708 -1.405 1.00 0.00 N ATOM 943 CA MET A 59 7.267 -8.252 -1.586 1.00 0.00 C ATOM 944 C MET A 59 8.254 -7.802 -2.666 1.00 0.00 C ATOM 945 O MET A 59 8.127 -6.721 -3.229 1.00 0.00 O ATOM 946 CB MET A 59 7.587 -7.544 -0.269 1.00 0.00 C ATOM 947 CG MET A 59 8.991 -7.810 0.235 1.00 0.00 C ATOM 948 SD MET A 59 9.439 -6.807 1.656 1.00 0.00 S ATOM 949 CE MET A 59 11.117 -7.379 1.908 1.00 0.00 C ATOM 0 H MET A 59 7.669 -10.014 -0.512 1.00 0.00 H new ATOM 0 HA MET A 59 6.263 -7.979 -1.910 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.454 -6.470 -0.401 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.871 -7.862 0.489 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.081 -8.863 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.700 -7.623 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.555 -6.858 2.759 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.110 -8.451 2.103 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.708 -7.177 1.015 1.00 0.00 H new ATOM 959 N ASN A 60 9.243 -8.629 -2.945 1.00 0.00 N ATOM 960 CA ASN A 60 10.256 -8.297 -3.943 1.00 0.00 C ATOM 961 C ASN A 60 9.795 -8.714 -5.322 1.00 0.00 C ATOM 962 O ASN A 60 10.424 -8.408 -6.336 1.00 0.00 O ATOM 963 CB ASN A 60 11.603 -8.948 -3.592 1.00 0.00 C ATOM 964 CG ASN A 60 11.545 -10.466 -3.551 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.771 -11.139 -4.553 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.252 -11.009 -2.387 1.00 0.00 N ATOM 0 H ASN A 60 9.372 -9.537 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 60 10.398 -7.216 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.349 -8.640 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.936 -8.578 -2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.206 -12.024 -2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.071 -10.415 -1.578 1.00 0.00 H new ATOM 973 N SER A 61 8.700 -9.425 -5.355 1.00 0.00 N ATOM 974 CA SER A 61 8.115 -9.871 -6.583 1.00 0.00 C ATOM 975 C SER A 61 6.937 -8.994 -6.986 1.00 0.00 C ATOM 976 O SER A 61 6.638 -8.831 -8.166 1.00 0.00 O ATOM 977 CB SER A 61 7.652 -11.292 -6.409 1.00 0.00 C ATOM 978 OG SER A 61 8.745 -12.162 -6.192 1.00 0.00 O ATOM 0 H SER A 61 8.187 -9.711 -4.521 1.00 0.00 H new ATOM 0 HA SER A 61 8.864 -9.808 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.963 -11.352 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.101 -11.609 -7.295 1.00 0.00 H new ATOM 0 HG SER A 61 8.577 -13.017 -6.641 1.00 0.00 H new ATOM 984 N LEU A 62 6.262 -8.432 -6.012 1.00 0.00 N ATOM 985 CA LEU A 62 5.110 -7.616 -6.289 1.00 0.00 C ATOM 986 C LEU A 62 5.376 -6.132 -5.939 1.00 0.00 C ATOM 987 O LEU A 62 6.274 -5.820 -5.161 1.00 0.00 O ATOM 988 CB LEU A 62 3.854 -8.237 -5.583 1.00 0.00 C ATOM 989 CG LEU A 62 3.373 -7.674 -4.231 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.488 -7.565 -3.223 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.651 -6.370 -4.415 1.00 0.00 C ATOM 0 H LEU A 62 6.492 -8.526 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 62 4.898 -7.611 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.020 -8.162 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.055 -9.299 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 62 2.662 -8.390 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.096 -7.163 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.914 -8.552 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.262 -6.901 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.323 -5.996 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.322 -5.645 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.784 -6.522 -5.058 1.00 0.00 H new ATOM 1003 N ARG A 63 4.628 -5.227 -6.554 1.00 0.00 N ATOM 1004 CA ARG A 63 4.808 -3.791 -6.309 1.00 0.00 C ATOM 1005 C ARG A 63 3.484 -3.062 -6.160 1.00 0.00 C ATOM 1006 O ARG A 63 2.511 -3.351 -6.860 1.00 0.00 O ATOM 1007 CB ARG A 63 5.672 -3.107 -7.396 1.00 0.00 C ATOM 1008 CG ARG A 63 5.072 -3.060 -8.803 1.00 0.00 C ATOM 1009 CD ARG A 63 5.018 -4.429 -9.454 1.00 0.00 C ATOM 1010 NE ARG A 63 6.287 -5.145 -9.336 1.00 0.00 N ATOM 1011 CZ ARG A 63 6.851 -5.849 -10.314 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.312 -5.868 -11.527 1.00 0.00 N ATOM 1013 NH2 ARG A 63 7.966 -6.520 -10.082 1.00 0.00 N ATOM 0 H ARG A 63 3.893 -5.453 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 63 5.344 -3.722 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.879 -2.085 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.630 -3.625 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.065 -2.645 -8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.663 -2.388 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.226 -5.018 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.761 -4.319 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 63 6.774 -5.102 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.459 -5.340 -11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.750 -6.410 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.392 -6.497 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.401 -7.061 -10.830 1.00 0.00 H new ATOM 1027 N PHE A 64 3.452 -2.121 -5.228 1.00 0.00 N ATOM 1028 CA PHE A 64 2.263 -1.328 -4.957 1.00 0.00 C ATOM 1029 C PHE A 64 2.482 0.120 -5.370 1.00 0.00 C ATOM 1030 O PHE A 64 3.357 0.803 -4.836 1.00 0.00 O ATOM 1031 CB PHE A 64 1.919 -1.379 -3.464 1.00 0.00 C ATOM 1032 CG PHE A 64 2.789 -2.311 -2.654 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.449 -3.646 -2.508 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.945 -1.851 -2.044 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.243 -4.505 -1.769 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.742 -2.704 -1.305 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.392 -4.032 -1.168 1.00 0.00 C ATOM 0 H PHE A 64 4.250 -1.886 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 64 1.438 -1.746 -5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.001 -0.374 -3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.879 -1.685 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.552 -4.021 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.226 -0.813 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.964 -5.543 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.640 -2.331 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.016 -4.699 -0.592 1.00 0.00 H new ATOM 1047 N LEU A 65 1.685 0.596 -6.302 1.00 0.00 N ATOM 1048 CA LEU A 65 1.815 1.957 -6.779 1.00 0.00 C ATOM 1049 C LEU A 65 0.468 2.656 -6.923 1.00 0.00 C ATOM 1050 O LEU A 65 -0.583 2.027 -6.999 1.00 0.00 O ATOM 1051 CB LEU A 65 2.615 1.997 -8.096 1.00 0.00 C ATOM 1052 CG LEU A 65 2.265 0.935 -9.150 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.893 1.183 -9.743 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.321 0.905 -10.238 1.00 0.00 C ATOM 0 H LEU A 65 0.939 0.060 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 65 2.370 2.513 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.480 2.980 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.673 1.900 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 65 2.243 -0.037 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.673 0.416 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.143 1.148 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.874 2.164 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.060 0.148 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.374 1.881 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.289 0.664 -9.799 1.00 0.00 H new ATOM 1066 N PHE A 66 0.513 3.962 -6.915 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.657 4.791 -7.102 1.00 0.00 C ATOM 1068 C PHE A 66 -0.271 5.985 -7.938 1.00 0.00 C ATOM 1069 O PHE A 66 0.671 6.685 -7.611 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.224 5.242 -5.755 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.353 6.222 -5.881 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.554 5.838 -6.442 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -2.210 7.525 -5.438 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.593 6.735 -6.563 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.247 8.427 -5.554 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.440 8.031 -6.117 1.00 0.00 C ATOM 0 H PHE A 66 1.374 4.491 -6.777 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.432 4.218 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.572 4.368 -5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.425 5.693 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.681 4.823 -6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.276 7.839 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.527 6.423 -7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.124 9.441 -5.204 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.254 8.734 -6.209 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.981 6.210 -9.031 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.668 7.292 -9.970 1.00 0.00 C ATOM 1088 C GLU A 67 0.781 7.192 -10.470 1.00 0.00 C ATOM 1089 O GLU A 67 1.386 8.178 -10.887 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.932 8.663 -9.340 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.383 8.877 -8.946 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.682 10.309 -8.573 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.304 10.738 -7.467 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.317 11.012 -9.387 1.00 0.00 O ATOM 0 H GLU A 67 -1.792 5.652 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.328 7.183 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.303 8.776 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.636 9.441 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.027 8.580 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.626 8.229 -8.104 1.00 0.00 H new ATOM 1101 N GLY A 68 1.323 5.985 -10.437 1.00 0.00 N ATOM 1102 CA GLY A 68 2.659 5.746 -10.932 1.00 0.00 C ATOM 1103 C GLY A 68 3.720 5.857 -9.858 1.00 0.00 C ATOM 1104 O GLY A 68 4.909 5.690 -10.130 1.00 0.00 O ATOM 0 H GLY A 68 0.853 5.157 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.703 4.751 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.879 6.460 -11.726 1.00 0.00 H new ATOM 1108 N GLN A 69 3.311 6.112 -8.625 1.00 0.00 N ATOM 1109 CA GLN A 69 4.267 6.273 -7.557 1.00 0.00 C ATOM 1110 C GLN A 69 4.226 5.072 -6.647 1.00 0.00 C ATOM 1111 O GLN A 69 3.153 4.599 -6.263 1.00 0.00 O ATOM 1112 CB GLN A 69 3.990 7.562 -6.771 1.00 0.00 C ATOM 1113 CG GLN A 69 2.800 7.485 -5.841 1.00 0.00 C ATOM 1114 CD GLN A 69 2.316 8.844 -5.396 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.101 9.774 -5.220 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.019 8.973 -5.242 1.00 0.00 N ATOM 0 H GLN A 69 2.334 6.210 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 69 5.265 6.352 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.875 7.814 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.831 8.377 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.986 6.961 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.067 6.895 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.405 8.174 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.625 9.872 -4.966 1.00 0.00 H new ATOM 1125 N ARG A 70 5.375 4.557 -6.322 1.00 0.00 N ATOM 1126 CA ARG A 70 5.460 3.414 -5.455 1.00 0.00 C ATOM 1127 C ARG A 70 5.127 3.797 -4.026 1.00 0.00 C ATOM 1128 O ARG A 70 5.566 4.838 -3.512 1.00 0.00 O ATOM 1129 CB ARG A 70 6.841 2.761 -5.546 1.00 0.00 C ATOM 1130 CG ARG A 70 7.992 3.673 -5.155 1.00 0.00 C ATOM 1131 CD ARG A 70 9.323 3.057 -5.527 1.00 0.00 C ATOM 1132 NE ARG A 70 9.432 2.832 -6.972 1.00 0.00 N ATOM 1133 CZ ARG A 70 10.354 2.061 -7.542 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.235 1.418 -6.791 1.00 0.00 N ATOM 1135 NH2 ARG A 70 10.385 1.918 -8.862 1.00 0.00 N ATOM 0 H ARG A 70 6.274 4.912 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 70 4.724 2.681 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.856 1.880 -4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.999 2.414 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.882 4.637 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.962 3.862 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.131 3.711 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.445 2.110 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 70 8.757 3.297 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.206 1.514 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.942 0.827 -7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.700 2.401 -9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.094 1.326 -9.294 1.00 0.00 H new ATOM 1149 N ILE A 71 4.322 2.992 -3.389 1.00 0.00 N ATOM 1150 CA ILE A 71 3.942 3.256 -2.032 1.00 0.00 C ATOM 1151 C ILE A 71 5.031 2.779 -1.087 1.00 0.00 C ATOM 1152 O ILE A 71 5.138 1.591 -0.790 1.00 0.00 O ATOM 1153 CB ILE A 71 2.604 2.576 -1.667 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.587 2.718 -2.818 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.044 3.175 -0.386 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.264 4.146 -3.202 1.00 0.00 C ATOM 0 H ILE A 71 3.917 2.146 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 71 3.809 4.333 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 71 2.789 1.514 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.975 2.199 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.663 2.215 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.101 2.688 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.754 3.024 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.875 4.243 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.542 4.149 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.842 4.667 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.175 4.652 -3.522 1.00 0.00 H new ATOM 1168 N ALA A 72 5.850 3.717 -0.639 1.00 0.00 N ATOM 1169 CA ALA A 72 6.950 3.437 0.267 1.00 0.00 C ATOM 1170 C ALA A 72 6.451 2.941 1.617 1.00 0.00 C ATOM 1171 O ALA A 72 5.253 3.005 1.920 1.00 0.00 O ATOM 1172 CB ALA A 72 7.791 4.686 0.447 1.00 0.00 C ATOM 0 H ALA A 72 5.769 4.701 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 72 7.558 2.645 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.616 4.474 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.188 5.000 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.174 5.483 0.862 1.00 0.00 H new ATOM 1178 N ASP A 73 7.380 2.493 2.449 1.00 0.00 N ATOM 1179 CA ASP A 73 7.053 1.953 3.768 1.00 0.00 C ATOM 1180 C ASP A 73 6.574 3.048 4.691 1.00 0.00 C ATOM 1181 O ASP A 73 5.879 2.804 5.677 1.00 0.00 O ATOM 1182 CB ASP A 73 8.259 1.239 4.388 1.00 0.00 C ATOM 1183 CG ASP A 73 9.398 2.182 4.720 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.253 2.420 3.835 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.451 2.677 5.863 1.00 0.00 O ATOM 0 H ASP A 73 8.377 2.492 2.234 1.00 0.00 H new ATOM 0 HA ASP A 73 6.251 1.226 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.943 0.726 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.616 0.475 3.698 1.00 0.00 H new ATOM 1190 N ASN A 74 6.917 4.260 4.348 1.00 0.00 N ATOM 1191 CA ASN A 74 6.576 5.417 5.142 1.00 0.00 C ATOM 1192 C ASN A 74 5.584 6.294 4.391 1.00 0.00 C ATOM 1193 O ASN A 74 5.371 7.457 4.734 1.00 0.00 O ATOM 1194 CB ASN A 74 7.844 6.219 5.473 1.00 0.00 C ATOM 1195 CG ASN A 74 8.555 6.748 4.232 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.472 6.163 3.149 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.264 7.843 4.379 1.00 0.00 N ATOM 0 H ASN A 74 7.445 4.478 3.503 1.00 0.00 H new ATOM 0 HA ASN A 74 6.116 5.083 6.072 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.579 7.057 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.530 5.587 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.768 8.235 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.311 8.302 5.289 1.00 0.00 H new ATOM 1204 N HIS A 75 4.968 5.744 3.351 1.00 0.00 N ATOM 1205 CA HIS A 75 3.990 6.499 2.598 1.00 0.00 C ATOM 1206 C HIS A 75 2.615 6.346 3.206 1.00 0.00 C ATOM 1207 O HIS A 75 2.211 5.249 3.609 1.00 0.00 O ATOM 1208 CB HIS A 75 3.972 6.094 1.125 1.00 0.00 C ATOM 1209 CG HIS A 75 4.785 6.997 0.248 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.961 6.786 -1.106 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.451 8.142 0.533 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.694 7.760 -1.605 1.00 0.00 C ATOM 1213 NE2 HIS A 75 6.002 8.589 -0.634 1.00 0.00 N ATOM 0 H HIS A 75 5.129 4.793 3.019 1.00 0.00 H new ATOM 0 HA HIS A 75 4.280 7.548 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.348 5.075 1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.941 6.087 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.531 8.613 1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.992 7.860 -2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.564 9.434 -0.736 1.00 0.00 H new ATOM 1222 N THR A 76 1.891 7.439 3.264 1.00 0.00 N ATOM 1223 CA THR A 76 0.580 7.466 3.866 1.00 0.00 C ATOM 1224 C THR A 76 -0.396 8.181 2.946 1.00 0.00 C ATOM 1225 O THR A 76 0.029 8.878 2.011 1.00 0.00 O ATOM 1226 CB THR A 76 0.642 8.237 5.199 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.061 9.579 4.948 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.634 7.603 6.132 1.00 0.00 C ATOM 0 H THR A 76 2.197 8.339 2.893 1.00 0.00 H new ATOM 0 HA THR A 76 0.250 6.441 4.036 1.00 0.00 H new ATOM 0 HB THR A 76 -0.348 8.218 5.654 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.478 9.948 5.755 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.663 8.162 7.067 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.337 6.574 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.623 7.612 5.673 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.713 8.019 3.171 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.722 8.732 2.402 1.00 0.00 C ATOM 1238 C PRO A 77 -2.556 10.246 2.523 1.00 0.00 C ATOM 1239 O PRO A 77 -2.808 10.986 1.572 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.058 8.281 3.016 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.701 7.646 4.319 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.315 7.106 4.158 1.00 0.00 C ATOM 0 HA PRO A 77 -2.651 8.512 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.729 9.128 3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.572 7.576 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.743 8.373 5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.402 6.849 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.767 7.114 5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.323 6.076 3.802 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.095 10.710 3.691 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.881 12.133 3.907 1.00 0.00 C ATOM 1252 C LYS A 78 -0.618 12.598 3.185 1.00 0.00 C ATOM 1253 O LYS A 78 -0.528 13.742 2.746 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.784 12.463 5.409 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.528 11.927 6.091 1.00 0.00 C ATOM 1256 CD LYS A 78 0.199 13.006 6.872 1.00 0.00 C ATOM 1257 CE LYS A 78 0.980 13.936 5.956 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.674 15.003 6.715 1.00 0.00 N ATOM 0 H LYS A 78 -1.867 10.120 4.491 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.740 12.664 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.817 13.545 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.660 12.057 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.800 11.113 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.142 11.509 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.522 13.585 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.880 12.542 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.711 13.359 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.301 14.388 5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.195 15.616 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.974 15.570 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.341 14.573 7.388 1.00 0.00 H new ATOM 1272 N GLU A 79 0.360 11.697 3.055 1.00 0.00 N ATOM 1273 CA GLU A 79 1.623 12.034 2.418 1.00 0.00 C ATOM 1274 C GLU A 79 1.441 12.125 0.920 1.00 0.00 C ATOM 1275 O GLU A 79 1.905 13.055 0.270 1.00 0.00 O ATOM 1276 CB GLU A 79 2.680 10.974 2.729 1.00 0.00 C ATOM 1277 CG GLU A 79 4.088 11.530 2.821 1.00 0.00 C ATOM 1278 CD GLU A 79 4.228 12.527 3.952 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.992 13.728 3.725 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.559 12.108 5.076 1.00 0.00 O ATOM 0 H GLU A 79 0.296 10.733 3.383 1.00 0.00 H new ATOM 0 HA GLU A 79 1.954 12.997 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.428 10.487 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.651 10.206 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.793 10.712 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.351 12.011 1.879 1.00 0.00 H new ATOM 1287 N LEU A 80 0.750 11.144 0.378 1.00 0.00 N ATOM 1288 CA LEU A 80 0.511 11.050 -1.048 1.00 0.00 C ATOM 1289 C LEU A 80 -0.609 11.983 -1.496 1.00 0.00 C ATOM 1290 O LEU A 80 -0.794 12.218 -2.689 1.00 0.00 O ATOM 1291 CB LEU A 80 0.164 9.609 -1.390 1.00 0.00 C ATOM 1292 CG LEU A 80 1.245 8.587 -1.047 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.695 7.182 -1.114 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.425 8.740 -1.981 1.00 0.00 C ATOM 0 H LEU A 80 0.335 10.384 0.918 1.00 0.00 H new ATOM 0 HA LEU A 80 1.414 11.357 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.752 9.337 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.049 9.546 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 80 1.581 8.771 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.483 6.471 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.125 7.078 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.330 6.982 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.189 8.005 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.098 8.582 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.839 9.743 -1.882 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.355 12.519 -0.542 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.442 13.424 -0.872 1.00 0.00 C ATOM 1308 C GLY A 81 -3.583 12.720 -1.580 1.00 0.00 C ATOM 1309 O GLY A 81 -4.263 13.303 -2.425 1.00 0.00 O ATOM 0 H GLY A 81 -1.229 12.345 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.815 13.888 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.064 14.226 -1.506 1.00 0.00 H new ATOM 1313 N MET A 82 -3.799 11.461 -1.242 1.00 0.00 N ATOM 1314 CA MET A 82 -4.860 10.676 -1.852 1.00 0.00 C ATOM 1315 C MET A 82 -6.207 11.030 -1.250 1.00 0.00 C ATOM 1316 O MET A 82 -6.283 11.695 -0.215 1.00 0.00 O ATOM 1317 CB MET A 82 -4.595 9.180 -1.673 1.00 0.00 C ATOM 1318 CG MET A 82 -3.286 8.718 -2.277 1.00 0.00 C ATOM 1319 SD MET A 82 -3.068 6.930 -2.201 1.00 0.00 S ATOM 1320 CE MET A 82 -2.999 6.672 -0.443 1.00 0.00 C ATOM 0 H MET A 82 -3.251 10.957 -0.545 1.00 0.00 H new ATOM 0 HA MET A 82 -4.877 10.909 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.597 8.944 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.412 8.618 -2.126 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.238 9.041 -3.317 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.460 9.202 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.045 5.604 -0.230 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.067 7.080 -0.052 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.843 7.173 0.032 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.267 10.585 -1.887 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.606 10.842 -1.404 1.00 0.00 C ATOM 1332 C GLU A 83 -9.168 9.612 -0.745 1.00 0.00 C ATOM 1333 O GLU A 83 -8.592 8.525 -0.834 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.517 11.301 -2.536 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.247 12.720 -2.993 1.00 0.00 C ATOM 1336 CD GLU A 83 -9.609 13.745 -1.940 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -8.945 13.787 -0.879 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.568 14.515 -2.160 1.00 0.00 O ATOM 0 H GLU A 83 -7.227 10.039 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.553 11.643 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.398 10.626 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.554 11.224 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.192 12.822 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.815 12.920 -3.901 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.282 9.766 -0.075 1.00 0.00 N ATOM 1346 CA GLU A 84 -10.894 8.648 0.589 1.00 0.00 C ATOM 1347 C GLU A 84 -11.651 7.779 -0.395 1.00 0.00 C ATOM 1348 O GLU A 84 -12.173 8.264 -1.401 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.778 9.100 1.767 1.00 0.00 C ATOM 1350 CG GLU A 84 -12.843 10.138 1.431 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.073 9.550 0.778 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.605 8.546 1.299 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.526 10.105 -0.242 1.00 0.00 O ATOM 0 H GLU A 84 -10.780 10.651 0.024 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.099 8.036 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.271 8.223 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.134 9.506 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.138 10.653 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.412 10.887 0.767 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.645 6.481 -0.127 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.325 5.486 -0.948 1.00 0.00 C ATOM 1362 C GLU A 85 -11.615 5.323 -2.302 1.00 0.00 C ATOM 1363 O GLU A 85 -12.142 4.714 -3.240 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.807 5.862 -1.121 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.690 4.731 -1.604 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.149 5.096 -1.567 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.786 4.902 -0.507 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.668 5.582 -2.589 1.00 0.00 O ATOM 0 H GLU A 85 -11.161 6.083 0.678 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.284 4.521 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.191 6.223 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.879 6.689 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.410 4.463 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.521 3.850 -0.984 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.407 5.875 -2.397 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.600 5.762 -3.610 1.00 0.00 C ATOM 1377 C ASP A 86 -9.082 4.326 -3.779 1.00 0.00 C ATOM 1378 O ASP A 86 -9.312 3.449 -2.915 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.425 6.759 -3.583 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.050 7.270 -4.972 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.873 6.445 -5.897 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.950 8.506 -5.150 1.00 0.00 O ATOM 0 H ASP A 86 -9.965 6.406 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.233 6.006 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.687 7.605 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.557 6.279 -3.131 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.361 4.080 -4.859 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.891 2.748 -5.167 1.00 0.00 C ATOM 1389 C VAL A 87 -6.392 2.737 -5.477 1.00 0.00 C ATOM 1390 O VAL A 87 -5.884 3.555 -6.251 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.687 2.100 -6.350 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.188 2.169 -6.099 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.343 2.752 -7.685 1.00 0.00 C ATOM 0 H VAL A 87 -8.089 4.791 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.066 2.148 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.390 1.053 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.718 1.712 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.428 1.633 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.493 3.211 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.915 2.275 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.590 3.813 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.278 2.634 -7.884 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.683 1.829 -4.845 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.258 1.662 -5.077 1.00 0.00 C ATOM 1405 C ILE A 88 -4.050 0.490 -6.020 1.00 0.00 C ATOM 1406 O ILE A 88 -4.732 -0.521 -5.907 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.471 1.423 -3.739 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.253 2.743 -2.976 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -2.132 0.735 -3.992 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.523 3.402 -2.480 1.00 0.00 C ATOM 0 H ILE A 88 -6.073 1.185 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.870 2.579 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.082 0.764 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.602 2.551 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.727 3.441 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.615 0.586 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.303 -0.230 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.520 1.358 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.273 4.324 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.169 3.630 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.042 2.726 -1.800 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.103 0.609 -6.932 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.862 -0.428 -7.916 1.00 0.00 C ATOM 1424 C GLU A 89 -1.682 -1.291 -7.484 1.00 0.00 C ATOM 1425 O GLU A 89 -0.678 -0.788 -6.958 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.593 0.196 -9.285 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.373 -0.815 -10.394 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.601 -1.646 -10.679 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.478 -1.174 -11.429 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.696 -2.775 -10.171 1.00 0.00 O ATOM 0 H GLU A 89 -2.486 1.417 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.748 -1.058 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.434 0.835 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.715 0.838 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.075 -0.292 -11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.549 -1.474 -10.121 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.794 -2.581 -7.684 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.763 -3.502 -7.278 1.00 0.00 C ATOM 1439 C VAL A 90 -0.504 -4.564 -8.346 1.00 0.00 C ATOM 1440 O VAL A 90 -1.426 -5.216 -8.845 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.131 -4.191 -5.932 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.244 -5.383 -5.679 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.018 -3.210 -4.781 1.00 0.00 C ATOM 0 H VAL A 90 -2.599 -3.020 -8.131 1.00 0.00 H new ATOM 0 HA VAL A 90 0.149 -2.921 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.163 -4.534 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.520 -5.848 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.365 -6.105 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.796 -5.060 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.279 -3.711 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.005 -2.838 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.698 -2.375 -4.947 1.00 0.00 H new ATOM 1453 N TYR A 91 0.751 -4.740 -8.698 1.00 0.00 N ATOM 1454 CA TYR A 91 1.128 -5.744 -9.659 1.00 0.00 C ATOM 1455 C TYR A 91 1.967 -6.799 -8.984 1.00 0.00 C ATOM 1456 O TYR A 91 2.729 -6.499 -8.069 1.00 0.00 O ATOM 1457 CB TYR A 91 1.879 -5.133 -10.830 1.00 0.00 C ATOM 1458 CG TYR A 91 1.089 -4.096 -11.580 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.077 -4.467 -12.457 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.350 -2.747 -11.414 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.651 -3.521 -13.146 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.628 -1.795 -12.099 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.373 -2.187 -12.965 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.097 -1.235 -13.652 1.00 0.00 O ATOM 0 H TYR A 91 1.530 -4.195 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 91 0.222 -6.203 -10.055 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.800 -4.680 -10.463 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.167 -5.927 -11.520 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.143 -5.515 -12.601 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.132 -2.436 -10.737 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.435 -3.826 -13.824 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.844 -0.746 -11.959 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.775 -0.342 -13.410 1.00 0.00 H new ATOM 1474 N GLN A 92 1.844 -8.029 -9.420 1.00 0.00 N ATOM 1475 CA GLN A 92 2.547 -9.117 -8.780 1.00 0.00 C ATOM 1476 C GLN A 92 3.241 -10.031 -9.785 1.00 0.00 C ATOM 1477 O GLN A 92 2.629 -10.521 -10.734 1.00 0.00 O ATOM 1478 CB GLN A 92 1.580 -9.930 -7.904 1.00 0.00 C ATOM 1479 CG GLN A 92 0.457 -10.601 -8.688 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.527 -11.353 -7.816 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.090 -12.365 -8.234 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.767 -10.858 -6.617 1.00 0.00 N ATOM 0 H GLN A 92 1.265 -8.303 -10.214 1.00 0.00 H new ATOM 0 HA GLN A 92 3.323 -8.676 -8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.144 -10.694 -7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.143 -9.271 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.081 -9.843 -9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.892 -11.292 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.281 -10.017 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.439 -11.316 -6.001 1.00 0.00 H new ATOM 1491 N GLU A 93 4.527 -10.218 -9.598 1.00 0.00 N ATOM 1492 CA GLU A 93 5.279 -11.171 -10.373 1.00 0.00 C ATOM 1493 C GLU A 93 5.590 -12.371 -9.496 1.00 0.00 C ATOM 1494 O GLU A 93 5.289 -12.364 -8.299 1.00 0.00 O ATOM 1495 CB GLU A 93 6.572 -10.553 -10.907 1.00 0.00 C ATOM 1496 CG GLU A 93 6.352 -9.418 -11.890 1.00 0.00 C ATOM 1497 CD GLU A 93 7.624 -9.011 -12.597 1.00 0.00 C ATOM 1498 OE1 GLU A 93 8.417 -8.245 -12.019 1.00 0.00 O ATOM 1499 OE2 GLU A 93 7.833 -9.453 -13.746 1.00 0.00 O ATOM 0 H GLU A 93 5.079 -9.713 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 93 4.686 -11.480 -11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.160 -10.184 -10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.162 -11.331 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.610 -9.720 -12.629 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.943 -8.557 -11.361 1.00 0.00 H new ATOM 1506 N GLN A 94 6.189 -13.397 -10.057 1.00 0.00 N ATOM 1507 CA GLN A 94 6.518 -14.584 -9.285 1.00 0.00 C ATOM 1508 C GLN A 94 8.026 -14.728 -9.161 1.00 0.00 C ATOM 1509 O GLN A 94 8.530 -15.658 -8.528 1.00 0.00 O ATOM 1510 CB GLN A 94 5.925 -15.835 -9.947 1.00 0.00 C ATOM 1511 CG GLN A 94 6.453 -16.093 -11.350 1.00 0.00 C ATOM 1512 CD GLN A 94 5.847 -17.320 -11.995 1.00 0.00 C ATOM 1513 OE1 GLN A 94 4.814 -17.241 -12.668 1.00 0.00 O ATOM 1514 NE2 GLN A 94 6.480 -18.459 -11.804 1.00 0.00 N ATOM 0 H GLN A 94 6.459 -13.438 -11.040 1.00 0.00 H new ATOM 0 HA GLN A 94 6.089 -14.478 -8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.140 -16.702 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.841 -15.733 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.249 -15.223 -11.974 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.536 -16.209 -11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.330 -18.482 -11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.120 -19.318 -12.219 1.00 0.00 H new ATOM 1523 N THR A 95 8.747 -13.789 -9.746 1.00 0.00 N ATOM 1524 CA THR A 95 10.192 -13.828 -9.775 1.00 0.00 C ATOM 1525 C THR A 95 10.823 -13.308 -8.486 1.00 0.00 C ATOM 1526 O THR A 95 11.266 -12.155 -8.404 1.00 0.00 O ATOM 1527 CB THR A 95 10.730 -13.039 -10.973 1.00 0.00 C ATOM 1528 OG1 THR A 95 9.881 -11.903 -11.215 1.00 0.00 O ATOM 1529 CG2 THR A 95 10.779 -13.915 -12.211 1.00 0.00 C ATOM 0 H THR A 95 8.343 -12.978 -10.214 1.00 0.00 H new ATOM 0 HA THR A 95 10.471 -14.877 -9.873 1.00 0.00 H new ATOM 0 HB THR A 95 11.742 -12.702 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.224 -11.395 -11.980 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.164 -13.337 -13.051 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.433 -14.768 -12.028 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.776 -14.271 -12.445 1.00 0.00 H new ATOM 1537 N GLY A 96 10.792 -14.127 -7.455 1.00 0.00 N ATOM 1538 CA GLY A 96 11.455 -13.781 -6.230 1.00 0.00 C ATOM 1539 C GLY A 96 11.004 -14.626 -5.070 1.00 0.00 C ATOM 1540 O GLY A 96 10.329 -15.646 -5.247 1.00 0.00 O ATOM 0 H GLY A 96 10.316 -15.029 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.531 -13.893 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.269 -12.731 -6.004 1.00 0.00 H new ATOM 1544 N GLY A 97 11.369 -14.209 -3.881 1.00 0.00 N ATOM 1545 CA GLY A 97 11.011 -14.931 -2.690 1.00 0.00 C ATOM 1546 C GLY A 97 11.533 -14.237 -1.462 1.00 0.00 C ATOM 1547 O GLY A 97 12.684 -14.513 -1.060 1.00 0.00 O ATOM 1548 OXT GLY A 97 10.818 -13.382 -0.916 1.00 0.00 O ATOM 0 H GLY A 97 11.918 -13.366 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.927 -15.022 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.413 -15.943 -2.739 1.00 0.00 H new TER 1552 GLY A 97