USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 48 GLN :FLIP amide:sc= -5.47! F(o=-6,f=-4.2!) USER MOD Set 1.2: A 66 THR OG1 : rot -140:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 46:sc= 0.795 USER MOD Single : A 26 TYR OH : rot 120:sc= -3.09! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 31 MET CE :methyl 175:sc= -0.505 (180deg=-0.508) USER MOD Single : A 32 SER OG : rot 102:sc= -0.625 USER MOD Single : A 34 ASN : amide:sc= -1.56 K(o=-1.6,f=-8.3!) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0044) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -14:sc= 0.54 USER MOD Single : A 76 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.4) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.83) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.956 0.097 -18.244 1.00 0.00 N ATOM 2 CA GLY A 1 -32.649 -1.169 -17.605 1.00 0.00 C ATOM 3 C GLY A 1 -31.191 -1.555 -17.754 1.00 0.00 C ATOM 4 O GLY A 1 -30.825 -2.282 -18.678 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.964 0.316 -18.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.380 0.850 -17.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.744 0.033 -19.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.899 -1.108 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.275 -1.951 -18.036 1.00 0.00 H new ATOM 8 N SER A 2 -30.354 -1.067 -16.844 1.00 0.00 N ATOM 9 CA SER A 2 -28.926 -1.361 -16.882 1.00 0.00 C ATOM 10 C SER A 2 -28.417 -1.758 -15.500 1.00 0.00 C ATOM 11 O SER A 2 -28.447 -0.961 -14.562 1.00 0.00 O ATOM 12 CB SER A 2 -28.148 -0.148 -17.395 1.00 0.00 C ATOM 13 OG SER A 2 -26.884 -0.532 -17.906 1.00 0.00 O ATOM 0 H SER A 2 -30.640 -0.466 -16.071 1.00 0.00 H new ATOM 0 HA SER A 2 -28.770 -2.198 -17.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.722 0.353 -18.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.014 0.570 -16.586 1.00 0.00 H new ATOM 0 HG SER A 2 -26.407 0.261 -18.229 1.00 0.00 H new ATOM 19 N SER A 3 -27.949 -2.997 -15.382 1.00 0.00 N ATOM 20 CA SER A 3 -27.435 -3.503 -14.115 1.00 0.00 C ATOM 21 C SER A 3 -25.915 -3.624 -14.154 1.00 0.00 C ATOM 22 O SER A 3 -25.338 -4.012 -15.168 1.00 0.00 O ATOM 23 CB SER A 3 -28.058 -4.863 -13.795 1.00 0.00 C ATOM 24 OG SER A 3 -27.872 -5.774 -14.864 1.00 0.00 O ATOM 0 H SER A 3 -27.915 -3.669 -16.149 1.00 0.00 H new ATOM 0 HA SER A 3 -27.705 -2.794 -13.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.610 -5.267 -12.887 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.123 -4.741 -13.598 1.00 0.00 H new ATOM 0 HG SER A 3 -28.278 -6.636 -14.634 1.00 0.00 H new ATOM 30 N GLY A 4 -25.272 -3.288 -13.039 1.00 0.00 N ATOM 31 CA GLY A 4 -23.825 -3.365 -12.966 1.00 0.00 C ATOM 32 C GLY A 4 -23.292 -2.976 -11.601 1.00 0.00 C ATOM 33 O GLY A 4 -23.970 -2.293 -10.834 1.00 0.00 O ATOM 0 H GLY A 4 -25.728 -2.964 -12.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.506 -4.380 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.391 -2.711 -13.722 1.00 0.00 H new ATOM 37 N SER A 5 -22.074 -3.413 -11.297 1.00 0.00 N ATOM 38 CA SER A 5 -21.452 -3.112 -10.013 1.00 0.00 C ATOM 39 C SER A 5 -20.394 -2.023 -10.164 1.00 0.00 C ATOM 40 O SER A 5 -19.331 -2.251 -10.741 1.00 0.00 O ATOM 41 CB SER A 5 -20.822 -4.373 -9.419 1.00 0.00 C ATOM 42 OG SER A 5 -20.656 -4.248 -8.017 1.00 0.00 O ATOM 0 H SER A 5 -21.498 -3.977 -11.923 1.00 0.00 H new ATOM 0 HA SER A 5 -22.227 -2.750 -9.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.451 -5.236 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.855 -4.556 -9.888 1.00 0.00 H new ATOM 0 HG SER A 5 -20.253 -5.067 -7.661 1.00 0.00 H new ATOM 48 N SER A 6 -20.694 -0.839 -9.640 1.00 0.00 N ATOM 49 CA SER A 6 -19.771 0.288 -9.719 1.00 0.00 C ATOM 50 C SER A 6 -18.727 0.213 -8.609 1.00 0.00 C ATOM 51 O SER A 6 -19.036 -0.144 -7.473 1.00 0.00 O ATOM 52 CB SER A 6 -20.536 1.609 -9.627 1.00 0.00 C ATOM 53 OG SER A 6 -19.649 2.703 -9.473 1.00 0.00 O ATOM 0 H SER A 6 -21.569 -0.635 -9.156 1.00 0.00 H new ATOM 0 HA SER A 6 -19.259 0.240 -10.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.137 1.748 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.226 1.575 -8.784 1.00 0.00 H new ATOM 0 HG SER A 6 -20.163 3.536 -9.418 1.00 0.00 H new ATOM 59 N GLY A 7 -17.487 0.554 -8.948 1.00 0.00 N ATOM 60 CA GLY A 7 -16.414 0.519 -7.970 1.00 0.00 C ATOM 61 C GLY A 7 -15.688 -0.811 -7.953 1.00 0.00 C ATOM 62 O GLY A 7 -15.167 -1.257 -8.976 1.00 0.00 O ATOM 0 H GLY A 7 -17.206 0.854 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.702 1.315 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.823 0.719 -6.980 1.00 0.00 H new ATOM 66 N THR A 8 -15.652 -1.449 -6.787 1.00 0.00 N ATOM 67 CA THR A 8 -14.982 -2.735 -6.639 1.00 0.00 C ATOM 68 C THR A 8 -15.812 -3.860 -7.247 1.00 0.00 C ATOM 69 O THR A 8 -16.768 -4.338 -6.637 1.00 0.00 O ATOM 70 CB THR A 8 -14.706 -3.058 -5.159 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.931 -3.047 -4.418 1.00 0.00 O ATOM 72 CG2 THR A 8 -13.735 -2.053 -4.558 1.00 0.00 C ATOM 0 H THR A 8 -16.079 -1.096 -5.931 1.00 0.00 H new ATOM 0 HA THR A 8 -14.033 -2.660 -7.169 1.00 0.00 H new ATOM 0 HB THR A 8 -14.258 -4.050 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.616 -3.545 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.555 -2.301 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.793 -2.085 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.160 -1.052 -4.625 1.00 0.00 H new ATOM 80 N ASP A 9 -15.440 -4.279 -8.451 1.00 0.00 N ATOM 81 CA ASP A 9 -16.149 -5.350 -9.141 1.00 0.00 C ATOM 82 C ASP A 9 -15.422 -6.681 -8.972 1.00 0.00 C ATOM 83 O ASP A 9 -14.202 -6.734 -8.814 1.00 0.00 O ATOM 84 CB ASP A 9 -16.295 -5.020 -10.627 1.00 0.00 C ATOM 85 CG ASP A 9 -15.033 -5.319 -11.413 1.00 0.00 C ATOM 86 OD1 ASP A 9 -14.119 -4.468 -11.412 1.00 0.00 O ATOM 87 OD2 ASP A 9 -14.960 -6.402 -12.030 1.00 0.00 O ATOM 0 H ASP A 9 -14.651 -3.893 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.141 -5.439 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.123 -5.593 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.548 -3.966 -10.739 1.00 0.00 H new ATOM 92 N PRO A 10 -16.187 -7.782 -9.004 1.00 0.00 N ATOM 93 CA PRO A 10 -15.637 -9.133 -8.855 1.00 0.00 C ATOM 94 C PRO A 10 -14.806 -9.556 -10.061 1.00 0.00 C ATOM 95 O PRO A 10 -15.348 -9.968 -11.086 1.00 0.00 O ATOM 96 CB PRO A 10 -16.884 -10.011 -8.729 1.00 0.00 C ATOM 97 CG PRO A 10 -17.959 -9.246 -9.421 1.00 0.00 C ATOM 98 CD PRO A 10 -17.648 -7.793 -9.188 1.00 0.00 C ATOM 0 HA PRO A 10 -14.960 -9.207 -8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.730 -10.985 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.137 -10.192 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -17.977 -9.475 -10.486 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -18.940 -9.504 -9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.951 -7.176 -10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.166 -7.407 -8.310 1.00 0.00 H new ATOM 106 N GLY A 11 -13.487 -9.454 -9.931 1.00 0.00 N ATOM 107 CA GLY A 11 -12.603 -9.830 -11.018 1.00 0.00 C ATOM 108 C GLY A 11 -11.820 -11.093 -10.717 1.00 0.00 C ATOM 109 O GLY A 11 -11.820 -12.035 -11.509 1.00 0.00 O ATOM 0 H GLY A 11 -13.015 -9.117 -9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.189 -9.977 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.908 -9.014 -11.216 1.00 0.00 H new ATOM 113 N ALA A 12 -11.148 -11.112 -9.570 1.00 0.00 N ATOM 114 CA ALA A 12 -10.358 -12.268 -9.167 1.00 0.00 C ATOM 115 C ALA A 12 -10.322 -12.406 -7.648 1.00 0.00 C ATOM 116 O ALA A 12 -9.848 -11.514 -6.946 1.00 0.00 O ATOM 117 CB ALA A 12 -8.945 -12.161 -9.722 1.00 0.00 C ATOM 0 H ALA A 12 -11.135 -10.340 -8.904 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.831 -13.161 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.366 -13.031 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.984 -12.119 -10.810 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.472 -11.256 -9.340 1.00 0.00 H new ATOM 123 N GLU A 13 -10.828 -13.530 -7.149 1.00 0.00 N ATOM 124 CA GLU A 13 -10.855 -13.783 -5.713 1.00 0.00 C ATOM 125 C GLU A 13 -9.549 -13.342 -5.059 1.00 0.00 C ATOM 126 O GLU A 13 -8.481 -13.424 -5.665 1.00 0.00 O ATOM 127 CB GLU A 13 -11.100 -15.268 -5.439 1.00 0.00 C ATOM 128 CG GLU A 13 -9.930 -16.159 -5.822 1.00 0.00 C ATOM 129 CD GLU A 13 -10.069 -17.569 -5.281 1.00 0.00 C ATOM 130 OE1 GLU A 13 -10.400 -17.715 -4.086 1.00 0.00 O ATOM 131 OE2 GLU A 13 -9.847 -18.525 -6.052 1.00 0.00 O ATOM 0 H GLU A 13 -11.224 -14.279 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.671 -13.203 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.316 -15.402 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.985 -15.589 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.847 -16.197 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.006 -15.720 -5.447 1.00 0.00 H new ATOM 138 N GLU A 14 -9.644 -12.875 -3.818 1.00 0.00 N ATOM 139 CA GLU A 14 -8.470 -12.421 -3.082 1.00 0.00 C ATOM 140 C GLU A 14 -8.801 -12.209 -1.607 1.00 0.00 C ATOM 141 O GLU A 14 -9.864 -11.689 -1.266 1.00 0.00 O ATOM 142 CB GLU A 14 -7.932 -11.122 -3.686 1.00 0.00 C ATOM 143 CG GLU A 14 -6.435 -10.940 -3.506 1.00 0.00 C ATOM 144 CD GLU A 14 -5.628 -11.657 -4.571 1.00 0.00 C ATOM 145 OE1 GLU A 14 -6.168 -12.596 -5.192 1.00 0.00 O ATOM 146 OE2 GLU A 14 -4.456 -11.280 -4.783 1.00 0.00 O ATOM 0 H GLU A 14 -10.521 -12.801 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.705 -13.193 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.166 -11.102 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.449 -10.278 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.197 -9.877 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.143 -11.311 -2.523 1.00 0.00 H new ATOM 153 N LEU A 15 -7.883 -12.615 -0.737 1.00 0.00 N ATOM 154 CA LEU A 15 -8.077 -12.471 0.702 1.00 0.00 C ATOM 155 C LEU A 15 -8.591 -11.077 1.045 1.00 0.00 C ATOM 156 O LEU A 15 -8.395 -10.116 0.302 1.00 0.00 O ATOM 157 CB LEU A 15 -6.765 -12.740 1.442 1.00 0.00 C ATOM 158 CG LEU A 15 -6.346 -14.206 1.554 1.00 0.00 C ATOM 159 CD1 LEU A 15 -4.880 -14.314 1.946 1.00 0.00 C ATOM 160 CD2 LEU A 15 -7.224 -14.937 2.559 1.00 0.00 C ATOM 0 H LEU A 15 -6.998 -13.046 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.822 -13.201 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.968 -12.193 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.848 -12.329 2.448 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.476 -14.676 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.600 -15.365 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.264 -13.827 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.724 -13.827 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.911 -15.979 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.127 -14.466 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.264 -14.890 2.235 1.00 0.00 H new ATOM 172 N PRO A 16 -9.264 -10.962 2.200 1.00 0.00 N ATOM 173 CA PRO A 16 -9.818 -9.689 2.670 1.00 0.00 C ATOM 174 C PRO A 16 -8.732 -8.704 3.091 1.00 0.00 C ATOM 175 O PRO A 16 -7.948 -8.981 3.998 1.00 0.00 O ATOM 176 CB PRO A 16 -10.668 -10.096 3.876 1.00 0.00 C ATOM 177 CG PRO A 16 -10.056 -11.365 4.360 1.00 0.00 C ATOM 178 CD PRO A 16 -9.535 -12.066 3.136 1.00 0.00 C ATOM 0 HA PRO A 16 -10.379 -9.176 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.651 -9.328 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.711 -10.242 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.251 -11.165 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.791 -11.980 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.633 -12.638 3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.267 -12.765 2.731 1.00 0.00 H new ATOM 186 N ALA A 17 -8.693 -7.554 2.427 1.00 0.00 N ATOM 187 CA ALA A 17 -7.705 -6.527 2.735 1.00 0.00 C ATOM 188 C ALA A 17 -8.379 -5.213 3.115 1.00 0.00 C ATOM 189 O ALA A 17 -9.186 -4.676 2.356 1.00 0.00 O ATOM 190 CB ALA A 17 -6.772 -6.321 1.550 1.00 0.00 C ATOM 0 H ALA A 17 -9.334 -7.310 1.672 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.120 -6.865 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.039 -5.552 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.257 -7.255 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.351 -6.009 0.681 1.00 0.00 H new ATOM 196 N ARG A 18 -8.043 -4.701 4.294 1.00 0.00 N ATOM 197 CA ARG A 18 -8.617 -3.450 4.776 1.00 0.00 C ATOM 198 C ARG A 18 -8.213 -2.285 3.877 1.00 0.00 C ATOM 199 O ARG A 18 -7.026 -2.027 3.675 1.00 0.00 O ATOM 200 CB ARG A 18 -8.169 -3.179 6.213 1.00 0.00 C ATOM 201 CG ARG A 18 -8.529 -4.292 7.183 1.00 0.00 C ATOM 202 CD ARG A 18 -7.897 -4.068 8.548 1.00 0.00 C ATOM 203 NE ARG A 18 -6.440 -4.001 8.473 1.00 0.00 N ATOM 204 CZ ARG A 18 -5.665 -3.681 9.503 1.00 0.00 C ATOM 205 NH1 ARG A 18 -6.204 -3.402 10.681 1.00 0.00 N ATOM 206 NH2 ARG A 18 -4.347 -3.642 9.356 1.00 0.00 N ATOM 0 H ARG A 18 -7.376 -5.133 4.934 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.703 -3.545 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.089 -3.032 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.622 -2.249 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.613 -4.349 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.197 -5.249 6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.281 -3.143 8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.189 -4.876 9.219 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.993 -4.212 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.217 -3.433 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.606 -3.157 11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.928 -3.858 8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.753 -3.396 10.148 1.00 0.00 H new ATOM 220 N ILE A 19 -9.208 -1.585 3.342 1.00 0.00 N ATOM 221 CA ILE A 19 -8.955 -0.448 2.466 1.00 0.00 C ATOM 222 C ILE A 19 -8.774 0.835 3.270 1.00 0.00 C ATOM 223 O ILE A 19 -9.671 1.254 4.002 1.00 0.00 O ATOM 224 CB ILE A 19 -10.101 -0.250 1.456 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.389 -1.558 0.715 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.754 0.857 0.472 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.172 -2.148 0.036 1.00 0.00 C ATOM 0 H ILE A 19 -10.196 -1.785 3.500 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.036 -0.666 1.922 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.999 0.043 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.790 -2.285 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.162 -1.380 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.573 0.985 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.594 1.789 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.846 0.591 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.450 -3.073 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.783 -1.438 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.405 -2.358 0.782 1.00 0.00 H new ATOM 239 N PHE A 20 -7.609 1.457 3.127 1.00 0.00 N ATOM 240 CA PHE A 20 -7.310 2.694 3.839 1.00 0.00 C ATOM 241 C PHE A 20 -7.064 3.839 2.861 1.00 0.00 C ATOM 242 O PHE A 20 -6.380 3.672 1.851 1.00 0.00 O ATOM 243 CB PHE A 20 -6.087 2.506 4.739 1.00 0.00 C ATOM 244 CG PHE A 20 -6.408 1.868 6.061 1.00 0.00 C ATOM 245 CD1 PHE A 20 -6.651 0.507 6.147 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.467 2.630 7.217 1.00 0.00 C ATOM 247 CE1 PHE A 20 -6.946 -0.083 7.362 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.761 2.045 8.434 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.002 0.687 8.506 1.00 0.00 C ATOM 0 H PHE A 20 -6.856 1.125 2.524 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.172 2.946 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.353 1.892 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.623 3.476 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.610 -0.100 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.281 3.693 7.166 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.132 -1.145 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.802 2.649 9.328 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.234 0.228 9.456 1.00 0.00 H new ATOM 259 N VAL A 21 -7.627 5.003 3.168 1.00 0.00 N ATOM 260 CA VAL A 21 -7.470 6.177 2.317 1.00 0.00 C ATOM 261 C VAL A 21 -6.472 7.161 2.918 1.00 0.00 C ATOM 262 O VAL A 21 -6.397 7.318 4.136 1.00 0.00 O ATOM 263 CB VAL A 21 -8.814 6.895 2.098 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.119 7.826 3.262 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.801 7.660 0.783 1.00 0.00 C ATOM 0 H VAL A 21 -8.196 5.159 4.000 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.095 5.824 1.356 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.603 6.144 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.073 8.324 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.173 7.249 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.330 8.573 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.759 8.161 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.002 8.402 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.632 6.966 -0.040 1.00 0.00 H new ATOM 275 N ALA A 22 -5.708 7.821 2.054 1.00 0.00 N ATOM 276 CA ALA A 22 -4.716 8.793 2.499 1.00 0.00 C ATOM 277 C ALA A 22 -5.361 10.145 2.782 1.00 0.00 C ATOM 278 O ALA A 22 -6.108 10.673 1.958 1.00 0.00 O ATOM 279 CB ALA A 22 -3.616 8.938 1.458 1.00 0.00 C ATOM 0 H ALA A 22 -5.757 7.701 1.042 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.277 8.428 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.882 9.667 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.128 7.975 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.048 9.277 0.516 1.00 0.00 H new ATOM 285 N LEU A 23 -5.069 10.701 3.953 1.00 0.00 N ATOM 286 CA LEU A 23 -5.621 11.993 4.346 1.00 0.00 C ATOM 287 C LEU A 23 -4.670 13.126 3.976 1.00 0.00 C ATOM 288 O LEU A 23 -5.056 14.296 3.966 1.00 0.00 O ATOM 289 CB LEU A 23 -5.898 12.015 5.850 1.00 0.00 C ATOM 290 CG LEU A 23 -6.771 10.881 6.389 1.00 0.00 C ATOM 291 CD1 LEU A 23 -7.129 11.129 7.846 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.030 10.731 5.547 1.00 0.00 C ATOM 0 H LEU A 23 -4.453 10.277 4.647 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.558 12.139 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.943 11.992 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.376 12.963 6.097 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.204 9.952 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.750 10.312 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.217 11.186 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.677 12.068 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.639 9.920 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.599 11.660 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.754 10.506 4.517 1.00 0.00 H new ATOM 304 N PHE A 24 -3.426 12.773 3.669 1.00 0.00 N ATOM 305 CA PHE A 24 -2.420 13.760 3.297 1.00 0.00 C ATOM 306 C PHE A 24 -1.252 13.100 2.570 1.00 0.00 C ATOM 307 O PHE A 24 -0.797 12.023 2.956 1.00 0.00 O ATOM 308 CB PHE A 24 -1.913 14.496 4.538 1.00 0.00 C ATOM 309 CG PHE A 24 -2.991 14.795 5.541 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.325 13.869 6.516 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.670 16.002 5.508 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.317 14.142 7.439 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.663 16.280 6.428 1.00 0.00 C ATOM 314 CZ PHE A 24 -4.986 15.349 7.396 1.00 0.00 C ATOM 0 H PHE A 24 -3.091 11.810 3.671 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.885 14.479 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.140 13.895 5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.445 15.431 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.805 12.923 6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.420 16.734 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.569 13.411 8.194 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.186 17.224 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.760 15.565 8.118 1.00 0.00 H new ATOM 324 N ASP A 25 -0.774 13.752 1.517 1.00 0.00 N ATOM 325 CA ASP A 25 0.341 13.229 0.736 1.00 0.00 C ATOM 326 C ASP A 25 1.457 12.729 1.648 1.00 0.00 C ATOM 327 O ASP A 25 1.632 13.226 2.761 1.00 0.00 O ATOM 328 CB ASP A 25 0.881 14.306 -0.207 1.00 0.00 C ATOM 329 CG ASP A 25 -0.219 14.984 -1.001 1.00 0.00 C ATOM 330 OD1 ASP A 25 -0.986 15.767 -0.403 1.00 0.00 O ATOM 331 OD2 ASP A 25 -0.311 14.731 -2.220 1.00 0.00 O ATOM 0 H ASP A 25 -1.141 14.644 1.184 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.025 12.389 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.421 15.055 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.598 13.857 -0.895 1.00 0.00 H new ATOM 336 N TYR A 26 2.208 11.743 1.171 1.00 0.00 N ATOM 337 CA TYR A 26 3.304 11.173 1.945 1.00 0.00 C ATOM 338 C TYR A 26 4.540 10.973 1.073 1.00 0.00 C ATOM 339 O TYR A 26 4.521 10.193 0.120 1.00 0.00 O ATOM 340 CB TYR A 26 2.881 9.840 2.563 1.00 0.00 C ATOM 341 CG TYR A 26 3.981 9.158 3.344 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.963 9.899 3.990 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.037 7.773 3.438 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.971 9.280 4.704 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.040 7.145 4.152 1.00 0.00 C ATOM 346 CZ TYR A 26 6.005 7.903 4.782 1.00 0.00 C ATOM 347 OH TYR A 26 7.006 7.283 5.494 1.00 0.00 O ATOM 0 H TYR A 26 2.078 11.322 0.251 1.00 0.00 H new ATOM 0 HA TYR A 26 3.554 11.872 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.030 10.009 3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.543 9.173 1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.938 10.977 3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.284 7.177 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.728 9.871 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.068 6.067 4.216 1.00 0.00 H new ATOM 0 HH TYR A 26 6.612 6.750 6.216 1.00 0.00 H new ATOM 357 N ASP A 27 5.612 11.682 1.407 1.00 0.00 N ATOM 358 CA ASP A 27 6.859 11.582 0.657 1.00 0.00 C ATOM 359 C ASP A 27 7.996 11.103 1.554 1.00 0.00 C ATOM 360 O ASP A 27 8.640 11.886 2.252 1.00 0.00 O ATOM 361 CB ASP A 27 7.216 12.934 0.037 1.00 0.00 C ATOM 362 CG ASP A 27 6.297 13.307 -1.109 1.00 0.00 C ATOM 363 OD1 ASP A 27 6.417 12.692 -2.189 1.00 0.00 O ATOM 364 OD2 ASP A 27 5.458 14.214 -0.927 1.00 0.00 O ATOM 0 H ASP A 27 5.643 12.332 2.192 1.00 0.00 H new ATOM 0 HA ASP A 27 6.717 10.852 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.167 13.707 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.245 12.906 -0.321 1.00 0.00 H new ATOM 369 N PRO A 28 8.249 9.786 1.537 1.00 0.00 N ATOM 370 CA PRO A 28 9.309 9.173 2.343 1.00 0.00 C ATOM 371 C PRO A 28 10.702 9.547 1.850 1.00 0.00 C ATOM 372 O PRO A 28 11.707 9.197 2.472 1.00 0.00 O ATOM 373 CB PRO A 28 9.064 7.672 2.168 1.00 0.00 C ATOM 374 CG PRO A 28 8.360 7.553 0.861 1.00 0.00 C ATOM 375 CD PRO A 28 7.521 8.794 0.728 1.00 0.00 C ATOM 0 HA PRO A 28 9.277 9.506 3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.001 7.116 2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.459 7.272 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.072 7.474 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.739 6.657 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.433 9.110 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.509 8.637 1.100 1.00 0.00 H new ATOM 383 N LEU A 29 10.757 10.259 0.731 1.00 0.00 N ATOM 384 CA LEU A 29 12.029 10.682 0.154 1.00 0.00 C ATOM 385 C LEU A 29 12.453 12.039 0.706 1.00 0.00 C ATOM 386 O LEU A 29 13.635 12.387 0.689 1.00 0.00 O ATOM 387 CB LEU A 29 11.923 10.748 -1.371 1.00 0.00 C ATOM 388 CG LEU A 29 11.369 9.501 -2.060 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.314 9.704 -3.567 1.00 0.00 C ATOM 390 CD2 LEU A 29 12.213 8.282 -1.715 1.00 0.00 C ATOM 0 H LEU A 29 9.936 10.556 0.204 1.00 0.00 H new ATOM 0 HA LEU A 29 12.786 9.947 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.290 11.596 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.914 10.952 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 29 10.355 9.330 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.917 8.806 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.668 10.551 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.318 9.900 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.804 7.403 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.239 8.444 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.201 8.125 -0.636 1.00 0.00 H new ATOM 402 N THR A 30 11.482 12.802 1.197 1.00 0.00 N ATOM 403 CA THR A 30 11.754 14.121 1.755 1.00 0.00 C ATOM 404 C THR A 30 11.360 14.187 3.226 1.00 0.00 C ATOM 405 O THR A 30 12.115 14.690 4.058 1.00 0.00 O ATOM 406 CB THR A 30 11.004 15.223 0.983 1.00 0.00 C ATOM 407 OG1 THR A 30 9.592 14.995 1.053 1.00 0.00 O ATOM 408 CG2 THR A 30 11.445 15.262 -0.472 1.00 0.00 C ATOM 0 H THR A 30 10.499 12.529 1.220 1.00 0.00 H new ATOM 0 HA THR A 30 12.827 14.289 1.662 1.00 0.00 H new ATOM 0 HB THR A 30 11.240 16.183 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.122 15.701 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.901 16.048 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.515 15.465 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.235 14.301 -0.942 1.00 0.00 H new ATOM 416 N MET A 31 10.174 13.677 3.539 1.00 0.00 N ATOM 417 CA MET A 31 9.681 13.677 4.912 1.00 0.00 C ATOM 418 C MET A 31 10.593 12.855 5.817 1.00 0.00 C ATOM 419 O MET A 31 11.334 13.406 6.631 1.00 0.00 O ATOM 420 CB MET A 31 8.256 13.122 4.965 1.00 0.00 C ATOM 421 CG MET A 31 7.217 14.058 4.369 1.00 0.00 C ATOM 422 SD MET A 31 5.580 13.827 5.089 1.00 0.00 S ATOM 423 CE MET A 31 4.539 14.449 3.771 1.00 0.00 C ATOM 0 H MET A 31 9.536 13.259 2.862 1.00 0.00 H new ATOM 0 HA MET A 31 9.676 14.707 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.225 12.172 4.432 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.994 12.915 6.003 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.534 15.090 4.520 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.162 13.896 3.293 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.492 14.291 4.029 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.722 15.515 3.635 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.768 13.920 2.846 1.00 0.00 H new ATOM 433 N SER A 32 10.532 11.536 5.670 1.00 0.00 N ATOM 434 CA SER A 32 11.350 10.638 6.477 1.00 0.00 C ATOM 435 C SER A 32 12.760 11.196 6.651 1.00 0.00 C ATOM 436 O SER A 32 13.336 11.791 5.740 1.00 0.00 O ATOM 437 CB SER A 32 11.414 9.253 5.832 1.00 0.00 C ATOM 438 OG SER A 32 11.729 8.258 6.791 1.00 0.00 O ATOM 0 H SER A 32 9.925 11.065 4.999 1.00 0.00 H new ATOM 0 HA SER A 32 10.888 10.552 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.457 9.022 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.164 9.251 5.041 1.00 0.00 H new ATOM 0 HG SER A 32 10.913 7.780 7.047 1.00 0.00 H new ATOM 444 N PRO A 33 13.329 11.000 7.849 1.00 0.00 N ATOM 445 CA PRO A 33 14.678 11.475 8.172 1.00 0.00 C ATOM 446 C PRO A 33 15.759 10.703 7.423 1.00 0.00 C ATOM 447 O PRO A 33 16.665 11.295 6.837 1.00 0.00 O ATOM 448 CB PRO A 33 14.791 11.228 9.678 1.00 0.00 C ATOM 449 CG PRO A 33 13.835 10.119 9.952 1.00 0.00 C ATOM 450 CD PRO A 33 12.700 10.300 8.982 1.00 0.00 C ATOM 0 HA PRO A 33 14.822 12.517 7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.808 10.953 9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.534 12.122 10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.313 9.149 9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.478 10.157 10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.275 9.344 8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.889 10.885 9.416 1.00 0.00 H new ATOM 458 N ASN A 34 15.657 9.378 7.446 1.00 0.00 N ATOM 459 CA ASN A 34 16.626 8.525 6.769 1.00 0.00 C ATOM 460 C ASN A 34 16.086 8.048 5.424 1.00 0.00 C ATOM 461 O ASN A 34 15.043 7.398 5.341 1.00 0.00 O ATOM 462 CB ASN A 34 16.978 7.321 7.646 1.00 0.00 C ATOM 463 CG ASN A 34 17.965 6.386 6.975 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.771 6.807 6.145 1.00 0.00 O ATOM 465 ND2 ASN A 34 17.906 5.108 7.333 1.00 0.00 N ATOM 0 H ASN A 34 14.913 8.872 7.926 1.00 0.00 H new ATOM 0 HA ASN A 34 17.527 9.112 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.398 7.672 8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.068 6.772 7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.545 4.431 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.222 4.803 8.025 1.00 0.00 H new ATOM 472 N PRO A 35 16.810 8.377 4.345 1.00 0.00 N ATOM 473 CA PRO A 35 16.424 7.991 2.984 1.00 0.00 C ATOM 474 C PRO A 35 16.566 6.492 2.744 1.00 0.00 C ATOM 475 O PRO A 35 15.843 5.913 1.933 1.00 0.00 O ATOM 476 CB PRO A 35 17.405 8.769 2.103 1.00 0.00 C ATOM 477 CG PRO A 35 18.594 8.998 2.970 1.00 0.00 C ATOM 478 CD PRO A 35 18.064 9.150 4.369 1.00 0.00 C ATOM 0 HA PRO A 35 15.377 8.213 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.670 8.203 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.973 9.712 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.291 8.162 2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.137 9.891 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.763 8.759 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.887 10.196 4.620 1.00 0.00 H new ATOM 486 N ASP A 36 17.501 5.870 3.454 1.00 0.00 N ATOM 487 CA ASP A 36 17.736 4.437 3.319 1.00 0.00 C ATOM 488 C ASP A 36 16.547 3.639 3.845 1.00 0.00 C ATOM 489 O ASP A 36 16.190 2.601 3.289 1.00 0.00 O ATOM 490 CB ASP A 36 19.008 4.035 4.067 1.00 0.00 C ATOM 491 CG ASP A 36 19.155 2.531 4.192 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.453 1.878 3.171 1.00 0.00 O ATOM 493 OD2 ASP A 36 18.971 2.008 5.311 1.00 0.00 O ATOM 0 H ASP A 36 18.108 6.335 4.129 1.00 0.00 H new ATOM 0 HA ASP A 36 17.860 4.212 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.876 4.440 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.997 4.480 5.062 1.00 0.00 H new ATOM 498 N ALA A 37 15.940 4.131 4.919 1.00 0.00 N ATOM 499 CA ALA A 37 14.791 3.464 5.520 1.00 0.00 C ATOM 500 C ALA A 37 13.505 3.809 4.776 1.00 0.00 C ATOM 501 O ALA A 37 12.511 3.090 4.869 1.00 0.00 O ATOM 502 CB ALA A 37 14.670 3.842 6.989 1.00 0.00 C ATOM 0 H ALA A 37 16.224 4.989 5.391 1.00 0.00 H new ATOM 0 HA ALA A 37 14.947 2.388 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.808 3.337 7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.574 3.540 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.541 4.921 7.078 1.00 0.00 H new ATOM 508 N ALA A 38 13.532 4.914 4.038 1.00 0.00 N ATOM 509 CA ALA A 38 12.369 5.352 3.276 1.00 0.00 C ATOM 510 C ALA A 38 11.793 4.210 2.447 1.00 0.00 C ATOM 511 O ALA A 38 10.577 4.033 2.379 1.00 0.00 O ATOM 512 CB ALA A 38 12.738 6.525 2.379 1.00 0.00 C ATOM 0 H ALA A 38 14.346 5.522 3.952 1.00 0.00 H new ATOM 0 HA ALA A 38 11.603 5.675 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.861 6.842 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.095 7.353 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.523 6.221 1.687 1.00 0.00 H new ATOM 518 N GLU A 39 12.674 3.437 1.819 1.00 0.00 N ATOM 519 CA GLU A 39 12.251 2.312 0.993 1.00 0.00 C ATOM 520 C GLU A 39 11.184 1.485 1.706 1.00 0.00 C ATOM 521 O GLU A 39 10.220 1.035 1.090 1.00 0.00 O ATOM 522 CB GLU A 39 13.449 1.428 0.644 1.00 0.00 C ATOM 523 CG GLU A 39 14.344 2.014 -0.434 1.00 0.00 C ATOM 524 CD GLU A 39 15.581 1.173 -0.687 1.00 0.00 C ATOM 525 OE1 GLU A 39 16.529 1.254 0.122 1.00 0.00 O ATOM 526 OE2 GLU A 39 15.600 0.434 -1.693 1.00 0.00 O ATOM 0 H GLU A 39 13.684 3.569 1.867 1.00 0.00 H new ATOM 0 HA GLU A 39 11.823 2.710 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.041 1.260 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.087 0.454 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.777 2.107 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.647 3.020 -0.143 1.00 0.00 H new ATOM 533 N GLU A 40 11.368 1.290 3.008 1.00 0.00 N ATOM 534 CA GLU A 40 10.422 0.516 3.804 1.00 0.00 C ATOM 535 C GLU A 40 9.059 1.200 3.847 1.00 0.00 C ATOM 536 O GLU A 40 8.022 0.538 3.862 1.00 0.00 O ATOM 537 CB GLU A 40 10.955 0.326 5.226 1.00 0.00 C ATOM 538 CG GLU A 40 12.204 -0.535 5.299 1.00 0.00 C ATOM 539 CD GLU A 40 11.888 -2.015 5.398 1.00 0.00 C ATOM 540 OE1 GLU A 40 11.189 -2.534 4.502 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.340 -2.653 6.371 1.00 0.00 O ATOM 0 H GLU A 40 12.162 1.656 3.533 1.00 0.00 H new ATOM 0 HA GLU A 40 10.304 -0.460 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.172 1.303 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.176 -0.127 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.816 -0.356 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.797 -0.235 6.163 1.00 0.00 H new ATOM 548 N GLU A 41 9.070 2.529 3.867 1.00 0.00 N ATOM 549 CA GLU A 41 7.835 3.302 3.909 1.00 0.00 C ATOM 550 C GLU A 41 7.151 3.311 2.544 1.00 0.00 C ATOM 551 O GLU A 41 7.810 3.411 1.508 1.00 0.00 O ATOM 552 CB GLU A 41 8.120 4.737 4.358 1.00 0.00 C ATOM 553 CG GLU A 41 8.537 4.847 5.814 1.00 0.00 C ATOM 554 CD GLU A 41 9.298 6.126 6.108 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.773 6.768 5.149 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.417 6.484 7.299 1.00 0.00 O ATOM 0 H GLU A 41 9.920 3.092 3.855 1.00 0.00 H new ATOM 0 HA GLU A 41 7.166 2.830 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.907 5.156 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.228 5.343 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.650 4.803 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.158 3.991 6.076 1.00 0.00 H new ATOM 563 N LEU A 42 5.827 3.205 2.552 1.00 0.00 N ATOM 564 CA LEU A 42 5.053 3.200 1.315 1.00 0.00 C ATOM 565 C LEU A 42 4.444 4.573 1.049 1.00 0.00 C ATOM 566 O LEU A 42 3.533 5.021 1.745 1.00 0.00 O ATOM 567 CB LEU A 42 3.948 2.145 1.387 1.00 0.00 C ATOM 568 CG LEU A 42 3.546 1.503 0.058 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.403 0.521 0.264 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.158 2.571 -0.954 1.00 0.00 C ATOM 0 H LEU A 42 5.267 3.121 3.400 1.00 0.00 H new ATOM 0 HA LEU A 42 5.727 2.956 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.270 1.356 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.063 2.604 1.828 1.00 0.00 H new ATOM 0 HG LEU A 42 4.403 0.955 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.130 0.074 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.716 -0.262 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.542 1.046 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.875 2.096 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.316 3.147 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.005 3.236 -1.124 1.00 0.00 H new ATOM 582 N PRO A 43 4.957 5.257 0.015 1.00 0.00 N ATOM 583 CA PRO A 43 4.477 6.588 -0.369 1.00 0.00 C ATOM 584 C PRO A 43 3.074 6.548 -0.965 1.00 0.00 C ATOM 585 O PRO A 43 2.656 5.536 -1.529 1.00 0.00 O ATOM 586 CB PRO A 43 5.492 7.041 -1.422 1.00 0.00 C ATOM 587 CG PRO A 43 6.041 5.777 -1.988 1.00 0.00 C ATOM 588 CD PRO A 43 6.045 4.784 -0.858 1.00 0.00 C ATOM 0 HA PRO A 43 4.403 7.258 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.018 7.647 -2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.279 7.650 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.428 5.422 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.048 5.929 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.863 3.770 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.002 4.772 -0.337 1.00 0.00 H new ATOM 596 N PHE A 44 2.350 7.655 -0.837 1.00 0.00 N ATOM 597 CA PHE A 44 0.993 7.746 -1.363 1.00 0.00 C ATOM 598 C PHE A 44 0.492 9.187 -1.328 1.00 0.00 C ATOM 599 O PHE A 44 0.967 10.003 -0.539 1.00 0.00 O ATOM 600 CB PHE A 44 0.051 6.847 -0.560 1.00 0.00 C ATOM 601 CG PHE A 44 0.209 6.989 0.927 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.339 8.072 1.596 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.906 6.039 1.656 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.193 8.205 2.964 1.00 0.00 C ATOM 605 CE2 PHE A 44 1.055 6.166 3.025 1.00 0.00 C ATOM 606 CZ PHE A 44 0.503 7.250 3.679 1.00 0.00 C ATOM 0 H PHE A 44 2.680 8.501 -0.374 1.00 0.00 H new ATOM 0 HA PHE A 44 1.008 7.410 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.979 7.079 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.228 5.808 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.886 8.820 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.338 5.189 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.623 9.055 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.602 5.419 3.581 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.615 7.351 4.748 1.00 0.00 H new ATOM 616 N LYS A 45 -0.472 9.493 -2.191 1.00 0.00 N ATOM 617 CA LYS A 45 -1.039 10.834 -2.260 1.00 0.00 C ATOM 618 C LYS A 45 -2.403 10.884 -1.579 1.00 0.00 C ATOM 619 O LYS A 45 -3.019 9.848 -1.328 1.00 0.00 O ATOM 620 CB LYS A 45 -1.169 11.280 -3.719 1.00 0.00 C ATOM 621 CG LYS A 45 0.150 11.689 -4.349 1.00 0.00 C ATOM 622 CD LYS A 45 1.053 10.489 -4.583 1.00 0.00 C ATOM 623 CE LYS A 45 2.044 10.747 -5.707 1.00 0.00 C ATOM 624 NZ LYS A 45 2.987 11.850 -5.373 1.00 0.00 N ATOM 0 H LYS A 45 -0.876 8.830 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.366 11.513 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.604 10.468 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.864 12.118 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.039 12.193 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.656 12.406 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.594 10.255 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.445 9.617 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.608 9.836 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.502 10.997 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.667 11.972 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.454 12.733 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.499 11.616 -4.498 1.00 0.00 H new ATOM 638 N GLU A 46 -2.869 12.093 -1.284 1.00 0.00 N ATOM 639 CA GLU A 46 -4.160 12.276 -0.632 1.00 0.00 C ATOM 640 C GLU A 46 -5.288 11.712 -1.492 1.00 0.00 C ATOM 641 O GLU A 46 -5.356 11.969 -2.693 1.00 0.00 O ATOM 642 CB GLU A 46 -4.410 13.759 -0.353 1.00 0.00 C ATOM 643 CG GLU A 46 -5.390 14.009 0.781 1.00 0.00 C ATOM 644 CD GLU A 46 -6.139 15.318 0.628 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.487 16.346 0.352 1.00 0.00 O ATOM 646 OE2 GLU A 46 -7.378 15.314 0.785 1.00 0.00 O ATOM 0 H GLU A 46 -2.372 12.960 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.141 11.734 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.461 14.240 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.788 14.232 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.106 13.188 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.850 14.012 1.728 1.00 0.00 H new ATOM 653 N GLY A 47 -6.171 10.939 -0.866 1.00 0.00 N ATOM 654 CA GLY A 47 -7.284 10.350 -1.588 1.00 0.00 C ATOM 655 C GLY A 47 -6.896 9.074 -2.309 1.00 0.00 C ATOM 656 O GLY A 47 -7.669 8.546 -3.108 1.00 0.00 O ATOM 0 H GLY A 47 -6.135 10.710 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.094 10.138 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.666 11.071 -2.311 1.00 0.00 H new ATOM 660 N GLN A 48 -5.695 8.579 -2.028 1.00 0.00 N ATOM 661 CA GLN A 48 -5.206 7.358 -2.658 1.00 0.00 C ATOM 662 C GLN A 48 -5.622 6.128 -1.859 1.00 0.00 C ATOM 663 O GLN A 48 -5.686 6.167 -0.630 1.00 0.00 O ATOM 664 CB GLN A 48 -3.682 7.403 -2.791 1.00 0.00 C ATOM 665 CG GLN A 48 -3.086 6.138 -3.387 1.00 0.00 C ATOM 666 CD GLN A 48 -1.580 6.071 -3.227 1.00 0.00 C ATOM 667 OE1 GLN A 48 -1.098 5.007 -2.596 1.00 0.00 O flip ATOM 668 NE2 GLN A 48 -0.858 6.966 -3.666 1.00 0.00 N flip ATOM 0 H GLN A 48 -5.043 9.004 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.649 7.290 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.405 8.254 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.245 7.572 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.537 5.268 -2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.338 6.086 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.272 7.766 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.154 6.907 -3.551 1.00 0.00 H new ATOM 677 N ILE A 49 -5.905 5.038 -2.564 1.00 0.00 N ATOM 678 CA ILE A 49 -6.315 3.797 -1.920 1.00 0.00 C ATOM 679 C ILE A 49 -5.121 2.876 -1.691 1.00 0.00 C ATOM 680 O ILE A 49 -4.262 2.729 -2.561 1.00 0.00 O ATOM 681 CB ILE A 49 -7.372 3.051 -2.755 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.469 4.016 -3.209 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.967 1.903 -1.954 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.375 4.472 -2.087 1.00 0.00 C ATOM 0 H ILE A 49 -5.858 4.989 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.750 4.070 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.889 2.638 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.006 4.889 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.072 3.533 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.712 1.386 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.177 1.205 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.439 2.294 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.128 5.154 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.866 3.607 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.784 4.985 -1.328 1.00 0.00 H new ATOM 696 N ILE A 50 -5.075 2.257 -0.516 1.00 0.00 N ATOM 697 CA ILE A 50 -3.988 1.348 -0.175 1.00 0.00 C ATOM 698 C ILE A 50 -4.524 0.049 0.420 1.00 0.00 C ATOM 699 O ILE A 50 -5.322 0.065 1.357 1.00 0.00 O ATOM 700 CB ILE A 50 -3.009 1.991 0.825 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.497 3.327 0.283 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.848 1.050 1.110 1.00 0.00 C ATOM 703 CD1 ILE A 50 -2.079 4.298 1.365 1.00 0.00 C ATOM 0 H ILE A 50 -5.777 2.368 0.215 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.457 1.129 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.538 2.177 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.648 3.141 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.277 3.786 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.165 1.519 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.229 0.121 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.317 0.835 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.727 5.223 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.931 4.513 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.277 3.859 1.958 1.00 0.00 H new ATOM 715 N LYS A 51 -4.077 -1.075 -0.130 1.00 0.00 N ATOM 716 CA LYS A 51 -4.508 -2.384 0.347 1.00 0.00 C ATOM 717 C LYS A 51 -3.726 -2.795 1.590 1.00 0.00 C ATOM 718 O LYS A 51 -2.685 -3.445 1.495 1.00 0.00 O ATOM 719 CB LYS A 51 -4.328 -3.434 -0.752 1.00 0.00 C ATOM 720 CG LYS A 51 -5.386 -3.363 -1.840 1.00 0.00 C ATOM 721 CD LYS A 51 -5.244 -4.506 -2.831 1.00 0.00 C ATOM 722 CE LYS A 51 -6.352 -4.482 -3.872 1.00 0.00 C ATOM 723 NZ LYS A 51 -5.987 -3.651 -5.052 1.00 0.00 N ATOM 0 H LYS A 51 -3.416 -1.106 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.564 -2.318 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.344 -3.309 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.348 -4.426 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.377 -3.394 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.305 -2.412 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.276 -4.441 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.265 -5.456 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.567 -5.500 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.265 -4.092 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.768 -3.660 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.807 -2.674 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.130 -4.038 -5.497 1.00 0.00 H new ATOM 737 N VAL A 52 -4.234 -2.411 2.757 1.00 0.00 N ATOM 738 CA VAL A 52 -3.584 -2.742 4.020 1.00 0.00 C ATOM 739 C VAL A 52 -3.787 -4.211 4.374 1.00 0.00 C ATOM 740 O VAL A 52 -4.762 -4.833 3.951 1.00 0.00 O ATOM 741 CB VAL A 52 -4.118 -1.869 5.171 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.727 -2.462 6.516 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.606 -0.443 5.039 1.00 0.00 C ATOM 0 H VAL A 52 -5.094 -1.870 2.854 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.520 -2.547 3.889 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.206 -1.847 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.113 -1.832 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.147 -3.464 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.641 -2.516 6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.993 0.160 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.516 -0.443 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.941 -0.022 4.091 1.00 0.00 H new ATOM 753 N TYR A 53 -2.862 -4.759 5.153 1.00 0.00 N ATOM 754 CA TYR A 53 -2.938 -6.156 5.563 1.00 0.00 C ATOM 755 C TYR A 53 -2.468 -6.327 7.005 1.00 0.00 C ATOM 756 O TYR A 53 -1.986 -5.383 7.629 1.00 0.00 O ATOM 757 CB TYR A 53 -2.093 -7.029 4.634 1.00 0.00 C ATOM 758 CG TYR A 53 -2.582 -7.040 3.203 1.00 0.00 C ATOM 759 CD1 TYR A 53 -2.119 -6.107 2.283 1.00 0.00 C ATOM 760 CD2 TYR A 53 -3.508 -7.981 2.771 1.00 0.00 C ATOM 761 CE1 TYR A 53 -2.563 -6.112 0.975 1.00 0.00 C ATOM 762 CE2 TYR A 53 -3.957 -7.994 1.465 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.482 -7.058 0.571 1.00 0.00 C ATOM 764 OH TYR A 53 -3.927 -7.067 -0.731 1.00 0.00 O ATOM 0 H TYR A 53 -2.050 -4.257 5.513 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.980 -6.470 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.062 -6.675 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.087 -8.050 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.399 -5.365 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.883 -8.715 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.193 -5.380 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.676 -8.733 1.146 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.570 -7.797 -0.852 1.00 0.00 H new ATOM 774 N GLY A 54 -2.614 -7.541 7.528 1.00 0.00 N ATOM 775 CA GLY A 54 -2.200 -7.816 8.892 1.00 0.00 C ATOM 776 C GLY A 54 -2.632 -6.731 9.858 1.00 0.00 C ATOM 777 O GLY A 54 -3.774 -6.271 9.816 1.00 0.00 O ATOM 0 H GLY A 54 -3.011 -8.339 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.620 -8.770 9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.115 -7.918 8.926 1.00 0.00 H new ATOM 781 N ASP A 55 -1.720 -6.322 10.732 1.00 0.00 N ATOM 782 CA ASP A 55 -2.012 -5.284 11.714 1.00 0.00 C ATOM 783 C ASP A 55 -0.811 -4.365 11.909 1.00 0.00 C ATOM 784 O ASP A 55 0.213 -4.513 11.240 1.00 0.00 O ATOM 785 CB ASP A 55 -2.409 -5.914 13.050 1.00 0.00 C ATOM 786 CG ASP A 55 -1.340 -6.842 13.593 1.00 0.00 C ATOM 787 OD1 ASP A 55 -0.153 -6.454 13.577 1.00 0.00 O ATOM 788 OD2 ASP A 55 -1.691 -7.956 14.036 1.00 0.00 O ATOM 0 H ASP A 55 -0.771 -6.693 10.781 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.844 -4.689 11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.604 -5.125 13.776 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.339 -6.469 12.925 1.00 0.00 H new ATOM 793 N LYS A 56 -0.942 -3.414 12.828 1.00 0.00 N ATOM 794 CA LYS A 56 0.132 -2.470 13.111 1.00 0.00 C ATOM 795 C LYS A 56 1.331 -3.180 13.731 1.00 0.00 C ATOM 796 O LYS A 56 1.181 -3.983 14.652 1.00 0.00 O ATOM 797 CB LYS A 56 -0.364 -1.369 14.051 1.00 0.00 C ATOM 798 CG LYS A 56 -0.947 -0.168 13.327 1.00 0.00 C ATOM 799 CD LYS A 56 -1.538 0.838 14.300 1.00 0.00 C ATOM 800 CE LYS A 56 -0.523 1.259 15.351 1.00 0.00 C ATOM 801 NZ LYS A 56 -1.089 2.258 16.300 1.00 0.00 N ATOM 0 H LYS A 56 -1.782 -3.277 13.390 1.00 0.00 H new ATOM 0 HA LYS A 56 0.445 -2.021 12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.121 -1.785 14.716 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.464 -1.038 14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.169 0.313 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.719 -0.500 12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.882 1.716 13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.411 0.404 14.788 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.188 0.382 15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.354 1.681 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.366 2.519 17.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.386 3.106 15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.911 1.847 16.787 1.00 0.00 H new ATOM 815 N ASP A 57 2.520 -2.878 13.221 1.00 0.00 N ATOM 816 CA ASP A 57 3.746 -3.486 13.727 1.00 0.00 C ATOM 817 C ASP A 57 4.215 -2.785 14.998 1.00 0.00 C ATOM 818 O ASP A 57 3.575 -1.849 15.475 1.00 0.00 O ATOM 819 CB ASP A 57 4.844 -3.430 12.664 1.00 0.00 C ATOM 820 CG ASP A 57 4.342 -3.831 11.291 1.00 0.00 C ATOM 821 OD1 ASP A 57 3.627 -3.024 10.662 1.00 0.00 O ATOM 822 OD2 ASP A 57 4.664 -4.953 10.846 1.00 0.00 O ATOM 0 H ASP A 57 2.661 -2.216 12.458 1.00 0.00 H new ATOM 0 HA ASP A 57 3.535 -4.528 13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.250 -2.419 12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.662 -4.089 12.955 1.00 0.00 H new ATOM 827 N ALA A 58 5.336 -3.247 15.542 1.00 0.00 N ATOM 828 CA ALA A 58 5.892 -2.664 16.758 1.00 0.00 C ATOM 829 C ALA A 58 6.026 -1.150 16.629 1.00 0.00 C ATOM 830 O ALA A 58 5.917 -0.422 17.616 1.00 0.00 O ATOM 831 CB ALA A 58 7.242 -3.290 17.074 1.00 0.00 C ATOM 0 H ALA A 58 5.877 -4.023 15.160 1.00 0.00 H new ATOM 0 HA ALA A 58 5.206 -2.873 17.579 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.645 -2.845 17.984 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.121 -4.364 17.218 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.929 -3.110 16.247 1.00 0.00 H new ATOM 837 N ASP A 59 6.263 -0.684 15.408 1.00 0.00 N ATOM 838 CA ASP A 59 6.411 0.744 15.151 1.00 0.00 C ATOM 839 C ASP A 59 5.049 1.412 14.993 1.00 0.00 C ATOM 840 O ASP A 59 4.889 2.597 15.286 1.00 0.00 O ATOM 841 CB ASP A 59 7.254 0.973 13.896 1.00 0.00 C ATOM 842 CG ASP A 59 7.883 2.352 13.864 1.00 0.00 C ATOM 843 OD1 ASP A 59 7.219 3.318 14.295 1.00 0.00 O ATOM 844 OD2 ASP A 59 9.041 2.465 13.410 1.00 0.00 O ATOM 0 H ASP A 59 6.357 -1.274 14.581 1.00 0.00 H new ATOM 0 HA ASP A 59 6.918 1.191 16.006 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.039 0.218 13.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.629 0.842 13.013 1.00 0.00 H new ATOM 849 N GLY A 60 4.069 0.644 14.526 1.00 0.00 N ATOM 850 CA GLY A 60 2.733 1.179 14.336 1.00 0.00 C ATOM 851 C GLY A 60 2.467 1.574 12.897 1.00 0.00 C ATOM 852 O GLY A 60 2.110 2.718 12.615 1.00 0.00 O ATOM 0 H GLY A 60 4.176 -0.339 14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.999 0.435 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.598 2.049 14.979 1.00 0.00 H new ATOM 856 N PHE A 61 2.642 0.625 11.983 1.00 0.00 N ATOM 857 CA PHE A 61 2.421 0.881 10.564 1.00 0.00 C ATOM 858 C PHE A 61 1.545 -0.206 9.946 1.00 0.00 C ATOM 859 O PHE A 61 1.644 -1.378 10.309 1.00 0.00 O ATOM 860 CB PHE A 61 3.757 0.957 9.823 1.00 0.00 C ATOM 861 CG PHE A 61 4.446 2.284 9.966 1.00 0.00 C ATOM 862 CD1 PHE A 61 5.153 2.593 11.116 1.00 0.00 C ATOM 863 CD2 PHE A 61 4.386 3.224 8.949 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.789 3.813 11.250 1.00 0.00 C ATOM 865 CE2 PHE A 61 5.019 4.445 9.077 1.00 0.00 C ATOM 866 CZ PHE A 61 5.721 4.741 10.229 1.00 0.00 C ATOM 0 H PHE A 61 2.936 -0.327 12.199 1.00 0.00 H new ATOM 0 HA PHE A 61 1.906 1.837 10.469 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.415 0.172 10.196 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.589 0.756 8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.208 1.872 11.918 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.838 2.999 8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.338 4.040 12.152 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.965 5.168 8.277 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.216 5.696 10.331 1.00 0.00 H new ATOM 876 N TYR A 62 0.689 0.193 9.012 1.00 0.00 N ATOM 877 CA TYR A 62 -0.206 -0.745 8.345 1.00 0.00 C ATOM 878 C TYR A 62 0.373 -1.193 7.006 1.00 0.00 C ATOM 879 O TYR A 62 0.164 -0.546 5.980 1.00 0.00 O ATOM 880 CB TYR A 62 -1.580 -0.108 8.132 1.00 0.00 C ATOM 881 CG TYR A 62 -2.453 -0.124 9.367 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.632 -1.290 10.100 1.00 0.00 C ATOM 883 CD2 TYR A 62 -3.098 1.028 9.800 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.429 -1.309 11.228 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.896 1.019 10.928 1.00 0.00 C ATOM 886 CZ TYR A 62 -4.059 -0.152 11.638 1.00 0.00 C ATOM 887 OH TYR A 62 -4.853 -0.167 12.762 1.00 0.00 O ATOM 0 H TYR A 62 0.596 1.160 8.700 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.314 -1.621 8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.446 0.923 7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.094 -0.633 7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.140 -2.197 9.783 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.973 1.946 9.245 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.558 -2.225 11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.389 1.924 11.252 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.222 0.728 12.914 1.00 0.00 H new ATOM 897 N ARG A 63 1.101 -2.304 7.026 1.00 0.00 N ATOM 898 CA ARG A 63 1.711 -2.839 5.815 1.00 0.00 C ATOM 899 C ARG A 63 0.664 -3.047 4.725 1.00 0.00 C ATOM 900 O ARG A 63 -0.054 -4.047 4.722 1.00 0.00 O ATOM 901 CB ARG A 63 2.419 -4.161 6.116 1.00 0.00 C ATOM 902 CG ARG A 63 3.602 -4.441 5.203 1.00 0.00 C ATOM 903 CD ARG A 63 3.968 -5.917 5.201 1.00 0.00 C ATOM 904 NE ARG A 63 3.238 -6.660 4.177 1.00 0.00 N ATOM 905 CZ ARG A 63 3.649 -7.821 3.679 1.00 0.00 C ATOM 906 NH1 ARG A 63 4.778 -8.368 4.108 1.00 0.00 N ATOM 907 NH2 ARG A 63 2.930 -8.437 2.749 1.00 0.00 N ATOM 0 H ARG A 63 1.283 -2.851 7.867 1.00 0.00 H new ATOM 0 HA ARG A 63 2.444 -2.116 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.763 -4.152 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.701 -4.976 6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.363 -4.123 4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.460 -3.853 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.039 -6.025 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.755 -6.345 6.181 1.00 0.00 H new ATOM 0 HE ARG A 63 2.365 -6.266 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.334 -7.897 4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.091 -9.260 3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.061 -8.019 2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.246 -9.328 2.367 1.00 0.00 H new ATOM 921 N GLY A 64 0.582 -2.096 3.800 1.00 0.00 N ATOM 922 CA GLY A 64 -0.381 -2.193 2.718 1.00 0.00 C ATOM 923 C GLY A 64 0.278 -2.185 1.353 1.00 0.00 C ATOM 924 O GLY A 64 1.482 -1.955 1.240 1.00 0.00 O ATOM 0 H GLY A 64 1.165 -1.260 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.961 -3.109 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.082 -1.361 2.784 1.00 0.00 H new ATOM 928 N GLU A 65 -0.512 -2.438 0.314 1.00 0.00 N ATOM 929 CA GLU A 65 0.004 -2.461 -1.049 1.00 0.00 C ATOM 930 C GLU A 65 -0.752 -1.473 -1.934 1.00 0.00 C ATOM 931 O GLU A 65 -1.981 -1.497 -2.002 1.00 0.00 O ATOM 932 CB GLU A 65 -0.102 -3.871 -1.635 1.00 0.00 C ATOM 933 CG GLU A 65 0.412 -3.978 -3.061 1.00 0.00 C ATOM 934 CD GLU A 65 0.206 -5.359 -3.652 1.00 0.00 C ATOM 935 OE1 GLU A 65 -0.777 -6.027 -3.270 1.00 0.00 O ATOM 936 OE2 GLU A 65 1.029 -5.772 -4.496 1.00 0.00 O ATOM 0 H GLU A 65 -1.511 -2.630 0.391 1.00 0.00 H new ATOM 0 HA GLU A 65 1.053 -2.166 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.458 -4.561 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.144 -4.189 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.096 -3.241 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.474 -3.733 -3.080 1.00 0.00 H new ATOM 943 N THR A 66 -0.007 -0.604 -2.610 1.00 0.00 N ATOM 944 CA THR A 66 -0.605 0.393 -3.489 1.00 0.00 C ATOM 945 C THR A 66 0.256 0.624 -4.725 1.00 0.00 C ATOM 946 O THR A 66 1.482 0.524 -4.666 1.00 0.00 O ATOM 947 CB THR A 66 -0.807 1.735 -2.760 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.392 2.693 -3.650 1.00 0.00 O ATOM 949 CG2 THR A 66 0.516 2.268 -2.231 1.00 0.00 C ATOM 0 H THR A 66 1.011 -0.571 -2.565 1.00 0.00 H new ATOM 0 HA THR A 66 -1.576 0.003 -3.794 1.00 0.00 H new ATOM 0 HB THR A 66 -1.476 1.568 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.975 3.568 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.348 3.216 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.944 1.550 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.205 2.420 -3.062 1.00 0.00 H new ATOM 957 N CYS A 67 -0.392 0.934 -5.842 1.00 0.00 N ATOM 958 CA CYS A 67 0.316 1.179 -7.094 1.00 0.00 C ATOM 959 C CYS A 67 1.377 0.111 -7.337 1.00 0.00 C ATOM 960 O CYS A 67 2.528 0.423 -7.643 1.00 0.00 O ATOM 961 CB CYS A 67 0.964 2.564 -7.074 1.00 0.00 C ATOM 962 SG CYS A 67 1.249 3.269 -8.715 1.00 0.00 S ATOM 0 H CYS A 67 -1.406 1.022 -5.907 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.409 1.136 -7.907 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.329 3.242 -6.504 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.916 2.500 -6.547 1.00 0.00 H new ATOM 0 HG CYS A 67 1.798 4.441 -8.594 1.00 0.00 H new ATOM 968 N ALA A 68 0.983 -1.150 -7.196 1.00 0.00 N ATOM 969 CA ALA A 68 1.900 -2.264 -7.401 1.00 0.00 C ATOM 970 C ALA A 68 3.145 -2.117 -6.532 1.00 0.00 C ATOM 971 O ALA A 68 4.228 -2.572 -6.901 1.00 0.00 O ATOM 972 CB ALA A 68 2.287 -2.367 -8.868 1.00 0.00 C ATOM 0 H ALA A 68 0.035 -1.426 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 68 1.389 -3.181 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.972 -3.203 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.393 -2.528 -9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.774 -1.444 -9.181 1.00 0.00 H new ATOM 978 N ARG A 69 2.983 -1.479 -5.378 1.00 0.00 N ATOM 979 CA ARG A 69 4.095 -1.270 -4.458 1.00 0.00 C ATOM 980 C ARG A 69 3.766 -1.820 -3.074 1.00 0.00 C ATOM 981 O ARG A 69 2.599 -1.907 -2.690 1.00 0.00 O ATOM 982 CB ARG A 69 4.431 0.219 -4.361 1.00 0.00 C ATOM 983 CG ARG A 69 5.888 0.494 -4.026 1.00 0.00 C ATOM 984 CD ARG A 69 6.303 1.894 -4.451 1.00 0.00 C ATOM 985 NE ARG A 69 7.731 2.126 -4.252 1.00 0.00 N ATOM 986 CZ ARG A 69 8.677 1.584 -5.011 1.00 0.00 C ATOM 987 NH1 ARG A 69 8.347 0.783 -6.015 1.00 0.00 N ATOM 988 NH2 ARG A 69 9.955 1.843 -4.767 1.00 0.00 N ATOM 0 H ARG A 69 2.093 -1.098 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 69 4.961 -1.806 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.188 0.700 -5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.799 0.677 -3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.044 0.377 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.522 -0.241 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.055 2.042 -5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.734 2.629 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 69 8.018 2.738 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.365 0.582 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.075 0.368 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.212 2.459 -3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.680 1.426 -5.351 1.00 0.00 H new ATOM 1002 N LEU A 70 4.802 -2.191 -2.329 1.00 0.00 N ATOM 1003 CA LEU A 70 4.623 -2.733 -0.986 1.00 0.00 C ATOM 1004 C LEU A 70 5.505 -2.000 0.019 1.00 0.00 C ATOM 1005 O LEU A 70 6.723 -1.933 -0.141 1.00 0.00 O ATOM 1006 CB LEU A 70 4.948 -4.228 -0.972 1.00 0.00 C ATOM 1007 CG LEU A 70 4.176 -5.073 0.043 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.716 -4.651 0.087 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.296 -6.552 -0.294 1.00 0.00 C ATOM 0 H LEU A 70 5.774 -2.127 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 70 3.581 -2.590 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.760 -4.630 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.014 -4.346 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 70 4.610 -4.909 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.182 -5.263 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.649 -3.602 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.269 -4.785 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.741 -7.138 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.888 -6.733 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.345 -6.846 -0.274 1.00 0.00 H new ATOM 1021 N GLY A 71 4.881 -1.452 1.057 1.00 0.00 N ATOM 1022 CA GLY A 71 5.624 -0.733 2.075 1.00 0.00 C ATOM 1023 C GLY A 71 4.825 -0.537 3.348 1.00 0.00 C ATOM 1024 O GLY A 71 3.804 -1.194 3.556 1.00 0.00 O ATOM 0 H GLY A 71 3.874 -1.493 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.539 -1.278 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.922 0.240 1.684 1.00 0.00 H new ATOM 1028 N LEU A 72 5.289 0.366 4.203 1.00 0.00 N ATOM 1029 CA LEU A 72 4.612 0.646 5.465 1.00 0.00 C ATOM 1030 C LEU A 72 3.764 1.909 5.359 1.00 0.00 C ATOM 1031 O LEU A 72 4.173 2.893 4.741 1.00 0.00 O ATOM 1032 CB LEU A 72 5.633 0.796 6.593 1.00 0.00 C ATOM 1033 CG LEU A 72 6.478 -0.441 6.903 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.505 -0.130 7.981 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.589 -1.600 7.329 1.00 0.00 C ATOM 0 H LEU A 72 6.132 0.918 4.046 1.00 0.00 H new ATOM 0 HA LEU A 72 3.954 -0.193 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.305 1.616 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.102 1.086 7.500 1.00 0.00 H new ATOM 0 HG LEU A 72 7.010 -0.731 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.097 -1.022 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.162 0.670 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.994 0.185 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.207 -2.472 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.030 -1.321 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.893 -1.839 6.525 1.00 0.00 H new ATOM 1047 N ILE A 73 2.583 1.876 5.968 1.00 0.00 N ATOM 1048 CA ILE A 73 1.680 3.020 5.945 1.00 0.00 C ATOM 1049 C ILE A 73 1.452 3.569 7.350 1.00 0.00 C ATOM 1050 O ILE A 73 1.120 2.837 8.282 1.00 0.00 O ATOM 1051 CB ILE A 73 0.321 2.652 5.323 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.457 2.486 3.808 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.718 3.713 5.653 1.00 0.00 C ATOM 1054 CD1 ILE A 73 0.971 1.125 3.393 1.00 0.00 C ATOM 0 H ILE A 73 2.230 1.070 6.483 1.00 0.00 H new ATOM 0 HA ILE A 73 2.156 3.785 5.331 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.010 1.703 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.514 2.656 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.131 3.252 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.673 3.438 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.831 3.787 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.395 4.675 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.042 1.079 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.956 0.960 3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.285 0.354 3.745 1.00 0.00 H new ATOM 1066 N PRO A 74 1.632 4.888 7.506 1.00 0.00 N ATOM 1067 CA PRO A 74 1.448 5.565 8.793 1.00 0.00 C ATOM 1068 C PRO A 74 -0.015 5.615 9.219 1.00 0.00 C ATOM 1069 O PRO A 74 -0.817 6.345 8.634 1.00 0.00 O ATOM 1070 CB PRO A 74 1.977 6.977 8.530 1.00 0.00 C ATOM 1071 CG PRO A 74 1.818 7.174 7.062 1.00 0.00 C ATOM 1072 CD PRO A 74 2.028 5.822 6.438 1.00 0.00 C ATOM 0 HA PRO A 74 1.961 5.046 9.603 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.414 7.722 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.020 7.071 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.828 7.563 6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.543 7.895 6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.417 5.693 5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.066 5.674 6.139 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.357 4.836 10.239 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.725 4.791 10.742 1.00 0.00 C ATOM 1082 C CYS A 75 -2.148 6.150 11.290 1.00 0.00 C ATOM 1083 O CYS A 75 -3.323 6.379 11.572 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.855 3.726 11.832 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.343 3.886 12.847 1.00 0.00 S ATOM 0 H CYS A 75 0.294 4.227 10.734 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.383 4.533 9.912 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.851 2.741 11.365 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.980 3.775 12.479 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.878 5.055 12.652 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.180 7.049 11.439 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.451 8.386 11.955 1.00 0.00 C ATOM 1093 C ASN A 76 -1.927 9.313 10.841 1.00 0.00 C ATOM 1094 O ASN A 76 -2.574 10.328 11.098 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.198 8.964 12.615 1.00 0.00 C ATOM 1096 CG ASN A 76 0.128 8.285 13.932 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -0.651 7.476 14.435 1.00 0.00 O ATOM 1098 ND2 ASN A 76 1.285 8.613 14.496 1.00 0.00 N ATOM 0 H ASN A 76 -0.201 6.876 11.210 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.242 8.307 12.700 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.648 8.859 11.936 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.340 10.031 12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.559 8.189 15.382 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.900 9.289 14.043 1.00 0.00 H new ATOM 1105 N MET A 77 -1.601 8.957 9.603 1.00 0.00 N ATOM 1106 CA MET A 77 -1.997 9.757 8.449 1.00 0.00 C ATOM 1107 C MET A 77 -3.288 9.224 7.835 1.00 0.00 C ATOM 1108 O MET A 77 -4.340 9.855 7.933 1.00 0.00 O ATOM 1109 CB MET A 77 -0.884 9.762 7.400 1.00 0.00 C ATOM 1110 CG MET A 77 0.450 10.260 7.931 1.00 0.00 C ATOM 1111 SD MET A 77 0.560 12.060 7.954 1.00 0.00 S ATOM 1112 CE MET A 77 1.181 12.382 6.305 1.00 0.00 C ATOM 0 H MET A 77 -1.064 8.121 9.373 1.00 0.00 H new ATOM 0 HA MET A 77 -2.172 10.778 8.788 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.757 8.751 7.012 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.189 10.389 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.600 9.878 8.941 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.255 9.858 7.315 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.302 13.456 6.165 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.144 11.888 6.176 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.475 11.998 5.569 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.200 8.058 7.202 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.361 7.440 6.573 1.00 0.00 C ATOM 1124 C VAL A 78 -5.481 7.218 7.584 1.00 0.00 C ATOM 1125 O VAL A 78 -5.338 7.539 8.764 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.996 6.092 5.924 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.893 6.277 4.893 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.582 5.084 6.985 1.00 0.00 C ATOM 0 H VAL A 78 -2.337 7.523 7.111 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.705 8.126 5.799 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.877 5.705 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.648 5.314 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.232 6.963 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.007 6.687 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.328 4.137 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.715 5.462 7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.406 4.929 7.681 1.00 0.00 H new ATOM 1138 N SER A 79 -6.594 6.667 7.114 1.00 0.00 N ATOM 1139 CA SER A 79 -7.741 6.404 7.976 1.00 0.00 C ATOM 1140 C SER A 79 -8.516 5.183 7.492 1.00 0.00 C ATOM 1141 O SER A 79 -8.376 4.760 6.345 1.00 0.00 O ATOM 1142 CB SER A 79 -8.664 7.624 8.018 1.00 0.00 C ATOM 1143 OG SER A 79 -9.364 7.691 9.248 1.00 0.00 O ATOM 0 H SER A 79 -6.727 6.393 6.140 1.00 0.00 H new ATOM 0 HA SER A 79 -7.370 6.202 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.078 8.532 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.375 7.575 7.193 1.00 0.00 H new ATOM 0 HG SER A 79 -9.946 8.480 9.251 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.334 4.620 8.377 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.131 3.446 8.041 1.00 0.00 C ATOM 1151 C GLU A 80 -11.437 3.851 7.362 1.00 0.00 C ATOM 1152 O GLU A 80 -12.228 4.612 7.920 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.430 2.628 9.299 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.146 1.318 9.017 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.238 0.428 10.241 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -10.413 0.602 11.163 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -12.133 -0.442 10.277 1.00 0.00 O ATOM 0 H GLU A 80 -9.462 4.958 9.331 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.555 2.834 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.494 2.417 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.039 3.227 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.150 1.529 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.622 0.785 8.224 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.654 3.338 6.156 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.863 3.645 5.402 1.00 0.00 C ATOM 1166 C ILE A 81 -14.080 2.956 6.010 1.00 0.00 C ATOM 1167 O ILE A 81 -13.990 1.827 6.491 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.730 3.220 3.928 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.529 3.913 3.281 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -14.007 3.541 3.167 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.352 3.573 1.817 1.00 0.00 C ATOM 0 H ILE A 81 -11.008 2.708 5.680 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.999 4.725 5.450 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.568 2.143 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.643 4.992 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.624 3.635 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.897 3.235 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.843 3.005 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.197 4.613 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.482 4.099 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.206 2.498 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.240 3.876 1.263 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.217 3.644 5.983 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.453 3.098 6.531 1.00 0.00 C ATOM 1185 C GLN A 82 -17.038 2.038 5.604 1.00 0.00 C ATOM 1186 O GLN A 82 -16.623 1.910 4.452 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.473 4.214 6.757 1.00 0.00 C ATOM 1188 CG GLN A 82 -18.012 4.816 5.469 1.00 0.00 C ATOM 1189 CD GLN A 82 -19.052 5.890 5.717 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -18.742 6.963 6.236 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -20.295 5.607 5.346 1.00 0.00 N ATOM 0 H GLN A 82 -15.308 4.580 5.588 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.220 2.630 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -18.305 3.821 7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -17.011 5.002 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.186 5.240 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -18.450 4.026 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -20.507 4.705 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -21.038 6.292 5.487 1.00 0.00 H new ATOM 1200 N ALA A 83 -18.003 1.280 6.113 1.00 0.00 N ATOM 1201 CA ALA A 83 -18.647 0.233 5.330 1.00 0.00 C ATOM 1202 C ALA A 83 -19.139 0.773 3.991 1.00 0.00 C ATOM 1203 O ALA A 83 -20.094 1.547 3.937 1.00 0.00 O ATOM 1204 CB ALA A 83 -19.800 -0.378 6.111 1.00 0.00 C ATOM 0 H ALA A 83 -18.356 1.372 7.065 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.908 -0.543 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.271 -1.158 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.423 -0.809 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -20.533 0.395 6.342 1.00 0.00 H new ATOM 1210 N ASP A 84 -18.481 0.360 2.914 1.00 0.00 N ATOM 1211 CA ASP A 84 -18.852 0.802 1.575 1.00 0.00 C ATOM 1212 C ASP A 84 -19.861 -0.156 0.947 1.00 0.00 C ATOM 1213 O ASP A 84 -19.644 -0.668 -0.152 1.00 0.00 O ATOM 1214 CB ASP A 84 -17.611 0.909 0.687 1.00 0.00 C ATOM 1215 CG ASP A 84 -16.612 1.922 1.210 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -17.046 2.931 1.803 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -15.396 1.707 1.024 1.00 0.00 O ATOM 0 H ASP A 84 -17.688 -0.280 2.942 1.00 0.00 H new ATOM 0 HA ASP A 84 -19.314 1.785 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.132 -0.068 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.913 1.188 -0.322 1.00 0.00 H new ATOM 1222 N ASP A 85 -20.961 -0.393 1.651 1.00 0.00 N ATOM 1223 CA ASP A 85 -22.003 -1.289 1.163 1.00 0.00 C ATOM 1224 C ASP A 85 -23.389 -0.726 1.463 1.00 0.00 C ATOM 1225 O ASP A 85 -23.519 0.317 2.103 1.00 0.00 O ATOM 1226 CB ASP A 85 -21.854 -2.673 1.796 1.00 0.00 C ATOM 1227 CG ASP A 85 -20.863 -3.546 1.052 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -21.248 -4.131 0.018 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -19.703 -3.646 1.504 1.00 0.00 O ATOM 0 H ASP A 85 -21.155 0.023 2.562 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.893 -1.379 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -21.531 -2.563 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.826 -3.167 1.816 1.00 0.00 H new ATOM 1234 N GLU A 86 -24.420 -1.423 0.996 1.00 0.00 N ATOM 1235 CA GLU A 86 -25.795 -0.990 1.214 1.00 0.00 C ATOM 1236 C GLU A 86 -26.413 -1.718 2.404 1.00 0.00 C ATOM 1237 O GLU A 86 -26.514 -2.944 2.410 1.00 0.00 O ATOM 1238 CB GLU A 86 -26.635 -1.237 -0.041 1.00 0.00 C ATOM 1239 CG GLU A 86 -26.467 -0.168 -1.107 1.00 0.00 C ATOM 1240 CD GLU A 86 -27.346 -0.409 -2.319 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -27.410 -1.564 -2.787 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -27.972 0.560 -2.799 1.00 0.00 O ATOM 0 H GLU A 86 -24.329 -2.289 0.465 1.00 0.00 H new ATOM 0 HA GLU A 86 -25.783 0.078 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -26.365 -2.205 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -27.686 -1.294 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -26.703 0.806 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -25.424 -0.134 -1.421 1.00 0.00 H new ATOM 1249 N GLU A 87 -26.823 -0.952 3.411 1.00 0.00 N ATOM 1250 CA GLU A 87 -27.429 -1.524 4.607 1.00 0.00 C ATOM 1251 C GLU A 87 -28.918 -1.197 4.673 1.00 0.00 C ATOM 1252 O GLU A 87 -29.310 -0.136 5.159 1.00 0.00 O ATOM 1253 CB GLU A 87 -26.725 -1.002 5.862 1.00 0.00 C ATOM 1254 CG GLU A 87 -26.911 -1.892 7.079 1.00 0.00 C ATOM 1255 CD GLU A 87 -26.466 -3.320 6.832 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -27.229 -4.079 6.199 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -25.353 -3.678 7.271 1.00 0.00 O ATOM 0 H GLU A 87 -26.746 0.065 3.422 1.00 0.00 H new ATOM 0 HA GLU A 87 -27.315 -2.607 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -25.659 -0.902 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -27.101 -0.005 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -26.347 -1.479 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -27.961 -1.888 7.370 1.00 0.00 H new ATOM 1264 N MET A 88 -29.742 -2.115 4.179 1.00 0.00 N ATOM 1265 CA MET A 88 -31.187 -1.925 4.182 1.00 0.00 C ATOM 1266 C MET A 88 -31.678 -1.511 5.566 1.00 0.00 C ATOM 1267 O MET A 88 -31.141 -1.949 6.582 1.00 0.00 O ATOM 1268 CB MET A 88 -31.893 -3.208 3.740 1.00 0.00 C ATOM 1269 CG MET A 88 -31.866 -4.308 4.789 1.00 0.00 C ATOM 1270 SD MET A 88 -32.117 -5.948 4.082 1.00 0.00 S ATOM 1271 CE MET A 88 -32.179 -6.950 5.566 1.00 0.00 C ATOM 0 H MET A 88 -29.433 -2.998 3.772 1.00 0.00 H new ATOM 0 HA MET A 88 -31.425 -1.128 3.478 1.00 0.00 H new ATOM 0 HB2 MET A 88 -32.929 -2.977 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 88 -31.424 -3.576 2.828 1.00 0.00 H new ATOM 0 HG2 MET A 88 -30.909 -4.284 5.311 1.00 0.00 H new ATOM 0 HG3 MET A 88 -32.639 -4.115 5.533 1.00 0.00 H new ATOM 0 HE1 MET A 88 -32.330 -7.995 5.294 1.00 0.00 H new ATOM 0 HE2 MET A 88 -31.241 -6.850 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 88 -33.003 -6.616 6.196 1.00 0.00 H new ATOM 1281 N MET A 89 -32.702 -0.663 5.596 1.00 0.00 N ATOM 1282 CA MET A 89 -33.265 -0.192 6.856 1.00 0.00 C ATOM 1283 C MET A 89 -34.379 -1.118 7.334 1.00 0.00 C ATOM 1284 O MET A 89 -34.723 -2.090 6.661 1.00 0.00 O ATOM 1285 CB MET A 89 -33.803 1.232 6.697 1.00 0.00 C ATOM 1286 CG MET A 89 -34.961 1.338 5.719 1.00 0.00 C ATOM 1287 SD MET A 89 -35.150 3.000 5.044 1.00 0.00 S ATOM 1288 CE MET A 89 -34.521 2.764 3.383 1.00 0.00 C ATOM 0 H MET A 89 -33.158 -0.289 4.764 1.00 0.00 H new ATOM 0 HA MET A 89 -32.471 -0.192 7.603 1.00 0.00 H new ATOM 0 HB2 MET A 89 -34.126 1.601 7.671 1.00 0.00 H new ATOM 0 HB3 MET A 89 -32.995 1.882 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 89 -34.807 0.633 4.902 1.00 0.00 H new ATOM 0 HG3 MET A 89 -35.884 1.047 6.221 1.00 0.00 H new ATOM 0 HE1 MET A 89 -34.572 3.706 2.837 1.00 0.00 H new ATOM 0 HE2 MET A 89 -33.485 2.428 3.431 1.00 0.00 H new ATOM 0 HE3 MET A 89 -35.122 2.014 2.869 1.00 0.00 H new ATOM 1298 N ASP A 90 -34.938 -0.811 8.500 1.00 0.00 N ATOM 1299 CA ASP A 90 -36.013 -1.616 9.068 1.00 0.00 C ATOM 1300 C ASP A 90 -36.960 -2.105 7.976 1.00 0.00 C ATOM 1301 O ASP A 90 -37.353 -1.341 7.095 1.00 0.00 O ATOM 1302 CB ASP A 90 -36.789 -0.807 10.109 1.00 0.00 C ATOM 1303 CG ASP A 90 -35.958 -0.500 11.339 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -35.155 -1.366 11.745 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -36.111 0.608 11.896 1.00 0.00 O ATOM 0 H ASP A 90 -34.664 -0.011 9.070 1.00 0.00 H new ATOM 0 HA ASP A 90 -35.567 -2.484 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -37.128 0.127 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -37.680 -1.361 10.405 1.00 0.00 H new ATOM 1310 N GLN A 91 -37.321 -3.382 8.042 1.00 0.00 N ATOM 1311 CA GLN A 91 -38.221 -3.973 7.058 1.00 0.00 C ATOM 1312 C GLN A 91 -39.481 -3.128 6.896 1.00 0.00 C ATOM 1313 O GLN A 91 -40.131 -2.771 7.878 1.00 0.00 O ATOM 1314 CB GLN A 91 -38.597 -5.397 7.471 1.00 0.00 C ATOM 1315 CG GLN A 91 -39.582 -5.456 8.627 1.00 0.00 C ATOM 1316 CD GLN A 91 -39.684 -6.840 9.237 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -38.687 -7.551 9.362 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -40.894 -7.230 9.621 1.00 0.00 N ATOM 0 H GLN A 91 -37.005 -4.027 8.766 1.00 0.00 H new ATOM 0 HA GLN A 91 -37.702 -4.005 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -39.026 -5.914 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -37.692 -5.937 7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -39.277 -4.746 9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -40.566 -5.144 8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -41.693 -6.608 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -41.024 -8.152 10.038 1.00 0.00 H new ATOM 1327 N SER A 92 -39.818 -2.812 5.650 1.00 0.00 N ATOM 1328 CA SER A 92 -40.998 -2.005 5.360 1.00 0.00 C ATOM 1329 C SER A 92 -42.274 -2.761 5.716 1.00 0.00 C ATOM 1330 O SER A 92 -42.274 -3.987 5.825 1.00 0.00 O ATOM 1331 CB SER A 92 -41.021 -1.612 3.881 1.00 0.00 C ATOM 1332 OG SER A 92 -40.887 -2.751 3.048 1.00 0.00 O ATOM 0 H SER A 92 -39.292 -3.102 4.826 1.00 0.00 H new ATOM 0 HA SER A 92 -40.949 -1.102 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 92 -41.955 -1.098 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 92 -40.213 -0.910 3.675 1.00 0.00 H new ATOM 0 HG SER A 92 -40.906 -2.473 2.108 1.00 0.00 H new ATOM 1338 N GLY A 93 -43.363 -2.020 5.898 1.00 0.00 N ATOM 1339 CA GLY A 93 -44.631 -2.636 6.241 1.00 0.00 C ATOM 1340 C GLY A 93 -45.098 -3.624 5.191 1.00 0.00 C ATOM 1341 O GLY A 93 -44.547 -3.703 4.093 1.00 0.00 O ATOM 0 H GLY A 93 -43.389 -1.004 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -44.536 -3.147 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -45.386 -1.860 6.367 1.00 0.00 H new ATOM 1345 N PRO A 94 -46.137 -4.404 5.527 1.00 0.00 N ATOM 1346 CA PRO A 94 -46.700 -5.407 4.619 1.00 0.00 C ATOM 1347 C PRO A 94 -47.429 -4.777 3.438 1.00 0.00 C ATOM 1348 O PRO A 94 -47.580 -3.557 3.369 1.00 0.00 O ATOM 1349 CB PRO A 94 -47.683 -6.176 5.506 1.00 0.00 C ATOM 1350 CG PRO A 94 -48.061 -5.212 6.577 1.00 0.00 C ATOM 1351 CD PRO A 94 -46.843 -4.364 6.819 1.00 0.00 C ATOM 0 HA PRO A 94 -45.927 -6.033 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -48.556 -6.501 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -47.222 -7.071 5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -48.908 -4.599 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -48.359 -5.735 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -47.112 -3.345 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -46.228 -4.764 7.625 1.00 0.00 H new ATOM 1359 N SER A 95 -47.879 -5.615 2.510 1.00 0.00 N ATOM 1360 CA SER A 95 -48.590 -5.139 1.329 1.00 0.00 C ATOM 1361 C SER A 95 -50.098 -5.290 1.505 1.00 0.00 C ATOM 1362 O SER A 95 -50.594 -6.379 1.792 1.00 0.00 O ATOM 1363 CB SER A 95 -48.130 -5.905 0.087 1.00 0.00 C ATOM 1364 OG SER A 95 -47.900 -7.271 0.387 1.00 0.00 O ATOM 0 H SER A 95 -47.764 -6.628 2.553 1.00 0.00 H new ATOM 0 HA SER A 95 -48.361 -4.081 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 95 -48.885 -5.823 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 95 -47.217 -5.456 -0.303 1.00 0.00 H new ATOM 0 HG SER A 95 -47.609 -7.739 -0.423 1.00 0.00 H new ATOM 1370 N SER A 96 -50.821 -4.189 1.330 1.00 0.00 N ATOM 1371 CA SER A 96 -52.273 -4.197 1.473 1.00 0.00 C ATOM 1372 C SER A 96 -52.894 -5.313 0.639 1.00 0.00 C ATOM 1373 O SER A 96 -52.432 -5.613 -0.461 1.00 0.00 O ATOM 1374 CB SER A 96 -52.855 -2.846 1.053 1.00 0.00 C ATOM 1375 OG SER A 96 -52.672 -1.874 2.068 1.00 0.00 O ATOM 0 H SER A 96 -50.426 -3.280 1.089 1.00 0.00 H new ATOM 0 HA SER A 96 -52.510 -4.376 2.522 1.00 0.00 H new ATOM 0 HB2 SER A 96 -52.376 -2.510 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 96 -53.918 -2.956 0.837 1.00 0.00 H new ATOM 0 HG SER A 96 -53.051 -1.019 1.774 1.00 0.00 H new ATOM 1381 N GLY A 97 -53.947 -5.925 1.173 1.00 0.00 N ATOM 1382 CA GLY A 97 -54.616 -7.002 0.465 1.00 0.00 C ATOM 1383 C GLY A 97 -55.968 -6.586 -0.079 1.00 0.00 C ATOM 1384 O GLY A 97 -56.119 -5.485 -0.609 1.00 0.00 O ATOM 0 H GLY A 97 -54.348 -5.695 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -53.985 -7.339 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -54.744 -7.850 1.137 1.00 0.00 H new TER 1388 GLY A 97