USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.0146 USER MOD Single : A 3 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.47) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00773 USER MOD Single : A 10 ASN : amide:sc= -0.648 K(o=-0.65,f=-0.099) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc=-0.00058 (180deg=-0.435) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.67! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.37 K(o=-2.4,f=-10!) USER MOD Single : A 24 THR OG1 : rot -14:sc= -0.888 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.7!) USER MOD Single : A 34 GLN : amide:sc= -10.8! C(o=-11!,f=-9.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 22:sc= 0.5 USER MOD Single : A 44 HIS : no HD1:sc= -1.46! C(o=-1.5!,f=-2.7!) USER MOD Single : A 46 THR OG1 : rot 50:sc= -6.46! USER MOD Single : A 47 SER OG : rot 180:sc= -0.545 USER MOD Single : A 52 THR OG1 : rot -173:sc= -2.48 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -5.49! C(o=-5.5!,f=-9.1!) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.0711 (180deg=-0.711) USER MOD Single : A 61 GLN : amide:sc= -0.59 K(o=-0.59,f=-0.049) USER MOD Single : A 62 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.2!) USER MOD Single : A 63 HIS : no HE2:sc= -0.425 K(o=-0.42,f=-1.8) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 0.00396 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -12:sc= -2.39! USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= -2.73! (180deg=-4.65!) USER MOD Single : A 71 GLN : amide:sc=-0.00832 X(o=-0.0083,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.208 K(o=-0.21,f=-0.98) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.481 26.142 1.998 1.00 0.00 N ATOM 2 CA GLY A 1 -2.628 26.499 0.519 1.00 0.00 C ATOM 3 C GLY A 1 -3.956 26.934 0.001 1.00 0.00 C ATOM 4 O GLY A 1 -4.967 26.788 0.658 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.498 25.861 2.191 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.726 26.968 2.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.118 25.353 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.915 27.295 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.320 25.628 -0.060 1.00 0.00 H new ATOM 10 N SER A 2 -3.993 27.479 -1.185 1.00 0.00 N ATOM 11 CA SER A 2 -5.293 27.934 -1.756 1.00 0.00 C ATOM 12 C SER A 2 -5.291 27.719 -3.271 1.00 0.00 C ATOM 13 O SER A 2 -4.256 27.727 -3.908 1.00 0.00 O ATOM 14 CB SER A 2 -5.489 29.421 -1.452 1.00 0.00 C ATOM 15 OG SER A 2 -6.269 29.560 -0.272 1.00 0.00 O ATOM 0 H SER A 2 -3.180 27.629 -1.783 1.00 0.00 H new ATOM 0 HA SER A 2 -6.106 27.360 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.522 29.908 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.984 29.913 -2.289 1.00 0.00 H new ATOM 0 HG SER A 2 -6.071 28.820 0.340 1.00 0.00 H new ATOM 21 N HIS A 3 -6.444 27.526 -3.854 1.00 0.00 N ATOM 22 CA HIS A 3 -6.509 27.310 -5.328 1.00 0.00 C ATOM 23 C HIS A 3 -5.532 26.202 -5.725 1.00 0.00 C ATOM 24 O HIS A 3 -4.331 26.371 -5.675 1.00 0.00 O ATOM 25 CB HIS A 3 -6.131 28.605 -6.051 1.00 0.00 C ATOM 26 CG HIS A 3 -7.368 29.238 -6.625 1.00 0.00 C ATOM 27 ND1 HIS A 3 -8.254 28.535 -7.426 1.00 0.00 N ATOM 28 CD2 HIS A 3 -7.880 30.508 -6.524 1.00 0.00 C ATOM 29 CE1 HIS A 3 -9.244 29.380 -7.773 1.00 0.00 C ATOM 30 NE2 HIS A 3 -9.065 30.595 -7.250 1.00 0.00 N ATOM 0 H HIS A 3 -7.343 27.509 -3.373 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.522 27.019 -5.608 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.646 29.293 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.415 28.395 -6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.432 31.317 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.081 29.107 -8.399 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.667 31.411 -7.359 1.00 0.00 H new ATOM 38 N MET A 4 -6.041 25.066 -6.122 1.00 0.00 N ATOM 39 CA MET A 4 -5.143 23.948 -6.527 1.00 0.00 C ATOM 40 C MET A 4 -4.835 24.062 -8.020 1.00 0.00 C ATOM 41 O MET A 4 -5.687 24.411 -8.815 1.00 0.00 O ATOM 42 CB MET A 4 -5.836 22.612 -6.248 1.00 0.00 C ATOM 43 CG MET A 4 -6.155 22.504 -4.755 1.00 0.00 C ATOM 44 SD MET A 4 -7.363 23.772 -4.302 1.00 0.00 S ATOM 45 CE MET A 4 -6.898 23.918 -2.559 1.00 0.00 C ATOM 0 H MET A 4 -7.039 24.865 -6.183 1.00 0.00 H new ATOM 0 HA MET A 4 -4.214 24.000 -5.959 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.753 22.537 -6.833 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.194 21.786 -6.554 1.00 0.00 H new ATOM 0 HG2 MET A 4 -6.549 21.514 -4.527 1.00 0.00 H new ATOM 0 HG3 MET A 4 -5.245 22.628 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.530 24.663 -2.075 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.029 22.955 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.855 24.224 -2.485 1.00 0.00 H new ATOM 55 N SER A 5 -3.623 23.774 -8.412 1.00 0.00 N ATOM 56 CA SER A 5 -3.265 23.871 -9.855 1.00 0.00 C ATOM 57 C SER A 5 -2.374 22.688 -10.243 1.00 0.00 C ATOM 58 O SER A 5 -2.162 22.414 -11.408 1.00 0.00 O ATOM 59 CB SER A 5 -2.514 25.178 -10.108 1.00 0.00 C ATOM 60 OG SER A 5 -1.955 25.154 -11.415 1.00 0.00 O ATOM 0 H SER A 5 -2.867 23.476 -7.796 1.00 0.00 H new ATOM 0 HA SER A 5 -4.175 23.852 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.192 26.026 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.726 25.308 -9.366 1.00 0.00 H new ATOM 0 HG SER A 5 -1.474 25.992 -11.581 1.00 0.00 H new ATOM 66 N ASP A 6 -1.850 21.985 -9.276 1.00 0.00 N ATOM 67 CA ASP A 6 -0.973 20.821 -9.592 1.00 0.00 C ATOM 68 C ASP A 6 0.195 21.287 -10.466 1.00 0.00 C ATOM 69 O ASP A 6 0.030 21.588 -11.630 1.00 0.00 O ATOM 70 CB ASP A 6 -1.782 19.762 -10.343 1.00 0.00 C ATOM 71 CG ASP A 6 -3.042 19.421 -9.545 1.00 0.00 C ATOM 72 OD1 ASP A 6 -3.840 20.316 -9.324 1.00 0.00 O ATOM 73 OD2 ASP A 6 -3.187 18.269 -9.169 1.00 0.00 O ATOM 0 H ASP A 6 -1.991 22.166 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.587 20.393 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.054 20.131 -11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.179 18.866 -10.491 1.00 0.00 H new ATOM 78 N GLY A 7 1.375 21.347 -9.911 1.00 0.00 N ATOM 79 CA GLY A 7 2.551 21.792 -10.711 1.00 0.00 C ATOM 80 C GLY A 7 3.629 20.708 -10.683 1.00 0.00 C ATOM 81 O GLY A 7 3.732 19.945 -9.743 1.00 0.00 O ATOM 0 H GLY A 7 1.575 21.108 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.249 21.993 -11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.947 22.724 -10.307 1.00 0.00 H new ATOM 85 N LEU A 8 4.436 20.636 -11.706 1.00 0.00 N ATOM 86 CA LEU A 8 5.508 19.602 -11.741 1.00 0.00 C ATOM 87 C LEU A 8 6.838 20.259 -12.118 1.00 0.00 C ATOM 88 O LEU A 8 7.284 20.155 -13.243 1.00 0.00 O ATOM 89 CB LEU A 8 5.153 18.535 -12.778 1.00 0.00 C ATOM 90 CG LEU A 8 3.633 18.442 -12.918 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.154 19.441 -13.973 1.00 0.00 C ATOM 92 CD2 LEU A 8 3.244 17.025 -13.345 1.00 0.00 C ATOM 0 H LEU A 8 4.399 21.250 -12.520 1.00 0.00 H new ATOM 0 HA LEU A 8 5.598 19.138 -10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.602 18.784 -13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.560 17.570 -12.476 1.00 0.00 H new ATOM 0 HG LEU A 8 3.167 18.674 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.071 19.374 -14.072 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.429 20.451 -13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.621 19.211 -14.931 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.161 16.960 -13.445 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.711 16.792 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.583 16.312 -12.593 1.00 0.00 H new ATOM 104 N PRO A 9 7.426 20.917 -11.156 1.00 0.00 N ATOM 105 CA PRO A 9 8.717 21.586 -11.429 1.00 0.00 C ATOM 106 C PRO A 9 9.859 20.566 -11.390 1.00 0.00 C ATOM 107 O PRO A 9 11.002 20.908 -11.159 1.00 0.00 O ATOM 108 CB PRO A 9 8.890 22.622 -10.312 1.00 0.00 C ATOM 109 CG PRO A 9 7.665 22.511 -9.377 1.00 0.00 C ATOM 110 CD PRO A 9 6.751 21.414 -9.939 1.00 0.00 C ATOM 0 HA PRO A 9 8.732 22.051 -12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.811 22.439 -9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.963 23.626 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.979 22.266 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.135 23.462 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.610 20.612 -9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.763 21.810 -10.173 1.00 0.00 H new ATOM 118 N ASN A 10 9.559 19.316 -11.614 1.00 0.00 N ATOM 119 CA ASN A 10 10.628 18.277 -11.590 1.00 0.00 C ATOM 120 C ASN A 10 10.291 17.172 -12.593 1.00 0.00 C ATOM 121 O ASN A 10 11.149 16.427 -13.022 1.00 0.00 O ATOM 122 CB ASN A 10 10.720 17.677 -10.184 1.00 0.00 C ATOM 123 CG ASN A 10 12.087 17.014 -10.000 1.00 0.00 C ATOM 124 OD1 ASN A 10 12.909 17.492 -9.246 1.00 0.00 O ATOM 125 ND2 ASN A 10 12.363 15.923 -10.661 1.00 0.00 N ATOM 0 H ASN A 10 8.621 18.969 -11.813 1.00 0.00 H new ATOM 0 HA ASN A 10 11.582 18.731 -11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.578 18.456 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.926 16.945 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.270 15.472 -10.544 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.672 15.522 -11.295 1.00 0.00 H new ATOM 132 N LYS A 11 9.048 17.061 -12.972 1.00 0.00 N ATOM 133 CA LYS A 11 8.661 16.004 -13.947 1.00 0.00 C ATOM 134 C LYS A 11 8.484 14.675 -13.211 1.00 0.00 C ATOM 135 O LYS A 11 7.551 13.937 -13.458 1.00 0.00 O ATOM 136 CB LYS A 11 9.758 15.858 -15.003 1.00 0.00 C ATOM 137 CG LYS A 11 9.134 15.434 -16.333 1.00 0.00 C ATOM 138 CD LYS A 11 8.804 16.676 -17.162 1.00 0.00 C ATOM 139 CE LYS A 11 7.771 16.318 -18.230 1.00 0.00 C ATOM 140 NZ LYS A 11 8.226 15.113 -18.980 1.00 0.00 N ATOM 0 H LYS A 11 8.285 17.656 -12.649 1.00 0.00 H new ATOM 0 HA LYS A 11 7.725 16.281 -14.431 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.289 16.802 -15.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.491 15.118 -14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.822 14.791 -16.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.229 14.853 -16.153 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.417 17.464 -16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.708 17.064 -17.631 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.804 16.126 -17.765 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.635 17.155 -18.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.743 15.074 -19.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.254 15.165 -19.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.999 14.258 -18.433 1.00 0.00 H new ATOM 154 N LYS A 12 9.374 14.363 -12.309 1.00 0.00 N ATOM 155 CA LYS A 12 9.261 13.082 -11.559 1.00 0.00 C ATOM 156 C LYS A 12 9.220 11.915 -12.547 1.00 0.00 C ATOM 157 O LYS A 12 8.649 12.013 -13.615 1.00 0.00 O ATOM 158 CB LYS A 12 7.976 13.087 -10.727 1.00 0.00 C ATOM 159 CG LYS A 12 7.995 11.906 -9.755 1.00 0.00 C ATOM 160 CD LYS A 12 6.752 11.955 -8.864 1.00 0.00 C ATOM 161 CE LYS A 12 6.712 10.711 -7.975 1.00 0.00 C ATOM 162 NZ LYS A 12 6.274 11.093 -6.603 1.00 0.00 N ATOM 0 H LYS A 12 10.176 14.942 -12.059 1.00 0.00 H new ATOM 0 HA LYS A 12 10.121 12.972 -10.899 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.890 14.024 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.106 13.020 -11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.022 10.967 -10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.896 11.941 -9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.768 12.854 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.853 12.005 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.028 9.973 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.697 10.246 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.247 10.247 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.943 11.782 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.326 11.517 -6.647 1.00 0.00 H new ATOM 176 N ARG A 13 9.823 10.811 -12.202 1.00 0.00 N ATOM 177 CA ARG A 13 9.818 9.641 -13.123 1.00 0.00 C ATOM 178 C ARG A 13 8.646 8.722 -12.773 1.00 0.00 C ATOM 179 O ARG A 13 8.783 7.515 -12.726 1.00 0.00 O ATOM 180 CB ARG A 13 11.133 8.873 -12.978 1.00 0.00 C ATOM 181 CG ARG A 13 12.302 9.795 -13.334 1.00 0.00 C ATOM 182 CD ARG A 13 13.618 9.024 -13.204 1.00 0.00 C ATOM 183 NE ARG A 13 14.594 9.821 -12.399 1.00 0.00 N ATOM 184 CZ ARG A 13 14.725 11.107 -12.589 1.00 0.00 C ATOM 185 NH1 ARG A 13 14.067 11.704 -13.544 1.00 0.00 N ATOM 186 NH2 ARG A 13 15.539 11.795 -11.834 1.00 0.00 N ATOM 0 H ARG A 13 10.319 10.669 -11.322 1.00 0.00 H new ATOM 0 HA ARG A 13 9.712 9.987 -14.151 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.242 8.507 -11.957 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.131 8.001 -13.631 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.187 10.170 -14.351 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.309 10.662 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.440 8.060 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.029 8.819 -14.192 1.00 0.00 H new ATOM 0 HE ARG A 13 15.164 9.355 -11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.445 11.167 -14.148 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.174 12.708 -13.687 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.070 11.328 -11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.644 12.799 -11.980 1.00 0.00 H new ATOM 200 N LYS A 14 7.494 9.282 -12.524 1.00 0.00 N ATOM 201 CA LYS A 14 6.316 8.440 -12.175 1.00 0.00 C ATOM 202 C LYS A 14 6.663 7.555 -10.976 1.00 0.00 C ATOM 203 O LYS A 14 6.243 7.805 -9.864 1.00 0.00 O ATOM 204 CB LYS A 14 5.945 7.559 -13.371 1.00 0.00 C ATOM 205 CG LYS A 14 5.023 8.336 -14.314 1.00 0.00 C ATOM 206 CD LYS A 14 3.565 7.987 -14.008 1.00 0.00 C ATOM 207 CE LYS A 14 2.639 8.928 -14.781 1.00 0.00 C ATOM 208 NZ LYS A 14 2.476 8.426 -16.175 1.00 0.00 N ATOM 0 H LYS A 14 7.318 10.286 -12.547 1.00 0.00 H new ATOM 0 HA LYS A 14 5.471 9.081 -11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.846 7.249 -13.901 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.449 6.651 -13.027 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.184 9.408 -14.195 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.256 8.092 -15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.362 6.952 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.377 8.073 -12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.669 8.987 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.053 9.936 -14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.847 9.064 -16.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.404 8.391 -16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.063 7.472 -16.154 1.00 0.00 H new ATOM 222 N ARG A 15 7.430 6.521 -11.194 1.00 0.00 N ATOM 223 CA ARG A 15 7.808 5.619 -10.070 1.00 0.00 C ATOM 224 C ARG A 15 6.565 5.280 -9.246 1.00 0.00 C ATOM 225 O ARG A 15 6.587 5.297 -8.031 1.00 0.00 O ATOM 226 CB ARG A 15 8.843 6.315 -9.180 1.00 0.00 C ATOM 227 CG ARG A 15 10.248 5.837 -9.556 1.00 0.00 C ATOM 228 CD ARG A 15 11.243 6.265 -8.475 1.00 0.00 C ATOM 229 NE ARG A 15 10.844 7.593 -7.928 1.00 0.00 N ATOM 230 CZ ARG A 15 11.368 8.023 -6.811 1.00 0.00 C ATOM 231 NH1 ARG A 15 12.233 7.284 -6.170 1.00 0.00 N ATOM 232 NH2 ARG A 15 11.026 9.189 -6.336 1.00 0.00 N ATOM 0 H ARG A 15 7.811 6.262 -12.104 1.00 0.00 H new ATOM 0 HA ARG A 15 8.237 4.700 -10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.772 7.396 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.642 6.096 -8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.257 4.752 -9.664 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.540 6.256 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.269 5.524 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.248 6.319 -8.892 1.00 0.00 H new ATOM 0 HE ARG A 15 10.162 8.166 -8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.499 6.372 -6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.643 7.619 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.349 9.765 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.435 9.524 -5.464 1.00 0.00 H new ATOM 246 N ARG A 16 5.480 4.965 -9.898 1.00 0.00 N ATOM 247 CA ARG A 16 4.240 4.617 -9.163 1.00 0.00 C ATOM 248 C ARG A 16 4.593 3.772 -7.935 1.00 0.00 C ATOM 249 O ARG A 16 5.694 3.277 -7.807 1.00 0.00 O ATOM 250 CB ARG A 16 3.314 3.837 -10.103 1.00 0.00 C ATOM 251 CG ARG A 16 3.558 2.327 -9.975 1.00 0.00 C ATOM 252 CD ARG A 16 5.023 2.014 -10.290 1.00 0.00 C ATOM 253 NE ARG A 16 5.103 0.898 -11.282 1.00 0.00 N ATOM 254 CZ ARG A 16 4.338 -0.156 -11.169 1.00 0.00 C ATOM 255 NH1 ARG A 16 3.531 -0.280 -10.152 1.00 0.00 N ATOM 256 NH2 ARG A 16 4.397 -1.098 -12.070 1.00 0.00 N ATOM 0 H ARG A 16 5.403 4.935 -10.915 1.00 0.00 H new ATOM 0 HA ARG A 16 3.733 5.522 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.274 4.064 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.484 4.152 -11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.313 1.993 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.905 1.784 -10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.516 2.901 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.550 1.739 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 16 5.763 0.960 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.494 0.448 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.937 -1.105 -10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.038 -1.010 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.802 -1.922 -11.986 1.00 0.00 H new ATOM 270 N VAL A 17 3.666 3.609 -7.030 1.00 0.00 N ATOM 271 CA VAL A 17 3.951 2.800 -5.811 1.00 0.00 C ATOM 272 C VAL A 17 4.597 1.476 -6.221 1.00 0.00 C ATOM 273 O VAL A 17 4.361 0.965 -7.298 1.00 0.00 O ATOM 274 CB VAL A 17 2.646 2.524 -5.063 1.00 0.00 C ATOM 275 CG1 VAL A 17 1.650 1.841 -6.003 1.00 0.00 C ATOM 276 CG2 VAL A 17 2.927 1.611 -3.866 1.00 0.00 C ATOM 0 H VAL A 17 2.726 4.000 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 17 4.630 3.350 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 17 2.224 3.466 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.721 1.645 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.449 2.491 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.070 0.900 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.997 1.414 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.350 0.670 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.634 2.098 -3.195 1.00 0.00 H new ATOM 286 N LEU A 18 5.415 0.918 -5.373 1.00 0.00 N ATOM 287 CA LEU A 18 6.080 -0.370 -5.717 1.00 0.00 C ATOM 288 C LEU A 18 5.282 -1.533 -5.131 1.00 0.00 C ATOM 289 O LEU A 18 4.121 -1.722 -5.432 1.00 0.00 O ATOM 290 CB LEU A 18 7.495 -0.386 -5.139 1.00 0.00 C ATOM 291 CG LEU A 18 8.173 0.956 -5.412 1.00 0.00 C ATOM 292 CD1 LEU A 18 9.673 0.839 -5.133 1.00 0.00 C ATOM 293 CD2 LEU A 18 7.955 1.347 -6.876 1.00 0.00 C ATOM 0 H LEU A 18 5.652 1.298 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 18 6.127 -0.471 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.459 -0.575 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.073 -1.195 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 18 7.743 1.719 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.155 1.797 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.829 0.560 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.105 0.077 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.438 2.304 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.385 0.584 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.887 1.432 -7.075 1.00 0.00 H new ATOM 305 N PHE A 19 5.906 -2.317 -4.301 1.00 0.00 N ATOM 306 CA PHE A 19 5.199 -3.481 -3.690 1.00 0.00 C ATOM 307 C PHE A 19 4.683 -4.402 -4.792 1.00 0.00 C ATOM 308 O PHE A 19 4.336 -3.967 -5.872 1.00 0.00 O ATOM 309 CB PHE A 19 4.001 -2.998 -2.865 1.00 0.00 C ATOM 310 CG PHE A 19 4.463 -2.131 -1.718 1.00 0.00 C ATOM 311 CD1 PHE A 19 5.423 -2.609 -0.818 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.921 -0.850 -1.553 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.843 -1.803 0.248 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.340 -0.044 -0.488 1.00 0.00 C ATOM 315 CZ PHE A 19 5.302 -0.520 0.413 1.00 0.00 C ATOM 0 H PHE A 19 6.879 -2.204 -4.016 1.00 0.00 H new ATOM 0 HA PHE A 19 5.899 -4.014 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.317 -2.436 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.447 -3.855 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.839 -3.597 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.180 -0.484 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.584 -2.170 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.922 0.944 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.627 0.101 1.234 1.00 0.00 H new ATOM 325 N THR A 20 4.607 -5.673 -4.516 1.00 0.00 N ATOM 326 CA THR A 20 4.083 -6.625 -5.534 1.00 0.00 C ATOM 327 C THR A 20 2.683 -6.142 -5.968 1.00 0.00 C ATOM 328 O THR A 20 1.799 -6.085 -5.138 1.00 0.00 O ATOM 329 CB THR A 20 3.949 -8.012 -4.898 1.00 0.00 C ATOM 330 OG1 THR A 20 2.799 -8.037 -4.066 1.00 0.00 O ATOM 331 CG2 THR A 20 5.193 -8.319 -4.064 1.00 0.00 C ATOM 0 H THR A 20 4.885 -6.094 -3.630 1.00 0.00 H new ATOM 0 HA THR A 20 4.756 -6.674 -6.390 1.00 0.00 H new ATOM 0 HB THR A 20 3.849 -8.763 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.709 -8.924 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.094 -9.306 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.075 -8.299 -4.705 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.298 -7.570 -3.279 1.00 0.00 H new ATOM 339 N LYS A 21 2.439 -5.790 -7.229 1.00 0.00 N ATOM 340 CA LYS A 21 1.064 -5.339 -7.593 1.00 0.00 C ATOM 341 C LYS A 21 0.082 -6.166 -6.778 1.00 0.00 C ATOM 342 O LYS A 21 -0.989 -5.722 -6.426 1.00 0.00 O ATOM 343 CB LYS A 21 0.817 -5.567 -9.086 1.00 0.00 C ATOM 344 CG LYS A 21 2.156 -5.639 -9.818 1.00 0.00 C ATOM 345 CD LYS A 21 2.801 -7.004 -9.567 1.00 0.00 C ATOM 346 CE LYS A 21 2.656 -7.874 -10.816 1.00 0.00 C ATOM 347 NZ LYS A 21 2.921 -9.297 -10.464 1.00 0.00 N ATOM 0 H LYS A 21 3.119 -5.800 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 21 0.942 -4.276 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.258 -6.491 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.211 -4.758 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.007 -5.486 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.816 -4.844 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.855 -6.880 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.327 -7.491 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.653 -7.771 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.353 -7.543 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.822 -9.889 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.887 -9.388 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.239 -9.609 -9.744 1.00 0.00 H new ATOM 361 N ALA A 22 0.481 -7.364 -6.445 1.00 0.00 N ATOM 362 CA ALA A 22 -0.371 -8.250 -5.614 1.00 0.00 C ATOM 363 C ALA A 22 -0.641 -7.540 -4.288 1.00 0.00 C ATOM 364 O ALA A 22 -1.752 -7.163 -3.983 1.00 0.00 O ATOM 365 CB ALA A 22 0.392 -9.548 -5.357 1.00 0.00 C ATOM 0 H ALA A 22 1.376 -7.769 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.314 -8.473 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.218 -10.214 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.618 -10.032 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.322 -9.326 -4.833 1.00 0.00 H new ATOM 371 N GLN A 23 0.380 -7.322 -3.510 1.00 0.00 N ATOM 372 CA GLN A 23 0.180 -6.592 -2.233 1.00 0.00 C ATOM 373 C GLN A 23 -0.727 -5.417 -2.518 1.00 0.00 C ATOM 374 O GLN A 23 -1.935 -5.486 -2.410 1.00 0.00 O ATOM 375 CB GLN A 23 1.522 -6.047 -1.754 1.00 0.00 C ATOM 376 CG GLN A 23 2.386 -7.193 -1.223 1.00 0.00 C ATOM 377 CD GLN A 23 3.833 -6.720 -1.086 1.00 0.00 C ATOM 378 OE1 GLN A 23 4.290 -5.892 -1.849 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.581 -7.214 -0.137 1.00 0.00 N ATOM 0 H GLN A 23 1.338 -7.616 -3.702 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.246 -7.253 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.034 -5.543 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.365 -5.305 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.009 -7.529 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.334 -8.046 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.199 -7.909 0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.548 -6.905 -0.037 1.00 0.00 H new ATOM 388 N THR A 24 -0.122 -4.342 -2.903 1.00 0.00 N ATOM 389 CA THR A 24 -0.871 -3.118 -3.231 1.00 0.00 C ATOM 390 C THR A 24 -2.244 -3.454 -3.831 1.00 0.00 C ATOM 391 O THR A 24 -3.158 -2.660 -3.744 1.00 0.00 O ATOM 392 CB THR A 24 -0.053 -2.328 -4.238 1.00 0.00 C ATOM 393 OG1 THR A 24 1.141 -1.871 -3.620 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.869 -1.136 -4.721 1.00 0.00 C ATOM 0 H THR A 24 0.889 -4.261 -3.006 1.00 0.00 H new ATOM 0 HA THR A 24 -1.038 -2.539 -2.323 1.00 0.00 H new ATOM 0 HB THR A 24 0.201 -2.963 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.064 -1.968 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.286 -0.565 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.786 -1.490 -5.192 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.119 -0.499 -3.873 1.00 0.00 H new ATOM 402 N TYR A 25 -2.423 -4.608 -4.435 1.00 0.00 N ATOM 403 CA TYR A 25 -3.759 -4.913 -5.003 1.00 0.00 C ATOM 404 C TYR A 25 -4.701 -5.249 -3.845 1.00 0.00 C ATOM 405 O TYR A 25 -5.509 -4.430 -3.453 1.00 0.00 O ATOM 406 CB TYR A 25 -3.657 -6.073 -5.995 1.00 0.00 C ATOM 407 CG TYR A 25 -4.821 -6.911 -5.925 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.981 -6.493 -6.516 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.709 -8.130 -5.328 1.00 0.00 C ATOM 410 CE1 TYR A 25 -7.074 -7.311 -6.501 1.00 0.00 C ATOM 411 CE2 TYR A 25 -5.788 -8.972 -5.309 1.00 0.00 C ATOM 412 CZ TYR A 25 -6.995 -8.572 -5.897 1.00 0.00 C ATOM 413 OH TYR A 25 -8.091 -9.411 -5.887 1.00 0.00 O ATOM 0 H TYR A 25 -1.714 -5.331 -4.553 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.150 -4.054 -5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.545 -5.683 -7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.766 -6.663 -5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.032 -5.524 -6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.776 -8.430 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.999 -6.986 -6.955 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.709 -9.942 -4.842 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.860 -10.245 -5.428 1.00 0.00 H new ATOM 423 N GLU A 26 -4.589 -6.416 -3.256 1.00 0.00 N ATOM 424 CA GLU A 26 -5.474 -6.714 -2.093 1.00 0.00 C ATOM 425 C GLU A 26 -5.481 -5.457 -1.248 1.00 0.00 C ATOM 426 O GLU A 26 -6.507 -4.885 -0.937 1.00 0.00 O ATOM 427 CB GLU A 26 -4.893 -7.842 -1.245 1.00 0.00 C ATOM 428 CG GLU A 26 -4.329 -8.939 -2.147 1.00 0.00 C ATOM 429 CD GLU A 26 -4.405 -10.287 -1.426 1.00 0.00 C ATOM 430 OE1 GLU A 26 -4.982 -10.329 -0.351 1.00 0.00 O ATOM 431 OE2 GLU A 26 -3.888 -11.252 -1.960 1.00 0.00 O ATOM 0 H GLU A 26 -3.940 -7.156 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.466 -7.011 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.107 -7.453 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.666 -8.255 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.892 -8.982 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.295 -8.713 -2.409 1.00 0.00 H new ATOM 438 N LEU A 27 -4.305 -5.012 -0.913 1.00 0.00 N ATOM 439 CA LEU A 27 -4.149 -3.781 -0.131 1.00 0.00 C ATOM 440 C LEU A 27 -5.119 -2.737 -0.687 1.00 0.00 C ATOM 441 O LEU A 27 -5.891 -2.139 0.036 1.00 0.00 O ATOM 442 CB LEU A 27 -2.709 -3.320 -0.319 1.00 0.00 C ATOM 443 CG LEU A 27 -2.115 -2.865 1.008 1.00 0.00 C ATOM 444 CD1 LEU A 27 -0.733 -2.271 0.759 1.00 0.00 C ATOM 445 CD2 LEU A 27 -3.021 -1.817 1.642 1.00 0.00 C ATOM 0 H LEU A 27 -3.428 -5.471 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.361 -3.932 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.112 -4.133 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.674 -2.502 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.030 -3.716 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.302 -1.943 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.088 -3.026 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.819 -1.419 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.594 -1.493 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.110 -0.961 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.008 -2.246 1.816 1.00 0.00 H new ATOM 457 N GLU A 28 -5.092 -2.530 -1.978 1.00 0.00 N ATOM 458 CA GLU A 28 -6.017 -1.544 -2.598 1.00 0.00 C ATOM 459 C GLU A 28 -7.450 -2.043 -2.427 1.00 0.00 C ATOM 460 O GLU A 28 -8.300 -1.352 -1.901 1.00 0.00 O ATOM 461 CB GLU A 28 -5.704 -1.410 -4.090 1.00 0.00 C ATOM 462 CG GLU A 28 -4.781 -0.210 -4.317 1.00 0.00 C ATOM 463 CD GLU A 28 -5.627 1.039 -4.575 1.00 0.00 C ATOM 464 OE1 GLU A 28 -6.454 1.353 -3.736 1.00 0.00 O ATOM 465 OE2 GLU A 28 -5.433 1.657 -5.608 1.00 0.00 O ATOM 0 H GLU A 28 -4.466 -3.004 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.896 -0.573 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.229 -2.321 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.627 -1.283 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.143 -0.058 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.123 -0.399 -5.165 1.00 0.00 H new ATOM 472 N ARG A 29 -7.721 -3.245 -2.858 1.00 0.00 N ATOM 473 CA ARG A 29 -9.095 -3.793 -2.707 1.00 0.00 C ATOM 474 C ARG A 29 -9.627 -3.398 -1.331 1.00 0.00 C ATOM 475 O ARG A 29 -10.782 -3.054 -1.177 1.00 0.00 O ATOM 476 CB ARG A 29 -9.056 -5.318 -2.830 1.00 0.00 C ATOM 477 CG ARG A 29 -8.975 -5.717 -4.306 1.00 0.00 C ATOM 478 CD ARG A 29 -10.180 -6.588 -4.669 1.00 0.00 C ATOM 479 NE ARG A 29 -10.233 -7.764 -3.756 1.00 0.00 N ATOM 480 CZ ARG A 29 -11.326 -8.474 -3.669 1.00 0.00 C ATOM 481 NH1 ARG A 29 -12.372 -8.152 -4.380 1.00 0.00 N ATOM 482 NH2 ARG A 29 -11.371 -9.504 -2.870 1.00 0.00 N ATOM 0 H ARG A 29 -7.050 -3.869 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.745 -3.393 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.196 -5.714 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.946 -5.752 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.955 -4.826 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.050 -6.261 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.099 -6.008 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.104 -6.920 -5.704 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.416 -8.015 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.336 -7.346 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.225 -8.707 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.553 -9.754 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.224 -10.059 -2.801 1.00 0.00 H new ATOM 496 N ARG A 30 -8.788 -3.428 -0.328 1.00 0.00 N ATOM 497 CA ARG A 30 -9.253 -3.034 1.029 1.00 0.00 C ATOM 498 C ARG A 30 -9.759 -1.591 0.951 1.00 0.00 C ATOM 499 O ARG A 30 -10.713 -1.215 1.602 1.00 0.00 O ATOM 500 CB ARG A 30 -8.082 -3.109 2.028 1.00 0.00 C ATOM 501 CG ARG A 30 -8.463 -3.917 3.284 1.00 0.00 C ATOM 502 CD ARG A 30 -9.916 -3.648 3.686 1.00 0.00 C ATOM 503 NE ARG A 30 -10.783 -4.748 3.180 1.00 0.00 N ATOM 504 CZ ARG A 30 -11.987 -4.905 3.660 1.00 0.00 C ATOM 505 NH1 ARG A 30 -12.429 -4.101 4.588 1.00 0.00 N ATOM 506 NH2 ARG A 30 -12.745 -5.868 3.215 1.00 0.00 N ATOM 0 H ARG A 30 -7.809 -3.706 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.044 -3.705 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.220 -3.569 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.785 -2.101 2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.325 -4.981 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.799 -3.653 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.997 -3.576 4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.247 -2.693 3.278 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.436 -5.379 2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.834 -3.350 4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.370 -4.223 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.397 -6.498 2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.686 -5.991 3.590 1.00 0.00 H new ATOM 520 N PHE A 31 -9.119 -0.786 0.143 1.00 0.00 N ATOM 521 CA PHE A 31 -9.546 0.635 -0.005 1.00 0.00 C ATOM 522 C PHE A 31 -11.049 0.681 -0.281 1.00 0.00 C ATOM 523 O PHE A 31 -11.774 1.469 0.292 1.00 0.00 O ATOM 524 CB PHE A 31 -8.791 1.267 -1.178 1.00 0.00 C ATOM 525 CG PHE A 31 -8.851 2.773 -1.073 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.076 3.437 -1.215 1.00 0.00 C ATOM 527 CD2 PHE A 31 -7.682 3.505 -0.835 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.131 4.833 -1.119 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.736 4.901 -0.739 1.00 0.00 C ATOM 530 CZ PHE A 31 -8.961 5.565 -0.881 1.00 0.00 C ATOM 0 H PHE A 31 -8.314 -1.055 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.326 1.186 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.753 0.934 -1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.228 0.941 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.978 2.872 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.738 2.993 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.076 5.345 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.834 5.465 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.003 6.642 -0.807 1.00 0.00 H new ATOM 540 N ARG A 32 -11.521 -0.165 -1.156 1.00 0.00 N ATOM 541 CA ARG A 32 -12.976 -0.178 -1.473 1.00 0.00 C ATOM 542 C ARG A 32 -13.770 -0.495 -0.204 1.00 0.00 C ATOM 543 O ARG A 32 -14.416 0.361 0.365 1.00 0.00 O ATOM 544 CB ARG A 32 -13.253 -1.243 -2.530 1.00 0.00 C ATOM 545 CG ARG A 32 -12.812 -0.724 -3.903 1.00 0.00 C ATOM 546 CD ARG A 32 -11.373 -1.163 -4.195 1.00 0.00 C ATOM 547 NE ARG A 32 -10.583 -0.001 -4.705 1.00 0.00 N ATOM 548 CZ ARG A 32 -11.096 0.827 -5.577 1.00 0.00 C ATOM 549 NH1 ARG A 32 -12.278 0.604 -6.083 1.00 0.00 N ATOM 550 NH2 ARG A 32 -10.412 1.868 -5.966 1.00 0.00 N ATOM 0 H ARG A 32 -10.960 -0.848 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.277 0.798 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.717 -2.161 -2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.315 -1.488 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.480 -1.104 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.881 0.364 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.913 -1.558 -3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.371 -1.967 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.632 0.148 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.807 -0.220 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.673 1.254 -6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.479 2.035 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.811 2.515 -6.646 1.00 0.00 H new ATOM 564 N GLN A 33 -13.725 -1.720 0.247 1.00 0.00 N ATOM 565 CA GLN A 33 -14.477 -2.086 1.482 1.00 0.00 C ATOM 566 C GLN A 33 -14.072 -1.143 2.615 1.00 0.00 C ATOM 567 O GLN A 33 -14.904 -0.591 3.306 1.00 0.00 O ATOM 568 CB GLN A 33 -14.153 -3.531 1.868 1.00 0.00 C ATOM 569 CG GLN A 33 -15.001 -4.483 1.023 1.00 0.00 C ATOM 570 CD GLN A 33 -14.252 -5.803 0.828 1.00 0.00 C ATOM 571 OE1 GLN A 33 -14.612 -6.810 1.404 1.00 0.00 O ATOM 572 NE2 GLN A 33 -13.218 -5.841 0.033 1.00 0.00 N ATOM 0 H GLN A 33 -13.201 -2.481 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.548 -1.996 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.093 -3.733 1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.354 -3.690 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.958 -4.665 1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -15.219 -4.031 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.915 -4.996 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.712 -6.716 -0.105 1.00 0.00 H new ATOM 581 N GLN A 34 -12.796 -0.944 2.802 1.00 0.00 N ATOM 582 CA GLN A 34 -12.331 -0.027 3.877 1.00 0.00 C ATOM 583 C GLN A 34 -11.371 0.990 3.276 1.00 0.00 C ATOM 584 O GLN A 34 -10.316 0.648 2.783 1.00 0.00 O ATOM 585 CB GLN A 34 -11.586 -0.808 4.954 1.00 0.00 C ATOM 586 CG GLN A 34 -11.448 0.042 6.213 1.00 0.00 C ATOM 587 CD GLN A 34 -12.783 0.075 6.957 1.00 0.00 C ATOM 588 OE1 GLN A 34 -12.842 0.472 8.105 1.00 0.00 O ATOM 589 NE2 GLN A 34 -13.866 -0.328 6.351 1.00 0.00 N ATOM 0 H GLN A 34 -12.054 -1.379 2.254 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.197 0.467 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.122 -1.729 5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.600 -1.096 4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.671 -0.368 6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.142 1.054 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.818 -0.661 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.761 -0.310 6.840 1.00 0.00 H new ATOM 598 N ARG A 35 -11.719 2.234 3.328 1.00 0.00 N ATOM 599 CA ARG A 35 -10.828 3.278 2.781 1.00 0.00 C ATOM 600 C ARG A 35 -10.140 3.951 3.961 1.00 0.00 C ATOM 601 O ARG A 35 -9.340 4.853 3.817 1.00 0.00 O ATOM 602 CB ARG A 35 -11.676 4.267 1.975 1.00 0.00 C ATOM 603 CG ARG A 35 -11.673 5.651 2.616 1.00 0.00 C ATOM 604 CD ARG A 35 -12.522 6.590 1.766 1.00 0.00 C ATOM 605 NE ARG A 35 -12.918 7.777 2.574 1.00 0.00 N ATOM 606 CZ ARG A 35 -13.363 8.850 1.981 1.00 0.00 C ATOM 607 NH1 ARG A 35 -13.460 8.883 0.680 1.00 0.00 N ATOM 608 NH2 ARG A 35 -13.710 9.890 2.688 1.00 0.00 N ATOM 0 H ARG A 35 -12.592 2.577 3.730 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.069 2.868 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.291 4.334 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.699 3.899 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.070 5.598 3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.654 6.029 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.962 6.907 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.410 6.069 1.408 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.841 7.751 3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.188 8.070 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.808 9.722 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.633 9.864 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.058 10.729 2.224 1.00 0.00 H new ATOM 622 N TYR A 36 -10.444 3.490 5.141 1.00 0.00 N ATOM 623 CA TYR A 36 -9.815 4.083 6.354 1.00 0.00 C ATOM 624 C TYR A 36 -9.255 2.975 7.250 1.00 0.00 C ATOM 625 O TYR A 36 -9.378 3.026 8.458 1.00 0.00 O ATOM 626 CB TYR A 36 -10.854 4.898 7.133 1.00 0.00 C ATOM 627 CG TYR A 36 -12.248 4.433 6.783 1.00 0.00 C ATOM 628 CD1 TYR A 36 -12.728 3.214 7.276 1.00 0.00 C ATOM 629 CD2 TYR A 36 -13.066 5.228 5.970 1.00 0.00 C ATOM 630 CE1 TYR A 36 -14.023 2.791 6.956 1.00 0.00 C ATOM 631 CE2 TYR A 36 -14.361 4.804 5.650 1.00 0.00 C ATOM 632 CZ TYR A 36 -14.839 3.586 6.144 1.00 0.00 C ATOM 633 OH TYR A 36 -16.117 3.167 5.829 1.00 0.00 O ATOM 0 H TYR A 36 -11.100 2.729 5.319 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.000 4.738 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.684 4.789 8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.746 5.957 6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.099 2.600 7.903 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -12.697 6.169 5.590 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.393 1.850 7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.991 5.417 5.022 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.549 3.836 5.258 1.00 0.00 H new ATOM 643 N LEU A 37 -8.633 1.982 6.669 1.00 0.00 N ATOM 644 CA LEU A 37 -8.052 0.879 7.492 1.00 0.00 C ATOM 645 C LEU A 37 -7.582 1.452 8.835 1.00 0.00 C ATOM 646 O LEU A 37 -7.021 2.527 8.892 1.00 0.00 O ATOM 647 CB LEU A 37 -6.871 0.251 6.737 1.00 0.00 C ATOM 648 CG LEU A 37 -7.216 -1.199 6.364 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.413 -1.198 5.439 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.033 -1.874 5.650 1.00 0.00 C ATOM 0 H LEU A 37 -8.502 1.887 5.662 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.803 0.110 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.652 0.827 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.975 0.275 7.357 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.438 -1.753 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.665 -2.224 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.262 -0.736 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.176 -0.633 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.299 -2.900 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.796 -1.324 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.165 -1.878 6.309 1.00 0.00 H new ATOM 662 N SER A 38 -7.827 0.761 9.922 1.00 0.00 N ATOM 663 CA SER A 38 -7.412 1.287 11.246 1.00 0.00 C ATOM 664 C SER A 38 -6.552 0.259 11.974 1.00 0.00 C ATOM 665 O SER A 38 -5.725 -0.412 11.397 1.00 0.00 O ATOM 666 CB SER A 38 -8.652 1.584 12.079 1.00 0.00 C ATOM 667 OG SER A 38 -8.260 2.142 13.325 1.00 0.00 O ATOM 0 H SER A 38 -8.297 -0.144 9.943 1.00 0.00 H new ATOM 0 HA SER A 38 -6.832 2.199 11.102 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.304 2.277 11.547 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.223 0.670 12.241 1.00 0.00 H new ATOM 0 HG SER A 38 -7.363 2.528 13.243 1.00 0.00 H new ATOM 673 N ALA A 39 -6.752 0.129 13.242 1.00 0.00 N ATOM 674 CA ALA A 39 -5.961 -0.856 14.028 1.00 0.00 C ATOM 675 C ALA A 39 -6.659 -2.218 13.968 1.00 0.00 C ATOM 676 O ALA A 39 -6.014 -3.247 14.015 1.00 0.00 O ATOM 677 CB ALA A 39 -5.852 -0.379 15.477 1.00 0.00 C ATOM 0 H ALA A 39 -7.434 0.664 13.780 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.958 -0.949 13.612 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.273 -1.099 16.055 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.356 0.591 15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.850 -0.288 15.906 1.00 0.00 H new ATOM 683 N PRO A 40 -7.962 -2.174 13.848 1.00 0.00 N ATOM 684 CA PRO A 40 -8.717 -3.435 13.764 1.00 0.00 C ATOM 685 C PRO A 40 -8.967 -3.850 12.315 1.00 0.00 C ATOM 686 O PRO A 40 -9.151 -5.012 12.015 1.00 0.00 O ATOM 687 CB PRO A 40 -10.021 -3.217 14.482 1.00 0.00 C ATOM 688 CG PRO A 40 -9.986 -1.790 14.952 1.00 0.00 C ATOM 689 CD PRO A 40 -8.578 -1.253 14.799 1.00 0.00 C ATOM 0 HA PRO A 40 -8.145 -4.242 14.222 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.868 -3.391 13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.127 -3.904 15.321 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.684 -1.186 14.372 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.301 -1.729 15.994 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.578 -0.230 14.424 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.046 -1.244 15.751 1.00 0.00 H new ATOM 697 N GLU A 41 -8.984 -2.906 11.415 1.00 0.00 N ATOM 698 CA GLU A 41 -9.230 -3.234 9.993 1.00 0.00 C ATOM 699 C GLU A 41 -7.916 -3.586 9.322 1.00 0.00 C ATOM 700 O GLU A 41 -7.789 -4.602 8.667 1.00 0.00 O ATOM 701 CB GLU A 41 -9.831 -2.018 9.309 1.00 0.00 C ATOM 702 CG GLU A 41 -11.299 -2.274 9.044 1.00 0.00 C ATOM 703 CD GLU A 41 -12.060 -2.345 10.369 1.00 0.00 C ATOM 704 OE1 GLU A 41 -11.735 -3.207 11.169 1.00 0.00 O ATOM 705 OE2 GLU A 41 -12.955 -1.539 10.559 1.00 0.00 O ATOM 0 H GLU A 41 -8.836 -1.916 11.610 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.913 -4.081 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.711 -1.135 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.309 -1.817 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.709 -1.480 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.421 -3.207 8.493 1.00 0.00 H new ATOM 712 N ARG A 42 -6.929 -2.761 9.494 1.00 0.00 N ATOM 713 CA ARG A 42 -5.621 -3.062 8.879 1.00 0.00 C ATOM 714 C ARG A 42 -5.354 -4.540 9.101 1.00 0.00 C ATOM 715 O ARG A 42 -5.085 -5.291 8.184 1.00 0.00 O ATOM 716 CB ARG A 42 -4.528 -2.268 9.567 1.00 0.00 C ATOM 717 CG ARG A 42 -4.421 -0.827 9.053 1.00 0.00 C ATOM 718 CD ARG A 42 -3.167 -0.188 9.661 1.00 0.00 C ATOM 719 NE ARG A 42 -3.534 0.759 10.762 1.00 0.00 N ATOM 720 CZ ARG A 42 -4.399 1.715 10.578 1.00 0.00 C ATOM 721 NH1 ARG A 42 -4.929 1.908 9.402 1.00 0.00 N ATOM 722 NH2 ARG A 42 -4.710 2.503 11.571 1.00 0.00 N ATOM 0 H ARG A 42 -6.973 -1.896 10.032 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.632 -2.806 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.719 -2.252 10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.573 -2.772 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.363 -0.816 7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.309 -0.259 9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.508 -0.965 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.613 0.344 8.888 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.096 0.653 11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.667 1.308 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.606 2.659 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.276 2.368 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.387 3.254 11.434 1.00 0.00 H new ATOM 736 N GLU A 43 -5.450 -4.960 10.328 1.00 0.00 N ATOM 737 CA GLU A 43 -5.232 -6.386 10.656 1.00 0.00 C ATOM 738 C GLU A 43 -5.753 -7.251 9.507 1.00 0.00 C ATOM 739 O GLU A 43 -5.074 -8.136 9.024 1.00 0.00 O ATOM 740 CB GLU A 43 -6.003 -6.699 11.931 1.00 0.00 C ATOM 741 CG GLU A 43 -5.020 -6.827 13.093 1.00 0.00 C ATOM 742 CD GLU A 43 -4.107 -8.032 12.862 1.00 0.00 C ATOM 743 OE1 GLU A 43 -4.623 -9.085 12.526 1.00 0.00 O ATOM 744 OE2 GLU A 43 -2.907 -7.881 13.026 1.00 0.00 O ATOM 0 H GLU A 43 -5.673 -4.365 11.126 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.171 -6.592 10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.726 -5.910 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.566 -7.624 11.812 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.425 -5.918 13.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.563 -6.944 14.031 1.00 0.00 H new ATOM 751 N HIS A 44 -6.955 -6.995 9.060 1.00 0.00 N ATOM 752 CA HIS A 44 -7.519 -7.795 7.937 1.00 0.00 C ATOM 753 C HIS A 44 -6.507 -7.827 6.794 1.00 0.00 C ATOM 754 O HIS A 44 -6.111 -8.878 6.332 1.00 0.00 O ATOM 755 CB HIS A 44 -8.820 -7.155 7.450 1.00 0.00 C ATOM 756 CG HIS A 44 -9.335 -7.914 6.259 1.00 0.00 C ATOM 757 ND1 HIS A 44 -8.722 -7.845 5.017 1.00 0.00 N ATOM 758 CD2 HIS A 44 -10.403 -8.763 6.103 1.00 0.00 C ATOM 759 CE1 HIS A 44 -9.419 -8.633 4.176 1.00 0.00 C ATOM 760 NE2 HIS A 44 -10.453 -9.216 4.788 1.00 0.00 N ATOM 0 H HIS A 44 -7.569 -6.267 9.425 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.726 -8.810 8.277 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.562 -7.162 8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.648 -6.112 7.184 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.098 -9.037 6.882 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.172 -8.776 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.134 -9.856 4.379 1.00 0.00 H new ATOM 768 N LEU A 45 -6.062 -6.682 6.352 1.00 0.00 N ATOM 769 CA LEU A 45 -5.055 -6.651 5.258 1.00 0.00 C ATOM 770 C LEU A 45 -3.830 -7.379 5.744 1.00 0.00 C ATOM 771 O LEU A 45 -3.388 -8.359 5.178 1.00 0.00 O ATOM 772 CB LEU A 45 -4.664 -5.185 4.963 1.00 0.00 C ATOM 773 CG LEU A 45 -3.535 -5.104 3.984 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.230 -5.566 4.666 1.00 0.00 C ATOM 775 CD2 LEU A 45 -3.984 -5.950 2.787 1.00 0.00 C ATOM 0 H LEU A 45 -6.353 -5.769 6.702 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.460 -7.112 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.528 -4.649 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.378 -4.690 5.891 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.311 -4.097 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.407 -5.507 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.018 -4.922 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.342 -6.595 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.207 -5.941 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.161 -6.975 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.904 -5.537 2.374 1.00 0.00 H new ATOM 787 N THR A 46 -3.263 -6.864 6.779 1.00 0.00 N ATOM 788 CA THR A 46 -2.037 -7.438 7.340 1.00 0.00 C ATOM 789 C THR A 46 -2.170 -8.955 7.395 1.00 0.00 C ATOM 790 O THR A 46 -1.208 -9.679 7.550 1.00 0.00 O ATOM 791 CB THR A 46 -1.894 -6.808 8.698 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.164 -6.782 9.292 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.389 -5.382 8.518 1.00 0.00 C ATOM 0 H THR A 46 -3.612 -6.043 7.273 1.00 0.00 H new ATOM 0 HA THR A 46 -1.147 -7.239 6.743 1.00 0.00 H new ATOM 0 HB THR A 46 -1.196 -7.367 9.321 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.572 -7.671 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.279 -4.909 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.424 -5.399 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.102 -4.816 7.919 1.00 0.00 H new ATOM 801 N SER A 47 -3.360 -9.440 7.215 1.00 0.00 N ATOM 802 CA SER A 47 -3.570 -10.910 7.187 1.00 0.00 C ATOM 803 C SER A 47 -3.345 -11.375 5.745 1.00 0.00 C ATOM 804 O SER A 47 -2.748 -12.403 5.493 1.00 0.00 O ATOM 805 CB SER A 47 -4.999 -11.242 7.624 1.00 0.00 C ATOM 806 OG SER A 47 -5.689 -11.861 6.545 1.00 0.00 O ATOM 0 H SER A 47 -4.202 -8.880 7.085 1.00 0.00 H new ATOM 0 HA SER A 47 -2.881 -11.411 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.982 -11.906 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.518 -10.334 7.930 1.00 0.00 H new ATOM 0 HG SER A 47 -6.604 -12.076 6.822 1.00 0.00 H new ATOM 812 N LEU A 48 -3.827 -10.609 4.796 1.00 0.00 N ATOM 813 CA LEU A 48 -3.664 -10.962 3.364 1.00 0.00 C ATOM 814 C LEU A 48 -2.222 -10.817 2.908 1.00 0.00 C ATOM 815 O LEU A 48 -1.438 -11.747 2.919 1.00 0.00 O ATOM 816 CB LEU A 48 -4.444 -9.979 2.536 1.00 0.00 C ATOM 817 CG LEU A 48 -5.848 -10.456 2.341 1.00 0.00 C ATOM 818 CD1 LEU A 48 -5.853 -11.784 1.582 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.538 -10.617 3.695 1.00 0.00 C ATOM 0 H LEU A 48 -4.334 -9.740 4.964 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.999 -11.993 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.449 -9.005 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.961 -9.846 1.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.394 -9.717 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.880 -12.121 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.384 -11.648 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.298 -12.530 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.560 -10.965 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.993 -11.344 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.554 -9.657 4.212 1.00 0.00 H new ATOM 831 N ILE A 49 -1.905 -9.637 2.437 1.00 0.00 N ATOM 832 CA ILE A 49 -0.548 -9.389 1.888 1.00 0.00 C ATOM 833 C ILE A 49 0.422 -8.934 2.982 1.00 0.00 C ATOM 834 O ILE A 49 1.449 -8.342 2.728 1.00 0.00 O ATOM 835 CB ILE A 49 -0.668 -8.409 0.705 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.524 -6.932 1.086 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.055 -8.564 0.094 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.227 -6.655 2.391 1.00 0.00 C ATOM 0 H ILE A 49 -2.534 -8.835 2.411 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.115 -10.314 1.506 1.00 0.00 H new ATOM 0 HB ILE A 49 0.147 -8.659 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.531 -6.673 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.943 -6.304 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.161 -7.878 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.187 -9.588 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.811 -8.337 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.115 -5.602 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.286 -6.894 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.789 -7.269 3.178 1.00 0.00 H new ATOM 850 N ARG A 50 0.113 -9.296 4.195 1.00 0.00 N ATOM 851 CA ARG A 50 1.001 -9.008 5.364 1.00 0.00 C ATOM 852 C ARG A 50 1.499 -7.563 5.435 1.00 0.00 C ATOM 853 O ARG A 50 2.016 -7.162 6.459 1.00 0.00 O ATOM 854 CB ARG A 50 2.203 -9.948 5.301 1.00 0.00 C ATOM 855 CG ARG A 50 1.749 -11.313 4.778 1.00 0.00 C ATOM 856 CD ARG A 50 2.360 -12.418 5.640 1.00 0.00 C ATOM 857 NE ARG A 50 2.048 -13.746 5.041 1.00 0.00 N ATOM 858 CZ ARG A 50 2.697 -14.808 5.435 1.00 0.00 C ATOM 859 NH1 ARG A 50 3.616 -14.704 6.356 1.00 0.00 N ATOM 860 NH2 ARG A 50 2.428 -15.971 4.909 1.00 0.00 N ATOM 0 H ARG A 50 -0.744 -9.795 4.435 1.00 0.00 H new ATOM 0 HA ARG A 50 0.402 -9.166 6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.971 -9.532 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.649 -10.054 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.661 -11.379 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.055 -11.436 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.439 -12.284 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.965 -12.363 6.654 1.00 0.00 H new ATOM 0 HE ARG A 50 1.328 -13.825 4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.826 -13.794 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.124 -15.533 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.710 -16.051 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.936 -16.800 5.218 1.00 0.00 H new ATOM 874 N LEU A 51 1.383 -6.771 4.405 1.00 0.00 N ATOM 875 CA LEU A 51 1.897 -5.375 4.540 1.00 0.00 C ATOM 876 C LEU A 51 1.553 -4.879 5.953 1.00 0.00 C ATOM 877 O LEU A 51 0.422 -4.574 6.261 1.00 0.00 O ATOM 878 CB LEU A 51 1.294 -4.450 3.473 1.00 0.00 C ATOM 879 CG LEU A 51 2.327 -4.227 2.365 1.00 0.00 C ATOM 880 CD1 LEU A 51 3.511 -3.432 2.920 1.00 0.00 C ATOM 881 CD2 LEU A 51 2.818 -5.580 1.841 1.00 0.00 C ATOM 0 H LEU A 51 0.970 -7.015 3.505 1.00 0.00 H new ATOM 0 HA LEU A 51 2.976 -5.364 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.388 -4.893 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.008 -3.497 3.919 1.00 0.00 H new ATOM 0 HG LEU A 51 1.867 -3.669 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.245 -3.274 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.161 -2.468 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.971 -3.987 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.553 -5.420 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.276 -6.141 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.975 -6.143 1.442 1.00 0.00 H new ATOM 893 N THR A 52 2.529 -4.858 6.827 1.00 0.00 N ATOM 894 CA THR A 52 2.294 -4.443 8.243 1.00 0.00 C ATOM 895 C THR A 52 1.161 -3.417 8.351 1.00 0.00 C ATOM 896 O THR A 52 0.972 -2.601 7.474 1.00 0.00 O ATOM 897 CB THR A 52 3.573 -3.832 8.809 1.00 0.00 C ATOM 898 OG1 THR A 52 4.230 -3.087 7.793 1.00 0.00 O ATOM 899 CG2 THR A 52 4.496 -4.944 9.305 1.00 0.00 C ATOM 0 H THR A 52 3.493 -5.115 6.615 1.00 0.00 H new ATOM 0 HA THR A 52 2.008 -5.329 8.809 1.00 0.00 H new ATOM 0 HB THR A 52 3.323 -3.173 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.103 -2.786 8.121 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.409 -4.506 9.709 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.992 -5.515 10.085 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.747 -5.605 8.476 1.00 0.00 H new ATOM 907 N PRO A 53 0.450 -3.497 9.452 1.00 0.00 N ATOM 908 CA PRO A 53 -0.670 -2.555 9.676 1.00 0.00 C ATOM 909 C PRO A 53 -0.219 -1.109 9.487 1.00 0.00 C ATOM 910 O PRO A 53 -0.392 -0.532 8.432 1.00 0.00 O ATOM 911 CB PRO A 53 -1.127 -2.782 11.119 1.00 0.00 C ATOM 912 CG PRO A 53 -0.212 -3.857 11.727 1.00 0.00 C ATOM 913 CD PRO A 53 0.737 -4.345 10.628 1.00 0.00 C ATOM 0 HA PRO A 53 -1.475 -2.729 8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.065 -1.856 11.691 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.168 -3.104 11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.353 -3.448 12.565 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.803 -4.686 12.116 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.778 -4.248 10.937 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.568 -5.398 10.403 1.00 0.00 H new ATOM 921 N THR A 54 0.343 -0.511 10.503 1.00 0.00 N ATOM 922 CA THR A 54 0.783 0.895 10.378 1.00 0.00 C ATOM 923 C THR A 54 1.298 1.136 8.961 1.00 0.00 C ATOM 924 O THR A 54 0.838 2.022 8.269 1.00 0.00 O ATOM 925 CB THR A 54 1.888 1.164 11.393 1.00 0.00 C ATOM 926 OG1 THR A 54 1.347 1.102 12.705 1.00 0.00 O ATOM 927 CG2 THR A 54 2.468 2.550 11.144 1.00 0.00 C ATOM 0 H THR A 54 0.514 -0.941 11.412 1.00 0.00 H new ATOM 0 HA THR A 54 -0.052 1.568 10.572 1.00 0.00 H new ATOM 0 HB THR A 54 2.674 0.416 11.291 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.056 1.273 13.360 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.259 2.749 11.867 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.878 2.597 10.135 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.682 3.298 11.251 1.00 0.00 H new ATOM 935 N GLN A 55 2.231 0.344 8.509 1.00 0.00 N ATOM 936 CA GLN A 55 2.745 0.532 7.127 1.00 0.00 C ATOM 937 C GLN A 55 1.555 0.592 6.171 1.00 0.00 C ATOM 938 O GLN A 55 1.505 1.413 5.277 1.00 0.00 O ATOM 939 CB GLN A 55 3.654 -0.637 6.748 1.00 0.00 C ATOM 940 CG GLN A 55 4.553 -0.224 5.581 1.00 0.00 C ATOM 941 CD GLN A 55 3.696 0.368 4.459 1.00 0.00 C ATOM 942 OE1 GLN A 55 2.901 -0.325 3.856 1.00 0.00 O ATOM 943 NE2 GLN A 55 3.826 1.631 4.154 1.00 0.00 N ATOM 0 H GLN A 55 2.656 -0.420 9.034 1.00 0.00 H new ATOM 0 HA GLN A 55 3.320 1.456 7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.262 -0.931 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.054 -1.503 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.288 0.508 5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.108 -1.087 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.494 2.212 4.661 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.260 2.037 3.409 1.00 0.00 H new ATOM 952 N VAL A 56 0.583 -0.263 6.362 1.00 0.00 N ATOM 953 CA VAL A 56 -0.608 -0.235 5.471 1.00 0.00 C ATOM 954 C VAL A 56 -1.224 1.157 5.532 1.00 0.00 C ATOM 955 O VAL A 56 -1.514 1.776 4.529 1.00 0.00 O ATOM 956 CB VAL A 56 -1.656 -1.241 5.953 1.00 0.00 C ATOM 957 CG1 VAL A 56 -2.864 -1.165 5.028 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.081 -2.658 5.926 1.00 0.00 C ATOM 0 H VAL A 56 0.565 -0.974 7.093 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.301 -0.488 4.456 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.947 -1.002 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.621 -1.877 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.278 -0.157 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.559 -1.407 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.836 -3.364 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.786 -2.912 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.210 -2.710 6.580 1.00 0.00 H new ATOM 968 N LYS A 57 -1.428 1.643 6.720 1.00 0.00 N ATOM 969 CA LYS A 57 -2.029 2.987 6.897 1.00 0.00 C ATOM 970 C LYS A 57 -1.122 4.046 6.269 1.00 0.00 C ATOM 971 O LYS A 57 -1.562 4.865 5.487 1.00 0.00 O ATOM 972 CB LYS A 57 -2.183 3.242 8.393 1.00 0.00 C ATOM 973 CG LYS A 57 -2.759 4.633 8.635 1.00 0.00 C ATOM 974 CD LYS A 57 -3.170 4.761 10.105 1.00 0.00 C ATOM 975 CE LYS A 57 -2.179 3.992 10.988 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.444 4.306 12.420 1.00 0.00 N ATOM 0 H LYS A 57 -1.200 1.158 7.588 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.002 3.038 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.837 2.489 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.215 3.151 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.020 5.394 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.621 4.800 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.192 5.811 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.177 4.370 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.277 2.920 10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.156 4.264 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.169 3.495 13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.892 5.141 12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.457 4.501 12.551 1.00 0.00 H new ATOM 990 N ILE A 58 0.142 4.039 6.596 1.00 0.00 N ATOM 991 CA ILE A 58 1.061 5.049 6.001 1.00 0.00 C ATOM 992 C ILE A 58 0.998 4.939 4.475 1.00 0.00 C ATOM 993 O ILE A 58 1.137 5.917 3.767 1.00 0.00 O ATOM 994 CB ILE A 58 2.494 4.794 6.476 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.523 4.679 8.006 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.390 5.955 6.040 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.508 5.647 8.622 1.00 0.00 C ATOM 0 H ILE A 58 0.575 3.382 7.245 1.00 0.00 H new ATOM 0 HA ILE A 58 0.758 6.048 6.314 1.00 0.00 H new ATOM 0 HB ILE A 58 2.856 3.864 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.293 3.657 8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.523 4.903 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.410 5.774 6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.377 6.037 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.022 6.883 6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.535 5.559 9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.758 6.668 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.508 5.403 8.263 1.00 0.00 H new ATOM 1009 N TRP A 59 0.777 3.757 3.963 1.00 0.00 N ATOM 1010 CA TRP A 59 0.693 3.589 2.485 1.00 0.00 C ATOM 1011 C TRP A 59 -0.522 4.362 1.966 1.00 0.00 C ATOM 1012 O TRP A 59 -0.422 5.142 1.040 1.00 0.00 O ATOM 1013 CB TRP A 59 0.545 2.105 2.143 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.014 1.963 0.765 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.717 1.944 -0.373 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.406 1.817 0.360 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.137 1.798 -1.450 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.456 1.715 -1.051 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.616 1.764 1.072 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.665 1.566 -1.730 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -3.836 1.614 0.392 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -3.859 1.515 -1.006 1.00 0.00 C ATOM 0 H TRP A 59 0.651 2.902 4.505 1.00 0.00 H new ATOM 0 HA TRP A 59 1.600 3.972 2.018 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.513 1.608 2.207 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.111 1.619 2.865 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.792 2.029 -0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.170 1.757 -2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.608 1.839 2.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.678 1.491 -2.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.761 1.575 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.800 1.399 -1.524 1.00 0.00 H new ATOM 1033 N PHE A 60 -1.668 4.162 2.563 1.00 0.00 N ATOM 1034 CA PHE A 60 -2.881 4.899 2.106 1.00 0.00 C ATOM 1035 C PHE A 60 -2.499 6.352 1.824 1.00 0.00 C ATOM 1036 O PHE A 60 -2.595 6.829 0.711 1.00 0.00 O ATOM 1037 CB PHE A 60 -3.947 4.866 3.205 1.00 0.00 C ATOM 1038 CG PHE A 60 -4.827 3.652 3.031 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -5.974 3.725 2.231 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -4.498 2.453 3.672 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -6.792 2.600 2.074 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -5.315 1.327 3.516 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.462 1.400 2.716 1.00 0.00 C ATOM 0 H PHE A 60 -1.815 3.523 3.344 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.276 4.432 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.471 4.843 4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.551 5.772 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.228 4.650 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.613 2.396 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.677 2.657 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.061 0.402 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.092 0.531 2.594 1.00 0.00 H new ATOM 1053 N GLN A 61 -2.056 7.056 2.830 1.00 0.00 N ATOM 1054 CA GLN A 61 -1.656 8.476 2.635 1.00 0.00 C ATOM 1055 C GLN A 61 -1.018 8.638 1.254 1.00 0.00 C ATOM 1056 O GLN A 61 -1.305 9.572 0.532 1.00 0.00 O ATOM 1057 CB GLN A 61 -0.648 8.867 3.715 1.00 0.00 C ATOM 1058 CG GLN A 61 -0.171 10.302 3.480 1.00 0.00 C ATOM 1059 CD GLN A 61 0.549 10.809 4.731 1.00 0.00 C ATOM 1060 OE1 GLN A 61 1.613 11.389 4.640 1.00 0.00 O ATOM 1061 NE2 GLN A 61 0.011 10.612 5.904 1.00 0.00 N ATOM 0 H GLN A 61 -1.954 6.706 3.782 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.533 9.119 2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.105 8.782 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.201 8.184 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.499 10.338 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.020 10.946 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.882 10.125 5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.484 10.945 6.744 1.00 0.00 H new ATOM 1070 N ASN A 62 -0.156 7.732 0.881 1.00 0.00 N ATOM 1071 CA ASN A 62 0.497 7.835 -0.453 1.00 0.00 C ATOM 1072 C ASN A 62 -0.577 7.915 -1.541 1.00 0.00 C ATOM 1073 O ASN A 62 -0.545 8.779 -2.392 1.00 0.00 O ATOM 1074 CB ASN A 62 1.372 6.600 -0.689 1.00 0.00 C ATOM 1075 CG ASN A 62 2.624 7.004 -1.470 1.00 0.00 C ATOM 1076 OD1 ASN A 62 2.706 8.101 -1.987 1.00 0.00 O ATOM 1077 ND2 ASN A 62 3.611 6.157 -1.578 1.00 0.00 N ATOM 0 H ASN A 62 0.123 6.927 1.441 1.00 0.00 H new ATOM 0 HA ASN A 62 1.116 8.731 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.654 6.153 0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.813 5.845 -1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.451 6.416 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.543 5.236 -1.144 1.00 0.00 H new ATOM 1084 N HIS A 63 -1.530 7.022 -1.518 1.00 0.00 N ATOM 1085 CA HIS A 63 -2.607 7.053 -2.551 1.00 0.00 C ATOM 1086 C HIS A 63 -3.694 8.040 -2.124 1.00 0.00 C ATOM 1087 O HIS A 63 -4.197 8.805 -2.923 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.221 5.656 -2.694 1.00 0.00 C ATOM 1089 CG HIS A 63 -2.921 5.108 -4.063 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -2.473 3.812 -4.258 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -3.004 5.668 -5.313 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -2.305 3.635 -5.582 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -2.616 4.737 -6.271 1.00 0.00 N ATOM 0 H HIS A 63 -1.610 6.273 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.183 7.365 -3.506 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.819 4.991 -1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.299 5.704 -2.539 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.302 3.118 -3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.322 6.679 -5.522 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.961 2.715 -6.032 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.063 8.025 -0.872 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.120 8.960 -0.395 1.00 0.00 C ATOM 1103 C ARG A 64 -5.002 10.286 -1.146 1.00 0.00 C ATOM 1104 O ARG A 64 -5.980 10.841 -1.597 1.00 0.00 O ATOM 1105 CB ARG A 64 -4.949 9.202 1.106 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.300 9.040 1.806 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.233 10.176 1.385 1.00 0.00 C ATOM 1108 NE ARG A 64 -6.887 11.410 2.146 1.00 0.00 N ATOM 1109 CZ ARG A 64 -7.339 12.568 1.750 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -8.094 12.645 0.687 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -7.038 13.650 2.417 1.00 0.00 N ATOM 0 H ARG A 64 -3.678 7.405 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.102 8.525 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.227 8.498 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.554 10.203 1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.742 8.078 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.164 9.049 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.141 10.358 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.270 9.898 1.574 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.297 11.349 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.330 11.800 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.448 13.550 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.449 13.590 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.392 14.555 2.107 1.00 0.00 H new ATOM 1125 N TYR A 65 -3.809 10.802 -1.274 1.00 0.00 N ATOM 1126 CA TYR A 65 -3.618 12.100 -1.994 1.00 0.00 C ATOM 1127 C TYR A 65 -3.850 11.920 -3.503 1.00 0.00 C ATOM 1128 O TYR A 65 -4.516 12.721 -4.128 1.00 0.00 O ATOM 1129 CB TYR A 65 -2.192 12.603 -1.756 1.00 0.00 C ATOM 1130 CG TYR A 65 -2.219 14.087 -1.481 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -2.481 14.987 -2.521 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -1.977 14.563 -0.187 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -2.503 16.363 -2.266 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -2.000 15.940 0.068 1.00 0.00 C ATOM 1135 CZ TYR A 65 -2.262 16.840 -0.972 1.00 0.00 C ATOM 1136 OH TYR A 65 -2.284 18.196 -0.721 1.00 0.00 O ATOM 0 H TYR A 65 -2.954 10.381 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.339 12.824 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.745 12.075 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.572 12.396 -2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.666 14.620 -3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.773 13.869 0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.706 17.057 -3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.816 16.307 1.067 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.098 18.356 0.228 1.00 0.00 H new ATOM 1146 N LYS A 66 -3.301 10.896 -4.101 1.00 0.00 N ATOM 1147 CA LYS A 66 -3.504 10.702 -5.567 1.00 0.00 C ATOM 1148 C LYS A 66 -4.886 10.097 -5.824 1.00 0.00 C ATOM 1149 O LYS A 66 -5.604 10.532 -6.703 1.00 0.00 O ATOM 1150 CB LYS A 66 -2.427 9.767 -6.117 1.00 0.00 C ATOM 1151 CG LYS A 66 -1.141 9.941 -5.311 1.00 0.00 C ATOM 1152 CD LYS A 66 0.021 9.282 -6.053 1.00 0.00 C ATOM 1153 CE LYS A 66 0.032 7.780 -5.758 1.00 0.00 C ATOM 1154 NZ LYS A 66 1.183 7.458 -4.869 1.00 0.00 N ATOM 0 H LYS A 66 -2.725 10.190 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.435 11.668 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.766 8.732 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.242 9.987 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.935 11.001 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.255 9.494 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.076 9.452 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.965 9.731 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.903 7.485 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.108 7.216 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.357 6.433 -4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.031 7.959 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.965 7.757 -3.897 1.00 0.00 H new ATOM 1168 N THR A 67 -5.270 9.102 -5.069 1.00 0.00 N ATOM 1169 CA THR A 67 -6.610 8.490 -5.280 1.00 0.00 C ATOM 1170 C THR A 67 -7.624 9.607 -5.527 1.00 0.00 C ATOM 1171 O THR A 67 -8.718 9.379 -6.000 1.00 0.00 O ATOM 1172 CB THR A 67 -7.007 7.694 -4.033 1.00 0.00 C ATOM 1173 OG1 THR A 67 -6.457 8.319 -2.881 1.00 0.00 O ATOM 1174 CG2 THR A 67 -6.471 6.267 -4.146 1.00 0.00 C ATOM 0 H THR A 67 -4.715 8.690 -4.319 1.00 0.00 H new ATOM 0 HA THR A 67 -6.586 7.818 -6.138 1.00 0.00 H new ATOM 0 HB THR A 67 -8.093 7.666 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.800 8.992 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.754 5.701 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.892 5.789 -5.031 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.384 6.292 -4.230 1.00 0.00 H new ATOM 1182 N LYS A 68 -7.252 10.817 -5.213 1.00 0.00 N ATOM 1183 CA LYS A 68 -8.168 11.971 -5.428 1.00 0.00 C ATOM 1184 C LYS A 68 -7.995 12.477 -6.860 1.00 0.00 C ATOM 1185 O LYS A 68 -8.947 12.608 -7.603 1.00 0.00 O ATOM 1186 CB LYS A 68 -7.811 13.085 -4.441 1.00 0.00 C ATOM 1187 CG LYS A 68 -7.223 12.466 -3.175 1.00 0.00 C ATOM 1188 CD LYS A 68 -6.787 13.573 -2.215 1.00 0.00 C ATOM 1189 CE LYS A 68 -7.931 14.571 -2.032 1.00 0.00 C ATOM 1190 NZ LYS A 68 -9.224 13.835 -1.948 1.00 0.00 N ATOM 0 H LYS A 68 -6.345 11.057 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.202 11.666 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.093 13.770 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.699 13.668 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.962 11.825 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.371 11.835 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.507 13.145 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.906 14.082 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.775 15.158 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.953 15.272 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.846 14.304 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.682 13.831 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.047 12.856 -1.645 1.00 0.00 H new ATOM 1204 N ARG A 69 -6.782 12.754 -7.254 1.00 0.00 N ATOM 1205 CA ARG A 69 -6.539 13.240 -8.637 1.00 0.00 C ATOM 1206 C ARG A 69 -7.049 12.197 -9.634 1.00 0.00 C ATOM 1207 O ARG A 69 -7.434 12.516 -10.741 1.00 0.00 O ATOM 1208 CB ARG A 69 -5.038 13.448 -8.840 1.00 0.00 C ATOM 1209 CG ARG A 69 -4.642 14.839 -8.342 1.00 0.00 C ATOM 1210 CD ARG A 69 -5.153 15.037 -6.913 1.00 0.00 C ATOM 1211 NE ARG A 69 -4.475 16.216 -6.303 1.00 0.00 N ATOM 1212 CZ ARG A 69 -4.956 16.752 -5.215 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -6.029 16.256 -4.665 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -4.364 17.784 -4.678 1.00 0.00 N ATOM 0 H ARG A 69 -5.948 12.664 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.063 14.183 -8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.478 12.684 -8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.785 13.343 -9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.558 14.952 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.059 15.603 -8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.233 15.187 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.959 14.144 -6.319 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.636 16.603 -6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.491 15.450 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.406 16.674 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.525 18.172 -5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.741 18.203 -3.827 1.00 0.00 H new ATOM 1228 N ALA A 70 -7.055 10.951 -9.245 1.00 0.00 N ATOM 1229 CA ALA A 70 -7.539 9.883 -10.163 1.00 0.00 C ATOM 1230 C ALA A 70 -9.005 10.142 -10.520 1.00 0.00 C ATOM 1231 O ALA A 70 -9.527 9.595 -11.470 1.00 0.00 O ATOM 1232 CB ALA A 70 -7.415 8.524 -9.471 1.00 0.00 C ATOM 0 H ALA A 70 -6.745 10.627 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.939 9.885 -11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.769 7.741 -10.141 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.371 8.339 -9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.016 8.522 -8.562 1.00 0.00 H new ATOM 1238 N GLN A 71 -9.671 10.973 -9.765 1.00 0.00 N ATOM 1239 CA GLN A 71 -11.102 11.265 -10.062 1.00 0.00 C ATOM 1240 C GLN A 71 -11.195 12.180 -11.285 1.00 0.00 C ATOM 1241 O GLN A 71 -12.008 11.978 -12.164 1.00 0.00 O ATOM 1242 CB GLN A 71 -11.742 11.963 -8.858 1.00 0.00 C ATOM 1243 CG GLN A 71 -12.202 10.913 -7.843 1.00 0.00 C ATOM 1244 CD GLN A 71 -12.923 11.604 -6.684 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -14.137 11.601 -6.621 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -12.224 12.200 -5.758 1.00 0.00 N ATOM 0 H GLN A 71 -9.286 11.462 -8.956 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.626 10.331 -10.265 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.026 12.642 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.590 12.566 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.867 10.195 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.345 10.353 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.205 12.203 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.696 12.663 -4.981 1.00 0.00 H new ATOM 1255 N ASN A 72 -10.366 13.186 -11.348 1.00 0.00 N ATOM 1256 CA ASN A 72 -10.406 14.115 -12.511 1.00 0.00 C ATOM 1257 C ASN A 72 -10.216 13.326 -13.808 1.00 0.00 C ATOM 1258 O ASN A 72 -10.801 13.637 -14.827 1.00 0.00 O ATOM 1259 CB ASN A 72 -9.287 15.149 -12.377 1.00 0.00 C ATOM 1260 CG ASN A 72 -9.188 15.968 -13.665 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -8.587 15.538 -14.628 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -9.759 17.141 -13.723 1.00 0.00 N ATOM 0 H ASN A 72 -9.662 13.404 -10.643 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.371 14.622 -12.534 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.485 15.806 -11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.339 14.650 -12.178 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.700 17.695 -14.577 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.264 17.503 -12.914 1.00 0.00 H new ATOM 1269 N GLU A 73 -9.422 12.291 -13.774 1.00 0.00 N ATOM 1270 CA GLU A 73 -9.219 11.468 -14.997 1.00 0.00 C ATOM 1271 C GLU A 73 -10.314 10.422 -15.009 1.00 0.00 C ATOM 1272 O GLU A 73 -10.153 9.328 -15.512 1.00 0.00 O ATOM 1273 CB GLU A 73 -7.849 10.791 -14.947 1.00 0.00 C ATOM 1274 CG GLU A 73 -6.778 11.832 -14.612 1.00 0.00 C ATOM 1275 CD GLU A 73 -5.447 11.128 -14.348 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -5.476 10.004 -13.877 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -4.419 11.727 -14.622 1.00 0.00 O ATOM 0 H GLU A 73 -8.905 11.981 -12.951 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.258 12.084 -15.895 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.850 10.000 -14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.628 10.322 -15.906 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.671 12.537 -15.436 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.077 12.408 -13.736 1.00 0.00 H new ATOM 1284 N LYS A 74 -11.413 10.743 -14.399 1.00 0.00 N ATOM 1285 CA LYS A 74 -12.518 9.770 -14.295 1.00 0.00 C ATOM 1286 C LYS A 74 -13.861 10.477 -14.489 1.00 0.00 C ATOM 1287 O LYS A 74 -13.922 11.680 -14.650 1.00 0.00 O ATOM 1288 CB LYS A 74 -12.436 9.170 -12.897 1.00 0.00 C ATOM 1289 CG LYS A 74 -12.427 7.640 -12.984 1.00 0.00 C ATOM 1290 CD LYS A 74 -11.001 7.149 -13.244 1.00 0.00 C ATOM 1291 CE LYS A 74 -11.045 5.719 -13.787 1.00 0.00 C ATOM 1292 NZ LYS A 74 -9.743 5.394 -14.434 1.00 0.00 N ATOM 0 H LYS A 74 -11.592 11.648 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.438 8.998 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.534 9.519 -12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.284 9.504 -12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.807 7.211 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.089 7.307 -13.784 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.503 7.805 -13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.420 7.182 -12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.246 5.017 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.857 5.617 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.772 4.422 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.569 6.057 -15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.978 5.476 -13.734 1.00 0.00 H new ATOM 1306 N GLY A 75 -14.938 9.740 -14.474 1.00 0.00 N ATOM 1307 CA GLY A 75 -16.275 10.369 -14.657 1.00 0.00 C ATOM 1308 C GLY A 75 -16.997 9.705 -15.831 1.00 0.00 C ATOM 1309 O GLY A 75 -18.149 9.330 -15.732 1.00 0.00 O ATOM 0 H GLY A 75 -14.949 8.729 -14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.866 10.264 -13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.163 11.437 -14.843 1.00 0.00 H new ATOM 1313 N TYR A 76 -16.331 9.556 -16.944 1.00 0.00 N ATOM 1314 CA TYR A 76 -16.980 8.915 -18.122 1.00 0.00 C ATOM 1315 C TYR A 76 -17.083 7.406 -17.890 1.00 0.00 C ATOM 1316 O TYR A 76 -18.090 6.791 -18.179 1.00 0.00 O ATOM 1317 CB TYR A 76 -16.144 9.182 -19.375 1.00 0.00 C ATOM 1318 CG TYR A 76 -16.006 10.671 -19.580 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -17.122 11.432 -19.947 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -14.764 11.291 -19.401 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -16.995 12.812 -20.138 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -14.637 12.672 -19.591 1.00 0.00 C ATOM 1323 CZ TYR A 76 -15.753 13.433 -19.959 1.00 0.00 C ATOM 1324 OH TYR A 76 -15.629 14.795 -20.146 1.00 0.00 O ATOM 0 H TYR A 76 -15.365 9.851 -17.088 1.00 0.00 H new ATOM 0 HA TYR A 76 -17.978 9.331 -18.256 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -15.160 8.725 -19.272 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.617 8.727 -20.245 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.081 10.954 -20.083 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.903 10.704 -19.116 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.856 13.399 -20.424 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.678 13.150 -19.454 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.701 15.065 -19.981 1.00 0.00 H new ATOM 1334 N GLU A 77 -16.049 6.806 -17.368 1.00 0.00 N ATOM 1335 CA GLU A 77 -16.086 5.339 -17.116 1.00 0.00 C ATOM 1336 C GLU A 77 -15.982 4.589 -18.448 1.00 0.00 C ATOM 1337 O GLU A 77 -16.460 3.481 -18.585 1.00 0.00 O ATOM 1338 CB GLU A 77 -17.403 4.973 -16.425 1.00 0.00 C ATOM 1339 CG GLU A 77 -17.112 4.172 -15.154 1.00 0.00 C ATOM 1340 CD GLU A 77 -18.428 3.835 -14.452 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -19.141 4.759 -14.095 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -18.703 2.659 -14.281 1.00 0.00 O ATOM 0 H GLU A 77 -15.179 7.269 -17.105 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.250 5.059 -16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.959 5.877 -16.177 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -18.029 4.389 -17.100 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.575 3.257 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.469 4.747 -14.488 1.00 0.00 H new ATOM 1349 N GLY A 78 -15.360 5.185 -19.429 1.00 0.00 N ATOM 1350 CA GLY A 78 -15.225 4.504 -20.749 1.00 0.00 C ATOM 1351 C GLY A 78 -14.974 5.546 -21.841 1.00 0.00 C ATOM 1352 O GLY A 78 -15.895 6.086 -22.421 1.00 0.00 O ATOM 0 H GLY A 78 -14.940 6.113 -19.374 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.403 3.789 -20.718 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.130 3.939 -20.972 1.00 0.00 H new ATOM 1356 N HIS A 79 -13.733 5.831 -22.127 1.00 0.00 N ATOM 1357 CA HIS A 79 -13.422 6.837 -23.182 1.00 0.00 C ATOM 1358 C HIS A 79 -12.268 6.326 -24.049 1.00 0.00 C ATOM 1359 O HIS A 79 -11.153 6.793 -23.935 1.00 0.00 O ATOM 1360 CB HIS A 79 -13.018 8.157 -22.524 1.00 0.00 C ATOM 1361 CG HIS A 79 -12.644 9.153 -23.587 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -11.566 10.012 -23.449 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -13.193 9.433 -24.814 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -11.500 10.762 -24.565 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -12.469 10.449 -25.430 1.00 0.00 N ATOM 0 H HIS A 79 -12.921 5.411 -21.676 1.00 0.00 H new ATOM 0 HA HIS A 79 -14.303 6.995 -23.804 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -13.841 8.543 -21.923 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -12.178 7.997 -21.849 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -14.056 8.940 -25.237 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.755 11.524 -24.740 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.641 10.865 -26.345 1.00 0.00 H new ATOM 1373 N PRO A 80 -12.579 5.374 -24.887 1.00 0.00 N ATOM 1374 CA PRO A 80 -11.524 4.818 -25.763 1.00 0.00 C ATOM 1375 C PRO A 80 -10.859 5.939 -26.567 1.00 0.00 C ATOM 1376 O PRO A 80 -9.893 6.501 -26.075 1.00 0.00 O ATOM 1377 CB PRO A 80 -12.238 3.838 -26.701 1.00 0.00 C ATOM 1378 CG PRO A 80 -13.738 3.849 -26.333 1.00 0.00 C ATOM 1379 CD PRO A 80 -13.928 4.854 -25.190 1.00 0.00 C ATOM 1380 OXT PRO A 80 -11.325 6.216 -27.660 1.00 0.00 O ATOM 0 HA PRO A 80 -10.740 4.324 -25.189 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.097 4.132 -27.741 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.825 2.835 -26.594 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.342 4.131 -27.195 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.064 2.855 -26.027 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.601 5.659 -25.484 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.368 4.374 -24.316 1.00 0.00 H new TER 1388 PRO A 80