USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot 64:sc= -1.49! USER MOD Set 1.2: A 37 CYS SG : rot 48:sc= 0.00414 USER MOD Set 1.3: A 39 GLN : amide:sc= -3.17! C(o=-8.4!,f=-14!) USER MOD Set 1.4: A 54 CYS SG : rot -124:sc= -2.1! USER MOD Set 1.5: A 58 HIS : no HE2:sc= -1.63! K(o=-8.4!,f=-9.9) USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= 0.873 F(o=0.24,f=1.6) USER MOD Set 2.2: A 71 SER OG : rot -168:sc= 0.728 USER MOD Set 3.1: A 5 CYS SG : rot 85:sc= 0.569 USER MOD Set 3.2: A 8 CYS SG : rot -120:sc= -3.33! USER MOD Set 3.3: A 21 CYS SG : rot -77:sc= -3.45! USER MOD Set 3.4: A 24 CYS SG : rot 162:sc= -5.18! USER MOD Single : A 4 THR OG1 : rot 40:sc= 0.941 USER MOD Single : A 9 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0883 F(o=-2.2!,f=-0.088) USER MOD Single : A 18 THR OG1 : rot -84:sc= 1.28 USER MOD Single : A 20 HIS : no HE2:sc= 0.0789 K(o=0.079,f=-4.9!) USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.512 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc=-0.00546 (180deg=-0.115) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.829 F(o=-2.4!,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 15.558 3.701 2.970 1.00 0.00 N ATOM 21 CA GLU A 2 14.530 4.706 3.201 1.00 0.00 C ATOM 22 C GLU A 2 13.543 4.716 2.049 1.00 0.00 C ATOM 23 O GLU A 2 13.877 4.304 0.938 1.00 0.00 O ATOM 24 CB GLU A 2 15.148 6.097 3.349 1.00 0.00 C ATOM 25 CG GLU A 2 15.879 6.308 4.658 1.00 0.00 C ATOM 26 CD GLU A 2 14.974 6.119 5.857 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.162 7.023 6.143 1.00 0.00 O ATOM 28 OE2 GLU A 2 15.056 5.060 6.514 1.00 0.00 O ATOM 0 HA GLU A 2 14.012 4.452 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.842 6.265 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.360 6.845 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.714 5.610 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.301 7.313 4.678 1.00 0.00 H new ATOM 35 N ILE A 3 12.329 5.174 2.312 1.00 0.00 N ATOM 36 CA ILE A 3 11.348 5.329 1.254 1.00 0.00 C ATOM 37 C ILE A 3 11.659 6.582 0.444 1.00 0.00 C ATOM 38 O ILE A 3 11.819 7.670 0.997 1.00 0.00 O ATOM 39 CB ILE A 3 9.892 5.395 1.784 1.00 0.00 C ATOM 40 CG1 ILE A 3 9.738 6.487 2.849 1.00 0.00 C ATOM 41 CG2 ILE A 3 9.466 4.043 2.340 1.00 0.00 C ATOM 42 CD1 ILE A 3 8.316 6.659 3.345 1.00 0.00 C ATOM 0 H ILE A 3 12.003 5.442 3.241 1.00 0.00 H new ATOM 0 HA ILE A 3 11.417 4.443 0.623 1.00 0.00 H new ATOM 0 HB ILE A 3 9.241 5.649 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.382 6.250 3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.087 7.434 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.442 4.107 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.522 3.292 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.128 3.761 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.286 7.448 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.669 6.928 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.969 5.725 3.787 1.00 0.00 H new ATOM 54 N THR A 4 11.789 6.413 -0.857 1.00 0.00 N ATOM 55 CA THR A 4 12.060 7.522 -1.748 1.00 0.00 C ATOM 56 C THR A 4 11.583 7.197 -3.150 1.00 0.00 C ATOM 57 O THR A 4 11.679 6.052 -3.597 1.00 0.00 O ATOM 58 CB THR A 4 13.566 7.895 -1.777 1.00 0.00 C ATOM 59 OG1 THR A 4 13.843 8.789 -2.870 1.00 0.00 O ATOM 60 CG2 THR A 4 14.443 6.659 -1.893 1.00 0.00 C ATOM 0 H THR A 4 11.710 5.509 -1.323 1.00 0.00 H new ATOM 0 HA THR A 4 11.514 8.384 -1.366 1.00 0.00 H new ATOM 0 HB THR A 4 13.798 8.393 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.115 9.439 -2.953 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.491 6.957 -1.911 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.266 6.006 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.202 6.127 -2.813 1.00 0.00 H new ATOM 68 N CYS A 5 11.038 8.197 -3.824 1.00 0.00 N ATOM 69 CA CYS A 5 10.648 8.058 -5.211 1.00 0.00 C ATOM 70 C CYS A 5 11.878 7.722 -6.052 1.00 0.00 C ATOM 71 O CYS A 5 12.888 8.419 -5.978 1.00 0.00 O ATOM 72 CB CYS A 5 9.966 9.345 -5.684 1.00 0.00 C ATOM 73 SG CYS A 5 10.579 10.858 -4.887 1.00 0.00 S ATOM 0 H CYS A 5 10.856 9.119 -3.426 1.00 0.00 H new ATOM 0 HA CYS A 5 9.932 7.243 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 5 10.100 9.437 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.895 9.262 -5.502 1.00 0.00 H new ATOM 0 HG CYS A 5 11.638 11.280 -5.513 1.00 0.00 H new ATOM 78 N PRO A 6 11.821 6.622 -6.824 1.00 0.00 N ATOM 79 CA PRO A 6 12.980 6.106 -7.570 1.00 0.00 C ATOM 80 C PRO A 6 13.526 7.098 -8.596 1.00 0.00 C ATOM 81 O PRO A 6 14.679 7.521 -8.509 1.00 0.00 O ATOM 82 CB PRO A 6 12.436 4.852 -8.271 1.00 0.00 C ATOM 83 CG PRO A 6 10.952 4.998 -8.252 1.00 0.00 C ATOM 84 CD PRO A 6 10.626 5.783 -7.017 1.00 0.00 C ATOM 0 HA PRO A 6 13.821 5.909 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.810 4.780 -9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.748 3.946 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.600 5.514 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.465 4.023 -8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.728 6.386 -7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.449 5.132 -6.161 1.00 0.00 H new ATOM 92 N VAL A 7 12.693 7.481 -9.551 1.00 0.00 N ATOM 93 CA VAL A 7 13.118 8.376 -10.623 1.00 0.00 C ATOM 94 C VAL A 7 13.344 9.796 -10.108 1.00 0.00 C ATOM 95 O VAL A 7 14.092 10.572 -10.697 1.00 0.00 O ATOM 96 CB VAL A 7 12.096 8.392 -11.779 1.00 0.00 C ATOM 97 CG1 VAL A 7 11.988 7.010 -12.405 1.00 0.00 C ATOM 98 CG2 VAL A 7 10.732 8.864 -11.297 1.00 0.00 C ATOM 0 H VAL A 7 11.718 7.188 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 7 14.065 7.992 -11.002 1.00 0.00 H new ATOM 0 HB VAL A 7 12.448 9.095 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.264 7.035 -13.219 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.961 6.710 -12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.662 6.294 -11.651 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.031 8.865 -12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.368 8.192 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.818 9.873 -10.894 1.00 0.00 H new ATOM 108 N CYS A 8 12.701 10.119 -9.001 1.00 0.00 N ATOM 109 CA CYS A 8 12.864 11.414 -8.366 1.00 0.00 C ATOM 110 C CYS A 8 13.491 11.240 -6.980 1.00 0.00 C ATOM 111 O CYS A 8 12.939 11.678 -5.959 1.00 0.00 O ATOM 112 CB CYS A 8 11.509 12.125 -8.294 1.00 0.00 C ATOM 113 SG CYS A 8 10.071 11.026 -8.436 1.00 0.00 S ATOM 0 H CYS A 8 12.054 9.495 -8.519 1.00 0.00 H new ATOM 0 HA CYS A 8 13.538 12.035 -8.956 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.446 12.664 -7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.461 12.869 -9.089 1.00 0.00 H new ATOM 0 HG CYS A 8 9.361 11.371 -9.469 1.00 0.00 H new ATOM 118 N HIS A 9 14.659 10.602 -6.973 1.00 0.00 N ATOM 119 CA HIS A 9 15.352 10.192 -5.749 1.00 0.00 C ATOM 120 C HIS A 9 15.614 11.360 -4.798 1.00 0.00 C ATOM 121 O HIS A 9 16.172 12.384 -5.192 1.00 0.00 O ATOM 122 CB HIS A 9 16.675 9.511 -6.122 1.00 0.00 C ATOM 123 CG HIS A 9 17.467 8.997 -4.954 1.00 0.00 C ATOM 124 ND1 HIS A 9 17.420 7.687 -4.529 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.348 9.619 -4.135 1.00 0.00 C ATOM 126 CE1 HIS A 9 18.233 7.528 -3.504 1.00 0.00 C ATOM 127 NE2 HIS A 9 18.812 8.685 -3.244 1.00 0.00 N ATOM 0 H HIS A 9 15.159 10.351 -7.826 1.00 0.00 H new ATOM 0 HA HIS A 9 14.701 9.496 -5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.463 8.679 -6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.289 10.220 -6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.633 10.660 -4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.398 6.606 -2.967 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.492 8.856 -2.503 1.00 0.00 H new ATOM 136 N HIS A 10 15.209 11.181 -3.540 1.00 0.00 N ATOM 137 CA HIS A 10 15.472 12.146 -2.475 1.00 0.00 C ATOM 138 C HIS A 10 14.894 11.611 -1.173 1.00 0.00 C ATOM 139 O HIS A 10 15.620 11.374 -0.209 1.00 0.00 O ATOM 140 CB HIS A 10 14.867 13.513 -2.814 1.00 0.00 C ATOM 141 CG HIS A 10 15.359 14.647 -1.968 1.00 0.00 C ATOM 142 ND1 HIS A 10 14.577 15.287 -1.030 1.00 0.00 N ATOM 143 CD2 HIS A 10 16.545 15.297 -1.971 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.260 16.282 -0.501 1.00 0.00 C ATOM 145 NE2 HIS A 10 16.458 16.311 -1.052 1.00 0.00 N ATOM 0 H HIS A 10 14.688 10.360 -3.232 1.00 0.00 H new ATOM 0 HA HIS A 10 16.548 12.282 -2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 10 15.080 13.739 -3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.783 13.449 -2.716 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.402 15.061 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.899 16.961 0.257 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.198 16.978 -0.831 1.00 0.00 H new ATOM 154 N ALA A 11 13.584 11.410 -1.185 1.00 0.00 N ATOM 155 CA ALA A 11 12.858 10.794 -0.076 1.00 0.00 C ATOM 156 C ALA A 11 11.390 10.607 -0.460 1.00 0.00 C ATOM 157 O ALA A 11 11.014 10.835 -1.609 1.00 0.00 O ATOM 158 CB ALA A 11 12.975 11.635 1.192 1.00 0.00 C ATOM 0 H ALA A 11 12.987 11.671 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 11 13.301 9.820 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.425 11.153 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.024 11.728 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.559 12.626 1.011 1.00 0.00 H new ATOM 164 N LEU A 12 10.578 10.154 0.484 1.00 0.00 N ATOM 165 CA LEU A 12 9.131 10.085 0.302 1.00 0.00 C ATOM 166 C LEU A 12 8.421 10.396 1.607 1.00 0.00 C ATOM 167 O LEU A 12 8.888 10.025 2.685 1.00 0.00 O ATOM 168 CB LEU A 12 8.677 8.707 -0.195 1.00 0.00 C ATOM 169 CG LEU A 12 8.714 8.501 -1.710 1.00 0.00 C ATOM 170 CD1 LEU A 12 8.165 7.126 -2.068 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.921 9.589 -2.421 1.00 0.00 C ATOM 0 H LEU A 12 10.899 9.825 1.394 1.00 0.00 H new ATOM 0 HA LEU A 12 8.871 10.825 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.305 7.948 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.658 8.534 0.152 1.00 0.00 H new ATOM 0 HG LEU A 12 9.751 8.562 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.197 6.992 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.770 6.357 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.134 7.044 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.960 9.423 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.884 9.560 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.350 10.563 -2.188 1.00 0.00 H new ATOM 183 N GLU A 13 7.293 11.074 1.503 1.00 0.00 N ATOM 184 CA GLU A 13 6.497 11.400 2.667 1.00 0.00 C ATOM 185 C GLU A 13 5.238 10.541 2.696 1.00 0.00 C ATOM 186 O GLU A 13 4.300 10.763 1.924 1.00 0.00 O ATOM 187 CB GLU A 13 6.135 12.883 2.656 1.00 0.00 C ATOM 188 CG GLU A 13 5.330 13.324 3.862 1.00 0.00 C ATOM 189 CD GLU A 13 4.970 14.790 3.807 1.00 0.00 C ATOM 190 OE1 GLU A 13 4.142 15.167 2.953 1.00 0.00 O ATOM 191 OE2 GLU A 13 5.509 15.570 4.621 1.00 0.00 O ATOM 0 H GLU A 13 6.908 11.410 0.620 1.00 0.00 H new ATOM 0 HA GLU A 13 7.079 11.193 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.052 13.471 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.567 13.102 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.418 12.730 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.901 13.126 4.769 1.00 0.00 H new ATOM 198 N ARG A 14 5.228 9.540 3.562 1.00 0.00 N ATOM 199 CA ARG A 14 4.072 8.668 3.690 1.00 0.00 C ATOM 200 C ARG A 14 2.998 9.332 4.543 1.00 0.00 C ATOM 201 O ARG A 14 3.193 9.589 5.728 1.00 0.00 O ATOM 202 CB ARG A 14 4.461 7.295 4.261 1.00 0.00 C ATOM 203 CG ARG A 14 5.243 7.338 5.569 1.00 0.00 C ATOM 204 CD ARG A 14 5.555 5.932 6.067 1.00 0.00 C ATOM 205 NE ARG A 14 6.424 5.933 7.246 1.00 0.00 N ATOM 206 CZ ARG A 14 7.145 4.879 7.645 1.00 0.00 C ATOM 207 NH1 ARG A 14 7.038 3.716 7.013 1.00 0.00 N ATOM 208 NH2 ARG A 14 7.943 4.982 8.702 1.00 0.00 N ATOM 0 H ARG A 14 6.004 9.312 4.184 1.00 0.00 H new ATOM 0 HA ARG A 14 3.666 8.500 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.553 6.713 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.055 6.764 3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.171 7.890 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.668 7.875 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.623 5.420 6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.033 5.365 5.268 1.00 0.00 H new ATOM 0 HE ARG A 14 6.483 6.790 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.404 3.623 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.590 2.915 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.006 5.865 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.493 4.178 9.006 1.00 0.00 H new ATOM 222 N ASN A 15 1.870 9.636 3.919 1.00 0.00 N ATOM 223 CA ASN A 15 0.765 10.286 4.612 1.00 0.00 C ATOM 224 C ASN A 15 -0.174 9.244 5.201 1.00 0.00 C ATOM 225 O ASN A 15 -1.156 9.576 5.863 1.00 0.00 O ATOM 226 CB ASN A 15 -0.013 11.211 3.666 1.00 0.00 C ATOM 227 CG ASN A 15 0.709 12.515 3.350 1.00 0.00 C ATOM 228 OD1 ASN A 15 2.033 12.483 3.308 1.00 0.00 O flip ATOM 229 ND2 ASN A 15 0.074 13.546 3.137 1.00 0.00 N flip ATOM 0 H ASN A 15 1.694 9.443 2.933 1.00 0.00 H new ATOM 0 HA ASN A 15 1.183 10.890 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.210 10.680 2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.981 11.441 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.945 13.535 3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.566 14.412 2.920 1.00 0.00 H new ATOM 236 N GLY A 16 0.143 7.980 4.959 1.00 0.00 N ATOM 237 CA GLY A 16 -0.693 6.896 5.433 1.00 0.00 C ATOM 238 C GLY A 16 -1.551 6.333 4.324 1.00 0.00 C ATOM 239 O GLY A 16 -1.517 5.136 4.044 1.00 0.00 O ATOM 0 H GLY A 16 0.970 7.685 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.066 6.106 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.330 7.253 6.242 1.00 0.00 H new ATOM 243 N ASP A 17 -2.312 7.205 3.684 1.00 0.00 N ATOM 244 CA ASP A 17 -3.163 6.815 2.569 1.00 0.00 C ATOM 245 C ASP A 17 -2.375 6.829 1.264 1.00 0.00 C ATOM 246 O ASP A 17 -2.592 6.001 0.380 1.00 0.00 O ATOM 247 CB ASP A 17 -4.357 7.769 2.460 1.00 0.00 C ATOM 248 CG ASP A 17 -3.924 9.198 2.202 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.426 9.850 3.143 1.00 0.00 O ATOM 250 OD2 ASP A 17 -4.064 9.673 1.056 1.00 0.00 O ATOM 0 H ASP A 17 -2.359 8.196 3.919 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.525 5.803 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.012 7.438 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.939 7.728 3.381 1.00 0.00 H new ATOM 255 N THR A 18 -1.453 7.772 1.152 1.00 0.00 N ATOM 256 CA THR A 18 -0.676 7.935 -0.062 1.00 0.00 C ATOM 257 C THR A 18 0.782 8.250 0.246 1.00 0.00 C ATOM 258 O THR A 18 1.138 8.594 1.379 1.00 0.00 O ATOM 259 CB THR A 18 -1.262 9.060 -0.945 1.00 0.00 C ATOM 260 OG1 THR A 18 -1.686 10.157 -0.123 1.00 0.00 O ATOM 261 CG2 THR A 18 -2.436 8.557 -1.777 1.00 0.00 C ATOM 0 H THR A 18 -1.225 8.437 1.891 1.00 0.00 H new ATOM 0 HA THR A 18 -0.725 6.989 -0.600 1.00 0.00 H new ATOM 0 HB THR A 18 -0.480 9.394 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.586 9.979 0.222 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.826 9.372 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.102 7.747 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.221 8.192 -1.115 1.00 0.00 H new ATOM 269 N ALA A 19 1.622 8.123 -0.768 1.00 0.00 N ATOM 270 CA ALA A 19 3.024 8.477 -0.658 1.00 0.00 C ATOM 271 C ALA A 19 3.287 9.714 -1.495 1.00 0.00 C ATOM 272 O ALA A 19 3.209 9.669 -2.721 1.00 0.00 O ATOM 273 CB ALA A 19 3.909 7.322 -1.105 1.00 0.00 C ATOM 0 H ALA A 19 1.351 7.773 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 19 3.264 8.689 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.956 7.610 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.716 6.452 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.689 7.076 -2.144 1.00 0.00 H new ATOM 279 N HIS A 20 3.564 10.814 -0.826 1.00 0.00 N ATOM 280 CA HIS A 20 3.696 12.099 -1.491 1.00 0.00 C ATOM 281 C HIS A 20 5.155 12.378 -1.844 1.00 0.00 C ATOM 282 O HIS A 20 6.049 12.188 -1.016 1.00 0.00 O ATOM 283 CB HIS A 20 3.137 13.200 -0.582 1.00 0.00 C ATOM 284 CG HIS A 20 3.174 14.570 -1.182 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.195 15.053 -2.024 1.00 0.00 N ATOM 286 CD2 HIS A 20 4.078 15.566 -1.047 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.494 16.288 -2.378 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.632 16.625 -1.797 1.00 0.00 N ATOM 0 H HIS A 20 3.703 10.846 0.184 1.00 0.00 H new ATOM 0 HA HIS A 20 3.128 12.080 -2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.106 12.956 -0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.703 13.208 0.350 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.369 14.536 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.983 15.534 -0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.908 16.917 -3.032 1.00 0.00 H new ATOM 297 N CYS A 21 5.377 12.827 -3.073 1.00 0.00 N ATOM 298 CA CYS A 21 6.709 13.200 -3.521 1.00 0.00 C ATOM 299 C CYS A 21 7.083 14.593 -3.009 1.00 0.00 C ATOM 300 O CYS A 21 6.240 15.462 -2.830 1.00 0.00 O ATOM 301 CB CYS A 21 6.807 13.148 -5.049 1.00 0.00 C ATOM 302 SG CYS A 21 7.140 11.503 -5.728 1.00 0.00 S ATOM 0 H CYS A 21 4.648 12.941 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 21 7.416 12.480 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.874 13.519 -5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.596 13.827 -5.373 1.00 0.00 H new ATOM 0 HG CYS A 21 8.398 11.215 -5.571 1.00 0.00 H new ATOM 307 N GLU A 22 8.369 14.782 -2.818 1.00 0.00 N ATOM 308 CA GLU A 22 8.921 15.910 -2.086 1.00 0.00 C ATOM 309 C GLU A 22 8.945 17.178 -2.932 1.00 0.00 C ATOM 310 O GLU A 22 8.171 18.109 -2.707 1.00 0.00 O ATOM 311 CB GLU A 22 10.347 15.560 -1.638 1.00 0.00 C ATOM 312 CG GLU A 22 10.638 14.060 -1.645 1.00 0.00 C ATOM 313 CD GLU A 22 11.037 13.526 -3.024 1.00 0.00 C ATOM 314 OE1 GLU A 22 10.291 13.702 -3.989 1.00 0.00 O ATOM 315 OE2 GLU A 22 12.110 12.928 -3.182 1.00 0.00 O ATOM 0 H GLU A 22 9.080 14.143 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 22 8.285 16.104 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.059 16.063 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.509 15.949 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.439 13.849 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.755 13.524 -1.297 1.00 0.00 H new ATOM 322 N THR A 23 9.847 17.212 -3.899 1.00 0.00 N ATOM 323 CA THR A 23 10.013 18.384 -4.738 1.00 0.00 C ATOM 324 C THR A 23 9.415 18.126 -6.121 1.00 0.00 C ATOM 325 O THR A 23 9.449 18.976 -7.012 1.00 0.00 O ATOM 326 CB THR A 23 11.504 18.792 -4.827 1.00 0.00 C ATOM 327 OG1 THR A 23 11.660 19.968 -5.629 1.00 0.00 O ATOM 328 CG2 THR A 23 12.363 17.660 -5.373 1.00 0.00 C ATOM 0 H THR A 23 10.475 16.440 -4.121 1.00 0.00 H new ATOM 0 HA THR A 23 9.477 19.220 -4.288 1.00 0.00 H new ATOM 0 HB THR A 23 11.844 19.010 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.942 20.007 -6.295 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.403 17.983 -5.421 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.282 16.793 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.020 17.392 -6.372 1.00 0.00 H new ATOM 336 N CYS A 24 8.843 16.945 -6.277 1.00 0.00 N ATOM 337 CA CYS A 24 8.121 16.589 -7.482 1.00 0.00 C ATOM 338 C CYS A 24 6.637 16.452 -7.163 1.00 0.00 C ATOM 339 O CYS A 24 6.269 15.924 -6.116 1.00 0.00 O ATOM 340 CB CYS A 24 8.685 15.290 -8.061 1.00 0.00 C ATOM 341 SG CYS A 24 9.332 14.149 -6.811 1.00 0.00 S ATOM 0 H CYS A 24 8.867 16.208 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 24 8.242 17.372 -8.230 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.902 14.786 -8.628 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.482 15.533 -8.764 1.00 0.00 H new ATOM 0 HG CYS A 24 9.428 12.957 -7.320 1.00 0.00 H new ATOM 346 N ALA A 25 5.790 16.962 -8.042 1.00 0.00 N ATOM 347 CA ALA A 25 4.351 16.914 -7.824 1.00 0.00 C ATOM 348 C ALA A 25 3.789 15.544 -8.182 1.00 0.00 C ATOM 349 O ALA A 25 3.187 15.362 -9.240 1.00 0.00 O ATOM 350 CB ALA A 25 3.653 18.002 -8.624 1.00 0.00 C ATOM 0 H ALA A 25 6.072 17.414 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 25 4.165 17.089 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.579 17.950 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.025 18.978 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.854 17.859 -9.686 1.00 0.00 H new ATOM 356 N LYS A 26 4.019 14.577 -7.305 1.00 0.00 N ATOM 357 CA LYS A 26 3.551 13.214 -7.519 1.00 0.00 C ATOM 358 C LYS A 26 3.004 12.637 -6.216 1.00 0.00 C ATOM 359 O LYS A 26 3.541 12.890 -5.137 1.00 0.00 O ATOM 360 CB LYS A 26 4.696 12.330 -8.038 1.00 0.00 C ATOM 361 CG LYS A 26 5.425 12.903 -9.247 1.00 0.00 C ATOM 362 CD LYS A 26 6.648 12.075 -9.614 1.00 0.00 C ATOM 363 CE LYS A 26 6.268 10.760 -10.274 1.00 0.00 C ATOM 364 NZ LYS A 26 5.729 10.959 -11.646 1.00 0.00 N ATOM 0 H LYS A 26 4.530 14.712 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 26 2.755 13.234 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.415 12.176 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.295 11.351 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.744 12.942 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.730 13.928 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.285 12.648 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.233 11.874 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.143 10.111 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.524 10.250 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.674 10.042 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.779 11.378 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.357 11.596 -12.177 1.00 0.00 H new ATOM 378 N ASP A 27 1.923 11.880 -6.324 1.00 0.00 N ATOM 379 CA ASP A 27 1.343 11.192 -5.172 1.00 0.00 C ATOM 380 C ASP A 27 1.039 9.751 -5.546 1.00 0.00 C ATOM 381 O ASP A 27 0.282 9.494 -6.484 1.00 0.00 O ATOM 382 CB ASP A 27 0.058 11.882 -4.691 1.00 0.00 C ATOM 383 CG ASP A 27 0.306 13.217 -4.013 1.00 0.00 C ATOM 384 OD1 ASP A 27 0.478 14.227 -4.722 1.00 0.00 O ATOM 385 OD2 ASP A 27 0.307 13.269 -2.764 1.00 0.00 O ATOM 0 H ASP A 27 1.425 11.724 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 27 2.066 11.224 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.605 12.034 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.462 11.222 -3.997 1.00 0.00 H new ATOM 390 N PHE A 28 1.638 8.818 -4.828 1.00 0.00 N ATOM 391 CA PHE A 28 1.458 7.404 -5.120 1.00 0.00 C ATOM 392 C PHE A 28 0.419 6.788 -4.193 1.00 0.00 C ATOM 393 O PHE A 28 0.380 7.092 -3.001 1.00 0.00 O ATOM 394 CB PHE A 28 2.783 6.657 -4.976 1.00 0.00 C ATOM 395 CG PHE A 28 3.890 7.228 -5.813 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.857 7.131 -7.192 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.970 7.859 -5.213 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.879 7.656 -7.965 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.991 8.384 -5.977 1.00 0.00 C ATOM 400 CZ PHE A 28 5.950 8.282 -7.352 1.00 0.00 C ATOM 0 H PHE A 28 2.254 9.012 -4.038 1.00 0.00 H new ATOM 0 HA PHE A 28 1.107 7.315 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.086 6.671 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.633 5.613 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.024 6.640 -7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.012 7.940 -4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.840 7.577 -9.041 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.824 8.876 -5.498 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.752 8.690 -7.949 1.00 0.00 H new ATOM 410 N SER A 29 -0.421 5.928 -4.750 1.00 0.00 N ATOM 411 CA SER A 29 -1.440 5.243 -3.972 1.00 0.00 C ATOM 412 C SER A 29 -0.826 4.080 -3.199 1.00 0.00 C ATOM 413 O SER A 29 -0.175 3.210 -3.784 1.00 0.00 O ATOM 414 CB SER A 29 -2.545 4.734 -4.901 1.00 0.00 C ATOM 415 OG SER A 29 -2.998 5.765 -5.766 1.00 0.00 O ATOM 0 H SER A 29 -0.416 5.688 -5.741 1.00 0.00 H new ATOM 0 HA SER A 29 -1.869 5.945 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.172 3.897 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.379 4.359 -4.308 1.00 0.00 H new ATOM 0 HG SER A 29 -3.702 5.415 -6.351 1.00 0.00 H new ATOM 421 N LEU A 30 -1.023 4.070 -1.886 1.00 0.00 N ATOM 422 CA LEU A 30 -0.508 2.998 -1.048 1.00 0.00 C ATOM 423 C LEU A 30 -1.613 2.003 -0.728 1.00 0.00 C ATOM 424 O LEU A 30 -2.720 2.390 -0.354 1.00 0.00 O ATOM 425 CB LEU A 30 0.078 3.556 0.257 1.00 0.00 C ATOM 426 CG LEU A 30 1.312 4.448 0.103 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.806 4.910 1.466 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.418 3.710 -0.635 1.00 0.00 C ATOM 0 H LEU A 30 -1.536 4.792 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 30 0.285 2.492 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.698 4.126 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.337 2.718 0.905 1.00 0.00 H new ATOM 0 HG LEU A 30 1.031 5.323 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.684 5.543 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.019 5.476 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.069 4.042 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.286 4.361 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.696 2.817 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.065 3.422 -1.625 1.00 0.00 H new ATOM 440 N GLN A 31 -1.318 0.725 -0.897 1.00 0.00 N ATOM 441 CA GLN A 31 -2.262 -0.317 -0.544 1.00 0.00 C ATOM 442 C GLN A 31 -1.735 -1.099 0.646 1.00 0.00 C ATOM 443 O GLN A 31 -0.585 -1.546 0.644 1.00 0.00 O ATOM 444 CB GLN A 31 -2.511 -1.258 -1.728 1.00 0.00 C ATOM 445 CG GLN A 31 -3.575 -2.310 -1.456 1.00 0.00 C ATOM 446 CD GLN A 31 -4.000 -3.066 -2.703 1.00 0.00 C ATOM 447 OE1 GLN A 31 -3.110 -3.169 -3.678 1.00 0.00 O flip ATOM 448 NE2 GLN A 31 -5.131 -3.541 -2.796 1.00 0.00 N flip ATOM 0 H GLN A 31 -0.434 0.386 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.211 0.149 -0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.809 -0.667 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.577 -1.756 -1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.196 -3.019 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.448 -1.829 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.791 -3.442 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.409 -4.034 -3.645 1.00 0.00 H new ATOM 457 N ALA A 32 -2.569 -1.231 1.669 1.00 0.00 N ATOM 458 CA ALA A 32 -2.220 -2.012 2.844 1.00 0.00 C ATOM 459 C ALA A 32 -2.083 -3.477 2.465 1.00 0.00 C ATOM 460 O ALA A 32 -3.075 -4.189 2.324 1.00 0.00 O ATOM 461 CB ALA A 32 -3.263 -1.829 3.938 1.00 0.00 C ATOM 0 H ALA A 32 -3.495 -0.805 1.707 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.264 -1.661 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.984 -2.422 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.317 -0.777 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.236 -2.158 3.572 1.00 0.00 H new ATOM 467 N LEU A 33 -0.852 -3.909 2.267 1.00 0.00 N ATOM 468 CA LEU A 33 -0.582 -5.258 1.820 1.00 0.00 C ATOM 469 C LEU A 33 -0.204 -6.149 2.994 1.00 0.00 C ATOM 470 O LEU A 33 0.361 -5.687 3.987 1.00 0.00 O ATOM 471 CB LEU A 33 0.553 -5.255 0.788 1.00 0.00 C ATOM 472 CG LEU A 33 0.229 -5.906 -0.563 1.00 0.00 C ATOM 473 CD1 LEU A 33 -0.220 -7.344 -0.380 1.00 0.00 C ATOM 474 CD2 LEU A 33 -0.837 -5.115 -1.297 1.00 0.00 C ATOM 0 H LEU A 33 -0.019 -3.338 2.411 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.488 -5.652 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.854 -4.223 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.413 -5.767 1.220 1.00 0.00 H new ATOM 0 HG LEU A 33 1.140 -5.904 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.443 -7.782 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.574 -7.915 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.114 -7.370 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.052 -5.594 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.745 -5.082 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.481 -4.100 -1.472 1.00 0.00 H new ATOM 486 N CYS A 34 -0.499 -7.429 2.861 1.00 0.00 N ATOM 487 CA CYS A 34 -0.098 -8.412 3.842 1.00 0.00 C ATOM 488 C CYS A 34 1.198 -9.072 3.387 1.00 0.00 C ATOM 489 O CYS A 34 1.206 -9.814 2.412 1.00 0.00 O ATOM 490 CB CYS A 34 -1.215 -9.447 4.040 1.00 0.00 C ATOM 491 SG CYS A 34 -2.029 -9.994 2.509 1.00 0.00 S ATOM 0 H CYS A 34 -1.021 -7.812 2.073 1.00 0.00 H new ATOM 0 HA CYS A 34 0.077 -7.928 4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.798 -10.319 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.969 -9.025 4.704 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.166 -10.605 1.753 1.00 0.00 H new ATOM 496 N PRO A 35 2.312 -8.770 4.072 1.00 0.00 N ATOM 497 CA PRO A 35 3.661 -9.192 3.653 1.00 0.00 C ATOM 498 C PRO A 35 3.837 -10.710 3.586 1.00 0.00 C ATOM 499 O PRO A 35 4.327 -11.232 2.580 1.00 0.00 O ATOM 500 CB PRO A 35 4.580 -8.591 4.726 1.00 0.00 C ATOM 501 CG PRO A 35 3.692 -8.318 5.893 1.00 0.00 C ATOM 502 CD PRO A 35 2.350 -7.979 5.313 1.00 0.00 C ATOM 0 HA PRO A 35 3.878 -8.853 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.379 -9.283 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.055 -7.677 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.627 -9.187 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.078 -7.495 6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.539 -8.250 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.255 -6.912 5.114 1.00 0.00 H new ATOM 510 N ASP A 36 3.438 -11.406 4.652 1.00 0.00 N ATOM 511 CA ASP A 36 3.599 -12.860 4.730 1.00 0.00 C ATOM 512 C ASP A 36 2.960 -13.530 3.521 1.00 0.00 C ATOM 513 O ASP A 36 3.619 -14.250 2.770 1.00 0.00 O ATOM 514 CB ASP A 36 2.978 -13.405 6.017 1.00 0.00 C ATOM 515 CG ASP A 36 3.287 -14.875 6.224 1.00 0.00 C ATOM 516 OD1 ASP A 36 2.586 -15.726 5.641 1.00 0.00 O ATOM 517 OD2 ASP A 36 4.236 -15.191 6.972 1.00 0.00 O ATOM 0 H ASP A 36 3.001 -10.987 5.473 1.00 0.00 H new ATOM 0 HA ASP A 36 4.666 -13.084 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.350 -12.834 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.898 -13.263 5.985 1.00 0.00 H new ATOM 522 N CYS A 37 1.676 -13.283 3.333 1.00 0.00 N ATOM 523 CA CYS A 37 0.993 -13.712 2.131 1.00 0.00 C ATOM 524 C CYS A 37 0.752 -12.497 1.235 1.00 0.00 C ATOM 525 O CYS A 37 -0.313 -11.863 1.305 1.00 0.00 O ATOM 526 CB CYS A 37 -0.327 -14.415 2.485 1.00 0.00 C ATOM 527 SG CYS A 37 -1.505 -13.404 3.432 1.00 0.00 S ATOM 0 H CYS A 37 1.086 -12.786 4.001 1.00 0.00 H new ATOM 0 HA CYS A 37 1.611 -14.431 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.808 -14.738 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.100 -15.314 3.058 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.623 -12.237 2.872 1.00 0.00 H new ATOM 532 N ARG A 38 1.750 -12.149 0.425 1.00 0.00 N ATOM 533 CA ARG A 38 1.714 -10.913 -0.361 1.00 0.00 C ATOM 534 C ARG A 38 0.755 -11.031 -1.540 1.00 0.00 C ATOM 535 O ARG A 38 1.114 -11.478 -2.625 1.00 0.00 O ATOM 536 CB ARG A 38 3.122 -10.517 -0.822 1.00 0.00 C ATOM 537 CG ARG A 38 3.182 -9.156 -1.499 1.00 0.00 C ATOM 538 CD ARG A 38 4.599 -8.603 -1.533 1.00 0.00 C ATOM 539 NE ARG A 38 5.517 -9.450 -2.295 1.00 0.00 N ATOM 540 CZ ARG A 38 6.846 -9.343 -2.250 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.423 -8.441 -1.461 1.00 0.00 N ATOM 542 NH2 ARG A 38 7.593 -10.144 -2.995 1.00 0.00 N ATOM 0 H ARG A 38 2.595 -12.705 0.294 1.00 0.00 H new ATOM 0 HA ARG A 38 1.338 -10.118 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.790 -10.514 0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.495 -11.273 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.800 -9.239 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.532 -8.458 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.585 -7.605 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.969 -8.499 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 38 5.116 -10.168 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.849 -7.825 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.440 -8.365 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.152 -10.838 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.610 -10.067 -2.965 1.00 0.00 H new ATOM 556 N GLN A 39 -0.482 -10.634 -1.270 1.00 0.00 N ATOM 557 CA GLN A 39 -1.579 -10.634 -2.231 1.00 0.00 C ATOM 558 C GLN A 39 -2.764 -9.922 -1.586 1.00 0.00 C ATOM 559 O GLN A 39 -2.735 -9.710 -0.369 1.00 0.00 O ATOM 560 CB GLN A 39 -1.983 -12.054 -2.698 1.00 0.00 C ATOM 561 CG GLN A 39 -1.486 -13.227 -1.856 1.00 0.00 C ATOM 562 CD GLN A 39 -2.156 -13.379 -0.501 1.00 0.00 C ATOM 563 OE1 GLN A 39 -2.506 -12.400 0.183 1.00 0.00 O ATOM 564 NE2 GLN A 39 -2.330 -14.621 -0.090 1.00 0.00 N ATOM 0 H GLN A 39 -0.758 -10.293 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.250 -10.115 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.071 -12.101 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.622 -12.191 -3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.632 -14.147 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.413 -13.115 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.031 -15.399 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.764 -14.803 0.815 1.00 0.00 H new ATOM 573 N PRO A 40 -3.794 -9.532 -2.376 1.00 0.00 N ATOM 574 CA PRO A 40 -4.981 -8.813 -1.875 1.00 0.00 C ATOM 575 C PRO A 40 -5.519 -9.351 -0.548 1.00 0.00 C ATOM 576 O PRO A 40 -5.404 -10.541 -0.245 1.00 0.00 O ATOM 577 CB PRO A 40 -6.003 -9.030 -2.988 1.00 0.00 C ATOM 578 CG PRO A 40 -5.188 -9.112 -4.230 1.00 0.00 C ATOM 579 CD PRO A 40 -3.881 -9.752 -3.838 1.00 0.00 C ATOM 0 HA PRO A 40 -4.751 -7.769 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.576 -9.943 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.718 -8.209 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.697 -9.703 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.024 -8.121 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.868 -10.814 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.041 -9.295 -4.360 1.00 0.00 H new ATOM 587 N LEU A 41 -6.101 -8.460 0.239 1.00 0.00 N ATOM 588 CA LEU A 41 -6.607 -8.811 1.559 1.00 0.00 C ATOM 589 C LEU A 41 -8.126 -8.724 1.584 1.00 0.00 C ATOM 590 O LEU A 41 -8.766 -8.539 0.549 1.00 0.00 O ATOM 591 CB LEU A 41 -6.028 -7.880 2.635 1.00 0.00 C ATOM 592 CG LEU A 41 -4.506 -7.913 2.810 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.809 -7.139 1.700 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.118 -7.361 4.173 1.00 0.00 C ATOM 0 H LEU A 41 -6.236 -7.481 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.297 -9.834 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.324 -6.858 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.488 -8.132 3.590 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.180 -8.951 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.730 -7.180 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.058 -7.582 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.139 -6.100 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.034 -7.391 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.463 -6.331 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.578 -7.965 4.955 1.00 0.00 H new ATOM 606 N GLN A 42 -8.694 -8.856 2.773 1.00 0.00 N ATOM 607 CA GLN A 42 -10.129 -8.739 2.947 1.00 0.00 C ATOM 608 C GLN A 42 -10.499 -7.274 3.102 1.00 0.00 C ATOM 609 O GLN A 42 -9.896 -6.554 3.902 1.00 0.00 O ATOM 610 CB GLN A 42 -10.588 -9.545 4.168 1.00 0.00 C ATOM 611 CG GLN A 42 -12.076 -9.420 4.481 1.00 0.00 C ATOM 612 CD GLN A 42 -12.973 -10.017 3.410 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.642 -10.017 2.224 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.117 -10.535 3.825 1.00 0.00 N ATOM 0 H GLN A 42 -8.179 -9.045 3.633 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.633 -9.143 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.350 -10.596 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.017 -9.220 5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.282 -9.912 5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.325 -8.366 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.356 -10.516 4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.761 -10.954 3.154 1.00 0.00 H new ATOM 623 N VAL A 43 -11.467 -6.832 2.318 1.00 0.00 N ATOM 624 CA VAL A 43 -11.891 -5.444 2.347 1.00 0.00 C ATOM 625 C VAL A 43 -12.809 -5.193 3.536 1.00 0.00 C ATOM 626 O VAL A 43 -13.976 -5.590 3.531 1.00 0.00 O ATOM 627 CB VAL A 43 -12.617 -5.046 1.042 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.990 -3.572 1.059 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.756 -5.365 -0.170 1.00 0.00 C ATOM 0 H VAL A 43 -11.974 -7.415 1.653 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.995 -4.831 2.443 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.535 -5.629 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.500 -3.315 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.651 -3.374 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.087 -2.969 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.285 -5.077 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.819 -4.813 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.546 -6.434 -0.196 1.00 0.00 H new ATOM 639 N LEU A 44 -12.269 -4.558 4.561 1.00 0.00 N ATOM 640 CA LEU A 44 -13.038 -4.235 5.748 1.00 0.00 C ATOM 641 C LEU A 44 -13.574 -2.817 5.646 1.00 0.00 C ATOM 642 O LEU A 44 -12.833 -1.882 5.337 1.00 0.00 O ATOM 643 CB LEU A 44 -12.181 -4.387 7.009 1.00 0.00 C ATOM 644 CG LEU A 44 -11.601 -5.783 7.242 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.868 -5.830 8.573 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.697 -6.837 7.201 1.00 0.00 C ATOM 0 H LEU A 44 -11.296 -4.255 4.594 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.875 -4.930 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.358 -3.674 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.785 -4.114 7.874 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.892 -6.000 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.459 -6.828 8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.056 -5.103 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.562 -5.593 9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.261 -7.822 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.432 -6.628 7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.184 -6.818 6.226 1.00 0.00 H new ATOM 658 N LYS A 45 -14.861 -2.659 5.899 1.00 0.00 N ATOM 659 CA LYS A 45 -15.500 -1.363 5.767 1.00 0.00 C ATOM 660 C LYS A 45 -15.677 -0.703 7.125 1.00 0.00 C ATOM 661 O LYS A 45 -16.233 -1.299 8.053 1.00 0.00 O ATOM 662 CB LYS A 45 -16.856 -1.503 5.073 1.00 0.00 C ATOM 663 CG LYS A 45 -16.757 -1.983 3.637 1.00 0.00 C ATOM 664 CD LYS A 45 -18.132 -2.153 3.013 1.00 0.00 C ATOM 665 CE LYS A 45 -18.034 -2.593 1.563 1.00 0.00 C ATOM 666 NZ LYS A 45 -19.371 -2.856 0.975 1.00 0.00 N ATOM 0 H LYS A 45 -15.483 -3.411 6.196 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.854 -0.731 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.474 -2.200 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.365 -0.539 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.176 -1.269 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.221 -2.932 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.702 -2.889 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.679 -1.212 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.527 -1.822 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.424 -3.494 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.262 -3.154 -0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.845 -3.609 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.944 -1.989 1.015 1.00 0.00 H new ATOM 680 N ALA A 46 -15.179 0.514 7.241 1.00 0.00 N ATOM 681 CA ALA A 46 -15.385 1.321 8.427 1.00 0.00 C ATOM 682 C ALA A 46 -16.194 2.555 8.058 1.00 0.00 C ATOM 683 O ALA A 46 -16.405 2.825 6.877 1.00 0.00 O ATOM 684 CB ALA A 46 -14.049 1.709 9.046 1.00 0.00 C ATOM 0 H ALA A 46 -14.622 0.969 6.518 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.938 0.744 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.222 2.315 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.500 0.808 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.467 2.282 8.325 1.00 0.00 H new ATOM 690 N CYS A 47 -16.644 3.296 9.061 1.00 0.00 N ATOM 691 CA CYS A 47 -17.462 4.483 8.834 1.00 0.00 C ATOM 692 C CYS A 47 -16.754 5.491 7.930 1.00 0.00 C ATOM 693 O CYS A 47 -17.349 6.027 6.994 1.00 0.00 O ATOM 694 CB CYS A 47 -17.821 5.131 10.171 1.00 0.00 C ATOM 695 SG CYS A 47 -16.402 5.448 11.251 1.00 0.00 S ATOM 0 H CYS A 47 -16.457 3.097 10.044 1.00 0.00 H new ATOM 0 HA CYS A 47 -18.375 4.170 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.334 6.073 9.979 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -18.526 4.486 10.696 1.00 0.00 H new ATOM 0 HG CYS A 47 -16.811 5.999 12.355 1.00 0.00 H new ATOM 701 N GLY A 48 -15.481 5.734 8.200 1.00 0.00 N ATOM 702 CA GLY A 48 -14.732 6.692 7.412 1.00 0.00 C ATOM 703 C GLY A 48 -13.407 6.140 6.935 1.00 0.00 C ATOM 704 O GLY A 48 -12.448 6.887 6.755 1.00 0.00 O ATOM 0 H GLY A 48 -14.953 5.286 8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.328 6.994 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.556 7.588 8.007 1.00 0.00 H new ATOM 708 N ALA A 49 -13.353 4.831 6.721 1.00 0.00 N ATOM 709 CA ALA A 49 -12.120 4.182 6.299 1.00 0.00 C ATOM 710 C ALA A 49 -12.406 2.853 5.618 1.00 0.00 C ATOM 711 O ALA A 49 -13.456 2.246 5.829 1.00 0.00 O ATOM 712 CB ALA A 49 -11.197 3.975 7.491 1.00 0.00 C ATOM 0 H ALA A 49 -14.147 4.200 6.833 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.626 4.833 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.279 3.489 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.956 4.940 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.694 3.348 8.231 1.00 0.00 H new ATOM 718 N VAL A 50 -11.473 2.421 4.783 1.00 0.00 N ATOM 719 CA VAL A 50 -11.554 1.123 4.128 1.00 0.00 C ATOM 720 C VAL A 50 -10.240 0.381 4.335 1.00 0.00 C ATOM 721 O VAL A 50 -9.222 0.724 3.734 1.00 0.00 O ATOM 722 CB VAL A 50 -11.842 1.255 2.613 1.00 0.00 C ATOM 723 CG1 VAL A 50 -11.949 -0.117 1.961 1.00 0.00 C ATOM 724 CG2 VAL A 50 -13.113 2.061 2.368 1.00 0.00 C ATOM 0 H VAL A 50 -10.640 2.958 4.540 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.381 0.570 4.572 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.006 1.788 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.152 0.001 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.012 -0.657 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.760 -0.678 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.293 2.139 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.958 1.561 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.998 3.059 2.790 1.00 0.00 H new ATOM 734 N ASP A 51 -10.260 -0.618 5.201 1.00 0.00 N ATOM 735 CA ASP A 51 -9.035 -1.297 5.604 1.00 0.00 C ATOM 736 C ASP A 51 -8.835 -2.591 4.829 1.00 0.00 C ATOM 737 O ASP A 51 -9.784 -3.338 4.584 1.00 0.00 O ATOM 738 CB ASP A 51 -9.059 -1.618 7.103 1.00 0.00 C ATOM 739 CG ASP A 51 -9.133 -0.386 7.987 1.00 0.00 C ATOM 740 OD1 ASP A 51 -8.069 0.169 8.339 1.00 0.00 O ATOM 741 OD2 ASP A 51 -10.255 0.015 8.363 1.00 0.00 O ATOM 0 H ASP A 51 -11.108 -0.978 5.639 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.209 -0.620 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.915 -2.259 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.164 -2.185 7.359 1.00 0.00 H new ATOM 746 N TYR A 52 -7.599 -2.846 4.438 1.00 0.00 N ATOM 747 CA TYR A 52 -7.226 -4.142 3.900 1.00 0.00 C ATOM 748 C TYR A 52 -6.629 -4.988 5.013 1.00 0.00 C ATOM 749 O TYR A 52 -5.523 -4.725 5.485 1.00 0.00 O ATOM 750 CB TYR A 52 -6.231 -4.011 2.745 1.00 0.00 C ATOM 751 CG TYR A 52 -6.845 -3.558 1.441 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.531 -4.455 0.631 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.728 -2.242 1.012 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.086 -4.052 -0.567 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.279 -1.833 -0.188 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.958 -2.743 -0.972 1.00 0.00 C ATOM 757 OH TYR A 52 -8.505 -2.342 -2.170 1.00 0.00 O ATOM 0 H TYR A 52 -6.835 -2.171 4.483 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.121 -4.622 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.452 -3.304 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.745 -4.974 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.632 -5.484 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.199 -1.528 1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.618 -4.761 -1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.179 -0.807 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.327 -1.388 -2.308 1.00 0.00 H new ATOM 767 N PHE A 53 -7.380 -5.985 5.441 1.00 0.00 N ATOM 768 CA PHE A 53 -6.991 -6.813 6.569 1.00 0.00 C ATOM 769 C PHE A 53 -7.592 -8.195 6.379 1.00 0.00 C ATOM 770 O PHE A 53 -8.801 -8.370 6.529 1.00 0.00 O ATOM 771 CB PHE A 53 -7.518 -6.169 7.855 1.00 0.00 C ATOM 772 CG PHE A 53 -6.768 -6.535 9.102 1.00 0.00 C ATOM 773 CD1 PHE A 53 -6.992 -7.742 9.739 1.00 0.00 C ATOM 774 CD2 PHE A 53 -5.852 -5.652 9.648 1.00 0.00 C ATOM 775 CE1 PHE A 53 -6.316 -8.062 10.901 1.00 0.00 C ATOM 776 CE2 PHE A 53 -5.171 -5.967 10.805 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.403 -7.174 11.434 1.00 0.00 C ATOM 0 H PHE A 53 -8.272 -6.244 5.020 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.907 -6.900 6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.491 -5.086 7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.563 -6.450 7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.702 -8.442 9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.669 -4.705 9.162 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.502 -9.006 11.392 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.457 -5.270 11.219 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.872 -7.423 12.341 1.00 0.00 H new ATOM 787 N CYS A 54 -6.770 -9.171 6.019 1.00 0.00 N ATOM 788 CA CYS A 54 -7.289 -10.480 5.696 1.00 0.00 C ATOM 789 C CYS A 54 -7.580 -11.274 6.961 1.00 0.00 C ATOM 790 O CYS A 54 -6.732 -12.016 7.443 1.00 0.00 O ATOM 791 CB CYS A 54 -6.313 -11.233 4.776 1.00 0.00 C ATOM 792 SG CYS A 54 -4.558 -11.089 5.215 1.00 0.00 S ATOM 0 H CYS A 54 -5.757 -9.078 5.946 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.230 -10.357 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.584 -12.289 4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.446 -10.868 3.758 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.892 -10.632 4.196 1.00 0.00 H new ATOM 797 N GLN A 55 -8.797 -11.106 7.476 1.00 0.00 N ATOM 798 CA GLN A 55 -9.259 -11.844 8.648 1.00 0.00 C ATOM 799 C GLN A 55 -9.659 -13.250 8.234 1.00 0.00 C ATOM 800 O GLN A 55 -9.000 -14.234 8.575 1.00 0.00 O ATOM 801 CB GLN A 55 -10.463 -11.135 9.280 1.00 0.00 C ATOM 802 CG GLN A 55 -10.130 -9.835 9.995 1.00 0.00 C ATOM 803 CD GLN A 55 -9.661 -10.059 11.418 1.00 0.00 C ATOM 804 OE1 GLN A 55 -8.473 -10.214 11.677 1.00 0.00 O ATOM 805 NE2 GLN A 55 -10.598 -10.077 12.352 1.00 0.00 N ATOM 0 H GLN A 55 -9.486 -10.458 7.094 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.452 -11.891 9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.196 -10.928 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.936 -11.814 9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.355 -9.307 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.011 -9.193 10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.576 -9.944 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.342 -10.224 13.328 1.00 0.00 H new ATOM 814 N ASN A 56 -10.741 -13.333 7.480 1.00 0.00 N ATOM 815 CA ASN A 56 -11.190 -14.601 6.945 1.00 0.00 C ATOM 816 C ASN A 56 -10.542 -14.841 5.592 1.00 0.00 C ATOM 817 O ASN A 56 -10.820 -14.130 4.624 1.00 0.00 O ATOM 818 CB ASN A 56 -12.713 -14.628 6.804 1.00 0.00 C ATOM 819 CG ASN A 56 -13.228 -15.986 6.363 1.00 0.00 C ATOM 820 OD1 ASN A 56 -12.658 -17.021 6.709 1.00 0.00 O ATOM 821 ND2 ASN A 56 -14.303 -15.990 5.587 1.00 0.00 N ATOM 0 H ASN A 56 -11.324 -12.535 7.226 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.898 -15.391 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.168 -14.362 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.022 -13.873 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.688 -16.874 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.745 -15.109 5.324 1.00 0.00 H new ATOM 828 N GLY A 57 -9.659 -15.819 5.536 1.00 0.00 N ATOM 829 CA GLY A 57 -8.998 -16.138 4.294 1.00 0.00 C ATOM 830 C GLY A 57 -7.518 -16.382 4.469 1.00 0.00 C ATOM 831 O GLY A 57 -6.997 -17.404 4.028 1.00 0.00 O ATOM 0 H GLY A 57 -9.387 -16.399 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.459 -17.024 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.147 -15.321 3.588 1.00 0.00 H new ATOM 835 N HIS A 58 -6.829 -15.450 5.117 1.00 0.00 N ATOM 836 CA HIS A 58 -5.384 -15.574 5.299 1.00 0.00 C ATOM 837 C HIS A 58 -5.045 -15.689 6.782 1.00 0.00 C ATOM 838 O HIS A 58 -4.437 -16.671 7.215 1.00 0.00 O ATOM 839 CB HIS A 58 -4.635 -14.387 4.667 1.00 0.00 C ATOM 840 CG HIS A 58 -4.923 -14.183 3.203 1.00 0.00 C ATOM 841 ND1 HIS A 58 -4.728 -12.976 2.548 1.00 0.00 N ATOM 842 CD2 HIS A 58 -5.425 -15.029 2.271 1.00 0.00 C ATOM 843 CE1 HIS A 58 -5.114 -13.098 1.290 1.00 0.00 C ATOM 844 NE2 HIS A 58 -5.535 -14.329 1.096 1.00 0.00 N ATOM 0 H HIS A 58 -7.240 -14.609 5.522 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.059 -16.482 4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -4.897 -13.477 5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.563 -14.537 4.797 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -4.347 -12.129 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.690 -16.065 2.425 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.088 -12.317 0.545 1.00 0.00 H new ATOM 852 N GLY A 59 -5.443 -14.692 7.564 1.00 0.00 N ATOM 853 CA GLY A 59 -5.244 -14.758 9.000 1.00 0.00 C ATOM 854 C GLY A 59 -5.567 -13.450 9.683 1.00 0.00 C ATOM 855 O GLY A 59 -6.729 -13.167 9.968 1.00 0.00 O ATOM 0 H GLY A 59 -5.898 -13.842 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.871 -15.547 9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.209 -15.029 9.209 1.00 0.00 H new ATOM 859 N LEU A 60 -4.529 -12.672 9.956 1.00 0.00 N ATOM 860 CA LEU A 60 -4.660 -11.324 10.501 1.00 0.00 C ATOM 861 C LEU A 60 -3.270 -10.735 10.716 1.00 0.00 C ATOM 862 O LEU A 60 -2.528 -11.149 11.610 1.00 0.00 O ATOM 863 CB LEU A 60 -5.468 -11.300 11.814 1.00 0.00 C ATOM 864 CG LEU A 60 -4.985 -12.233 12.929 1.00 0.00 C ATOM 865 CD1 LEU A 60 -4.712 -11.440 14.197 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.017 -13.319 13.197 1.00 0.00 C ATOM 0 H LEU A 60 -3.562 -12.960 9.805 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.214 -10.719 9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.466 -10.280 12.198 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.503 -11.551 11.583 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.058 -12.708 12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.369 -12.115 14.981 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.944 -10.692 14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.627 -10.943 14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.659 -13.973 13.992 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.958 -12.860 13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.175 -13.903 12.290 1.00 0.00 H new ATOM 878 N ILE A 61 -2.908 -9.793 9.865 1.00 0.00 N ATOM 879 CA ILE A 61 -1.586 -9.194 9.912 1.00 0.00 C ATOM 880 C ILE A 61 -1.588 -8.001 10.853 1.00 0.00 C ATOM 881 O ILE A 61 -2.409 -7.103 10.702 1.00 0.00 O ATOM 882 CB ILE A 61 -1.122 -8.729 8.514 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.401 -9.810 7.461 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.359 -8.375 8.539 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.738 -11.145 7.736 1.00 0.00 C ATOM 0 H ILE A 61 -3.513 -9.425 9.131 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.895 -9.956 10.272 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.687 -7.838 8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.478 -9.962 7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.067 -9.447 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.672 -8.049 7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.529 -7.571 9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.938 -9.251 8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.990 -11.847 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.343 -11.013 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.090 -11.536 8.691 1.00 0.00 H new ATOM 897 N SER A 62 -0.685 -8.006 11.828 1.00 0.00 N ATOM 898 CA SER A 62 -0.572 -6.903 12.774 1.00 0.00 C ATOM 899 C SER A 62 -0.469 -5.577 12.026 1.00 0.00 C ATOM 900 O SER A 62 0.317 -5.450 11.085 1.00 0.00 O ATOM 901 CB SER A 62 0.653 -7.093 13.672 1.00 0.00 C ATOM 902 OG SER A 62 0.645 -6.168 14.749 1.00 0.00 O ATOM 0 H SER A 62 -0.020 -8.763 11.983 1.00 0.00 H new ATOM 0 HA SER A 62 -1.465 -6.890 13.399 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.667 -8.111 14.062 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.562 -6.964 13.085 1.00 0.00 H new ATOM 0 HG SER A 62 1.437 -6.311 15.309 1.00 0.00 H new ATOM 908 N LYS A 63 -1.255 -4.590 12.455 1.00 0.00 N ATOM 909 CA LYS A 63 -1.359 -3.318 11.745 1.00 0.00 C ATOM 910 C LYS A 63 -0.031 -2.564 11.738 1.00 0.00 C ATOM 911 O LYS A 63 0.144 -1.609 10.982 1.00 0.00 O ATOM 912 CB LYS A 63 -2.455 -2.443 12.363 1.00 0.00 C ATOM 913 CG LYS A 63 -2.168 -2.002 13.792 1.00 0.00 C ATOM 914 CD LYS A 63 -3.289 -1.129 14.334 1.00 0.00 C ATOM 915 CE LYS A 63 -2.972 -0.606 15.723 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.080 0.226 16.262 1.00 0.00 N ATOM 0 H LYS A 63 -1.831 -4.649 13.295 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.623 -3.544 10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.591 -1.558 11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.396 -2.993 12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.046 -2.879 14.428 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.227 -1.452 13.824 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.456 -0.290 13.659 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.215 -1.703 14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.786 -1.444 16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.056 -0.016 15.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.828 0.566 17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.240 1.040 15.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.948 -0.345 16.317 1.00 0.00 H new ATOM 930 N LYS A 64 0.902 -2.994 12.577 1.00 0.00 N ATOM 931 CA LYS A 64 2.217 -2.372 12.628 1.00 0.00 C ATOM 932 C LYS A 64 3.138 -3.003 11.592 1.00 0.00 C ATOM 933 O LYS A 64 4.192 -2.460 11.265 1.00 0.00 O ATOM 934 CB LYS A 64 2.835 -2.523 14.020 1.00 0.00 C ATOM 935 CG LYS A 64 1.922 -2.080 15.155 1.00 0.00 C ATOM 936 CD LYS A 64 2.675 -1.988 16.473 1.00 0.00 C ATOM 937 CE LYS A 64 3.381 -3.293 16.816 1.00 0.00 C ATOM 938 NZ LYS A 64 4.209 -3.165 18.044 1.00 0.00 N ATOM 0 H LYS A 64 0.773 -3.768 13.229 1.00 0.00 H new ATOM 0 HA LYS A 64 2.098 -1.311 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.108 -3.567 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.757 -1.943 14.062 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.486 -1.110 14.915 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.096 -2.784 15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.408 -1.183 16.417 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.979 -1.731 17.272 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.641 -4.081 16.957 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.013 -3.595 15.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.674 -4.073 18.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.931 -2.431 17.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.602 -2.901 18.846 1.00 0.00 H new ATOM 952 N ARG A 65 2.731 -4.153 11.072 1.00 0.00 N ATOM 953 CA ARG A 65 3.552 -4.896 10.128 1.00 0.00 C ATOM 954 C ARG A 65 2.927 -4.874 8.734 1.00 0.00 C ATOM 955 O ARG A 65 3.528 -5.336 7.762 1.00 0.00 O ATOM 956 CB ARG A 65 3.752 -6.333 10.627 1.00 0.00 C ATOM 957 CG ARG A 65 4.687 -7.166 9.764 1.00 0.00 C ATOM 958 CD ARG A 65 5.209 -8.379 10.511 1.00 0.00 C ATOM 959 NE ARG A 65 6.056 -7.997 11.642 1.00 0.00 N ATOM 960 CZ ARG A 65 7.113 -8.694 12.056 1.00 0.00 C ATOM 961 NH1 ARG A 65 7.470 -9.810 11.435 1.00 0.00 N ATOM 962 NH2 ARG A 65 7.820 -8.261 13.092 1.00 0.00 N ATOM 0 H ARG A 65 1.836 -4.591 11.289 1.00 0.00 H new ATOM 0 HA ARG A 65 4.529 -4.419 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.144 -6.302 11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.782 -6.828 10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.161 -7.490 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.526 -6.551 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.369 -8.974 10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.777 -9.010 9.828 1.00 0.00 H new ATOM 0 HE ARG A 65 5.822 -7.142 12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.934 -10.141 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.281 -10.337 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.553 -7.399 13.567 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.630 -8.791 13.414 1.00 0.00 H new ATOM 976 N VAL A 66 1.718 -4.330 8.641 1.00 0.00 N ATOM 977 CA VAL A 66 1.060 -4.157 7.353 1.00 0.00 C ATOM 978 C VAL A 66 1.893 -3.234 6.472 1.00 0.00 C ATOM 979 O VAL A 66 2.141 -2.077 6.822 1.00 0.00 O ATOM 980 CB VAL A 66 -0.364 -3.570 7.492 1.00 0.00 C ATOM 981 CG1 VAL A 66 -1.015 -3.414 6.128 1.00 0.00 C ATOM 982 CG2 VAL A 66 -1.224 -4.442 8.384 1.00 0.00 C ATOM 0 H VAL A 66 1.176 -4.002 9.441 1.00 0.00 H new ATOM 0 HA VAL A 66 0.972 -5.145 6.901 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.277 -2.586 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.016 -3.000 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.415 -2.742 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.081 -4.388 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.220 -4.008 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.298 -5.441 7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.773 -4.505 9.374 1.00 0.00 H new ATOM 992 N ASN A 67 2.331 -3.751 5.340 1.00 0.00 N ATOM 993 CA ASN A 67 3.211 -3.004 4.462 1.00 0.00 C ATOM 994 C ASN A 67 2.404 -2.250 3.420 1.00 0.00 C ATOM 995 O ASN A 67 1.954 -2.831 2.429 1.00 0.00 O ATOM 996 CB ASN A 67 4.206 -3.943 3.777 1.00 0.00 C ATOM 997 CG ASN A 67 5.283 -3.193 3.014 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.025 -2.901 1.748 1.00 0.00 O flip ATOM 999 ND2 ASN A 67 6.341 -2.883 3.557 1.00 0.00 N flip ATOM 0 H ASN A 67 2.092 -4.685 5.007 1.00 0.00 H new ATOM 0 HA ASN A 67 3.766 -2.284 5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.674 -4.581 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.669 -4.598 3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.503 -3.126 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.057 -2.383 3.030 1.00 0.00 H new ATOM 1006 N PHE A 68 2.198 -0.964 3.662 1.00 0.00 N ATOM 1007 CA PHE A 68 1.482 -0.118 2.719 1.00 0.00 C ATOM 1008 C PHE A 68 2.381 0.157 1.519 1.00 0.00 C ATOM 1009 O PHE A 68 3.312 0.955 1.604 1.00 0.00 O ATOM 1010 CB PHE A 68 1.067 1.204 3.383 1.00 0.00 C ATOM 1011 CG PHE A 68 0.561 1.056 4.796 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -0.554 0.283 5.085 1.00 0.00 C ATOM 1013 CD2 PHE A 68 1.211 1.699 5.839 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -1.011 0.157 6.385 1.00 0.00 C ATOM 1015 CE2 PHE A 68 0.757 1.576 7.140 1.00 0.00 C ATOM 1016 CZ PHE A 68 -0.355 0.804 7.413 1.00 0.00 C ATOM 0 H PHE A 68 2.517 -0.483 4.503 1.00 0.00 H new ATOM 0 HA PHE A 68 0.577 -0.630 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.922 1.880 3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.290 1.673 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.072 -0.227 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.082 2.303 5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.881 -0.448 6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.272 2.084 7.942 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.711 0.707 8.428 1.00 0.00 H new ATOM 1026 N VAL A 69 2.121 -0.526 0.415 1.00 0.00 N ATOM 1027 CA VAL A 69 3.008 -0.465 -0.735 1.00 0.00 C ATOM 1028 C VAL A 69 2.306 0.131 -1.952 1.00 0.00 C ATOM 1029 O VAL A 69 1.092 -0.017 -2.119 1.00 0.00 O ATOM 1030 CB VAL A 69 3.564 -1.870 -1.079 1.00 0.00 C ATOM 1031 CG1 VAL A 69 2.455 -2.805 -1.540 1.00 0.00 C ATOM 1032 CG2 VAL A 69 4.668 -1.786 -2.124 1.00 0.00 C ATOM 0 H VAL A 69 1.306 -1.127 0.292 1.00 0.00 H new ATOM 0 HA VAL A 69 3.840 0.187 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 69 3.995 -2.283 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.877 -3.782 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.714 -2.910 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.978 -2.393 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.038 -2.788 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.273 -1.337 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.485 -1.174 -1.742 1.00 0.00 H new ATOM 1042 N ILE A 70 3.076 0.827 -2.780 1.00 0.00 N ATOM 1043 CA ILE A 70 2.571 1.386 -4.026 1.00 0.00 C ATOM 1044 C ILE A 70 2.163 0.260 -4.970 1.00 0.00 C ATOM 1045 O ILE A 70 2.942 -0.660 -5.220 1.00 0.00 O ATOM 1046 CB ILE A 70 3.641 2.261 -4.716 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.190 3.303 -3.737 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.058 2.944 -5.948 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.362 4.093 -4.279 1.00 0.00 C ATOM 0 H ILE A 70 4.063 1.019 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 70 1.707 2.008 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 70 4.461 1.618 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.390 3.994 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.496 2.800 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.825 3.556 -6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.710 2.188 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.221 3.576 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.695 4.810 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.179 3.413 -4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.057 4.625 -5.180 1.00 0.00 H new ATOM 1061 N SER A 71 0.944 0.325 -5.477 1.00 0.00 N ATOM 1062 CA SER A 71 0.435 -0.714 -6.358 1.00 0.00 C ATOM 1063 C SER A 71 0.279 -0.187 -7.785 1.00 0.00 C ATOM 1064 O SER A 71 0.345 1.024 -8.015 1.00 0.00 O ATOM 1065 CB SER A 71 -0.899 -1.230 -5.821 1.00 0.00 C ATOM 1066 OG SER A 71 -0.772 -1.625 -4.463 1.00 0.00 O ATOM 0 H SER A 71 0.288 1.085 -5.295 1.00 0.00 H new ATOM 0 HA SER A 71 1.149 -1.537 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.658 -0.453 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.236 -2.075 -6.421 1.00 0.00 H new ATOM 0 HG SER A 71 -1.567 -2.130 -4.193 1.00 0.00 H new