USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= 0.236 K(o=0.68,f=-0.47) USER MOD Set 1.2: A 90 SER OG : rot 87:sc= 0.446 USER MOD Set 2.1: A 40 TYR OH : rot 136:sc= 0.664 USER MOD Set 2.2: A 50 GLN : amide:sc= -5.72! C(o=-5.1!,f=-13!) USER MOD Set 3.1: A 30 SER OG : rot 105:sc= -0.216! USER MOD Set 3.2: A 78 GLN : amide:sc= -4.16! C(o=-4.4!,f=-5.2!) USER MOD Set 4.1: A 21 SER OG : rot -52:sc= -4.08! USER MOD Set 4.2: A 62 ASN : amide:sc= -1.45! C(o=-5.5!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.154 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.4!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.349 USER MOD Single : A 20 SER OG : rot 40:sc= -2.21! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -26:sc= -4.53! USER MOD Single : A 43 SER OG : rot 130:sc= -1.17 USER MOD Single : A 51 TYR OH : rot 173:sc= -0.235 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 77 TYR OH : rot 15:sc= -1.85 USER MOD Single : A 80 SER OG : rot 73:sc= -3.69! USER MOD Single : A 85 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -160:sc= -0.27 USER MOD Single : A 93 GLN :FLIP amide:sc= -3.77! C(o=-5.7!,f=-3.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -157:sc= -0.609 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.329 -12.306 -26.508 1.00 0.00 N ATOM 2 CA GLY A 1 -2.863 -13.165 -25.383 1.00 0.00 C ATOM 3 C GLY A 1 -1.769 -12.437 -24.610 1.00 0.00 C ATOM 4 O GLY A 1 -1.317 -11.368 -25.021 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.348 -12.122 -26.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.812 -11.404 -26.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.154 -12.791 -27.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.696 -13.400 -24.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.484 -14.112 -25.767 1.00 0.00 H new ATOM 10 N PRO A 2 -1.340 -12.995 -23.507 1.00 0.00 N ATOM 11 CA PRO A 2 -0.274 -12.387 -22.660 1.00 0.00 C ATOM 12 C PRO A 2 1.014 -12.178 -23.440 1.00 0.00 C ATOM 13 O PRO A 2 1.322 -12.932 -24.363 1.00 0.00 O ATOM 14 CB PRO A 2 -0.059 -13.386 -21.517 1.00 0.00 C ATOM 15 CG PRO A 2 -0.788 -14.637 -21.894 1.00 0.00 C ATOM 16 CD PRO A 2 -1.827 -14.263 -22.954 1.00 0.00 C ATOM 0 HA PRO A 2 -0.566 -11.400 -22.301 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.003 -13.586 -21.373 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.439 -12.986 -20.577 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.094 -15.382 -22.283 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.272 -15.077 -21.022 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.903 -15.030 -23.725 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.819 -14.151 -22.517 1.00 0.00 H new ATOM 24 N LEU A 3 1.762 -11.149 -23.066 1.00 0.00 N ATOM 25 CA LEU A 3 3.016 -10.854 -23.743 1.00 0.00 C ATOM 26 C LEU A 3 4.101 -11.825 -23.293 1.00 0.00 C ATOM 27 O LEU A 3 4.253 -12.093 -22.100 1.00 0.00 O ATOM 28 CB LEU A 3 3.445 -9.415 -23.443 1.00 0.00 C ATOM 29 CG LEU A 3 2.348 -8.456 -23.914 1.00 0.00 C ATOM 30 CD1 LEU A 3 1.235 -8.359 -22.863 1.00 0.00 C ATOM 31 CD2 LEU A 3 2.951 -7.069 -24.146 1.00 0.00 C ATOM 0 H LEU A 3 1.526 -10.511 -22.306 1.00 0.00 H new ATOM 0 HA LEU A 3 2.870 -10.966 -24.817 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.620 -9.290 -22.374 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.384 -9.189 -23.949 1.00 0.00 H new ATOM 0 HG LEU A 3 1.923 -8.835 -24.843 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.463 -7.674 -23.213 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.799 -9.345 -22.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.651 -7.989 -21.926 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.172 -6.385 -24.481 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.382 -6.700 -23.216 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.729 -7.133 -24.906 1.00 0.00 H new ATOM 43 N GLY A 4 4.848 -12.352 -24.257 1.00 0.00 N ATOM 44 CA GLY A 4 5.917 -13.299 -23.959 1.00 0.00 C ATOM 45 C GLY A 4 6.425 -13.956 -25.238 1.00 0.00 C ATOM 46 O GLY A 4 6.324 -15.172 -25.406 1.00 0.00 O ATOM 0 H GLY A 4 4.734 -12.141 -25.248 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.737 -12.784 -23.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.553 -14.062 -23.272 1.00 0.00 H new ATOM 50 N SER A 5 6.969 -13.146 -26.142 1.00 0.00 N ATOM 51 CA SER A 5 7.483 -13.664 -27.406 1.00 0.00 C ATOM 52 C SER A 5 8.870 -14.264 -27.217 1.00 0.00 C ATOM 53 O SER A 5 9.439 -14.842 -28.143 1.00 0.00 O ATOM 54 CB SER A 5 7.557 -12.541 -28.437 1.00 0.00 C ATOM 55 OG SER A 5 8.515 -11.582 -28.013 1.00 0.00 O ATOM 0 H SER A 5 7.065 -12.137 -26.025 1.00 0.00 H new ATOM 0 HA SER A 5 6.805 -14.442 -27.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.834 -12.943 -29.412 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.580 -12.071 -28.552 1.00 0.00 H new ATOM 0 HG SER A 5 8.568 -10.859 -28.672 1.00 0.00 H new ATOM 61 N HIS A 6 9.405 -14.120 -26.013 1.00 0.00 N ATOM 62 CA HIS A 6 10.726 -14.651 -25.702 1.00 0.00 C ATOM 63 C HIS A 6 10.641 -15.569 -24.485 1.00 0.00 C ATOM 64 O HIS A 6 9.548 -15.940 -24.059 1.00 0.00 O ATOM 65 CB HIS A 6 11.690 -13.499 -25.423 1.00 0.00 C ATOM 66 CG HIS A 6 11.273 -12.830 -24.150 1.00 0.00 C ATOM 67 ND1 HIS A 6 11.918 -13.069 -22.949 1.00 0.00 N ATOM 68 CD2 HIS A 6 10.251 -11.961 -23.866 1.00 0.00 C ATOM 69 CE1 HIS A 6 11.279 -12.360 -22.000 1.00 0.00 C ATOM 70 NE2 HIS A 6 10.255 -11.665 -22.507 1.00 0.00 N ATOM 0 H HIS A 6 8.947 -13.642 -25.237 1.00 0.00 H new ATOM 0 HA HIS A 6 11.094 -15.225 -26.553 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.711 -13.871 -25.339 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.678 -12.786 -26.248 1.00 0.00 H new ATOM 0 HD2 HIS A 6 9.550 -11.567 -24.587 1.00 0.00 H new ATOM 0 HE1 HIS A 6 11.559 -12.353 -20.957 1.00 0.00 H new ATOM 0 HE2 HIS A 6 9.615 -11.050 -22.005 1.00 0.00 H new ATOM 79 N LEU A 7 11.789 -15.945 -23.928 1.00 0.00 N ATOM 80 CA LEU A 7 11.792 -16.831 -22.766 1.00 0.00 C ATOM 81 C LEU A 7 11.170 -16.132 -21.557 1.00 0.00 C ATOM 82 O LEU A 7 11.601 -15.049 -21.159 1.00 0.00 O ATOM 83 CB LEU A 7 13.227 -17.275 -22.449 1.00 0.00 C ATOM 84 CG LEU A 7 13.823 -17.981 -23.671 1.00 0.00 C ATOM 85 CD1 LEU A 7 15.176 -18.588 -23.306 1.00 0.00 C ATOM 86 CD2 LEU A 7 12.882 -19.095 -24.134 1.00 0.00 C ATOM 0 H LEU A 7 12.712 -15.658 -24.253 1.00 0.00 H new ATOM 0 HA LEU A 7 11.193 -17.712 -22.996 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.836 -16.411 -22.181 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.230 -17.946 -21.590 1.00 0.00 H new ATOM 0 HG LEU A 7 13.952 -17.254 -24.473 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.597 -19.089 -24.178 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.853 -17.798 -22.979 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.045 -19.310 -22.500 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.310 -19.595 -25.003 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.750 -19.818 -23.329 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.915 -18.667 -24.400 1.00 0.00 H new ATOM 98 N VAL A 8 10.135 -16.758 -20.992 1.00 0.00 N ATOM 99 CA VAL A 8 9.431 -16.191 -19.843 1.00 0.00 C ATOM 100 C VAL A 8 9.313 -17.202 -18.705 1.00 0.00 C ATOM 101 O VAL A 8 9.166 -18.402 -18.940 1.00 0.00 O ATOM 102 CB VAL A 8 8.024 -15.765 -20.262 1.00 0.00 C ATOM 103 CG1 VAL A 8 7.159 -17.009 -20.488 1.00 0.00 C ATOM 104 CG2 VAL A 8 7.405 -14.906 -19.157 1.00 0.00 C ATOM 0 H VAL A 8 9.768 -17.655 -21.311 1.00 0.00 H new ATOM 0 HA VAL A 8 10.005 -15.333 -19.493 1.00 0.00 H new ATOM 0 HB VAL A 8 8.077 -15.189 -21.186 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.156 -16.705 -20.787 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.601 -17.622 -21.273 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.104 -17.586 -19.565 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.401 -14.600 -19.453 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.351 -15.484 -18.234 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.021 -14.021 -18.996 1.00 0.00 H new ATOM 114 N ALA A 9 9.360 -16.701 -17.469 1.00 0.00 N ATOM 115 CA ALA A 9 9.238 -17.558 -16.289 1.00 0.00 C ATOM 116 C ALA A 9 7.776 -17.666 -15.863 1.00 0.00 C ATOM 117 O ALA A 9 6.936 -18.173 -16.607 1.00 0.00 O ATOM 118 CB ALA A 9 10.050 -16.978 -15.129 1.00 0.00 C ATOM 0 H ALA A 9 9.481 -15.710 -17.260 1.00 0.00 H new ATOM 0 HA ALA A 9 9.618 -18.547 -16.544 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.951 -17.624 -14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.100 -16.913 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.678 -15.982 -14.887 1.00 0.00 H new ATOM 124 N THR A 10 7.483 -17.179 -14.658 1.00 0.00 N ATOM 125 CA THR A 10 6.124 -17.212 -14.130 1.00 0.00 C ATOM 126 C THR A 10 5.511 -15.811 -14.191 1.00 0.00 C ATOM 127 O THR A 10 4.334 -15.620 -13.886 1.00 0.00 O ATOM 128 CB THR A 10 6.147 -17.710 -12.682 1.00 0.00 C ATOM 129 OG1 THR A 10 7.337 -18.454 -12.464 1.00 0.00 O ATOM 130 CG2 THR A 10 4.934 -18.604 -12.420 1.00 0.00 C ATOM 0 H THR A 10 8.169 -16.758 -14.031 1.00 0.00 H new ATOM 0 HA THR A 10 5.519 -17.890 -14.732 1.00 0.00 H new ATOM 0 HB THR A 10 6.115 -16.856 -12.005 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.358 -18.774 -11.538 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.957 -18.955 -11.388 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.020 -18.036 -12.590 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.960 -19.460 -13.095 1.00 0.00 H new ATOM 138 N SER A 11 6.327 -14.841 -14.596 1.00 0.00 N ATOM 139 CA SER A 11 5.888 -13.449 -14.713 1.00 0.00 C ATOM 140 C SER A 11 4.851 -13.074 -13.655 1.00 0.00 C ATOM 141 O SER A 11 3.653 -13.029 -13.937 1.00 0.00 O ATOM 142 CB SER A 11 5.294 -13.203 -16.097 1.00 0.00 C ATOM 143 OG SER A 11 4.824 -11.865 -16.163 1.00 0.00 O ATOM 0 H SER A 11 7.303 -14.993 -14.851 1.00 0.00 H new ATOM 0 HA SER A 11 6.768 -12.825 -14.559 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.046 -13.377 -16.867 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.477 -13.900 -16.286 1.00 0.00 H new ATOM 0 HG SER A 11 4.442 -11.696 -17.049 1.00 0.00 H new ATOM 149 N GLU A 12 5.324 -12.768 -12.452 1.00 0.00 N ATOM 150 CA GLU A 12 4.439 -12.356 -11.369 1.00 0.00 C ATOM 151 C GLU A 12 3.822 -11.000 -11.686 1.00 0.00 C ATOM 152 O GLU A 12 4.473 -10.143 -12.285 1.00 0.00 O ATOM 153 CB GLU A 12 5.232 -12.263 -10.067 1.00 0.00 C ATOM 154 CG GLU A 12 5.721 -13.656 -9.685 1.00 0.00 C ATOM 155 CD GLU A 12 6.879 -13.546 -8.703 1.00 0.00 C ATOM 156 OE1 GLU A 12 6.985 -12.517 -8.055 1.00 0.00 O ATOM 157 OE2 GLU A 12 7.645 -14.490 -8.616 1.00 0.00 O ATOM 0 H GLU A 12 6.313 -12.797 -12.203 1.00 0.00 H new ATOM 0 HA GLU A 12 3.644 -13.093 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.078 -11.587 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.607 -11.852 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.907 -14.227 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.039 -14.197 -10.576 1.00 0.00 H new ATOM 164 N SER A 13 2.571 -10.800 -11.282 1.00 0.00 N ATOM 165 CA SER A 13 1.903 -9.529 -11.535 1.00 0.00 C ATOM 166 C SER A 13 2.372 -8.493 -10.522 1.00 0.00 C ATOM 167 O SER A 13 2.051 -7.311 -10.631 1.00 0.00 O ATOM 168 CB SER A 13 0.388 -9.696 -11.424 1.00 0.00 C ATOM 169 OG SER A 13 0.027 -9.768 -10.052 1.00 0.00 O ATOM 0 H SER A 13 2.007 -11.490 -10.786 1.00 0.00 H new ATOM 0 HA SER A 13 2.152 -9.196 -12.543 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.119 -8.858 -11.903 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.070 -10.600 -11.944 1.00 0.00 H new ATOM 0 HG SER A 13 -0.944 -9.873 -9.974 1.00 0.00 H new ATOM 175 N VAL A 14 3.134 -8.953 -9.532 1.00 0.00 N ATOM 176 CA VAL A 14 3.649 -8.067 -8.494 1.00 0.00 C ATOM 177 C VAL A 14 5.157 -7.866 -8.639 1.00 0.00 C ATOM 178 O VAL A 14 5.907 -8.830 -8.788 1.00 0.00 O ATOM 179 CB VAL A 14 3.352 -8.662 -7.117 1.00 0.00 C ATOM 180 CG1 VAL A 14 3.835 -7.702 -6.030 1.00 0.00 C ATOM 181 CG2 VAL A 14 1.847 -8.884 -6.976 1.00 0.00 C ATOM 0 H VAL A 14 3.407 -9.930 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 14 3.158 -7.100 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 14 3.871 -9.615 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.623 -8.127 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.909 -7.546 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.318 -6.748 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.632 -9.308 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.327 -7.932 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.506 -9.571 -7.751 1.00 0.00 H new ATOM 191 N THR A 15 5.595 -6.609 -8.575 1.00 0.00 N ATOM 192 CA THR A 15 7.023 -6.300 -8.683 1.00 0.00 C ATOM 193 C THR A 15 7.603 -5.951 -7.317 1.00 0.00 C ATOM 194 O THR A 15 7.599 -6.777 -6.406 1.00 0.00 O ATOM 195 CB THR A 15 7.259 -5.137 -9.654 1.00 0.00 C ATOM 196 OG1 THR A 15 6.820 -5.513 -10.952 1.00 0.00 O ATOM 197 CG2 THR A 15 8.755 -4.800 -9.703 1.00 0.00 C ATOM 0 H THR A 15 4.991 -5.796 -8.451 1.00 0.00 H new ATOM 0 HA THR A 15 7.526 -7.187 -9.067 1.00 0.00 H new ATOM 0 HB THR A 15 6.702 -4.264 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.968 -4.771 -11.575 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.919 -3.973 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.096 -4.515 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.314 -5.672 -10.042 1.00 0.00 H new ATOM 205 N GLU A 16 8.113 -4.722 -7.199 1.00 0.00 N ATOM 206 CA GLU A 16 8.726 -4.247 -5.960 1.00 0.00 C ATOM 207 C GLU A 16 8.666 -5.299 -4.863 1.00 0.00 C ATOM 208 O GLU A 16 7.844 -5.216 -3.954 1.00 0.00 O ATOM 209 CB GLU A 16 8.032 -2.967 -5.492 1.00 0.00 C ATOM 210 CG GLU A 16 8.464 -1.796 -6.379 1.00 0.00 C ATOM 211 CD GLU A 16 9.979 -1.624 -6.327 1.00 0.00 C ATOM 212 OE1 GLU A 16 10.563 -1.999 -5.324 1.00 0.00 O ATOM 213 OE2 GLU A 16 10.533 -1.121 -7.290 1.00 0.00 O ATOM 0 H GLU A 16 8.112 -4.035 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 16 9.776 -4.040 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.950 -3.091 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.287 -2.762 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.146 -1.973 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.975 -0.880 -6.047 1.00 0.00 H new ATOM 220 N ILE A 17 9.548 -6.288 -4.958 1.00 0.00 N ATOM 221 CA ILE A 17 9.590 -7.353 -3.966 1.00 0.00 C ATOM 222 C ILE A 17 10.516 -6.977 -2.814 1.00 0.00 C ATOM 223 O ILE A 17 10.058 -6.598 -1.742 1.00 0.00 O ATOM 224 CB ILE A 17 10.102 -8.652 -4.597 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.248 -9.015 -5.811 1.00 0.00 C ATOM 226 CG2 ILE A 17 10.030 -9.785 -3.570 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.815 -10.271 -6.476 1.00 0.00 C ATOM 0 H ILE A 17 10.237 -6.373 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 17 8.577 -7.498 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 17 11.135 -8.509 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.216 -9.187 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.236 -8.188 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.395 -10.708 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.647 -9.534 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.997 -9.921 -3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.206 -10.531 -7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.840 -10.082 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.804 -11.096 -5.764 1.00 0.00 H new ATOM 239 N THR A 18 11.825 -7.103 -3.039 1.00 0.00 N ATOM 240 CA THR A 18 12.806 -6.797 -2.000 1.00 0.00 C ATOM 241 C THR A 18 12.235 -7.164 -0.636 1.00 0.00 C ATOM 242 O THR A 18 12.253 -8.329 -0.242 1.00 0.00 O ATOM 243 CB THR A 18 13.184 -5.313 -2.025 1.00 0.00 C ATOM 244 OG1 THR A 18 12.011 -4.521 -1.927 1.00 0.00 O ATOM 245 CG2 THR A 18 13.907 -4.993 -3.330 1.00 0.00 C ATOM 0 H THR A 18 12.227 -7.412 -3.924 1.00 0.00 H new ATOM 0 HA THR A 18 13.706 -7.381 -2.189 1.00 0.00 H new ATOM 0 HB THR A 18 13.840 -5.093 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.255 -3.572 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.176 -3.937 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.810 -5.599 -3.403 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.252 -5.215 -4.173 1.00 0.00 H new ATOM 253 N ALA A 19 11.700 -6.172 0.066 1.00 0.00 N ATOM 254 CA ALA A 19 11.094 -6.421 1.369 1.00 0.00 C ATOM 255 C ALA A 19 9.724 -7.045 1.151 1.00 0.00 C ATOM 256 O ALA A 19 8.794 -6.835 1.930 1.00 0.00 O ATOM 257 CB ALA A 19 10.954 -5.116 2.151 1.00 0.00 C ATOM 0 H ALA A 19 11.673 -5.199 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 19 11.727 -7.096 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.500 -5.320 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.939 -4.672 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.323 -4.424 1.594 1.00 0.00 H new ATOM 263 N SER A 20 9.616 -7.794 0.054 1.00 0.00 N ATOM 264 CA SER A 20 8.367 -8.439 -0.321 1.00 0.00 C ATOM 265 C SER A 20 7.267 -7.400 -0.461 1.00 0.00 C ATOM 266 O SER A 20 6.120 -7.636 -0.080 1.00 0.00 O ATOM 267 CB SER A 20 7.960 -9.468 0.723 1.00 0.00 C ATOM 268 OG SER A 20 8.314 -8.987 2.012 1.00 0.00 O ATOM 0 H SER A 20 10.386 -7.967 -0.592 1.00 0.00 H new ATOM 0 HA SER A 20 8.516 -8.944 -1.275 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.887 -9.652 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.456 -10.419 0.527 1.00 0.00 H new ATOM 0 HG SER A 20 8.124 -8.027 2.067 1.00 0.00 H new ATOM 274 N SER A 21 7.630 -6.244 -1.000 1.00 0.00 N ATOM 275 CA SER A 21 6.671 -5.166 -1.173 1.00 0.00 C ATOM 276 C SER A 21 5.622 -5.532 -2.212 1.00 0.00 C ATOM 277 O SER A 21 5.937 -6.057 -3.278 1.00 0.00 O ATOM 278 CB SER A 21 7.386 -3.883 -1.599 1.00 0.00 C ATOM 279 OG SER A 21 6.949 -3.507 -2.897 1.00 0.00 O ATOM 0 H SER A 21 8.574 -6.031 -1.322 1.00 0.00 H new ATOM 0 HA SER A 21 6.174 -5.003 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.177 -3.084 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.465 -4.037 -1.597 1.00 0.00 H new ATOM 0 HG SER A 21 7.043 -4.268 -3.507 1.00 0.00 H new ATOM 285 N PHE A 22 4.371 -5.237 -1.892 1.00 0.00 N ATOM 286 CA PHE A 22 3.284 -5.524 -2.810 1.00 0.00 C ATOM 287 C PHE A 22 2.943 -4.292 -3.625 1.00 0.00 C ATOM 288 O PHE A 22 3.010 -3.170 -3.128 1.00 0.00 O ATOM 289 CB PHE A 22 1.994 -5.906 -2.075 1.00 0.00 C ATOM 290 CG PHE A 22 2.121 -7.172 -1.268 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.789 -8.298 -1.765 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.527 -7.210 -0.005 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.857 -9.462 -0.992 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.596 -8.367 0.769 1.00 0.00 C ATOM 295 CZ PHE A 22 2.263 -9.494 0.278 1.00 0.00 C ATOM 0 H PHE A 22 4.087 -4.804 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 22 3.628 -6.350 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.705 -5.089 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.191 -6.026 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.250 -8.268 -2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.012 -6.339 0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.366 -10.335 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.136 -8.393 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.321 -10.390 0.878 1.00 0.00 H new ATOM 305 N VAL A 23 2.509 -4.512 -4.850 1.00 0.00 N ATOM 306 CA VAL A 23 2.075 -3.413 -5.683 1.00 0.00 C ATOM 307 C VAL A 23 0.625 -3.667 -6.057 1.00 0.00 C ATOM 308 O VAL A 23 0.329 -4.485 -6.927 1.00 0.00 O ATOM 309 CB VAL A 23 2.938 -3.304 -6.938 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.222 -2.419 -7.956 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.283 -2.671 -6.578 1.00 0.00 C ATOM 0 H VAL A 23 2.448 -5.432 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 23 2.173 -2.472 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 23 3.104 -4.296 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.830 -2.335 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.259 -2.862 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.065 -1.428 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.900 -2.593 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.118 -1.677 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.791 -3.292 -5.840 1.00 0.00 H new ATOM 321 N VAL A 24 -0.278 -2.981 -5.372 1.00 0.00 N ATOM 322 CA VAL A 24 -1.700 -3.159 -5.617 1.00 0.00 C ATOM 323 C VAL A 24 -2.294 -1.915 -6.249 1.00 0.00 C ATOM 324 O VAL A 24 -1.989 -0.791 -5.851 1.00 0.00 O ATOM 325 CB VAL A 24 -2.432 -3.474 -4.308 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.939 -3.549 -4.573 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.947 -4.822 -3.765 1.00 0.00 C ATOM 0 H VAL A 24 -0.053 -2.300 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.823 -3.996 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.227 -2.690 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.461 -3.773 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.288 -2.593 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.142 -4.334 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.467 -5.047 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.155 -5.604 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.874 -4.775 -3.579 1.00 0.00 H new ATOM 337 N SER A 25 -3.145 -2.134 -7.238 1.00 0.00 N ATOM 338 CA SER A 25 -3.790 -1.040 -7.933 1.00 0.00 C ATOM 339 C SER A 25 -5.289 -1.252 -7.961 1.00 0.00 C ATOM 340 O SER A 25 -5.769 -2.379 -7.839 1.00 0.00 O ATOM 341 CB SER A 25 -3.245 -0.935 -9.358 1.00 0.00 C ATOM 342 OG SER A 25 -3.607 -2.102 -10.089 1.00 0.00 O ATOM 0 H SER A 25 -3.403 -3.061 -7.575 1.00 0.00 H new ATOM 0 HA SER A 25 -3.579 -0.110 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.645 -0.047 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.161 -0.827 -9.338 1.00 0.00 H new ATOM 0 HG SER A 25 -3.260 -2.036 -11.003 1.00 0.00 H new ATOM 348 N TRP A 26 -6.029 -0.163 -8.099 1.00 0.00 N ATOM 349 CA TRP A 26 -7.479 -0.256 -8.121 1.00 0.00 C ATOM 350 C TRP A 26 -8.082 0.805 -9.035 1.00 0.00 C ATOM 351 O TRP A 26 -7.381 1.417 -9.841 1.00 0.00 O ATOM 352 CB TRP A 26 -8.014 -0.074 -6.702 1.00 0.00 C ATOM 353 CG TRP A 26 -7.425 1.170 -6.119 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.910 2.414 -6.304 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.251 1.309 -5.271 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.114 3.312 -5.618 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.076 2.679 -4.964 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.333 0.390 -4.745 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.026 3.120 -4.159 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.275 0.828 -3.935 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.122 2.192 -3.643 1.00 0.00 C ATOM 0 H TRP A 26 -5.656 0.782 -8.196 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.760 -1.236 -8.505 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.102 -0.006 -6.715 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.756 -0.937 -6.088 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.779 2.668 -6.893 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.274 4.319 -5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.441 -0.662 -4.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.914 4.171 -3.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.574 0.111 -3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.305 2.523 -3.019 1.00 0.00 H new ATOM 372 N VAL A 27 -9.385 1.021 -8.900 1.00 0.00 N ATOM 373 CA VAL A 27 -10.070 2.009 -9.717 1.00 0.00 C ATOM 374 C VAL A 27 -10.642 3.116 -8.847 1.00 0.00 C ATOM 375 O VAL A 27 -11.345 2.853 -7.873 1.00 0.00 O ATOM 376 CB VAL A 27 -11.209 1.350 -10.499 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.945 2.408 -11.329 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.639 0.281 -11.434 1.00 0.00 C ATOM 0 H VAL A 27 -9.983 0.528 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.346 2.435 -10.412 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.905 0.889 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.755 1.936 -11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.355 3.170 -10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.248 2.872 -12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.452 -0.187 -11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.941 0.743 -12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.118 -0.475 -10.847 1.00 0.00 H new ATOM 388 N SER A 28 -10.352 4.352 -9.221 1.00 0.00 N ATOM 389 CA SER A 28 -10.861 5.494 -8.484 1.00 0.00 C ATOM 390 C SER A 28 -12.368 5.602 -8.698 1.00 0.00 C ATOM 391 O SER A 28 -12.826 6.254 -9.637 1.00 0.00 O ATOM 392 CB SER A 28 -10.179 6.774 -8.960 1.00 0.00 C ATOM 393 OG SER A 28 -9.841 6.643 -10.334 1.00 0.00 O ATOM 0 H SER A 28 -9.771 4.588 -10.025 1.00 0.00 H new ATOM 0 HA SER A 28 -10.651 5.359 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.841 7.628 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.283 6.963 -8.370 1.00 0.00 H new ATOM 0 HG SER A 28 -9.404 7.464 -10.643 1.00 0.00 H new ATOM 399 N ALA A 29 -13.132 4.943 -7.832 1.00 0.00 N ATOM 400 CA ALA A 29 -14.587 4.953 -7.944 1.00 0.00 C ATOM 401 C ALA A 29 -15.188 6.113 -7.158 1.00 0.00 C ATOM 402 O ALA A 29 -15.267 6.057 -5.933 1.00 0.00 O ATOM 403 CB ALA A 29 -15.144 3.636 -7.410 1.00 0.00 C ATOM 0 H ALA A 29 -12.771 4.398 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.852 5.074 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.231 3.641 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.740 2.807 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.860 3.518 -6.364 1.00 0.00 H new ATOM 409 N SER A 30 -15.614 7.152 -7.877 1.00 0.00 N ATOM 410 CA SER A 30 -16.215 8.338 -7.262 1.00 0.00 C ATOM 411 C SER A 30 -15.228 9.496 -7.271 1.00 0.00 C ATOM 412 O SER A 30 -14.364 9.596 -6.403 1.00 0.00 O ATOM 413 CB SER A 30 -16.650 8.059 -5.825 1.00 0.00 C ATOM 414 OG SER A 30 -17.339 6.818 -5.776 1.00 0.00 O ATOM 0 H SER A 30 -15.553 7.197 -8.894 1.00 0.00 H new ATOM 0 HA SER A 30 -17.096 8.601 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.780 8.031 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 30 -17.295 8.861 -5.466 1.00 0.00 H new ATOM 0 HG SER A 30 -16.760 6.138 -5.373 1.00 0.00 H new ATOM 420 N ASP A 31 -15.366 10.364 -8.262 1.00 0.00 N ATOM 421 CA ASP A 31 -14.485 11.518 -8.398 1.00 0.00 C ATOM 422 C ASP A 31 -14.549 12.412 -7.160 1.00 0.00 C ATOM 423 O ASP A 31 -13.683 13.262 -6.955 1.00 0.00 O ATOM 424 CB ASP A 31 -14.882 12.322 -9.639 1.00 0.00 C ATOM 425 CG ASP A 31 -13.861 13.423 -9.906 1.00 0.00 C ATOM 426 OD1 ASP A 31 -12.719 13.251 -9.519 1.00 0.00 O ATOM 427 OD2 ASP A 31 -14.238 14.423 -10.497 1.00 0.00 O ATOM 0 H ASP A 31 -16.081 10.292 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.462 11.158 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.948 11.661 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.870 12.760 -9.496 1.00 0.00 H new ATOM 432 N THR A 32 -15.581 12.220 -6.343 1.00 0.00 N ATOM 433 CA THR A 32 -15.755 13.019 -5.136 1.00 0.00 C ATOM 434 C THR A 32 -14.714 12.654 -4.082 1.00 0.00 C ATOM 435 O THR A 32 -14.725 13.189 -2.973 1.00 0.00 O ATOM 436 CB THR A 32 -17.151 12.779 -4.566 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.226 11.455 -4.054 1.00 0.00 O ATOM 438 CG2 THR A 32 -18.195 12.960 -5.671 1.00 0.00 C ATOM 0 H THR A 32 -16.307 11.520 -6.495 1.00 0.00 H new ATOM 0 HA THR A 32 -15.630 14.069 -5.399 1.00 0.00 H new ATOM 0 HB THR A 32 -17.346 13.493 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.120 11.297 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.191 12.788 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.135 13.974 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.004 12.247 -6.473 1.00 0.00 H new ATOM 446 N VAL A 33 -13.819 11.737 -4.435 1.00 0.00 N ATOM 447 CA VAL A 33 -12.780 11.303 -3.519 1.00 0.00 C ATOM 448 C VAL A 33 -11.738 12.399 -3.342 1.00 0.00 C ATOM 449 O VAL A 33 -11.268 12.988 -4.315 1.00 0.00 O ATOM 450 CB VAL A 33 -12.122 10.036 -4.078 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.736 10.270 -5.542 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.871 9.680 -3.265 1.00 0.00 C ATOM 0 H VAL A 33 -13.795 11.283 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.220 11.090 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.829 9.209 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.268 9.371 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.630 10.503 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.036 11.103 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.415 8.778 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.158 10.502 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.150 9.506 -2.226 1.00 0.00 H new ATOM 462 N SER A 34 -11.379 12.661 -2.091 1.00 0.00 N ATOM 463 CA SER A 34 -10.386 13.684 -1.793 1.00 0.00 C ATOM 464 C SER A 34 -9.010 13.046 -1.687 1.00 0.00 C ATOM 465 O SER A 34 -7.987 13.730 -1.718 1.00 0.00 O ATOM 466 CB SER A 34 -10.730 14.380 -0.475 1.00 0.00 C ATOM 467 OG SER A 34 -12.120 14.683 -0.446 1.00 0.00 O ATOM 0 H SER A 34 -11.757 12.183 -1.273 1.00 0.00 H new ATOM 0 HA SER A 34 -10.384 14.421 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.470 13.738 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.146 15.294 -0.371 1.00 0.00 H new ATOM 0 HG SER A 34 -12.455 14.769 -1.363 1.00 0.00 H new ATOM 473 N GLY A 35 -9.001 11.725 -1.558 1.00 0.00 N ATOM 474 CA GLY A 35 -7.761 10.973 -1.445 1.00 0.00 C ATOM 475 C GLY A 35 -8.070 9.505 -1.202 1.00 0.00 C ATOM 476 O GLY A 35 -9.228 9.113 -1.145 1.00 0.00 O ATOM 0 H GLY A 35 -9.844 11.151 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.173 11.084 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.159 11.368 -0.627 1.00 0.00 H new ATOM 480 N PHE A 36 -7.032 8.699 -1.043 1.00 0.00 N ATOM 481 CA PHE A 36 -7.223 7.277 -0.781 1.00 0.00 C ATOM 482 C PHE A 36 -6.461 6.862 0.465 1.00 0.00 C ATOM 483 O PHE A 36 -5.463 7.477 0.829 1.00 0.00 O ATOM 484 CB PHE A 36 -6.748 6.427 -1.963 1.00 0.00 C ATOM 485 CG PHE A 36 -7.684 6.594 -3.133 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.803 5.761 -3.270 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.433 7.587 -4.082 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.666 5.923 -4.361 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.292 7.751 -5.172 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.412 6.919 -5.313 1.00 0.00 C ATOM 0 H PHE A 36 -6.058 8.998 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.290 7.111 -0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.739 6.722 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.703 5.378 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.000 4.995 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.572 8.230 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.527 5.280 -4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.093 8.518 -5.906 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.078 7.046 -6.154 1.00 0.00 H new ATOM 500 N ARG A 37 -6.936 5.814 1.115 1.00 0.00 N ATOM 501 CA ARG A 37 -6.281 5.323 2.313 1.00 0.00 C ATOM 502 C ARG A 37 -6.109 3.815 2.233 1.00 0.00 C ATOM 503 O ARG A 37 -7.079 3.073 2.081 1.00 0.00 O ATOM 504 CB ARG A 37 -7.092 5.677 3.561 1.00 0.00 C ATOM 505 CG ARG A 37 -6.212 5.469 4.797 1.00 0.00 C ATOM 506 CD ARG A 37 -7.031 5.699 6.066 1.00 0.00 C ATOM 507 NE ARG A 37 -7.722 4.473 6.439 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.046 4.222 7.702 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.764 5.093 8.633 1.00 0.00 N ATOM 510 NH2 ARG A 37 -8.650 3.106 8.007 1.00 0.00 N ATOM 0 H ARG A 37 -7.766 5.291 0.836 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.303 5.799 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.432 6.711 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.983 5.052 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.803 4.459 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.366 6.156 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.378 6.020 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.753 6.499 5.903 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.962 3.794 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.295 5.966 8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.013 4.901 9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.872 2.430 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.900 2.910 8.976 1.00 0.00 H new ATOM 524 N VAL A 38 -4.870 3.371 2.350 1.00 0.00 N ATOM 525 CA VAL A 38 -4.582 1.948 2.301 1.00 0.00 C ATOM 526 C VAL A 38 -4.215 1.431 3.683 1.00 0.00 C ATOM 527 O VAL A 38 -3.407 2.034 4.390 1.00 0.00 O ATOM 528 CB VAL A 38 -3.438 1.679 1.326 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.020 0.209 1.415 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.902 1.991 -0.100 1.00 0.00 C ATOM 0 H VAL A 38 -4.054 3.969 2.478 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.475 1.426 1.958 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.588 2.312 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.203 0.020 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.690 -0.015 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.868 -0.427 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.087 1.800 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.752 1.358 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.198 3.038 -0.166 1.00 0.00 H new ATOM 540 N GLU A 39 -4.826 0.318 4.064 1.00 0.00 N ATOM 541 CA GLU A 39 -4.570 -0.274 5.365 1.00 0.00 C ATOM 542 C GLU A 39 -4.190 -1.737 5.211 1.00 0.00 C ATOM 543 O GLU A 39 -4.873 -2.492 4.519 1.00 0.00 O ATOM 544 CB GLU A 39 -5.826 -0.177 6.225 1.00 0.00 C ATOM 545 CG GLU A 39 -5.516 -0.612 7.659 1.00 0.00 C ATOM 546 CD GLU A 39 -6.821 -0.752 8.435 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.832 -0.281 7.940 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.788 -1.311 9.518 1.00 0.00 O ATOM 0 H GLU A 39 -5.500 -0.190 3.491 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.749 0.264 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.201 0.846 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.612 -0.807 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.978 -1.560 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.869 0.120 8.142 1.00 0.00 H new ATOM 555 N TYR A 40 -3.110 -2.141 5.863 1.00 0.00 N ATOM 556 CA TYR A 40 -2.681 -3.525 5.784 1.00 0.00 C ATOM 557 C TYR A 40 -2.095 -3.998 7.108 1.00 0.00 C ATOM 558 O TYR A 40 -1.329 -3.287 7.758 1.00 0.00 O ATOM 559 CB TYR A 40 -1.660 -3.689 4.660 1.00 0.00 C ATOM 560 CG TYR A 40 -0.469 -2.811 4.937 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.568 -1.427 4.751 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.731 -3.375 5.382 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.535 -0.608 5.007 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.834 -2.554 5.637 1.00 0.00 C ATOM 565 CZ TYR A 40 1.734 -1.171 5.450 1.00 0.00 C ATOM 566 OH TYR A 40 2.819 -0.359 5.702 1.00 0.00 O ATOM 0 H TYR A 40 -2.524 -1.540 6.443 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.553 -4.142 5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.349 -4.731 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.109 -3.421 3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.496 -0.993 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.806 -4.442 5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.460 0.460 4.862 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.763 -2.987 5.978 1.00 0.00 H new ATOM 0 HH TYR A 40 3.244 -0.632 6.542 1.00 0.00 H new ATOM 576 N GLU A 41 -2.463 -5.214 7.486 1.00 0.00 N ATOM 577 CA GLU A 41 -1.986 -5.809 8.723 1.00 0.00 C ATOM 578 C GLU A 41 -1.787 -7.303 8.514 1.00 0.00 C ATOM 579 O GLU A 41 -2.230 -7.856 7.506 1.00 0.00 O ATOM 580 CB GLU A 41 -2.994 -5.571 9.846 1.00 0.00 C ATOM 581 CG GLU A 41 -4.186 -6.509 9.679 1.00 0.00 C ATOM 582 CD GLU A 41 -5.261 -6.159 10.701 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.122 -5.134 11.351 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.206 -6.920 10.826 1.00 0.00 O ATOM 0 H GLU A 41 -3.094 -5.809 6.949 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.039 -5.349 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.521 -5.739 10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.331 -4.534 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.589 -6.425 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.868 -7.543 9.810 1.00 0.00 H new ATOM 591 N LEU A 42 -1.127 -7.959 9.455 1.00 0.00 N ATOM 592 CA LEU A 42 -0.899 -9.391 9.325 1.00 0.00 C ATOM 593 C LEU A 42 -2.178 -10.167 9.607 1.00 0.00 C ATOM 594 O LEU A 42 -2.805 -9.995 10.649 1.00 0.00 O ATOM 595 CB LEU A 42 0.207 -9.846 10.278 1.00 0.00 C ATOM 596 CG LEU A 42 1.554 -9.336 9.772 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.612 -9.535 10.858 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.958 -10.127 8.524 1.00 0.00 C ATOM 0 H LEU A 42 -0.746 -7.535 10.301 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.587 -9.592 8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.016 -9.467 11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.220 -10.934 10.345 1.00 0.00 H new ATOM 0 HG LEU A 42 1.475 -8.277 9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.575 -9.172 10.499 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.325 -8.980 11.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.691 -10.595 11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.920 -9.766 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.039 -11.185 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.203 -9.994 7.749 1.00 0.00 H new ATOM 610 N SER A 43 -2.554 -11.024 8.665 1.00 0.00 N ATOM 611 CA SER A 43 -3.757 -11.829 8.812 1.00 0.00 C ATOM 612 C SER A 43 -3.587 -12.839 9.938 1.00 0.00 C ATOM 613 O SER A 43 -4.563 -13.306 10.526 1.00 0.00 O ATOM 614 CB SER A 43 -4.028 -12.582 7.515 1.00 0.00 C ATOM 615 OG SER A 43 -3.158 -13.703 7.444 1.00 0.00 O ATOM 0 H SER A 43 -2.044 -11.178 7.795 1.00 0.00 H new ATOM 0 HA SER A 43 -4.591 -11.167 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.067 -12.908 7.479 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.870 -11.927 6.658 1.00 0.00 H new ATOM 0 HG SER A 43 -3.677 -14.508 7.236 1.00 0.00 H new ATOM 621 N GLU A 44 -2.338 -13.188 10.219 1.00 0.00 N ATOM 622 CA GLU A 44 -2.043 -14.163 11.259 1.00 0.00 C ATOM 623 C GLU A 44 -1.796 -13.500 12.609 1.00 0.00 C ATOM 624 O GLU A 44 -2.622 -13.587 13.516 1.00 0.00 O ATOM 625 CB GLU A 44 -0.806 -14.963 10.855 1.00 0.00 C ATOM 626 CG GLU A 44 -1.090 -15.701 9.542 1.00 0.00 C ATOM 627 CD GLU A 44 0.100 -16.573 9.152 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.174 -16.351 9.686 1.00 0.00 O ATOM 629 OE2 GLU A 44 -0.084 -17.452 8.328 1.00 0.00 O ATOM 0 H GLU A 44 -1.517 -12.812 9.744 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.909 -14.817 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.049 -14.298 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.547 -15.676 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.981 -16.319 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.296 -14.981 8.750 1.00 0.00 H new ATOM 636 N GLU A 45 -0.640 -12.863 12.740 1.00 0.00 N ATOM 637 CA GLU A 45 -0.261 -12.212 13.986 1.00 0.00 C ATOM 638 C GLU A 45 -1.225 -11.089 14.359 1.00 0.00 C ATOM 639 O GLU A 45 -1.432 -10.803 15.538 1.00 0.00 O ATOM 640 CB GLU A 45 1.143 -11.641 13.834 1.00 0.00 C ATOM 641 CG GLU A 45 2.107 -12.776 13.487 1.00 0.00 C ATOM 642 CD GLU A 45 3.539 -12.255 13.483 1.00 0.00 C ATOM 643 OE1 GLU A 45 3.713 -11.064 13.295 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.437 -13.054 13.687 1.00 0.00 O ATOM 0 H GLU A 45 0.053 -12.783 11.996 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.294 -12.955 14.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.158 -10.882 13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.453 -11.153 14.758 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.007 -13.585 14.211 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.858 -13.190 12.510 1.00 0.00 H new ATOM 651 N GLY A 46 -1.795 -10.443 13.353 1.00 0.00 N ATOM 652 CA GLY A 46 -2.713 -9.343 13.599 1.00 0.00 C ATOM 653 C GLY A 46 -1.932 -8.051 13.822 1.00 0.00 C ATOM 654 O GLY A 46 -2.345 -6.982 13.377 1.00 0.00 O ATOM 0 H GLY A 46 -1.640 -10.659 12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.390 -9.227 12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.329 -9.561 14.472 1.00 0.00 H new ATOM 658 N ASP A 47 -0.795 -8.170 14.509 1.00 0.00 N ATOM 659 CA ASP A 47 0.057 -7.017 14.795 1.00 0.00 C ATOM 660 C ASP A 47 -0.751 -5.722 14.783 1.00 0.00 C ATOM 661 O ASP A 47 -1.940 -5.718 15.101 1.00 0.00 O ATOM 662 CB ASP A 47 1.193 -6.941 13.770 1.00 0.00 C ATOM 663 CG ASP A 47 2.328 -6.083 14.316 1.00 0.00 C ATOM 664 OD1 ASP A 47 2.247 -5.689 15.466 1.00 0.00 O ATOM 665 OD2 ASP A 47 3.265 -5.834 13.576 1.00 0.00 O ATOM 0 H ASP A 47 -0.444 -9.054 14.877 1.00 0.00 H new ATOM 0 HA ASP A 47 0.480 -7.142 15.792 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.559 -7.943 13.545 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.824 -6.519 12.835 1.00 0.00 H new ATOM 670 N GLU A 48 -0.099 -4.622 14.430 1.00 0.00 N ATOM 671 CA GLU A 48 -0.782 -3.336 14.394 1.00 0.00 C ATOM 672 C GLU A 48 -1.076 -2.929 12.952 1.00 0.00 C ATOM 673 O GLU A 48 -0.234 -3.095 12.072 1.00 0.00 O ATOM 674 CB GLU A 48 0.073 -2.251 15.055 1.00 0.00 C ATOM 675 CG GLU A 48 1.554 -2.627 14.973 1.00 0.00 C ATOM 676 CD GLU A 48 2.414 -1.427 15.367 1.00 0.00 C ATOM 677 OE1 GLU A 48 1.966 -0.310 15.167 1.00 0.00 O ATOM 678 OE2 GLU A 48 3.508 -1.644 15.865 1.00 0.00 O ATOM 0 H GLU A 48 0.886 -4.593 14.168 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.719 -3.439 14.942 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.095 -1.294 14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.222 -2.129 16.097 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.762 -3.468 15.634 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.802 -2.948 13.961 1.00 0.00 H new ATOM 685 N PRO A 49 -2.238 -2.394 12.693 1.00 0.00 N ATOM 686 CA PRO A 49 -2.616 -1.957 11.323 1.00 0.00 C ATOM 687 C PRO A 49 -1.858 -0.697 10.915 1.00 0.00 C ATOM 688 O PRO A 49 -1.619 0.186 11.737 1.00 0.00 O ATOM 689 CB PRO A 49 -4.121 -1.704 11.421 1.00 0.00 C ATOM 690 CG PRO A 49 -4.383 -1.410 12.863 1.00 0.00 C ATOM 691 CD PRO A 49 -3.311 -2.146 13.669 1.00 0.00 C ATOM 0 HA PRO A 49 -2.369 -2.696 10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.420 -0.868 10.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.688 -2.574 11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.340 -0.337 13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.380 -1.745 13.150 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.958 -1.544 14.506 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.694 -3.077 14.086 1.00 0.00 H new ATOM 699 N GLN A 50 -1.480 -0.623 9.646 1.00 0.00 N ATOM 700 CA GLN A 50 -0.740 0.535 9.150 1.00 0.00 C ATOM 701 C GLN A 50 -1.605 1.310 8.168 1.00 0.00 C ATOM 702 O GLN A 50 -2.402 0.720 7.447 1.00 0.00 O ATOM 703 CB GLN A 50 0.539 0.068 8.450 1.00 0.00 C ATOM 704 CG GLN A 50 1.326 -0.859 9.380 1.00 0.00 C ATOM 705 CD GLN A 50 2.122 -1.863 8.552 1.00 0.00 C ATOM 706 OE1 GLN A 50 2.951 -1.474 7.727 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.916 -3.142 8.719 1.00 0.00 N ATOM 0 H GLN A 50 -1.669 -1.341 8.946 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.477 1.180 9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.290 -0.454 7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.150 0.928 8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.000 -0.275 10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.644 -1.384 10.048 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.230 -3.463 9.402 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.441 -3.820 8.166 1.00 0.00 H new ATOM 716 N TYR A 51 -1.464 2.629 8.140 1.00 0.00 N ATOM 717 CA TYR A 51 -2.275 3.422 7.230 1.00 0.00 C ATOM 718 C TYR A 51 -1.413 4.299 6.325 1.00 0.00 C ATOM 719 O TYR A 51 -0.466 4.941 6.779 1.00 0.00 O ATOM 720 CB TYR A 51 -3.222 4.323 8.023 1.00 0.00 C ATOM 721 CG TYR A 51 -3.892 3.541 9.134 1.00 0.00 C ATOM 722 CD1 TYR A 51 -4.920 2.642 8.836 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.490 3.728 10.464 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.545 1.929 9.864 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.118 3.012 11.492 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.146 2.115 11.190 1.00 0.00 C ATOM 727 OH TYR A 51 -5.765 1.407 12.200 1.00 0.00 O ATOM 0 H TYR A 51 -0.814 3.159 8.720 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.840 2.727 6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.668 5.162 8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.978 4.741 7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.232 2.498 7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.697 4.423 10.696 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.338 1.233 9.632 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.808 3.153 12.517 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.297 1.567 13.046 1.00 0.00 H new ATOM 737 N LEU A 52 -1.780 4.344 5.044 1.00 0.00 N ATOM 738 CA LEU A 52 -1.077 5.169 4.068 1.00 0.00 C ATOM 739 C LEU A 52 -2.100 6.001 3.311 1.00 0.00 C ATOM 740 O LEU A 52 -3.100 5.470 2.824 1.00 0.00 O ATOM 741 CB LEU A 52 -0.307 4.296 3.078 1.00 0.00 C ATOM 742 CG LEU A 52 0.525 3.269 3.841 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.079 2.240 2.856 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.688 3.971 4.545 1.00 0.00 C ATOM 0 H LEU A 52 -2.563 3.816 4.660 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.367 5.812 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.001 3.790 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.341 4.916 2.458 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.101 2.772 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.674 1.504 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.253 1.739 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.705 2.743 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.281 3.236 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.316 4.467 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.297 4.711 5.243 1.00 0.00 H new ATOM 756 N ASP A 53 -1.854 7.298 3.214 1.00 0.00 N ATOM 757 CA ASP A 53 -2.785 8.174 2.509 1.00 0.00 C ATOM 758 C ASP A 53 -2.246 8.575 1.138 1.00 0.00 C ATOM 759 O ASP A 53 -1.095 8.990 1.006 1.00 0.00 O ATOM 760 CB ASP A 53 -3.072 9.428 3.336 1.00 0.00 C ATOM 761 CG ASP A 53 -3.702 9.041 4.671 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.841 7.855 4.918 1.00 0.00 O ATOM 763 OD2 ASP A 53 -4.030 9.937 5.430 1.00 0.00 O ATOM 0 H ASP A 53 -1.035 7.764 3.605 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.711 7.618 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.148 9.980 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.742 10.090 2.787 1.00 0.00 H new ATOM 768 N LEU A 54 -3.100 8.465 0.126 1.00 0.00 N ATOM 769 CA LEU A 54 -2.724 8.830 -1.232 1.00 0.00 C ATOM 770 C LEU A 54 -3.730 9.828 -1.791 1.00 0.00 C ATOM 771 O LEU A 54 -4.893 9.839 -1.388 1.00 0.00 O ATOM 772 CB LEU A 54 -2.701 7.591 -2.130 1.00 0.00 C ATOM 773 CG LEU A 54 -2.068 6.412 -1.394 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.480 5.108 -2.080 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.549 6.550 -1.446 1.00 0.00 C ATOM 0 H LEU A 54 -4.057 8.126 0.222 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.730 9.276 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.716 7.336 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.140 7.804 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.403 6.401 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.030 4.264 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.566 5.012 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.138 5.118 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.089 5.712 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.219 6.554 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.252 7.483 -0.968 1.00 0.00 H new ATOM 787 N PRO A 55 -3.308 10.657 -2.704 1.00 0.00 N ATOM 788 CA PRO A 55 -4.197 11.680 -3.329 1.00 0.00 C ATOM 789 C PRO A 55 -5.337 11.059 -4.138 1.00 0.00 C ATOM 790 O PRO A 55 -5.229 9.935 -4.624 1.00 0.00 O ATOM 791 CB PRO A 55 -3.271 12.497 -4.237 1.00 0.00 C ATOM 792 CG PRO A 55 -1.998 11.724 -4.372 1.00 0.00 C ATOM 793 CD PRO A 55 -1.939 10.707 -3.235 1.00 0.00 C ATOM 0 HA PRO A 55 -4.689 12.285 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.730 12.657 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.081 13.481 -3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.960 11.219 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.139 12.394 -4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.619 9.729 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.228 11.013 -2.467 1.00 0.00 H new ATOM 801 N SER A 56 -6.427 11.808 -4.275 1.00 0.00 N ATOM 802 CA SER A 56 -7.581 11.330 -5.028 1.00 0.00 C ATOM 803 C SER A 56 -7.171 10.989 -6.454 1.00 0.00 C ATOM 804 O SER A 56 -7.917 10.344 -7.192 1.00 0.00 O ATOM 805 CB SER A 56 -8.663 12.407 -5.061 1.00 0.00 C ATOM 806 OG SER A 56 -8.086 13.631 -5.497 1.00 0.00 O ATOM 0 H SER A 56 -6.535 12.741 -3.878 1.00 0.00 H new ATOM 0 HA SER A 56 -7.970 10.436 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.469 12.111 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.102 12.530 -4.071 1.00 0.00 H new ATOM 0 HG SER A 56 -8.775 14.327 -5.522 1.00 0.00 H new ATOM 812 N THR A 57 -5.988 11.444 -6.840 1.00 0.00 N ATOM 813 CA THR A 57 -5.491 11.201 -8.185 1.00 0.00 C ATOM 814 C THR A 57 -4.649 9.928 -8.242 1.00 0.00 C ATOM 815 O THR A 57 -4.254 9.487 -9.323 1.00 0.00 O ATOM 816 CB THR A 57 -4.651 12.397 -8.644 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.500 12.514 -7.817 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.484 13.673 -8.538 1.00 0.00 C ATOM 0 H THR A 57 -5.358 11.981 -6.244 1.00 0.00 H new ATOM 0 HA THR A 57 -6.346 11.072 -8.848 1.00 0.00 H new ATOM 0 HB THR A 57 -4.342 12.248 -9.678 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.962 13.278 -8.112 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.888 14.525 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.367 13.585 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.793 13.821 -7.503 1.00 0.00 H new ATOM 826 N ALA A 58 -4.387 9.335 -7.080 1.00 0.00 N ATOM 827 CA ALA A 58 -3.598 8.108 -7.025 1.00 0.00 C ATOM 828 C ALA A 58 -4.496 6.893 -7.209 1.00 0.00 C ATOM 829 O ALA A 58 -5.600 6.840 -6.666 1.00 0.00 O ATOM 830 CB ALA A 58 -2.852 8.005 -5.690 1.00 0.00 C ATOM 0 H ALA A 58 -4.705 9.679 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.867 8.136 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.270 7.084 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.184 8.859 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.571 7.999 -4.871 1.00 0.00 H new ATOM 836 N THR A 59 -4.029 5.919 -7.977 1.00 0.00 N ATOM 837 CA THR A 59 -4.819 4.719 -8.213 1.00 0.00 C ATOM 838 C THR A 59 -3.999 3.458 -7.977 1.00 0.00 C ATOM 839 O THR A 59 -4.408 2.367 -8.372 1.00 0.00 O ATOM 840 CB THR A 59 -5.351 4.719 -9.644 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.260 4.785 -10.552 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.264 5.928 -9.846 1.00 0.00 C ATOM 0 H THR A 59 -3.121 5.934 -8.441 1.00 0.00 H new ATOM 0 HA THR A 59 -5.651 4.724 -7.509 1.00 0.00 H new ATOM 0 HB THR A 59 -5.917 3.805 -9.825 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.599 4.783 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.645 5.930 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.099 5.874 -9.147 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.700 6.844 -9.668 1.00 0.00 H new ATOM 850 N SER A 60 -2.842 3.602 -7.339 1.00 0.00 N ATOM 851 CA SER A 60 -1.991 2.448 -7.073 1.00 0.00 C ATOM 852 C SER A 60 -0.950 2.783 -6.006 1.00 0.00 C ATOM 853 O SER A 60 -0.514 3.928 -5.891 1.00 0.00 O ATOM 854 CB SER A 60 -1.305 2.012 -8.367 1.00 0.00 C ATOM 855 OG SER A 60 -0.497 3.076 -8.855 1.00 0.00 O ATOM 0 H SER A 60 -2.476 4.492 -7.001 1.00 0.00 H new ATOM 0 HA SER A 60 -2.607 1.630 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.692 1.129 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.051 1.736 -9.112 1.00 0.00 H new ATOM 0 HG SER A 60 -0.055 2.797 -9.684 1.00 0.00 H new ATOM 861 N VAL A 61 -0.561 1.782 -5.216 1.00 0.00 N ATOM 862 CA VAL A 61 0.417 2.012 -4.156 1.00 0.00 C ATOM 863 C VAL A 61 1.264 0.778 -3.890 1.00 0.00 C ATOM 864 O VAL A 61 0.776 -0.350 -3.942 1.00 0.00 O ATOM 865 CB VAL A 61 -0.301 2.389 -2.862 1.00 0.00 C ATOM 866 CG1 VAL A 61 -1.020 1.156 -2.300 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.723 2.887 -1.838 1.00 0.00 C ATOM 0 H VAL A 61 -0.901 0.823 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 61 1.069 2.820 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.028 3.176 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.533 1.424 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.747 0.796 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.291 0.371 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.212 3.157 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.448 2.099 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.239 3.761 -2.235 1.00 0.00 H new ATOM 877 N ASN A 62 2.526 1.011 -3.562 1.00 0.00 N ATOM 878 CA ASN A 62 3.436 -0.074 -3.240 1.00 0.00 C ATOM 879 C ASN A 62 3.609 -0.134 -1.720 1.00 0.00 C ATOM 880 O ASN A 62 3.920 0.875 -1.089 1.00 0.00 O ATOM 881 CB ASN A 62 4.790 0.155 -3.914 1.00 0.00 C ATOM 882 CG ASN A 62 5.708 -1.030 -3.638 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.930 -0.875 -3.606 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.190 -2.208 -3.431 1.00 0.00 N ATOM 0 H ASN A 62 2.941 1.941 -3.512 1.00 0.00 H new ATOM 0 HA ASN A 62 3.028 -1.017 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.656 0.281 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.243 1.073 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.797 -3.006 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.178 -2.332 -3.458 1.00 0.00 H new ATOM 891 N ILE A 63 3.379 -1.306 -1.132 1.00 0.00 N ATOM 892 CA ILE A 63 3.489 -1.455 0.322 1.00 0.00 C ATOM 893 C ILE A 63 4.848 -2.040 0.725 1.00 0.00 C ATOM 894 O ILE A 63 5.138 -3.196 0.425 1.00 0.00 O ATOM 895 CB ILE A 63 2.370 -2.365 0.822 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.087 -2.037 0.054 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.152 -2.125 2.316 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.129 -2.524 0.844 1.00 0.00 C ATOM 0 H ILE A 63 3.119 -2.157 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 63 3.401 -0.467 0.775 1.00 0.00 H new ATOM 0 HB ILE A 63 2.637 -3.410 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.017 -0.962 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.108 -2.511 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.353 -2.774 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.071 -2.346 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.876 -1.084 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.039 -2.288 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.061 -3.602 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.154 -2.029 1.815 1.00 0.00 H new ATOM 910 N PRO A 64 5.688 -1.272 1.388 1.00 0.00 N ATOM 911 CA PRO A 64 7.033 -1.731 1.824 1.00 0.00 C ATOM 912 C PRO A 64 7.057 -2.297 3.244 1.00 0.00 C ATOM 913 O PRO A 64 6.061 -2.268 3.965 1.00 0.00 O ATOM 914 CB PRO A 64 7.842 -0.446 1.757 1.00 0.00 C ATOM 915 CG PRO A 64 6.879 0.632 2.149 1.00 0.00 C ATOM 916 CD PRO A 64 5.470 0.125 1.800 1.00 0.00 C ATOM 0 HA PRO A 64 7.405 -2.549 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.695 -0.480 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.237 -0.279 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.957 0.850 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.099 1.558 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.799 0.189 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.021 0.712 0.999 1.00 0.00 H new ATOM 924 N ASP A 65 8.227 -2.795 3.623 1.00 0.00 N ATOM 925 CA ASP A 65 8.450 -3.365 4.948 1.00 0.00 C ATOM 926 C ASP A 65 7.526 -4.550 5.213 1.00 0.00 C ATOM 927 O ASP A 65 7.051 -4.735 6.333 1.00 0.00 O ATOM 928 CB ASP A 65 8.219 -2.298 6.024 1.00 0.00 C ATOM 929 CG ASP A 65 9.216 -1.156 5.857 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.055 -1.255 4.980 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.126 -0.202 6.615 1.00 0.00 O ATOM 0 H ASP A 65 9.050 -2.816 3.021 1.00 0.00 H new ATOM 0 HA ASP A 65 9.481 -3.717 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.201 -1.915 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.325 -2.741 7.014 1.00 0.00 H new ATOM 936 N LEU A 66 7.291 -5.369 4.193 1.00 0.00 N ATOM 937 CA LEU A 66 6.443 -6.543 4.364 1.00 0.00 C ATOM 938 C LEU A 66 7.287 -7.728 4.841 1.00 0.00 C ATOM 939 O LEU A 66 8.450 -7.853 4.460 1.00 0.00 O ATOM 940 CB LEU A 66 5.749 -6.883 3.044 1.00 0.00 C ATOM 941 CG LEU A 66 4.950 -5.673 2.547 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.955 -6.122 1.474 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.189 -5.040 3.714 1.00 0.00 C ATOM 0 H LEU A 66 7.669 -5.245 3.254 1.00 0.00 H new ATOM 0 HA LEU A 66 5.682 -6.329 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.489 -7.172 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.085 -7.736 3.182 1.00 0.00 H new ATOM 0 HG LEU A 66 5.636 -4.939 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.387 -5.261 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.496 -6.567 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.272 -6.859 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.623 -4.180 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.505 -5.772 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.897 -4.716 4.477 1.00 0.00 H new ATOM 955 N LEU A 67 6.705 -8.582 5.688 1.00 0.00 N ATOM 956 CA LEU A 67 7.426 -9.736 6.218 1.00 0.00 C ATOM 957 C LEU A 67 7.325 -10.943 5.287 1.00 0.00 C ATOM 958 O LEU A 67 6.254 -11.534 5.142 1.00 0.00 O ATOM 959 CB LEU A 67 6.852 -10.126 7.582 1.00 0.00 C ATOM 960 CG LEU A 67 7.448 -9.227 8.665 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.549 -9.240 9.905 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.840 -9.746 9.040 1.00 0.00 C ATOM 0 H LEU A 67 5.744 -8.495 6.018 1.00 0.00 H new ATOM 0 HA LEU A 67 8.474 -9.451 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.766 -10.030 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.077 -11.170 7.798 1.00 0.00 H new ATOM 0 HG LEU A 67 7.523 -8.207 8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.979 -8.597 10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.557 -8.874 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.470 -10.258 10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.270 -9.108 9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.759 -10.766 9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.482 -9.733 8.160 1.00 0.00 H new ATOM 974 N PRO A 68 8.412 -11.342 4.679 1.00 0.00 N ATOM 975 CA PRO A 68 8.422 -12.530 3.780 1.00 0.00 C ATOM 976 C PRO A 68 7.892 -13.769 4.498 1.00 0.00 C ATOM 977 O PRO A 68 8.278 -14.046 5.635 1.00 0.00 O ATOM 978 CB PRO A 68 9.896 -12.714 3.420 1.00 0.00 C ATOM 979 CG PRO A 68 10.541 -11.393 3.667 1.00 0.00 C ATOM 980 CD PRO A 68 9.737 -10.711 4.769 1.00 0.00 C ATOM 0 HA PRO A 68 7.786 -12.390 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.353 -13.493 4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.010 -13.016 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.581 -11.521 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.544 -10.789 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.189 -10.867 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.678 -9.634 4.613 1.00 0.00 H new ATOM 988 N GLY A 69 7.014 -14.515 3.837 1.00 0.00 N ATOM 989 CA GLY A 69 6.457 -15.720 4.438 1.00 0.00 C ATOM 990 C GLY A 69 5.269 -15.394 5.346 1.00 0.00 C ATOM 991 O GLY A 69 4.834 -16.235 6.132 1.00 0.00 O ATOM 0 H GLY A 69 6.676 -14.310 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.139 -16.406 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.228 -16.231 5.015 1.00 0.00 H new ATOM 995 N ARG A 70 4.747 -14.172 5.237 1.00 0.00 N ATOM 996 CA ARG A 70 3.610 -13.763 6.062 1.00 0.00 C ATOM 997 C ARG A 70 2.428 -13.352 5.186 1.00 0.00 C ATOM 998 O ARG A 70 2.613 -12.895 4.059 1.00 0.00 O ATOM 999 CB ARG A 70 4.008 -12.587 6.961 1.00 0.00 C ATOM 1000 CG ARG A 70 5.109 -13.012 7.941 1.00 0.00 C ATOM 1001 CD ARG A 70 4.631 -14.200 8.785 1.00 0.00 C ATOM 1002 NE ARG A 70 5.400 -14.294 10.022 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.297 -13.365 10.967 1.00 0.00 C ATOM 1004 NH1 ARG A 70 4.544 -12.317 10.776 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.960 -13.493 12.082 1.00 0.00 N ATOM 0 H ARG A 70 5.088 -13.457 4.595 1.00 0.00 H new ATOM 0 HA ARG A 70 3.315 -14.611 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.358 -11.755 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.138 -12.232 7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.010 -13.285 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.372 -12.177 8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.572 -14.086 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.735 -15.123 8.215 1.00 0.00 H new ATOM 0 HE ARG A 70 6.027 -15.086 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.033 -12.209 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.467 -11.605 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.558 -14.306 12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.881 -12.780 12.807 1.00 0.00 H new ATOM 1019 N LYS A 71 1.214 -13.510 5.716 1.00 0.00 N ATOM 1020 CA LYS A 71 0.013 -13.142 4.975 1.00 0.00 C ATOM 1021 C LYS A 71 -0.543 -11.829 5.508 1.00 0.00 C ATOM 1022 O LYS A 71 -0.778 -11.682 6.709 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.051 -14.240 5.100 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.141 -14.032 4.038 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.205 -15.127 4.164 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.197 -15.015 3.002 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.132 -16.176 3.037 1.00 0.00 N ATOM 0 H LYS A 71 1.040 -13.887 6.648 1.00 0.00 H new ATOM 0 HA LYS A 71 0.276 -13.024 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.591 -15.220 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.493 -14.219 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.599 -13.051 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.700 -14.054 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.733 -16.109 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.730 -15.031 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.755 -14.082 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.662 -14.993 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.807 -16.102 2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.591 -17.060 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.651 -16.177 3.938 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.769 -10.887 4.610 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.317 -9.595 4.994 1.00 0.00 C ATOM 1043 C TYR A 72 -2.689 -9.405 4.373 1.00 0.00 C ATOM 1044 O TYR A 72 -3.001 -9.994 3.336 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.428 -8.457 4.496 1.00 0.00 C ATOM 1046 CG TYR A 72 0.885 -8.431 5.240 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.946 -9.244 4.827 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.043 -7.573 6.336 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.166 -9.201 5.512 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.265 -7.525 7.017 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.324 -8.341 6.606 1.00 0.00 C ATOM 1052 OH TYR A 72 4.529 -8.289 7.272 1.00 0.00 O ATOM 0 H TYR A 72 -0.583 -10.990 3.612 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.377 -9.576 6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.243 -8.576 3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.943 -7.505 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.824 -9.904 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.222 -6.948 6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.985 -9.831 5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.390 -6.859 7.858 1.00 0.00 H new ATOM 0 HH TYR A 72 4.470 -7.641 8.005 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.482 -8.543 4.983 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.798 -8.229 4.459 1.00 0.00 C ATOM 1064 C ILE A 73 -4.755 -6.805 3.948 1.00 0.00 C ATOM 1065 O ILE A 73 -4.228 -5.924 4.615 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.858 -8.368 5.546 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.755 -9.764 6.155 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.243 -8.189 4.921 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.663 -9.859 7.378 1.00 0.00 C ATOM 0 H ILE A 73 -3.238 -8.048 5.841 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.060 -8.919 3.657 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.706 -7.614 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.041 -10.515 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.723 -9.972 6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.006 -8.287 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.312 -7.201 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.399 -8.951 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.587 -10.857 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.357 -9.119 8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.694 -9.670 7.081 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.266 -6.581 2.754 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.222 -5.245 2.188 1.00 0.00 C ATOM 1083 C VAL A 74 -6.618 -4.717 1.890 1.00 0.00 C ATOM 1084 O VAL A 74 -7.428 -5.388 1.251 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.402 -5.253 0.900 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.157 -3.812 0.456 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -3.058 -5.947 1.144 1.00 0.00 C ATOM 0 H VAL A 74 -5.708 -7.288 2.167 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.757 -4.589 2.924 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.947 -5.792 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.572 -3.809 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.113 -3.318 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.612 -3.279 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.477 -5.950 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.507 -5.412 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.232 -6.974 1.466 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.875 -3.495 2.345 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.160 -2.850 2.120 1.00 0.00 C ATOM 1099 C ASN A 75 -7.938 -1.406 1.680 1.00 0.00 C ATOM 1100 O ASN A 75 -7.309 -0.621 2.389 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.992 -2.885 3.405 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.027 -4.305 3.959 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.734 -5.164 3.431 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.300 -4.602 4.999 1.00 0.00 N ATOM 0 H ASN A 75 -6.208 -2.932 2.873 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.699 -3.383 1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.565 -2.207 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.006 -2.539 3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.315 -5.549 5.378 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.716 -3.888 5.434 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.450 -1.062 0.505 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.287 0.298 -0.010 1.00 0.00 C ATOM 1113 C VAL A 76 -9.574 1.089 0.161 1.00 0.00 C ATOM 1114 O VAL A 76 -10.647 0.648 -0.254 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.908 0.266 -1.496 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.675 1.691 -2.005 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.623 -0.548 -1.684 1.00 0.00 C ATOM 0 H VAL A 76 -8.974 -1.692 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.490 0.780 0.556 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.721 -0.194 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.406 1.661 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.586 2.276 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.866 2.152 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.357 -0.569 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.815 -0.089 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.782 -1.567 -1.330 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.462 2.264 0.773 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.628 3.109 0.991 1.00 0.00 C ATOM 1129 C TYR A 77 -10.440 4.470 0.339 1.00 0.00 C ATOM 1130 O TYR A 77 -9.391 5.083 0.479 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.841 3.339 2.489 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.734 2.036 3.235 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.864 1.233 3.411 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.499 1.634 3.757 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.762 0.026 4.108 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.396 0.428 4.454 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.527 -0.378 4.628 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.422 -1.566 5.314 1.00 0.00 O ATOM 0 H TYR A 77 -8.585 2.649 1.123 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.487 2.600 0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.100 4.044 2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.821 3.785 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.816 1.545 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.627 2.256 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.635 -0.594 4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.444 0.118 4.859 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.219 -2.111 5.148 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.467 4.964 -0.330 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.371 6.287 -0.931 1.00 0.00 C ATOM 1150 C GLN A 78 -12.002 7.287 0.029 1.00 0.00 C ATOM 1151 O GLN A 78 -13.090 7.048 0.555 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.082 6.328 -2.280 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.561 6.657 -2.078 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.311 6.457 -3.383 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.485 6.087 -3.378 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -13.696 6.687 -4.509 1.00 0.00 N ATOM 0 H GLN A 78 -12.357 4.485 -0.470 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.324 6.536 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.618 7.076 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.980 5.367 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.983 6.018 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.672 7.687 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.723 6.993 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.188 6.561 -5.394 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.316 8.391 0.275 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.823 9.392 1.200 1.00 0.00 C ATOM 1167 C ILE A 79 -12.527 10.509 0.452 1.00 0.00 C ATOM 1168 O ILE A 79 -11.971 11.117 -0.462 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.678 9.968 2.030 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.921 8.810 2.685 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.255 10.882 3.114 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.695 9.334 3.435 1.00 0.00 C ATOM 0 H ILE A 79 -10.415 8.616 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.542 8.911 1.863 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.002 10.542 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.579 8.280 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.612 8.093 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.442 11.297 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.813 11.693 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.921 10.307 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.166 8.500 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.031 9.843 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.013 10.033 4.208 1.00 0.00 H new ATOM 1184 N SER A 80 -13.759 10.753 0.854 1.00 0.00 N ATOM 1185 CA SER A 80 -14.579 11.779 0.239 1.00 0.00 C ATOM 1186 C SER A 80 -14.318 13.143 0.867 1.00 0.00 C ATOM 1187 O SER A 80 -13.664 13.250 1.904 1.00 0.00 O ATOM 1188 CB SER A 80 -16.045 11.409 0.409 1.00 0.00 C ATOM 1189 OG SER A 80 -16.373 11.438 1.791 1.00 0.00 O ATOM 0 H SER A 80 -14.218 10.249 1.612 1.00 0.00 H new ATOM 0 HA SER A 80 -14.326 11.841 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.676 12.107 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.233 10.417 -0.002 1.00 0.00 H new ATOM 0 HG SER A 80 -16.418 12.368 2.097 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.839 14.183 0.226 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.665 15.543 0.719 1.00 0.00 C ATOM 1197 C GLU A 81 -15.298 15.693 2.102 1.00 0.00 C ATOM 1198 O GLU A 81 -14.988 16.630 2.838 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.303 16.540 -0.257 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.592 16.460 -1.609 1.00 0.00 C ATOM 1201 CD GLU A 81 -13.119 16.811 -1.448 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -12.812 17.608 -0.575 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -12.319 16.287 -2.208 1.00 0.00 O ATOM 0 H GLU A 81 -15.384 14.110 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.598 15.751 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.363 16.318 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.233 17.552 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.691 15.456 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.061 17.144 -2.316 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.190 14.763 2.450 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.855 14.818 3.752 1.00 0.00 C ATOM 1212 C ASP A 82 -16.097 13.990 4.791 1.00 0.00 C ATOM 1213 O ASP A 82 -16.486 13.937 5.959 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.293 14.307 3.630 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.298 12.807 3.358 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.300 12.170 3.649 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.299 12.319 2.860 1.00 0.00 O ATOM 0 H ASP A 82 -16.464 13.977 1.861 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.867 15.857 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.841 14.519 4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.806 14.832 2.824 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.004 13.361 4.365 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.193 12.560 5.278 1.00 0.00 C ATOM 1224 C GLY A 83 -14.704 11.126 5.406 1.00 0.00 C ATOM 1225 O GLY A 83 -14.243 10.378 6.267 1.00 0.00 O ATOM 0 H GLY A 83 -14.662 13.389 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.162 12.545 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.187 13.030 6.262 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.644 10.737 4.550 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.183 9.377 4.598 1.00 0.00 C ATOM 1231 C GLU A 84 -15.271 8.401 3.857 1.00 0.00 C ATOM 1232 O GLU A 84 -14.672 8.751 2.840 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.576 9.335 3.965 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.609 9.941 4.919 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.729 9.075 6.169 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.151 8.000 6.181 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.409 9.491 7.092 1.00 0.00 O ATOM 0 H GLU A 84 -16.045 11.332 3.825 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.245 9.082 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.573 9.885 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.846 8.305 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.314 10.954 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.577 10.015 4.423 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.185 7.172 4.360 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.358 6.155 3.722 1.00 0.00 C ATOM 1246 C GLN A 85 -15.226 5.080 3.078 1.00 0.00 C ATOM 1247 O GLN A 85 -16.230 4.648 3.646 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.426 5.505 4.745 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.332 6.489 5.160 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.498 5.890 6.290 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -12.010 5.113 7.098 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.237 6.202 6.393 1.00 0.00 N ATOM 0 H GLN A 85 -15.673 6.860 5.199 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.763 6.643 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.996 5.192 5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.976 4.608 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.694 6.718 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.779 7.428 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.814 6.845 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.673 5.803 7.143 1.00 0.00 H new ATOM 1261 N SER A 86 -14.823 4.648 1.889 1.00 0.00 N ATOM 1262 CA SER A 86 -15.555 3.618 1.170 1.00 0.00 C ATOM 1263 C SER A 86 -14.592 2.571 0.627 1.00 0.00 C ATOM 1264 O SER A 86 -13.588 2.905 0.001 1.00 0.00 O ATOM 1265 CB SER A 86 -16.343 4.242 0.020 1.00 0.00 C ATOM 1266 OG SER A 86 -16.892 3.209 -0.784 1.00 0.00 O ATOM 0 H SER A 86 -13.995 4.995 1.405 1.00 0.00 H new ATOM 0 HA SER A 86 -16.249 3.137 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.138 4.877 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.692 4.879 -0.579 1.00 0.00 H new ATOM 0 HG SER A 86 -17.400 3.605 -1.523 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.894 1.304 0.877 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.033 0.229 0.412 1.00 0.00 C ATOM 1274 C LEU A 87 -14.158 0.027 -1.095 1.00 0.00 C ATOM 1275 O LEU A 87 -15.243 -0.237 -1.612 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.390 -1.069 1.134 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.465 -2.190 0.663 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.100 -2.037 1.339 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.083 -3.541 1.028 1.00 0.00 C ATOM 0 H LEU A 87 -15.719 0.999 1.393 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.002 0.504 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.296 -0.935 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.429 -1.333 0.935 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.336 -2.136 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.437 -2.835 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.668 -1.072 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.221 -2.094 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.426 -4.344 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.210 -3.603 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.054 -3.640 0.542 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.032 0.152 -1.789 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.011 -0.020 -3.232 1.00 0.00 C ATOM 1293 C ILE A 88 -12.288 -1.310 -3.615 1.00 0.00 C ATOM 1294 O ILE A 88 -12.508 -1.853 -4.699 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.326 1.181 -3.882 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -10.885 1.279 -3.380 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.082 2.457 -3.511 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.182 2.447 -4.074 1.00 0.00 C ATOM 0 H ILE A 88 -12.126 0.371 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.038 -0.088 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.326 1.059 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.874 1.424 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.354 0.349 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.595 3.316 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.110 2.387 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.080 2.579 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.155 2.518 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.181 2.283 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.709 3.374 -3.849 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.428 -1.803 -2.724 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.697 -3.041 -3.000 1.00 0.00 C ATOM 1312 C LEU A 89 -10.218 -3.714 -1.716 1.00 0.00 C ATOM 1313 O LEU A 89 -9.550 -3.096 -0.884 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.497 -2.769 -3.911 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.788 -4.093 -4.216 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.678 -4.968 -5.098 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.471 -3.820 -4.943 1.00 0.00 C ATOM 0 H LEU A 89 -11.222 -1.375 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.390 -3.716 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.827 -2.297 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.808 -2.076 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.586 -4.610 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.168 -5.907 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.615 -5.173 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.887 -4.448 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.971 -4.765 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.673 -3.296 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.829 -3.204 -4.313 1.00 0.00 H new ATOM 1329 N SER A 90 -10.543 -4.993 -1.575 1.00 0.00 N ATOM 1330 CA SER A 90 -10.125 -5.761 -0.410 1.00 0.00 C ATOM 1331 C SER A 90 -9.568 -7.098 -0.863 1.00 0.00 C ATOM 1332 O SER A 90 -10.263 -7.880 -1.510 1.00 0.00 O ATOM 1333 CB SER A 90 -11.310 -5.996 0.526 1.00 0.00 C ATOM 1334 OG SER A 90 -10.975 -7.010 1.463 1.00 0.00 O ATOM 0 H SER A 90 -11.094 -5.520 -2.253 1.00 0.00 H new ATOM 0 HA SER A 90 -9.358 -5.201 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.565 -5.073 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.188 -6.291 -0.048 1.00 0.00 H new ATOM 0 HG SER A 90 -10.529 -6.606 2.237 1.00 0.00 H new ATOM 1340 N THR A 91 -8.312 -7.355 -0.531 1.00 0.00 N ATOM 1341 CA THR A 91 -7.682 -8.607 -0.928 1.00 0.00 C ATOM 1342 C THR A 91 -6.528 -8.952 0.004 1.00 0.00 C ATOM 1343 O THR A 91 -5.910 -8.066 0.585 1.00 0.00 O ATOM 1344 CB THR A 91 -7.166 -8.484 -2.356 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.830 -9.772 -2.842 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.930 -7.588 -2.379 1.00 0.00 C ATOM 0 H THR A 91 -7.715 -6.724 0.004 1.00 0.00 H new ATOM 0 HA THR A 91 -8.423 -9.404 -0.869 1.00 0.00 H new ATOM 0 HB THR A 91 -7.938 -8.045 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.499 -9.699 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.562 -7.501 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.190 -6.599 -2.002 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.153 -8.023 -1.750 1.00 0.00 H new ATOM 1354 N SER A 92 -6.230 -10.242 0.124 1.00 0.00 N ATOM 1355 CA SER A 92 -5.134 -10.688 0.977 1.00 0.00 C ATOM 1356 C SER A 92 -4.012 -11.240 0.118 1.00 0.00 C ATOM 1357 O SER A 92 -4.232 -11.641 -1.023 1.00 0.00 O ATOM 1358 CB SER A 92 -5.617 -11.777 1.936 1.00 0.00 C ATOM 1359 OG SER A 92 -5.781 -12.993 1.216 1.00 0.00 O ATOM 0 H SER A 92 -6.728 -10.992 -0.355 1.00 0.00 H new ATOM 0 HA SER A 92 -4.772 -9.838 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.898 -11.913 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.560 -11.482 2.395 1.00 0.00 H new ATOM 0 HG SER A 92 -6.373 -13.593 1.717 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.812 -11.260 0.670 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.666 -11.773 -0.064 1.00 0.00 C ATOM 1367 C GLN A 93 -0.688 -12.470 0.866 1.00 0.00 C ATOM 1368 O GLN A 93 -0.723 -12.283 2.082 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.937 -10.645 -0.783 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.815 -10.065 -1.887 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.988 -9.087 -2.712 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.255 -8.857 -2.372 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.479 -8.523 -3.689 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.605 -10.931 1.613 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.044 -12.490 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.672 -9.863 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.005 -11.018 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.199 -10.863 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.678 -9.558 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.448 -8.706 -3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.917 -7.873 -4.238 1.00 0.00 H new ATOM 1382 N THR A 94 0.193 -13.264 0.274 1.00 0.00 N ATOM 1383 CA THR A 94 1.197 -13.982 1.042 1.00 0.00 C ATOM 1384 C THR A 94 2.567 -13.802 0.410 1.00 0.00 C ATOM 1385 O THR A 94 2.869 -14.399 -0.624 1.00 0.00 O ATOM 1386 CB THR A 94 0.849 -15.469 1.090 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.535 -15.631 0.830 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.176 -16.033 2.471 1.00 0.00 C ATOM 0 H THR A 94 0.232 -13.426 -0.732 1.00 0.00 H new ATOM 0 HA THR A 94 1.216 -13.581 2.056 1.00 0.00 H new ATOM 0 HB THR A 94 1.431 -16.002 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.764 -16.584 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.926 -17.094 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.239 -15.905 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.596 -15.503 3.227 1.00 0.00 H new ATOM 1396 N THR A 95 3.397 -12.979 1.031 1.00 0.00 N ATOM 1397 CA THR A 95 4.731 -12.737 0.507 1.00 0.00 C ATOM 1398 C THR A 95 5.443 -14.058 0.242 1.00 0.00 C ATOM 1399 O THR A 95 6.431 -14.042 -0.476 1.00 0.00 O ATOM 1400 CB THR A 95 5.537 -11.907 1.505 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.644 -12.615 2.731 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.825 -10.573 1.743 1.00 0.00 C ATOM 1403 OXT THR A 95 4.990 -15.066 0.758 1.00 0.00 O ATOM 0 H THR A 95 3.174 -12.473 1.888 1.00 0.00 H new ATOM 0 HA THR A 95 4.645 -12.189 -0.431 1.00 0.00 H new ATOM 0 HB THR A 95 6.535 -11.722 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.813 -11.983 3.460 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.397 -9.977 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.742 -10.032 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.828 -10.759 2.143 1.00 0.00 H new TER 1411 THR A 95