USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 651 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 83 SER OG : rot -178:sc= 0.114 USER MOD Set 1.2: A 85 THR OG1 : rot -17:sc= 0.0473 USER MOD Set 1.3: A 86 THR OG1 : rot -143:sc= 0.274 USER MOD Set 2.1: A 46 GLN : amide:sc= -0.753 K(o=-0.99,f=-1.8!) USER MOD Set 2.2: A 87 ASN : amide:sc= 0.0172 K(o=-0.99,f=-2.1) USER MOD Set 2.3: A 89 ASN : amide:sc= -0.257 X(o=-0.99,f=-0.8) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.121 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 69:sc= 0.298 USER MOD Single : A 9 SER OG : rot -86:sc= 0.0541 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00622 USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 19 THR OG1 : rot -83:sc= 0.954 USER MOD Single : A 25 SER OG : rot 180:sc= 0.271 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.98! C(o=-4!,f=-4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= 0.43 (180deg=-0.00186) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -44:sc= 0.808 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.657 K(o=-0.66,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.26) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 44:sc= 0.302 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.095 -0.317 -0.785 1.00 0.00 N ATOM 2 CA ALA A 1 2.524 -0.454 -1.035 1.00 0.00 C ATOM 3 C ALA A 1 3.182 0.909 -1.223 1.00 0.00 C ATOM 4 O ALA A 1 2.500 1.929 -1.324 1.00 0.00 O ATOM 5 CB ALA A 1 2.764 -1.331 -2.255 1.00 0.00 C ATOM 0 H1 ALA A 1 0.889 -0.571 0.202 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.805 0.667 -0.957 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.569 -0.949 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 1 2.976 -0.929 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.836 -1.425 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.336 -2.319 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.292 -0.878 -3.127 1.00 0.00 H new ATOM 11 N ILE A 2 4.510 0.918 -1.269 1.00 0.00 N ATOM 12 CA ILE A 2 5.259 2.156 -1.445 1.00 0.00 C ATOM 13 C ILE A 2 5.201 2.632 -2.892 1.00 0.00 C ATOM 14 O ILE A 2 5.642 1.933 -3.804 1.00 0.00 O ATOM 15 CB ILE A 2 6.732 1.986 -1.030 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.828 1.614 0.451 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.512 3.262 -1.313 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.694 0.130 0.711 1.00 0.00 C ATOM 0 H ILE A 2 5.089 0.082 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 2 4.793 2.902 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 2 7.169 1.178 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.785 1.958 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.050 2.143 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.552 3.127 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.467 3.487 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.077 4.087 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.772 -0.060 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.726 -0.217 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.488 -0.404 0.189 1.00 0.00 H new ATOM 30 N SER A 3 4.657 3.828 -3.095 1.00 0.00 N ATOM 31 CA SER A 3 4.540 4.397 -4.432 1.00 0.00 C ATOM 32 C SER A 3 5.713 5.326 -4.732 1.00 0.00 C ATOM 33 O SER A 3 6.618 4.977 -5.490 1.00 0.00 O ATOM 34 CB SER A 3 3.222 5.161 -4.571 1.00 0.00 C ATOM 35 OG SER A 3 3.239 6.007 -5.708 1.00 0.00 O ATOM 0 H SER A 3 4.291 4.421 -2.351 1.00 0.00 H new ATOM 0 HA SER A 3 4.554 3.578 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.396 4.455 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.047 5.755 -3.674 1.00 0.00 H new ATOM 0 HG SER A 3 2.385 6.482 -5.775 1.00 0.00 H new ATOM 41 N CYS A 4 5.689 6.511 -4.131 1.00 0.00 N ATOM 42 CA CYS A 4 6.749 7.492 -4.332 1.00 0.00 C ATOM 43 C CYS A 4 6.534 8.714 -3.444 1.00 0.00 C ATOM 44 O CYS A 4 7.487 9.294 -2.926 1.00 0.00 O ATOM 45 CB CYS A 4 6.806 7.918 -5.800 1.00 0.00 C ATOM 46 SG CYS A 4 8.490 7.977 -6.492 1.00 0.00 S ATOM 0 H CYS A 4 4.947 6.815 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 4 7.697 7.028 -4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.206 7.227 -6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.349 8.903 -5.900 1.00 0.00 H new ATOM 51 N GLY A 5 5.273 9.101 -3.274 1.00 0.00 N ATOM 52 CA GLY A 5 4.955 10.252 -2.448 1.00 0.00 C ATOM 53 C GLY A 5 5.462 10.104 -1.027 1.00 0.00 C ATOM 54 O GLY A 5 5.874 11.082 -0.403 1.00 0.00 O ATOM 0 H GLY A 5 4.466 8.638 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.389 11.147 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.875 10.396 -2.432 1.00 0.00 H new ATOM 58 N ALA A 6 5.432 8.878 -0.514 1.00 0.00 N ATOM 59 CA ALA A 6 5.893 8.606 0.842 1.00 0.00 C ATOM 60 C ALA A 6 7.414 8.670 0.928 1.00 0.00 C ATOM 61 O ALA A 6 7.972 9.031 1.964 1.00 0.00 O ATOM 62 CB ALA A 6 5.393 7.246 1.306 1.00 0.00 C ATOM 0 H ALA A 6 5.093 8.058 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 6 5.486 9.374 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.745 7.056 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.303 7.235 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.773 6.472 0.639 1.00 0.00 H new ATOM 68 N VAL A 7 8.079 8.317 -0.167 1.00 0.00 N ATOM 69 CA VAL A 7 9.537 8.335 -0.215 1.00 0.00 C ATOM 70 C VAL A 7 10.066 9.761 -0.320 1.00 0.00 C ATOM 71 O VAL A 7 11.069 10.110 0.303 1.00 0.00 O ATOM 72 CB VAL A 7 10.069 7.513 -1.404 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.581 7.372 -1.321 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.399 6.148 -1.450 1.00 0.00 C ATOM 0 H VAL A 7 7.632 8.015 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 7 9.890 7.887 0.714 1.00 0.00 H new ATOM 0 HB VAL A 7 9.828 8.042 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.939 6.788 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.040 8.360 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.849 6.866 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.787 5.581 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.607 5.609 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.322 6.275 -1.561 1.00 0.00 H new ATOM 84 N THR A 8 9.383 10.583 -1.111 1.00 0.00 N ATOM 85 CA THR A 8 9.784 11.971 -1.297 1.00 0.00 C ATOM 86 C THR A 8 9.554 12.786 -0.029 1.00 0.00 C ATOM 87 O THR A 8 10.199 13.811 0.187 1.00 0.00 O ATOM 88 CB THR A 8 9.016 12.626 -2.461 1.00 0.00 C ATOM 89 OG1 THR A 8 9.110 11.809 -3.632 1.00 0.00 O ATOM 90 CG2 THR A 8 9.564 14.014 -2.759 1.00 0.00 C ATOM 0 H THR A 8 8.550 10.311 -1.633 1.00 0.00 H new ATOM 0 HA THR A 8 10.848 11.963 -1.532 1.00 0.00 H new ATOM 0 HB THR A 8 7.970 12.721 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.602 10.982 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.006 14.456 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.463 14.643 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.617 13.939 -3.032 1.00 0.00 H new ATOM 98 N SER A 9 8.632 12.321 0.807 1.00 0.00 N ATOM 99 CA SER A 9 8.315 13.009 2.054 1.00 0.00 C ATOM 100 C SER A 9 9.514 13.005 2.996 1.00 0.00 C ATOM 101 O SER A 9 9.927 14.052 3.497 1.00 0.00 O ATOM 102 CB SER A 9 7.115 12.347 2.735 1.00 0.00 C ATOM 103 OG SER A 9 7.193 12.477 4.144 1.00 0.00 O ATOM 0 H SER A 9 8.091 11.471 0.644 1.00 0.00 H new ATOM 0 HA SER A 9 8.065 14.043 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.192 12.802 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.076 11.292 2.466 1.00 0.00 H new ATOM 0 HG SER A 9 7.732 11.745 4.511 1.00 0.00 H new ATOM 109 N ASP A 10 10.068 11.822 3.234 1.00 0.00 N ATOM 110 CA ASP A 10 11.222 11.680 4.115 1.00 0.00 C ATOM 111 C ASP A 10 12.493 12.168 3.429 1.00 0.00 C ATOM 112 O ASP A 10 13.481 12.496 4.088 1.00 0.00 O ATOM 113 CB ASP A 10 11.386 10.222 4.545 1.00 0.00 C ATOM 114 CG ASP A 10 10.057 9.537 4.793 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.152 10.186 5.361 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.920 8.354 4.419 1.00 0.00 O ATOM 0 H ASP A 10 9.737 10.946 2.829 1.00 0.00 H new ATOM 0 HA ASP A 10 11.050 12.294 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.933 9.679 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.988 10.180 5.453 1.00 0.00 H new ATOM 121 N LEU A 11 12.463 12.213 2.102 1.00 0.00 N ATOM 122 CA LEU A 11 13.614 12.660 1.325 1.00 0.00 C ATOM 123 C LEU A 11 13.841 14.158 1.500 1.00 0.00 C ATOM 124 O LEU A 11 14.979 14.627 1.509 1.00 0.00 O ATOM 125 CB LEU A 11 13.413 12.332 -0.156 1.00 0.00 C ATOM 126 CG LEU A 11 13.751 10.902 -0.579 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.104 10.574 -1.916 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.259 10.710 -0.652 1.00 0.00 C ATOM 0 H LEU A 11 11.654 11.945 1.541 1.00 0.00 H new ATOM 0 HA LEU A 11 14.495 12.133 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.372 12.529 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.022 13.017 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 11 13.354 10.218 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.356 9.552 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.022 10.671 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.471 11.264 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.481 9.687 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.679 11.403 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.698 10.902 0.327 1.00 0.00 H new ATOM 140 N SER A 12 12.749 14.904 1.640 1.00 0.00 N ATOM 141 CA SER A 12 12.829 16.350 1.814 1.00 0.00 C ATOM 142 C SER A 12 13.741 16.707 2.984 1.00 0.00 C ATOM 143 O SER A 12 14.730 17.426 2.836 1.00 0.00 O ATOM 144 CB SER A 12 11.434 16.934 2.043 1.00 0.00 C ATOM 145 OG SER A 12 10.828 17.303 0.816 1.00 0.00 O ATOM 0 H SER A 12 11.800 14.531 1.636 1.00 0.00 H new ATOM 0 HA SER A 12 13.250 16.778 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.809 16.202 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.503 17.805 2.694 1.00 0.00 H new ATOM 0 HG SER A 12 9.937 17.672 0.989 1.00 0.00 H new ATOM 151 N PRO A 13 13.401 16.194 4.176 1.00 0.00 N ATOM 152 CA PRO A 13 14.175 16.445 5.395 1.00 0.00 C ATOM 153 C PRO A 13 15.532 15.750 5.373 1.00 0.00 C ATOM 154 O PRO A 13 16.466 16.165 6.060 1.00 0.00 O ATOM 155 CB PRO A 13 13.294 15.861 6.501 1.00 0.00 C ATOM 156 CG PRO A 13 12.469 14.823 5.821 1.00 0.00 C ATOM 157 CD PRO A 13 12.235 15.330 4.425 1.00 0.00 C ATOM 0 HA PRO A 13 14.400 17.504 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.896 15.427 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.668 16.629 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.984 13.863 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.525 14.670 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.179 14.513 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.300 15.885 4.351 1.00 0.00 H new ATOM 165 N CYS A 14 15.636 14.690 4.578 1.00 0.00 N ATOM 166 CA CYS A 14 16.879 13.936 4.466 1.00 0.00 C ATOM 167 C CYS A 14 17.827 14.596 3.467 1.00 0.00 C ATOM 168 O CYS A 14 19.026 14.314 3.453 1.00 0.00 O ATOM 169 CB CYS A 14 16.590 12.497 4.036 1.00 0.00 C ATOM 170 SG CYS A 14 15.993 11.425 5.383 1.00 0.00 S ATOM 0 H CYS A 14 14.874 14.334 4.001 1.00 0.00 H new ATOM 0 HA CYS A 14 17.359 13.926 5.445 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.846 12.509 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.499 12.065 3.617 1.00 0.00 H new ATOM 175 N LEU A 15 17.281 15.475 2.635 1.00 0.00 N ATOM 176 CA LEU A 15 18.077 16.176 1.633 1.00 0.00 C ATOM 177 C LEU A 15 19.137 17.051 2.294 1.00 0.00 C ATOM 178 O LEU A 15 20.315 16.993 1.941 1.00 0.00 O ATOM 179 CB LEU A 15 17.174 17.033 0.744 1.00 0.00 C ATOM 180 CG LEU A 15 16.642 16.358 -0.521 1.00 0.00 C ATOM 181 CD1 LEU A 15 15.767 17.319 -1.311 1.00 0.00 C ATOM 182 CD2 LEU A 15 17.792 15.852 -1.380 1.00 0.00 C ATOM 0 H LEU A 15 16.291 15.720 2.634 1.00 0.00 H new ATOM 0 HA LEU A 15 18.580 15.430 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.324 17.367 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.728 17.925 0.450 1.00 0.00 H new ATOM 0 HG LEU A 15 16.033 15.504 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.398 16.821 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.923 17.632 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.352 18.193 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.394 15.375 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.428 16.690 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.379 15.129 -0.813 1.00 0.00 H new ATOM 194 N THR A 16 18.711 17.862 3.258 1.00 0.00 N ATOM 195 CA THR A 16 19.623 18.748 3.970 1.00 0.00 C ATOM 196 C THR A 16 20.841 17.988 4.481 1.00 0.00 C ATOM 197 O THR A 16 21.949 18.524 4.517 1.00 0.00 O ATOM 198 CB THR A 16 18.925 19.436 5.158 1.00 0.00 C ATOM 199 OG1 THR A 16 17.647 19.939 4.751 1.00 0.00 O ATOM 200 CG2 THR A 16 19.775 20.575 5.699 1.00 0.00 C ATOM 0 H THR A 16 17.740 17.923 3.563 1.00 0.00 H new ATOM 0 HA THR A 16 19.945 19.508 3.258 1.00 0.00 H new ATOM 0 HB THR A 16 18.789 18.698 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.209 20.373 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.262 21.046 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.736 20.184 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 16 19.938 21.312 4.913 1.00 0.00 H new ATOM 208 N TYR A 17 20.629 16.738 4.876 1.00 0.00 N ATOM 209 CA TYR A 17 21.711 15.904 5.387 1.00 0.00 C ATOM 210 C TYR A 17 22.458 15.220 4.247 1.00 0.00 C ATOM 211 O TYR A 17 23.678 15.062 4.294 1.00 0.00 O ATOM 212 CB TYR A 17 21.160 14.854 6.354 1.00 0.00 C ATOM 213 CG TYR A 17 22.228 13.978 6.969 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.136 14.496 7.885 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.328 12.633 6.636 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.113 13.700 8.449 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.302 11.829 7.197 1.00 0.00 C ATOM 218 CZ TYR A 17 24.192 12.367 8.102 1.00 0.00 C ATOM 219 OH TYR A 17 25.164 11.570 8.664 1.00 0.00 O ATOM 0 H TYR A 17 19.718 16.280 4.852 1.00 0.00 H new ATOM 0 HA TYR A 17 22.411 16.548 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.612 15.358 7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.445 14.224 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.076 15.539 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.633 12.209 5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 17 24.812 14.119 9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.366 10.785 6.928 1.00 0.00 H new ATOM 0 HH TYR A 17 24.944 10.628 8.510 1.00 0.00 H new ATOM 229 N LEU A 18 21.716 14.816 3.221 1.00 0.00 N ATOM 230 CA LEU A 18 22.306 14.149 2.066 1.00 0.00 C ATOM 231 C LEU A 18 23.074 15.140 1.198 1.00 0.00 C ATOM 232 O LEU A 18 23.755 14.753 0.248 1.00 0.00 O ATOM 233 CB LEU A 18 21.218 13.464 1.237 1.00 0.00 C ATOM 234 CG LEU A 18 20.735 12.108 1.753 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.633 11.559 0.860 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.894 11.126 1.838 1.00 0.00 C ATOM 0 H LEU A 18 20.705 14.939 3.166 1.00 0.00 H new ATOM 0 HA LEU A 18 23.005 13.396 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.360 14.134 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.592 13.332 0.222 1.00 0.00 H new ATOM 0 HG LEU A 18 20.328 12.246 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.302 10.594 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.793 12.253 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.014 11.436 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.532 10.167 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.331 10.993 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.651 11.514 2.520 1.00 0.00 H new ATOM 248 N THR A 19 22.962 16.422 1.532 1.00 0.00 N ATOM 249 CA THR A 19 23.646 17.469 0.785 1.00 0.00 C ATOM 250 C THR A 19 24.984 17.819 1.427 1.00 0.00 C ATOM 251 O THR A 19 25.829 18.466 0.811 1.00 0.00 O ATOM 252 CB THR A 19 22.787 18.744 0.689 1.00 0.00 C ATOM 253 OG1 THR A 19 22.045 18.927 1.900 1.00 0.00 O ATOM 254 CG2 THR A 19 21.830 18.664 -0.491 1.00 0.00 C ATOM 0 H THR A 19 22.403 16.760 2.316 1.00 0.00 H new ATOM 0 HA THR A 19 23.818 17.079 -0.218 1.00 0.00 H new ATOM 0 HB THR A 19 23.453 19.594 0.539 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.228 18.387 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.234 19.575 -0.538 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.399 18.554 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.170 17.805 -0.367 1.00 0.00 H new ATOM 262 N GLY A 20 25.170 17.386 2.670 1.00 0.00 N ATOM 263 CA GLY A 20 26.408 17.662 3.375 1.00 0.00 C ATOM 264 C GLY A 20 26.219 18.646 4.513 1.00 0.00 C ATOM 265 O GLY A 20 27.191 19.153 5.072 1.00 0.00 O ATOM 0 H GLY A 20 24.485 16.849 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.814 16.730 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.142 18.059 2.673 1.00 0.00 H new ATOM 269 N GLY A 21 24.964 18.918 4.857 1.00 0.00 N ATOM 270 CA GLY A 21 24.674 19.848 5.933 1.00 0.00 C ATOM 271 C GLY A 21 24.569 19.161 7.280 1.00 0.00 C ATOM 272 O GLY A 21 24.998 18.020 7.455 1.00 0.00 O ATOM 0 H GLY A 21 24.143 18.511 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.456 20.606 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.739 20.366 5.719 1.00 0.00 H new ATOM 276 N PRO A 22 23.988 19.864 8.264 1.00 0.00 N ATOM 277 CA PRO A 22 23.816 19.335 9.620 1.00 0.00 C ATOM 278 C PRO A 22 22.783 18.215 9.678 1.00 0.00 C ATOM 279 O PRO A 22 21.737 18.287 9.034 1.00 0.00 O ATOM 280 CB PRO A 22 23.332 20.550 10.415 1.00 0.00 C ATOM 281 CG PRO A 22 22.687 21.433 9.404 1.00 0.00 C ATOM 282 CD PRO A 22 23.454 21.230 8.127 1.00 0.00 C ATOM 0 HA PRO A 22 24.735 18.894 10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.627 20.258 11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.162 21.055 10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.636 21.174 9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.722 22.476 9.718 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.810 21.324 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.252 21.964 8.016 1.00 0.00 H new ATOM 290 N GLY A 23 23.084 17.179 10.455 1.00 0.00 N ATOM 291 CA GLY A 23 22.171 16.058 10.583 1.00 0.00 C ATOM 292 C GLY A 23 22.856 14.809 11.103 1.00 0.00 C ATOM 293 O GLY A 23 23.968 14.858 11.628 1.00 0.00 O ATOM 0 H GLY A 23 23.943 17.096 10.998 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.358 16.330 11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.723 15.846 9.612 1.00 0.00 H new ATOM 297 N PRO A 24 22.183 13.658 10.959 1.00 0.00 N ATOM 298 CA PRO A 24 20.858 13.587 10.336 1.00 0.00 C ATOM 299 C PRO A 24 19.776 14.225 11.201 1.00 0.00 C ATOM 300 O PRO A 24 19.746 14.033 12.416 1.00 0.00 O ATOM 301 CB PRO A 24 20.612 12.083 10.195 1.00 0.00 C ATOM 302 CG PRO A 24 21.448 11.461 11.259 1.00 0.00 C ATOM 303 CD PRO A 24 22.664 12.336 11.395 1.00 0.00 C ATOM 0 HA PRO A 24 20.823 14.129 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.558 11.840 10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.900 11.726 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.902 11.403 12.200 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.728 10.443 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.029 12.360 12.422 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.486 11.982 10.772 1.00 0.00 H new ATOM 311 N SER A 25 18.889 14.985 10.566 1.00 0.00 N ATOM 312 CA SER A 25 17.807 15.654 11.278 1.00 0.00 C ATOM 313 C SER A 25 16.861 14.637 11.909 1.00 0.00 C ATOM 314 O SER A 25 16.849 13.458 11.554 1.00 0.00 O ATOM 315 CB SER A 25 17.031 16.568 10.328 1.00 0.00 C ATOM 316 OG SER A 25 15.913 15.896 9.774 1.00 0.00 O ATOM 0 H SER A 25 18.899 15.153 9.560 1.00 0.00 H new ATOM 0 HA SER A 25 18.247 16.257 12.072 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.696 17.456 10.865 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.688 16.908 9.528 1.00 0.00 H new ATOM 0 HG SER A 25 15.433 16.502 9.172 1.00 0.00 H new ATOM 322 N PRO A 26 16.048 15.102 12.869 1.00 0.00 N ATOM 323 CA PRO A 26 15.083 14.250 13.571 1.00 0.00 C ATOM 324 C PRO A 26 13.932 13.815 12.670 1.00 0.00 C ATOM 325 O PRO A 26 13.505 12.662 12.708 1.00 0.00 O ATOM 326 CB PRO A 26 14.569 15.150 14.698 1.00 0.00 C ATOM 327 CG PRO A 26 14.770 16.538 14.195 1.00 0.00 C ATOM 328 CD PRO A 26 16.008 16.496 13.343 1.00 0.00 C ATOM 0 HA PRO A 26 15.537 13.323 13.921 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.518 14.955 14.913 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.120 14.980 15.623 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.909 16.871 13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.889 17.239 15.021 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.949 17.201 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.899 16.751 13.916 1.00 0.00 H new ATOM 336 N GLN A 27 13.435 14.746 11.862 1.00 0.00 N ATOM 337 CA GLN A 27 12.333 14.457 10.952 1.00 0.00 C ATOM 338 C GLN A 27 12.752 13.442 9.893 1.00 0.00 C ATOM 339 O GLN A 27 11.948 12.620 9.454 1.00 0.00 O ATOM 340 CB GLN A 27 11.849 15.743 10.279 1.00 0.00 C ATOM 341 CG GLN A 27 10.843 16.523 11.110 1.00 0.00 C ATOM 342 CD GLN A 27 10.779 17.988 10.724 1.00 0.00 C ATOM 343 OE1 GLN A 27 10.023 18.374 9.832 1.00 0.00 O ATOM 344 NE2 GLN A 27 11.574 18.813 11.396 1.00 0.00 N ATOM 0 H GLN A 27 13.778 15.706 11.819 1.00 0.00 H new ATOM 0 HA GLN A 27 11.517 14.030 11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.709 16.380 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.398 15.493 9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.856 16.076 10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.106 16.440 12.164 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.185 18.450 12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.574 19.810 11.180 1.00 0.00 H new ATOM 353 N CYS A 28 14.016 13.505 9.488 1.00 0.00 N ATOM 354 CA CYS A 28 14.543 12.593 8.481 1.00 0.00 C ATOM 355 C CYS A 28 14.596 11.164 9.015 1.00 0.00 C ATOM 356 O CYS A 28 14.119 10.230 8.370 1.00 0.00 O ATOM 357 CB CYS A 28 15.940 13.037 8.041 1.00 0.00 C ATOM 358 SG CYS A 28 16.855 11.779 7.093 1.00 0.00 S ATOM 0 H CYS A 28 14.695 14.179 9.842 1.00 0.00 H new ATOM 0 HA CYS A 28 13.874 12.616 7.621 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.849 13.938 7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.520 13.304 8.924 1.00 0.00 H new ATOM 363 N CYS A 29 15.178 11.003 10.198 1.00 0.00 N ATOM 364 CA CYS A 29 15.294 9.689 10.821 1.00 0.00 C ATOM 365 C CYS A 29 13.937 8.995 10.882 1.00 0.00 C ATOM 366 O CYS A 29 13.804 7.834 10.498 1.00 0.00 O ATOM 367 CB CYS A 29 15.877 9.819 12.230 1.00 0.00 C ATOM 368 SG CYS A 29 17.670 10.141 12.266 1.00 0.00 S ATOM 0 H CYS A 29 15.577 11.766 10.745 1.00 0.00 H new ATOM 0 HA CYS A 29 15.965 9.083 10.212 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.363 10.627 12.751 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.672 8.902 12.782 1.00 0.00 H new ATOM 373 N GLY A 30 12.931 9.715 11.369 1.00 0.00 N ATOM 374 CA GLY A 30 11.597 9.152 11.471 1.00 0.00 C ATOM 375 C GLY A 30 11.070 8.662 10.137 1.00 0.00 C ATOM 376 O GLY A 30 10.518 7.566 10.045 1.00 0.00 O ATOM 0 H GLY A 30 13.016 10.678 11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.609 8.324 12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.918 9.905 11.872 1.00 0.00 H new ATOM 380 N GLY A 31 11.240 9.476 9.100 1.00 0.00 N ATOM 381 CA GLY A 31 10.770 9.102 7.779 1.00 0.00 C ATOM 382 C GLY A 31 11.534 7.926 7.203 1.00 0.00 C ATOM 383 O GLY A 31 10.947 7.037 6.585 1.00 0.00 O ATOM 0 H GLY A 31 11.695 10.388 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.710 8.852 7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.864 9.956 7.108 1.00 0.00 H new ATOM 387 N VAL A 32 12.848 7.920 7.405 1.00 0.00 N ATOM 388 CA VAL A 32 13.694 6.844 6.901 1.00 0.00 C ATOM 389 C VAL A 32 13.205 5.486 7.391 1.00 0.00 C ATOM 390 O VAL A 32 12.892 4.601 6.594 1.00 0.00 O ATOM 391 CB VAL A 32 15.161 7.035 7.331 1.00 0.00 C ATOM 392 CG1 VAL A 32 16.018 5.881 6.834 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.695 8.365 6.822 1.00 0.00 C ATOM 0 H VAL A 32 13.350 8.648 7.914 1.00 0.00 H new ATOM 0 HA VAL A 32 13.635 6.878 5.813 1.00 0.00 H new ATOM 0 HB VAL A 32 15.205 7.045 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.051 6.034 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.646 4.945 7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.972 5.836 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.732 8.484 7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.639 8.387 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.097 9.178 7.233 1.00 0.00 H new ATOM 403 N LYS A 33 13.143 5.325 8.709 1.00 0.00 N ATOM 404 CA LYS A 33 12.690 4.075 9.307 1.00 0.00 C ATOM 405 C LYS A 33 11.288 3.718 8.826 1.00 0.00 C ATOM 406 O LYS A 33 10.892 2.552 8.843 1.00 0.00 O ATOM 407 CB LYS A 33 12.706 4.181 10.834 1.00 0.00 C ATOM 408 CG LYS A 33 14.081 3.975 11.444 1.00 0.00 C ATOM 409 CD LYS A 33 14.079 4.267 12.935 1.00 0.00 C ATOM 410 CE LYS A 33 14.431 3.029 13.746 1.00 0.00 C ATOM 411 NZ LYS A 33 13.786 3.044 15.088 1.00 0.00 N ATOM 0 H LYS A 33 13.401 6.045 9.383 1.00 0.00 H new ATOM 0 HA LYS A 33 13.373 3.284 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.332 5.162 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.020 3.442 11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.405 2.948 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.802 4.624 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.794 5.061 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.096 4.632 13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.118 2.138 13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.513 2.967 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.050 2.184 15.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.104 3.881 15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.753 3.077 14.976 1.00 0.00 H new ATOM 425 N LYS A 34 10.540 4.728 8.395 1.00 0.00 N ATOM 426 CA LYS A 34 9.182 4.520 7.906 1.00 0.00 C ATOM 427 C LYS A 34 9.193 3.865 6.529 1.00 0.00 C ATOM 428 O LYS A 34 8.391 2.974 6.247 1.00 0.00 O ATOM 429 CB LYS A 34 8.432 5.853 7.843 1.00 0.00 C ATOM 430 CG LYS A 34 6.920 5.701 7.848 1.00 0.00 C ATOM 431 CD LYS A 34 6.242 6.854 7.127 1.00 0.00 C ATOM 432 CE LYS A 34 5.222 7.546 8.019 1.00 0.00 C ATOM 433 NZ LYS A 34 5.869 8.482 8.979 1.00 0.00 N ATOM 0 H LYS A 34 10.851 5.699 8.374 1.00 0.00 H new ATOM 0 HA LYS A 34 8.670 3.854 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.730 6.468 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.732 6.387 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.646 4.760 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.562 5.652 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.993 7.575 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.749 6.483 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.511 8.094 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.654 6.797 8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.141 8.933 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.528 7.955 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.391 9.212 8.454 1.00 0.00 H new ATOM 447 N LEU A 35 10.108 4.310 5.675 1.00 0.00 N ATOM 448 CA LEU A 35 10.226 3.765 4.327 1.00 0.00 C ATOM 449 C LEU A 35 10.648 2.300 4.366 1.00 0.00 C ATOM 450 O LEU A 35 10.188 1.488 3.563 1.00 0.00 O ATOM 451 CB LEU A 35 11.235 4.578 3.513 1.00 0.00 C ATOM 452 CG LEU A 35 11.219 4.347 2.002 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.865 5.518 1.277 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.927 3.046 1.653 1.00 0.00 C ATOM 0 H LEU A 35 10.779 5.047 5.892 1.00 0.00 H new ATOM 0 HA LEU A 35 9.248 3.829 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.054 5.636 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.235 4.355 3.884 1.00 0.00 H new ATOM 0 HG LEU A 35 10.182 4.271 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.845 5.336 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.316 6.432 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.898 5.625 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.906 2.898 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.962 3.092 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.421 2.214 2.143 1.00 0.00 H new ATOM 466 N LEU A 36 11.525 1.969 5.307 1.00 0.00 N ATOM 467 CA LEU A 36 12.009 0.600 5.454 1.00 0.00 C ATOM 468 C LEU A 36 10.997 -0.258 6.206 1.00 0.00 C ATOM 469 O LEU A 36 10.872 -1.455 5.952 1.00 0.00 O ATOM 470 CB LEU A 36 13.351 0.588 6.189 1.00 0.00 C ATOM 471 CG LEU A 36 14.451 1.466 5.591 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.588 1.648 6.585 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.967 0.864 4.292 1.00 0.00 C ATOM 0 H LEU A 36 11.916 2.629 5.980 1.00 0.00 H new ATOM 0 HA LEU A 36 12.144 0.180 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.182 0.903 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.713 -0.439 6.226 1.00 0.00 H new ATOM 0 HG LEU A 36 14.028 2.446 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.362 2.275 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.208 2.124 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 36 16.010 0.675 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.749 1.502 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.374 -0.128 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.148 0.786 3.576 1.00 0.00 H new ATOM 485 N ALA A 37 10.274 0.364 7.132 1.00 0.00 N ATOM 486 CA ALA A 37 9.269 -0.341 7.918 1.00 0.00 C ATOM 487 C ALA A 37 8.019 -0.618 7.090 1.00 0.00 C ATOM 488 O ALA A 37 7.290 -1.574 7.351 1.00 0.00 O ATOM 489 CB ALA A 37 8.914 0.461 9.162 1.00 0.00 C ATOM 0 H ALA A 37 10.366 1.355 7.356 1.00 0.00 H new ATOM 0 HA ALA A 37 9.689 -1.299 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.162 -0.077 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.807 0.602 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.518 1.433 8.868 1.00 0.00 H new ATOM 495 N ALA A 38 7.778 0.225 6.091 1.00 0.00 N ATOM 496 CA ALA A 38 6.617 0.069 5.224 1.00 0.00 C ATOM 497 C ALA A 38 6.902 -0.917 4.096 1.00 0.00 C ATOM 498 O ALA A 38 6.024 -1.222 3.289 1.00 0.00 O ATOM 499 CB ALA A 38 6.198 1.417 4.656 1.00 0.00 C ATOM 0 H ALA A 38 8.371 1.023 5.862 1.00 0.00 H new ATOM 0 HA ALA A 38 5.799 -0.331 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.330 1.286 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.944 2.093 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.020 1.839 4.078 1.00 0.00 H new ATOM 505 N ALA A 39 8.134 -1.411 4.046 1.00 0.00 N ATOM 506 CA ALA A 39 8.534 -2.363 3.018 1.00 0.00 C ATOM 507 C ALA A 39 9.106 -3.633 3.638 1.00 0.00 C ATOM 508 O ALA A 39 10.315 -3.750 3.834 1.00 0.00 O ATOM 509 CB ALA A 39 9.549 -1.730 2.077 1.00 0.00 C ATOM 0 H ALA A 39 8.873 -1.168 4.706 1.00 0.00 H new ATOM 0 HA ALA A 39 7.647 -2.636 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.839 -2.453 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.106 -0.856 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.430 -1.427 2.643 1.00 0.00 H new ATOM 515 N ASN A 40 8.229 -4.583 3.946 1.00 0.00 N ATOM 516 CA ASN A 40 8.647 -5.845 4.546 1.00 0.00 C ATOM 517 C ASN A 40 9.033 -6.857 3.471 1.00 0.00 C ATOM 518 O ASN A 40 9.999 -7.605 3.625 1.00 0.00 O ATOM 519 CB ASN A 40 7.527 -6.414 5.419 1.00 0.00 C ATOM 520 CG ASN A 40 6.189 -6.433 4.704 1.00 0.00 C ATOM 521 OD1 ASN A 40 5.770 -7.462 4.175 1.00 0.00 O ATOM 522 ND2 ASN A 40 5.513 -5.290 4.687 1.00 0.00 N ATOM 0 H ASN A 40 7.224 -4.503 3.790 1.00 0.00 H new ATOM 0 HA ASN A 40 9.521 -5.651 5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.787 -7.428 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.441 -5.819 6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.607 -5.240 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.900 -4.462 5.139 1.00 0.00 H new ATOM 529 N THR A 41 8.273 -6.873 2.380 1.00 0.00 N ATOM 530 CA THR A 41 8.535 -7.792 1.280 1.00 0.00 C ATOM 531 C THR A 41 9.547 -7.205 0.302 1.00 0.00 C ATOM 532 O THR A 41 10.130 -6.150 0.554 1.00 0.00 O ATOM 533 CB THR A 41 7.242 -8.137 0.517 1.00 0.00 C ATOM 534 OG1 THR A 41 6.773 -6.989 -0.197 1.00 0.00 O ATOM 535 CG2 THR A 41 6.163 -8.622 1.473 1.00 0.00 C ATOM 0 H THR A 41 7.471 -6.260 2.235 1.00 0.00 H new ATOM 0 HA THR A 41 8.944 -8.702 1.719 1.00 0.00 H new ATOM 0 HB THR A 41 7.466 -8.937 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.952 -7.217 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.259 -8.860 0.912 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.512 -9.514 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.943 -7.840 2.200 1.00 0.00 H new ATOM 543 N THR A 42 9.751 -7.895 -0.816 1.00 0.00 N ATOM 544 CA THR A 42 10.694 -7.442 -1.831 1.00 0.00 C ATOM 545 C THR A 42 10.062 -6.392 -2.738 1.00 0.00 C ATOM 546 O THR A 42 10.627 -5.325 -2.980 1.00 0.00 O ATOM 547 CB THR A 42 11.195 -8.615 -2.695 1.00 0.00 C ATOM 548 OG1 THR A 42 11.151 -9.832 -1.942 1.00 0.00 O ATOM 549 CG2 THR A 42 12.615 -8.363 -3.178 1.00 0.00 C ATOM 0 H THR A 42 9.276 -8.769 -1.041 1.00 0.00 H new ATOM 0 HA THR A 42 11.540 -7.001 -1.303 1.00 0.00 H new ATOM 0 HB THR A 42 10.542 -8.702 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.469 -10.573 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.947 -9.205 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.640 -7.452 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.277 -8.252 -2.319 1.00 0.00 H new ATOM 557 N PRO A 43 8.861 -6.697 -3.251 1.00 0.00 N ATOM 558 CA PRO A 43 8.126 -5.791 -4.139 1.00 0.00 C ATOM 559 C PRO A 43 8.070 -4.367 -3.595 1.00 0.00 C ATOM 560 O PRO A 43 8.268 -3.402 -4.334 1.00 0.00 O ATOM 561 CB PRO A 43 6.723 -6.401 -4.186 1.00 0.00 C ATOM 562 CG PRO A 43 6.930 -7.848 -3.898 1.00 0.00 C ATOM 563 CD PRO A 43 8.128 -7.950 -3.005 1.00 0.00 C ATOM 0 HA PRO A 43 8.600 -5.704 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.066 -5.940 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.260 -6.254 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.051 -8.274 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.088 -8.406 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.839 -8.045 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.735 -8.822 -3.249 1.00 0.00 H new ATOM 571 N ASP A 44 7.799 -4.243 -2.301 1.00 0.00 N ATOM 572 CA ASP A 44 7.718 -2.937 -1.658 1.00 0.00 C ATOM 573 C ASP A 44 9.072 -2.235 -1.682 1.00 0.00 C ATOM 574 O ASP A 44 9.157 -1.036 -1.951 1.00 0.00 O ATOM 575 CB ASP A 44 7.231 -3.083 -0.216 1.00 0.00 C ATOM 576 CG ASP A 44 5.721 -3.005 -0.104 1.00 0.00 C ATOM 577 OD1 ASP A 44 5.038 -3.211 -1.130 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.222 -2.739 1.009 1.00 0.00 O ATOM 0 H ASP A 44 7.632 -5.032 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 44 7.004 -2.330 -2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.573 -4.037 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.679 -2.300 0.397 1.00 0.00 H new ATOM 583 N ARG A 45 10.129 -2.989 -1.397 1.00 0.00 N ATOM 584 CA ARG A 45 11.479 -2.438 -1.383 1.00 0.00 C ATOM 585 C ARG A 45 11.890 -1.970 -2.776 1.00 0.00 C ATOM 586 O ARG A 45 12.542 -0.937 -2.926 1.00 0.00 O ATOM 587 CB ARG A 45 12.473 -3.482 -0.871 1.00 0.00 C ATOM 588 CG ARG A 45 12.348 -3.763 0.618 1.00 0.00 C ATOM 589 CD ARG A 45 13.352 -4.811 1.073 1.00 0.00 C ATOM 590 NE ARG A 45 12.847 -5.602 2.193 1.00 0.00 N ATOM 591 CZ ARG A 45 12.865 -5.185 3.454 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.359 -3.991 3.754 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.388 -5.961 4.418 1.00 0.00 N ATOM 0 H ARG A 45 10.077 -3.983 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 45 11.487 -1.579 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.326 -4.411 -1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.486 -3.142 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.504 -2.841 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.337 -4.105 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.589 -5.472 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.281 -4.321 1.365 1.00 0.00 H new ATOM 0 HE ARG A 45 12.460 -6.525 1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.726 -3.391 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.372 -3.673 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.007 -6.880 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.403 -5.639 5.386 1.00 0.00 H new ATOM 607 N GLN A 46 11.503 -2.737 -3.790 1.00 0.00 N ATOM 608 CA GLN A 46 11.832 -2.400 -5.170 1.00 0.00 C ATOM 609 C GLN A 46 11.299 -1.019 -5.536 1.00 0.00 C ATOM 610 O GLN A 46 12.038 -0.167 -6.027 1.00 0.00 O ATOM 611 CB GLN A 46 11.260 -3.451 -6.124 1.00 0.00 C ATOM 612 CG GLN A 46 11.546 -4.881 -5.696 1.00 0.00 C ATOM 613 CD GLN A 46 12.003 -5.755 -6.847 1.00 0.00 C ATOM 614 OE1 GLN A 46 12.962 -6.516 -6.722 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.316 -5.650 -7.979 1.00 0.00 N ATOM 0 H GLN A 46 10.962 -3.595 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 46 12.918 -2.386 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.182 -3.312 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.673 -3.289 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.312 -4.878 -4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.647 -5.310 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.527 -5.006 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.577 -6.213 -8.788 1.00 0.00 H new ATOM 624 N ALA A 47 10.010 -0.805 -5.294 1.00 0.00 N ATOM 625 CA ALA A 47 9.377 0.473 -5.596 1.00 0.00 C ATOM 626 C ALA A 47 10.117 1.624 -4.924 1.00 0.00 C ATOM 627 O ALA A 47 10.639 2.514 -5.595 1.00 0.00 O ATOM 628 CB ALA A 47 7.919 0.456 -5.163 1.00 0.00 C ATOM 0 H ALA A 47 9.383 -1.501 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 47 9.422 0.627 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.459 1.417 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.391 -0.336 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.860 0.275 -4.090 1.00 0.00 H new ATOM 634 N ALA A 48 10.158 1.600 -3.596 1.00 0.00 N ATOM 635 CA ALA A 48 10.836 2.642 -2.834 1.00 0.00 C ATOM 636 C ALA A 48 12.258 2.855 -3.340 1.00 0.00 C ATOM 637 O ALA A 48 12.650 3.975 -3.669 1.00 0.00 O ATOM 638 CB ALA A 48 10.847 2.290 -1.354 1.00 0.00 C ATOM 0 H ALA A 48 9.730 0.871 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 48 10.287 3.574 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.356 3.076 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.822 2.196 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.371 1.345 -1.209 1.00 0.00 H new ATOM 644 N CYS A 49 13.028 1.774 -3.399 1.00 0.00 N ATOM 645 CA CYS A 49 14.409 1.842 -3.863 1.00 0.00 C ATOM 646 C CYS A 49 14.506 2.633 -5.164 1.00 0.00 C ATOM 647 O CYS A 49 15.411 3.448 -5.340 1.00 0.00 O ATOM 648 CB CYS A 49 14.970 0.433 -4.067 1.00 0.00 C ATOM 649 SG CYS A 49 15.562 -0.360 -2.538 1.00 0.00 S ATOM 0 H CYS A 49 12.719 0.840 -3.131 1.00 0.00 H new ATOM 0 HA CYS A 49 14.998 2.354 -3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.197 -0.193 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.792 0.481 -4.781 1.00 0.00 H new ATOM 654 N ASN A 50 13.568 2.387 -6.072 1.00 0.00 N ATOM 655 CA ASN A 50 13.548 3.077 -7.357 1.00 0.00 C ATOM 656 C ASN A 50 13.382 4.581 -7.165 1.00 0.00 C ATOM 657 O ASN A 50 14.084 5.379 -7.787 1.00 0.00 O ATOM 658 CB ASN A 50 12.415 2.536 -8.232 1.00 0.00 C ATOM 659 CG ASN A 50 12.548 1.048 -8.495 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.656 0.514 -8.559 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.416 0.371 -8.649 1.00 0.00 N ATOM 0 H ASN A 50 12.812 1.715 -5.942 1.00 0.00 H new ATOM 0 HA ASN A 50 14.501 2.895 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.459 2.732 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.406 3.071 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.442 -0.633 -8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.520 0.855 -8.588 1.00 0.00 H new ATOM 668 N CYS A 51 12.450 4.962 -6.298 1.00 0.00 N ATOM 669 CA CYS A 51 12.191 6.370 -6.023 1.00 0.00 C ATOM 670 C CYS A 51 13.365 7.004 -5.281 1.00 0.00 C ATOM 671 O CYS A 51 13.651 8.190 -5.448 1.00 0.00 O ATOM 672 CB CYS A 51 10.911 6.524 -5.199 1.00 0.00 C ATOM 673 SG CYS A 51 9.381 6.219 -6.139 1.00 0.00 S ATOM 0 H CYS A 51 11.861 4.315 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 51 12.065 6.883 -6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.950 5.835 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.876 7.532 -4.786 1.00 0.00 H new ATOM 678 N LEU A 52 14.041 6.206 -4.462 1.00 0.00 N ATOM 679 CA LEU A 52 15.184 6.687 -3.695 1.00 0.00 C ATOM 680 C LEU A 52 16.390 6.916 -4.601 1.00 0.00 C ATOM 681 O LEU A 52 16.960 8.007 -4.630 1.00 0.00 O ATOM 682 CB LEU A 52 15.542 5.688 -2.594 1.00 0.00 C ATOM 683 CG LEU A 52 14.850 5.898 -1.246 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.177 4.758 -0.295 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.257 7.234 -0.641 1.00 0.00 C ATOM 0 H LEU A 52 13.817 5.222 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 52 14.909 7.638 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.304 4.685 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.620 5.723 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 52 13.772 5.909 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.676 4.925 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.835 3.816 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.254 4.714 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.756 7.367 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.337 7.252 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.971 8.041 -1.315 1.00 0.00 H new ATOM 697 N LYS A 53 16.773 5.881 -5.340 1.00 0.00 N ATOM 698 CA LYS A 53 17.909 5.969 -6.251 1.00 0.00 C ATOM 699 C LYS A 53 17.787 7.190 -7.156 1.00 0.00 C ATOM 700 O LYS A 53 18.770 7.887 -7.410 1.00 0.00 O ATOM 701 CB LYS A 53 18.008 4.699 -7.099 1.00 0.00 C ATOM 702 CG LYS A 53 19.430 4.342 -7.496 1.00 0.00 C ATOM 703 CD LYS A 53 19.769 2.909 -7.125 1.00 0.00 C ATOM 704 CE LYS A 53 19.126 1.918 -8.083 1.00 0.00 C ATOM 705 NZ LYS A 53 19.979 1.666 -9.277 1.00 0.00 N ATOM 0 H LYS A 53 16.313 4.970 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 53 18.815 6.071 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.575 3.867 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.409 4.827 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.554 4.480 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.127 5.021 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.851 2.776 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.431 2.706 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.942 0.978 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.157 2.300 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.374 1.489 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.578 2.497 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.581 0.836 -9.104 1.00 0.00 H new ATOM 719 N SER A 54 16.575 7.445 -7.639 1.00 0.00 N ATOM 720 CA SER A 54 16.326 8.582 -8.518 1.00 0.00 C ATOM 721 C SER A 54 16.352 9.890 -7.735 1.00 0.00 C ATOM 722 O SER A 54 16.692 10.943 -8.274 1.00 0.00 O ATOM 723 CB SER A 54 14.977 8.422 -9.222 1.00 0.00 C ATOM 724 OG SER A 54 14.520 9.662 -9.734 1.00 0.00 O ATOM 0 H SER A 54 15.750 6.880 -7.437 1.00 0.00 H new ATOM 0 HA SER A 54 17.118 8.612 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.070 7.701 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.243 8.021 -8.523 1.00 0.00 H new ATOM 0 HG SER A 54 13.657 9.534 -10.181 1.00 0.00 H new ATOM 730 N ALA A 55 15.991 9.816 -6.458 1.00 0.00 N ATOM 731 CA ALA A 55 15.974 10.993 -5.598 1.00 0.00 C ATOM 732 C ALA A 55 17.388 11.499 -5.333 1.00 0.00 C ATOM 733 O ALA A 55 17.697 12.664 -5.580 1.00 0.00 O ATOM 734 CB ALA A 55 15.269 10.679 -4.287 1.00 0.00 C ATOM 0 H ALA A 55 15.706 8.952 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 55 15.425 11.781 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.264 11.567 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.243 10.372 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.794 9.873 -3.775 1.00 0.00 H new ATOM 740 N ALA A 56 18.243 10.615 -4.829 1.00 0.00 N ATOM 741 CA ALA A 56 19.625 10.973 -4.531 1.00 0.00 C ATOM 742 C ALA A 56 20.389 11.317 -5.805 1.00 0.00 C ATOM 743 O ALA A 56 21.424 11.980 -5.760 1.00 0.00 O ATOM 744 CB ALA A 56 20.315 9.838 -3.789 1.00 0.00 C ATOM 0 H ALA A 56 18.003 9.646 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 56 19.617 11.857 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.346 10.118 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.789 9.641 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.305 8.940 -4.407 1.00 0.00 H new ATOM 750 N GLY A 57 19.872 10.861 -6.942 1.00 0.00 N ATOM 751 CA GLY A 57 20.519 11.130 -8.213 1.00 0.00 C ATOM 752 C GLY A 57 20.640 12.613 -8.499 1.00 0.00 C ATOM 753 O GLY A 57 21.437 13.027 -9.340 1.00 0.00 O ATOM 0 H GLY A 57 19.016 10.310 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.512 10.681 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.953 10.654 -9.013 1.00 0.00 H new ATOM 757 N SER A 58 19.845 13.416 -7.799 1.00 0.00 N ATOM 758 CA SER A 58 19.862 14.862 -7.986 1.00 0.00 C ATOM 759 C SER A 58 20.676 15.542 -6.890 1.00 0.00 C ATOM 760 O SER A 58 20.500 16.730 -6.617 1.00 0.00 O ATOM 761 CB SER A 58 18.435 15.414 -7.994 1.00 0.00 C ATOM 762 OG SER A 58 18.424 16.795 -8.310 1.00 0.00 O ATOM 0 H SER A 58 19.181 13.090 -7.097 1.00 0.00 H new ATOM 0 HA SER A 58 20.331 15.073 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.834 14.867 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.976 15.257 -7.018 1.00 0.00 H new ATOM 0 HG SER A 58 19.136 17.250 -7.813 1.00 0.00 H new ATOM 768 N ILE A 59 21.567 14.781 -6.265 1.00 0.00 N ATOM 769 CA ILE A 59 22.409 15.309 -5.199 1.00 0.00 C ATOM 770 C ILE A 59 23.778 15.720 -5.732 1.00 0.00 C ATOM 771 O ILE A 59 24.529 14.892 -6.250 1.00 0.00 O ATOM 772 CB ILE A 59 22.599 14.280 -4.068 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.244 13.882 -3.479 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.508 14.844 -2.986 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.531 15.019 -2.780 1.00 0.00 C ATOM 0 H ILE A 59 21.725 13.796 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 59 21.899 16.185 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 59 23.070 13.389 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.608 13.501 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.390 13.066 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.633 14.105 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.481 15.083 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.063 15.749 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.578 14.664 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.148 15.385 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.353 15.827 -3.489 1.00 0.00 H new ATOM 787 N THR A 60 24.098 17.003 -5.600 1.00 0.00 N ATOM 788 CA THR A 60 25.376 17.524 -6.067 1.00 0.00 C ATOM 789 C THR A 60 26.538 16.893 -5.308 1.00 0.00 C ATOM 790 O THR A 60 26.721 17.140 -4.116 1.00 0.00 O ATOM 791 CB THR A 60 25.449 19.055 -5.914 1.00 0.00 C ATOM 792 OG1 THR A 60 26.774 19.514 -6.200 1.00 0.00 O ATOM 793 CG2 THR A 60 25.053 19.477 -4.507 1.00 0.00 C ATOM 0 H THR A 60 23.489 17.701 -5.173 1.00 0.00 H new ATOM 0 HA THR A 60 25.454 17.268 -7.124 1.00 0.00 H new ATOM 0 HB THR A 60 24.750 19.502 -6.621 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.811 20.488 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.112 20.562 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.033 19.152 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.730 19.020 -3.786 1.00 0.00 H new ATOM 801 N LYS A 61 27.321 16.078 -6.006 1.00 0.00 N ATOM 802 CA LYS A 61 28.467 15.412 -5.399 1.00 0.00 C ATOM 803 C LYS A 61 28.032 14.544 -4.223 1.00 0.00 C ATOM 804 O LYS A 61 28.495 14.729 -3.097 1.00 0.00 O ATOM 805 CB LYS A 61 29.495 16.445 -4.932 1.00 0.00 C ATOM 806 CG LYS A 61 30.433 16.911 -6.032 1.00 0.00 C ATOM 807 CD LYS A 61 31.551 17.780 -5.481 1.00 0.00 C ATOM 808 CE LYS A 61 32.542 16.963 -4.666 1.00 0.00 C ATOM 809 NZ LYS A 61 33.951 17.344 -4.963 1.00 0.00 N ATOM 0 H LYS A 61 27.183 15.863 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 61 28.923 14.770 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.970 17.309 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.084 16.018 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.860 16.045 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.870 17.471 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.072 18.270 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.128 18.568 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.343 17.105 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.400 15.903 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.596 16.765 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.149 17.184 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.094 18.349 -4.737 1.00 0.00 H new ATOM 823 N LEU A 62 27.141 13.596 -4.491 1.00 0.00 N ATOM 824 CA LEU A 62 26.645 12.697 -3.454 1.00 0.00 C ATOM 825 C LEU A 62 27.799 12.062 -2.686 1.00 0.00 C ATOM 826 O LEU A 62 28.811 11.678 -3.272 1.00 0.00 O ATOM 827 CB LEU A 62 25.768 11.608 -4.073 1.00 0.00 C ATOM 828 CG LEU A 62 25.303 10.501 -3.126 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.970 10.867 -2.491 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.198 9.175 -3.865 1.00 0.00 C ATOM 0 H LEU A 62 26.747 13.430 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 62 26.047 13.282 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.887 12.082 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.319 11.149 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 62 26.043 10.394 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.655 10.068 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.078 11.793 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.221 11.003 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.866 8.399 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.480 9.268 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.173 8.906 -4.271 1.00 0.00 H new ATOM 842 N ASN A 63 27.639 11.952 -1.371 1.00 0.00 N ATOM 843 CA ASN A 63 28.667 11.361 -0.523 1.00 0.00 C ATOM 844 C ASN A 63 28.235 9.987 -0.020 1.00 0.00 C ATOM 845 O ASN A 63 27.411 9.876 0.889 1.00 0.00 O ATOM 846 CB ASN A 63 28.968 12.278 0.664 1.00 0.00 C ATOM 847 CG ASN A 63 30.401 12.151 1.145 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.885 11.049 1.403 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.086 13.282 1.267 1.00 0.00 N ATOM 0 H ASN A 63 26.807 12.264 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 63 29.571 11.242 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.774 13.312 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.290 12.041 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.055 13.260 1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.644 14.173 1.042 1.00 0.00 H new ATOM 856 N THR A 64 28.796 8.940 -0.618 1.00 0.00 N ATOM 857 CA THR A 64 28.469 7.573 -0.233 1.00 0.00 C ATOM 858 C THR A 64 28.655 7.365 1.266 1.00 0.00 C ATOM 859 O THR A 64 27.901 6.627 1.898 1.00 0.00 O ATOM 860 CB THR A 64 29.336 6.552 -0.992 1.00 0.00 C ATOM 861 OG1 THR A 64 30.710 6.954 -0.958 1.00 0.00 O ATOM 862 CG2 THR A 64 28.877 6.421 -2.437 1.00 0.00 C ATOM 0 H THR A 64 29.480 9.013 -1.371 1.00 0.00 H new ATOM 0 HA THR A 64 27.423 7.414 -0.493 1.00 0.00 H new ATOM 0 HB THR A 64 29.229 5.584 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.255 6.298 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.504 5.694 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.840 6.087 -2.460 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.958 7.388 -2.934 1.00 0.00 H new ATOM 870 N ASN A 65 29.663 8.022 1.829 1.00 0.00 N ATOM 871 CA ASN A 65 29.948 7.909 3.255 1.00 0.00 C ATOM 872 C ASN A 65 28.822 8.518 4.085 1.00 0.00 C ATOM 873 O ASN A 65 28.398 7.947 5.089 1.00 0.00 O ATOM 874 CB ASN A 65 31.272 8.599 3.589 1.00 0.00 C ATOM 875 CG ASN A 65 32.473 7.806 3.110 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.335 6.844 2.355 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.661 8.209 3.548 1.00 0.00 N ATOM 0 H ASN A 65 30.296 8.638 1.320 1.00 0.00 H new ATOM 0 HA ASN A 65 30.026 6.850 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.288 9.589 3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.342 8.743 4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.505 7.715 3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.728 9.012 4.173 1.00 0.00 H new ATOM 884 N ASN A 66 28.341 9.681 3.657 1.00 0.00 N ATOM 885 CA ASN A 66 27.263 10.368 4.360 1.00 0.00 C ATOM 886 C ASN A 66 25.953 9.598 4.231 1.00 0.00 C ATOM 887 O ASN A 66 25.188 9.489 5.190 1.00 0.00 O ATOM 888 CB ASN A 66 27.091 11.786 3.811 1.00 0.00 C ATOM 889 CG ASN A 66 28.364 12.603 3.913 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.342 12.176 4.526 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.356 13.787 3.311 1.00 0.00 N ATOM 0 H ASN A 66 28.680 10.167 2.827 1.00 0.00 H new ATOM 0 HA ASN A 66 27.528 10.424 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.779 11.734 2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.294 12.290 4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.183 14.382 3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.522 14.101 2.814 1.00 0.00 H new ATOM 898 N ALA A 67 25.700 9.065 3.040 1.00 0.00 N ATOM 899 CA ALA A 67 24.483 8.303 2.787 1.00 0.00 C ATOM 900 C ALA A 67 24.373 7.114 3.735 1.00 0.00 C ATOM 901 O ALA A 67 23.288 6.792 4.219 1.00 0.00 O ATOM 902 CB ALA A 67 24.447 7.833 1.340 1.00 0.00 C ATOM 0 H ALA A 67 26.321 9.147 2.235 1.00 0.00 H new ATOM 0 HA ALA A 67 23.630 8.957 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.533 7.265 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.471 8.697 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.311 7.199 1.142 1.00 0.00 H new ATOM 908 N ALA A 68 25.502 6.464 3.995 1.00 0.00 N ATOM 909 CA ALA A 68 25.532 5.311 4.886 1.00 0.00 C ATOM 910 C ALA A 68 25.440 5.742 6.346 1.00 0.00 C ATOM 911 O ALA A 68 24.949 4.997 7.194 1.00 0.00 O ATOM 912 CB ALA A 68 26.796 4.497 4.654 1.00 0.00 C ATOM 0 H ALA A 68 26.408 6.716 3.601 1.00 0.00 H new ATOM 0 HA ALA A 68 24.665 4.689 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.805 3.639 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.820 4.149 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.670 5.119 4.848 1.00 0.00 H new ATOM 918 N ALA A 69 25.914 6.950 6.632 1.00 0.00 N ATOM 919 CA ALA A 69 25.884 7.481 7.990 1.00 0.00 C ATOM 920 C ALA A 69 24.468 7.880 8.391 1.00 0.00 C ATOM 921 O ALA A 69 24.133 7.911 9.576 1.00 0.00 O ATOM 922 CB ALA A 69 26.824 8.671 8.112 1.00 0.00 C ATOM 0 H ALA A 69 26.323 7.580 5.942 1.00 0.00 H new ATOM 0 HA ALA A 69 26.219 6.696 8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.792 9.057 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.841 8.357 7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.514 9.452 7.418 1.00 0.00 H new ATOM 928 N LEU A 70 23.640 8.184 7.398 1.00 0.00 N ATOM 929 CA LEU A 70 22.258 8.582 7.648 1.00 0.00 C ATOM 930 C LEU A 70 21.513 7.501 8.424 1.00 0.00 C ATOM 931 O LEU A 70 20.982 7.736 9.510 1.00 0.00 O ATOM 932 CB LEU A 70 21.541 8.864 6.327 1.00 0.00 C ATOM 933 CG LEU A 70 20.027 8.649 6.326 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.366 9.506 7.393 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.445 8.959 4.954 1.00 0.00 C ATOM 0 H LEU A 70 23.901 8.163 6.412 1.00 0.00 H new ATOM 0 HA LEU A 70 22.270 9.492 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.741 9.897 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.979 8.229 5.556 1.00 0.00 H new ATOM 0 HG LEU A 70 19.828 7.602 6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.289 9.340 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.761 9.236 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.574 10.558 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.367 8.801 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.655 9.997 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.896 8.302 4.211 1.00 0.00 H new ATOM 947 N PRO A 71 21.472 6.286 7.857 1.00 0.00 N ATOM 948 CA PRO A 71 20.796 5.144 8.479 1.00 0.00 C ATOM 949 C PRO A 71 21.525 4.646 9.722 1.00 0.00 C ATOM 950 O PRO A 71 20.900 4.282 10.717 1.00 0.00 O ATOM 951 CB PRO A 71 20.820 4.077 7.382 1.00 0.00 C ATOM 952 CG PRO A 71 21.989 4.434 6.532 1.00 0.00 C ATOM 953 CD PRO A 71 22.082 5.934 6.564 1.00 0.00 C ATOM 0 HA PRO A 71 19.793 5.401 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.928 3.078 7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.895 4.081 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.903 3.978 6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.855 4.073 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.116 6.274 6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.546 6.388 5.730 1.00 0.00 H new ATOM 961 N GLY A 72 22.854 4.634 9.659 1.00 0.00 N ATOM 962 CA GLY A 72 23.646 4.180 10.786 1.00 0.00 C ATOM 963 C GLY A 72 23.515 5.090 11.992 1.00 0.00 C ATOM 964 O GLY A 72 23.511 4.626 13.132 1.00 0.00 O ATOM 0 H GLY A 72 23.395 4.931 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.337 3.172 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.694 4.123 10.490 1.00 0.00 H new ATOM 968 N LYS A 73 23.409 6.390 11.741 1.00 0.00 N ATOM 969 CA LYS A 73 23.277 7.369 12.813 1.00 0.00 C ATOM 970 C LYS A 73 21.860 7.371 13.377 1.00 0.00 C ATOM 971 O LYS A 73 21.649 7.674 14.552 1.00 0.00 O ATOM 972 CB LYS A 73 23.637 8.766 12.304 1.00 0.00 C ATOM 973 CG LYS A 73 25.126 8.966 12.076 1.00 0.00 C ATOM 974 CD LYS A 73 25.692 10.036 12.994 1.00 0.00 C ATOM 975 CE LYS A 73 26.913 10.705 12.383 1.00 0.00 C ATOM 976 NZ LYS A 73 27.481 11.749 13.280 1.00 0.00 N ATOM 0 H LYS A 73 23.412 6.791 10.803 1.00 0.00 H new ATOM 0 HA LYS A 73 23.966 7.092 13.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.107 8.951 11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.285 9.507 13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.650 8.026 12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.302 9.246 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.927 10.786 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.961 9.590 13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.673 9.952 12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.641 11.155 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.312 12.181 12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.764 12.481 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.765 11.315 14.182 1.00 0.00 H new ATOM 990 N CYS A 74 20.892 7.031 12.533 1.00 0.00 N ATOM 991 CA CYS A 74 19.494 6.992 12.946 1.00 0.00 C ATOM 992 C CYS A 74 19.164 5.665 13.623 1.00 0.00 C ATOM 993 O CYS A 74 18.022 5.421 14.010 1.00 0.00 O ATOM 994 CB CYS A 74 18.578 7.205 11.740 1.00 0.00 C ATOM 995 SG CYS A 74 18.614 8.897 11.067 1.00 0.00 S ATOM 0 H CYS A 74 21.050 6.778 11.558 1.00 0.00 H new ATOM 0 HA CYS A 74 19.330 7.796 13.664 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.863 6.507 10.953 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.555 6.962 12.027 1.00 0.00 H new ATOM 1000 N GLY A 75 20.173 4.811 13.763 1.00 0.00 N ATOM 1001 CA GLY A 75 19.969 3.519 14.393 1.00 0.00 C ATOM 1002 C GLY A 75 19.166 2.571 13.526 1.00 0.00 C ATOM 1003 O GLY A 75 18.612 1.587 14.017 1.00 0.00 O ATOM 0 H GLY A 75 21.128 4.990 13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.937 3.070 14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.456 3.659 15.344 1.00 0.00 H new ATOM 1007 N VAL A 76 19.100 2.867 12.232 1.00 0.00 N ATOM 1008 CA VAL A 76 18.358 2.034 11.293 1.00 0.00 C ATOM 1009 C VAL A 76 19.211 1.678 10.081 1.00 0.00 C ATOM 1010 O VAL A 76 19.160 2.354 9.054 1.00 0.00 O ATOM 1011 CB VAL A 76 17.073 2.735 10.815 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.380 4.143 10.332 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.398 1.922 9.721 1.00 0.00 C ATOM 0 H VAL A 76 19.552 3.678 11.810 1.00 0.00 H new ATOM 0 HA VAL A 76 18.089 1.121 11.824 1.00 0.00 H new ATOM 0 HB VAL A 76 16.386 2.808 11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.459 4.622 9.998 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.815 4.721 11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.086 4.097 9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.492 2.432 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.078 1.814 8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.140 0.936 10.107 1.00 0.00 H new ATOM 1023 N ASN A 77 19.994 0.612 10.207 1.00 0.00 N ATOM 1024 CA ASN A 77 20.859 0.166 9.120 1.00 0.00 C ATOM 1025 C ASN A 77 20.129 -0.821 8.215 1.00 0.00 C ATOM 1026 O ASN A 77 19.326 -1.630 8.681 1.00 0.00 O ATOM 1027 CB ASN A 77 22.126 -0.482 9.683 1.00 0.00 C ATOM 1028 CG ASN A 77 21.826 -1.478 10.785 1.00 0.00 C ATOM 1029 OD1 ASN A 77 21.470 -2.626 10.520 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.968 -1.042 12.032 1.00 0.00 N ATOM 0 H ASN A 77 20.048 0.041 11.050 1.00 0.00 H new ATOM 0 HA ASN A 77 21.137 1.038 8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.661 -0.986 8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.787 0.294 10.069 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.780 -1.667 12.815 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.265 -0.082 12.206 1.00 0.00 H new ATOM 1037 N ILE A 78 20.414 -0.749 6.919 1.00 0.00 N ATOM 1038 CA ILE A 78 19.786 -1.637 5.948 1.00 0.00 C ATOM 1039 C ILE A 78 20.800 -2.612 5.360 1.00 0.00 C ATOM 1040 O ILE A 78 22.005 -2.361 5.346 1.00 0.00 O ATOM 1041 CB ILE A 78 19.129 -0.845 4.803 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.077 0.243 4.296 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.815 -0.235 5.268 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.931 1.560 5.026 1.00 0.00 C ATOM 0 H ILE A 78 21.076 -0.085 6.517 1.00 0.00 H new ATOM 0 HA ILE A 78 19.016 -2.194 6.481 1.00 0.00 H new ATOM 0 HB ILE A 78 18.920 -1.529 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 78 21.105 -0.106 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.897 0.404 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.362 0.322 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.138 -1.028 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 78 18.002 0.439 6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.634 2.284 4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.914 1.932 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.140 1.414 6.086 1.00 0.00 H new ATOM 1056 N PRO A 79 20.302 -3.753 4.859 1.00 0.00 N ATOM 1057 CA PRO A 79 21.147 -4.788 4.257 1.00 0.00 C ATOM 1058 C PRO A 79 21.743 -4.348 2.924 1.00 0.00 C ATOM 1059 O PRO A 79 22.606 -5.025 2.365 1.00 0.00 O ATOM 1060 CB PRO A 79 20.182 -5.958 4.051 1.00 0.00 C ATOM 1061 CG PRO A 79 18.837 -5.326 3.946 1.00 0.00 C ATOM 1062 CD PRO A 79 18.876 -4.119 4.841 1.00 0.00 C ATOM 0 HA PRO A 79 22.004 -5.030 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.427 -6.519 3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 79 20.226 -6.659 4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.619 -5.042 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 79 18.055 -6.018 4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 79 18.258 -3.310 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.507 -4.348 5.841 1.00 0.00 H new ATOM 1070 N TYR A 80 21.277 -3.211 2.420 1.00 0.00 N ATOM 1071 CA TYR A 80 21.763 -2.681 1.151 1.00 0.00 C ATOM 1072 C TYR A 80 22.274 -1.253 1.317 1.00 0.00 C ATOM 1073 O TYR A 80 22.077 -0.627 2.358 1.00 0.00 O ATOM 1074 CB TYR A 80 20.652 -2.719 0.100 1.00 0.00 C ATOM 1075 CG TYR A 80 19.325 -2.198 0.603 1.00 0.00 C ATOM 1076 CD1 TYR A 80 19.108 -0.836 0.769 1.00 0.00 C ATOM 1077 CD2 TYR A 80 18.287 -3.069 0.912 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.897 -0.356 1.229 1.00 0.00 C ATOM 1079 CE2 TYR A 80 17.072 -2.598 1.371 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.882 -1.241 1.528 1.00 0.00 C ATOM 1081 OH TYR A 80 15.674 -0.767 1.985 1.00 0.00 O ATOM 0 H TYR A 80 20.563 -2.638 2.871 1.00 0.00 H new ATOM 0 HA TYR A 80 22.591 -3.307 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.960 -2.130 -0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.523 -3.745 -0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.900 -0.140 0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 80 18.433 -4.132 0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.746 0.706 1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 80 16.275 -3.289 1.606 1.00 0.00 H new ATOM 0 HH TYR A 80 15.068 -1.520 2.148 1.00 0.00 H new ATOM 1091 N LYS A 81 22.931 -0.744 0.281 1.00 0.00 N ATOM 1092 CA LYS A 81 23.470 0.611 0.307 1.00 0.00 C ATOM 1093 C LYS A 81 22.585 1.564 -0.491 1.00 0.00 C ATOM 1094 O LYS A 81 21.589 1.150 -1.085 1.00 0.00 O ATOM 1095 CB LYS A 81 24.893 0.627 -0.255 1.00 0.00 C ATOM 1096 CG LYS A 81 25.938 0.113 0.719 1.00 0.00 C ATOM 1097 CD LYS A 81 27.321 0.084 0.090 1.00 0.00 C ATOM 1098 CE LYS A 81 27.871 1.488 -0.111 1.00 0.00 C ATOM 1099 NZ LYS A 81 27.929 1.859 -1.552 1.00 0.00 N ATOM 0 H LYS A 81 23.103 -1.249 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 81 23.492 0.947 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.924 0.021 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.149 1.646 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.954 0.747 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.667 -0.890 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 81 27.999 -0.486 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 81 27.275 -0.431 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.246 2.203 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.870 1.552 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.309 2.822 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.546 1.192 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 26.973 1.822 -1.959 1.00 0.00 H new ATOM 1113 N ILE A 82 22.957 2.840 -0.502 1.00 0.00 N ATOM 1114 CA ILE A 82 22.198 3.849 -1.230 1.00 0.00 C ATOM 1115 C ILE A 82 23.105 4.662 -2.147 1.00 0.00 C ATOM 1116 O ILE A 82 23.961 5.416 -1.683 1.00 0.00 O ATOM 1117 CB ILE A 82 21.468 4.806 -0.269 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.518 4.024 0.640 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.709 5.866 -1.052 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.180 3.490 1.891 1.00 0.00 C ATOM 0 H ILE A 82 23.779 3.199 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 82 21.460 3.317 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 82 22.209 5.305 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.688 4.670 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.095 3.191 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.198 6.534 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.408 6.439 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.975 5.385 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.447 2.947 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.992 2.818 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.579 4.320 2.474 1.00 0.00 H new ATOM 1132 N SER A 83 22.910 4.506 -3.453 1.00 0.00 N ATOM 1133 CA SER A 83 23.711 5.224 -4.437 1.00 0.00 C ATOM 1134 C SER A 83 23.204 4.956 -5.851 1.00 0.00 C ATOM 1135 O SER A 83 22.149 4.350 -6.041 1.00 0.00 O ATOM 1136 CB SER A 83 25.182 4.817 -4.324 1.00 0.00 C ATOM 1137 OG SER A 83 25.356 3.446 -4.639 1.00 0.00 O ATOM 0 H SER A 83 22.204 3.889 -3.854 1.00 0.00 H new ATOM 0 HA SER A 83 23.620 6.291 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.784 5.428 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.539 5.009 -3.312 1.00 0.00 H new ATOM 0 HG SER A 83 26.299 3.203 -4.530 1.00 0.00 H new ATOM 1143 N THR A 84 23.964 5.412 -6.842 1.00 0.00 N ATOM 1144 CA THR A 84 23.593 5.223 -8.238 1.00 0.00 C ATOM 1145 C THR A 84 23.964 3.826 -8.722 1.00 0.00 C ATOM 1146 O THR A 84 23.732 3.475 -9.879 1.00 0.00 O ATOM 1147 CB THR A 84 24.273 6.265 -9.146 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.696 6.113 -9.087 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.892 7.677 -8.729 1.00 0.00 C ATOM 0 H THR A 84 24.840 5.915 -6.703 1.00 0.00 H new ATOM 0 HA THR A 84 22.512 5.350 -8.297 1.00 0.00 H new ATOM 0 HB THR A 84 23.932 6.100 -10.168 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.120 6.778 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.384 8.395 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.811 7.799 -8.803 1.00 0.00 H new ATOM 0 HG23 THR A 84 24.207 7.850 -7.700 1.00 0.00 H new ATOM 1157 N THR A 85 24.543 3.029 -7.828 1.00 0.00 N ATOM 1158 CA THR A 85 24.947 1.670 -8.164 1.00 0.00 C ATOM 1159 C THR A 85 24.316 0.659 -7.213 1.00 0.00 C ATOM 1160 O THR A 85 24.892 -0.395 -6.939 1.00 0.00 O ATOM 1161 CB THR A 85 26.478 1.512 -8.120 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.959 1.763 -6.795 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.149 2.466 -9.098 1.00 0.00 C ATOM 0 H THR A 85 24.742 3.302 -6.866 1.00 0.00 H new ATOM 0 HA THR A 85 24.599 1.478 -9.179 1.00 0.00 H new ATOM 0 HB THR A 85 26.724 0.490 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.270 2.234 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.230 2.336 -9.049 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.803 2.253 -10.109 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.895 3.493 -8.837 1.00 0.00 H new ATOM 1171 N THR A 86 23.128 0.984 -6.714 1.00 0.00 N ATOM 1172 CA THR A 86 22.418 0.104 -5.793 1.00 0.00 C ATOM 1173 C THR A 86 21.449 -0.806 -6.540 1.00 0.00 C ATOM 1174 O THR A 86 20.808 -0.388 -7.503 1.00 0.00 O ATOM 1175 CB THR A 86 21.639 0.908 -4.736 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.551 1.594 -3.871 1.00 0.00 O ATOM 1177 CG2 THR A 86 20.743 -0.006 -3.913 1.00 0.00 C ATOM 0 H THR A 86 22.636 1.851 -6.932 1.00 0.00 H new ATOM 0 HA THR A 86 23.171 -0.505 -5.293 1.00 0.00 H new ATOM 0 HB THR A 86 21.013 1.635 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.195 1.598 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.203 0.584 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.030 -0.505 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.353 -0.753 -3.406 1.00 0.00 H new ATOM 1185 N ASN A 87 21.348 -2.052 -6.088 1.00 0.00 N ATOM 1186 CA ASN A 87 20.456 -3.021 -6.714 1.00 0.00 C ATOM 1187 C ASN A 87 19.657 -3.784 -5.662 1.00 0.00 C ATOM 1188 O ASN A 87 20.126 -4.783 -5.114 1.00 0.00 O ATOM 1189 CB ASN A 87 21.257 -4.002 -7.573 1.00 0.00 C ATOM 1190 CG ASN A 87 20.446 -4.552 -8.730 1.00 0.00 C ATOM 1191 OD1 ASN A 87 19.226 -4.392 -8.780 1.00 0.00 O ATOM 1192 ND2 ASN A 87 21.122 -5.206 -9.668 1.00 0.00 N ATOM 0 H ASN A 87 21.872 -2.414 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 87 19.758 -2.477 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 87 22.144 -3.501 -7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.603 -4.827 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 87 20.630 -5.599 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.133 -5.315 -9.586 1.00 0.00 H new ATOM 1199 N CYS A 88 18.448 -3.308 -5.384 1.00 0.00 N ATOM 1200 CA CYS A 88 17.583 -3.944 -4.398 1.00 0.00 C ATOM 1201 C CYS A 88 16.949 -5.210 -4.966 1.00 0.00 C ATOM 1202 O CYS A 88 16.555 -6.107 -4.222 1.00 0.00 O ATOM 1203 CB CYS A 88 16.491 -2.973 -3.945 1.00 0.00 C ATOM 1204 SG CYS A 88 17.123 -1.460 -3.150 1.00 0.00 S ATOM 0 H CYS A 88 18.045 -2.483 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 88 18.195 -4.219 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.889 -2.692 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.829 -3.487 -3.248 1.00 0.00 H new ATOM 1209 N ASN A 89 16.856 -5.275 -6.290 1.00 0.00 N ATOM 1210 CA ASN A 89 16.271 -6.431 -6.959 1.00 0.00 C ATOM 1211 C ASN A 89 17.064 -7.698 -6.652 1.00 0.00 C ATOM 1212 O ASN A 89 16.549 -8.810 -6.767 1.00 0.00 O ATOM 1213 CB ASN A 89 16.221 -6.201 -8.471 1.00 0.00 C ATOM 1214 CG ASN A 89 15.397 -4.984 -8.844 1.00 0.00 C ATOM 1215 OD1 ASN A 89 14.199 -5.088 -9.107 1.00 0.00 O ATOM 1216 ND2 ASN A 89 16.038 -3.821 -8.868 1.00 0.00 N ATOM 0 H ASN A 89 17.178 -4.541 -6.921 1.00 0.00 H new ATOM 0 HA ASN A 89 15.256 -6.560 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.235 -6.080 -8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.802 -7.083 -8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.536 -2.967 -9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.032 -3.782 -8.643 1.00 0.00 H new ATOM 1223 N THR A 90 18.322 -7.520 -6.260 1.00 0.00 N ATOM 1224 CA THR A 90 19.188 -8.647 -5.937 1.00 0.00 C ATOM 1225 C THR A 90 19.174 -8.940 -4.441 1.00 0.00 C ATOM 1226 O THR A 90 20.064 -9.613 -3.921 1.00 0.00 O ATOM 1227 CB THR A 90 20.639 -8.388 -6.384 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.922 -6.985 -6.339 1.00 0.00 O ATOM 1229 CG2 THR A 90 20.873 -8.913 -7.792 1.00 0.00 C ATOM 0 H THR A 90 18.763 -6.606 -6.159 1.00 0.00 H new ATOM 0 HA THR A 90 18.798 -9.509 -6.477 1.00 0.00 H new ATOM 0 HB THR A 90 21.306 -8.915 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.565 -6.606 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 90 21.904 -8.719 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.685 -9.986 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.198 -8.411 -8.485 1.00 0.00 H new ATOM 1237 N VAL A 91 18.158 -8.430 -3.752 1.00 0.00 N ATOM 1238 CA VAL A 91 18.027 -8.639 -2.315 1.00 0.00 C ATOM 1239 C VAL A 91 17.120 -9.826 -2.012 1.00 0.00 C ATOM 1240 O VAL A 91 16.017 -9.932 -2.548 1.00 0.00 O ATOM 1241 CB VAL A 91 17.466 -7.386 -1.615 1.00 0.00 C ATOM 1242 CG1 VAL A 91 17.303 -7.636 -0.123 1.00 0.00 C ATOM 1243 CG2 VAL A 91 18.366 -6.187 -1.868 1.00 0.00 C ATOM 0 H VAL A 91 17.414 -7.869 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 91 19.027 -8.843 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 91 16.483 -7.167 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.906 -6.740 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.615 -8.466 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 91 18.272 -7.881 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.955 -5.311 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.364 -6.392 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.426 -5.997 -2.940 1.00 0.00 H new ATOM 1253 N LYS A 92 17.592 -10.718 -1.148 1.00 0.00 N ATOM 1254 CA LYS A 92 16.823 -11.899 -0.770 1.00 0.00 C ATOM 1255 C LYS A 92 16.093 -11.673 0.549 1.00 0.00 C ATOM 1256 O LYS A 92 16.692 -11.745 1.622 1.00 0.00 O ATOM 1257 CB LYS A 92 17.744 -13.116 -0.654 1.00 0.00 C ATOM 1258 CG LYS A 92 17.944 -13.854 -1.967 1.00 0.00 C ATOM 1259 CD LYS A 92 18.187 -15.337 -1.741 1.00 0.00 C ATOM 1260 CE LYS A 92 18.818 -15.990 -2.961 1.00 0.00 C ATOM 1261 NZ LYS A 92 18.247 -17.340 -3.225 1.00 0.00 N ATOM 0 H LYS A 92 18.504 -10.646 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 92 16.082 -12.084 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.714 -12.792 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.330 -13.806 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.065 -13.720 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.790 -13.423 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.837 -15.473 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.243 -15.831 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.665 -15.354 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.895 -16.074 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.703 -17.752 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.415 -17.955 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.224 -17.258 -3.392 1.00 0.00 H new ATOM 1275 N PHE A 93 14.795 -11.401 0.463 1.00 0.00 N ATOM 1276 CA PHE A 93 13.982 -11.166 1.651 1.00 0.00 C ATOM 1277 C PHE A 93 14.603 -10.084 2.529 1.00 0.00 C ATOM 1278 O PHE A 93 15.087 -10.363 3.625 1.00 0.00 O ATOM 1279 CB PHE A 93 13.825 -12.460 2.451 1.00 0.00 C ATOM 1280 CG PHE A 93 12.627 -13.272 2.049 1.00 0.00 C ATOM 1281 CD1 PHE A 93 11.345 -12.788 2.252 1.00 0.00 C ATOM 1282 CD2 PHE A 93 12.784 -14.520 1.467 1.00 0.00 C ATOM 1283 CE1 PHE A 93 10.241 -13.533 1.882 1.00 0.00 C ATOM 1284 CE2 PHE A 93 11.683 -15.269 1.094 1.00 0.00 C ATOM 1285 CZ PHE A 93 10.410 -14.775 1.303 1.00 0.00 C ATOM 0 H PHE A 93 14.283 -11.338 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 93 12.998 -10.826 1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.723 -13.066 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.749 -12.216 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.206 -11.817 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.777 -14.912 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.247 -13.144 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.818 -16.239 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.549 -15.359 1.014 1.00 0.00 H new TER 1295 PHE A 93