USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 507 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 16 HIS : no HE2:sc= -0.918 X(o=-3.6,f=-3.7) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 33 ASN : amide:sc= -2.72 X(o=-3.6,f=-4) USER MOD Set 2.1: A 14 CYS SG : rot 76:sc= 0.659! USER MOD Set 2.2: A 23 CYS SG : rot 61:sc= 1.51 USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.774 (180deg=0.377) USER MOD Single : A 2 SER OG : rot -152:sc= 0.555 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 139:sc= -0.316 (180deg=-0.785) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.202 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.813 USER MOD Single : A 9 MET CE :methyl -159:sc= -0.0788 (180deg=-1.02) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 77:sc= -1.11 USER MOD Single : A 27 SER OG : rot 140:sc= -0.0502 USER MOD Single : A 30 GLN : amide:sc= -0.239 K(o=-0.24,f=-2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= 0.0241 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 163:sc= -0.0625 (180deg=-0.45) USER MOD Single : A 70 THR OG1 : rot 93:sc= 0.889 USER MOD Single : A 71 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.834 10.553 4.191 1.00100.00 N ATOM 2 CA GLY A 1 -20.593 9.813 3.888 1.00100.00 C ATOM 3 C GLY A 1 -19.698 10.693 3.085 1.00100.00 C ATOM 4 O GLY A 1 -19.872 10.797 1.869 1.00100.00 O ATOM 0 H1 GLY A 1 -22.619 9.881 4.307 1.00100.00 H new ATOM 0 H2 GLY A 1 -21.709 11.095 5.070 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.049 11.205 3.410 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.098 9.511 4.811 1.00100.00 H new ATOM 0 HA3 GLY A 1 -20.822 8.901 3.336 1.00100.00 H new ATOM 10 N SER A 2 -18.573 11.106 3.720 1.00100.00 N ATOM 11 CA SER A 2 -17.566 11.974 3.152 1.00100.00 C ATOM 12 C SER A 2 -18.174 13.260 2.629 1.00100.00 C ATOM 13 O SER A 2 -17.963 13.640 1.477 1.00100.00 O ATOM 14 CB SER A 2 -16.683 11.268 2.081 1.00100.00 C ATOM 15 OG SER A 2 -15.582 12.085 1.752 1.00100.00 O ATOM 0 H SER A 2 -18.354 10.822 4.675 1.00100.00 H new ATOM 0 HA SER A 2 -16.890 12.235 3.967 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.334 10.308 2.461 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.274 11.062 1.188 1.00100.00 H new ATOM 0 HG SER A 2 -15.302 11.901 0.831 1.00100.00 H new ATOM 21 N THR A 3 -18.970 13.945 3.500 1.00100.00 N ATOM 22 CA THR A 3 -19.692 15.186 3.262 1.00100.00 C ATOM 23 C THR A 3 -20.890 14.933 2.380 1.00100.00 C ATOM 24 O THR A 3 -22.016 15.249 2.767 1.00100.00 O ATOM 25 CB THR A 3 -18.829 16.331 2.735 1.00100.00 C ATOM 26 OG1 THR A 3 -17.760 16.558 3.627 1.00100.00 O ATOM 27 CG2 THR A 3 -19.655 17.610 2.606 1.00100.00 C ATOM 0 H THR A 3 -19.121 13.602 4.449 1.00100.00 H new ATOM 0 HA THR A 3 -20.032 15.531 4.238 1.00100.00 H new ATOM 0 HB THR A 3 -18.446 16.057 1.752 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.203 17.291 3.291 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.023 18.415 2.229 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.480 17.442 1.914 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.052 17.887 3.583 1.00100.00 H new ATOM 35 N ALA A 4 -20.676 14.316 1.196 1.00100.00 N ATOM 36 CA ALA A 4 -21.701 13.978 0.247 1.00100.00 C ATOM 37 C ALA A 4 -22.509 12.833 0.784 1.00100.00 C ATOM 38 O ALA A 4 -22.162 12.211 1.788 1.00100.00 O ATOM 39 CB ALA A 4 -21.138 13.548 -1.120 1.00100.00 C ATOM 0 H ALA A 4 -19.744 14.040 0.887 1.00100.00 H new ATOM 0 HA ALA A 4 -22.302 14.876 0.102 1.00100.00 H new ATOM 0 HB1 ALA A 4 -21.961 13.306 -1.793 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.551 14.362 -1.544 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.503 12.671 -0.993 1.00100.00 H new ATOM 45 N MET A 5 -23.664 12.562 0.145 1.00100.00 N ATOM 46 CA MET A 5 -24.524 11.492 0.560 1.00100.00 C ATOM 47 C MET A 5 -24.004 10.236 -0.088 1.00100.00 C ATOM 48 O MET A 5 -24.259 10.036 -1.275 1.00100.00 O ATOM 49 CB MET A 5 -25.989 11.700 0.116 1.00100.00 C ATOM 50 CG MET A 5 -26.628 12.899 0.820 1.00100.00 C ATOM 51 SD MET A 5 -25.896 14.517 0.456 1.00100.00 S ATOM 52 CE MET A 5 -26.092 14.544 -1.344 1.00100.00 C ATOM 0 H MET A 5 -24.004 13.086 -0.662 1.00100.00 H new ATOM 0 HA MET A 5 -24.520 11.442 1.649 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.025 11.850 -0.963 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.566 10.801 0.332 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.684 12.932 0.552 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.577 12.733 1.896 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.404 15.539 -1.661 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.143 14.293 -1.817 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.848 13.816 -1.639 1.00100.00 H new ATOM 62 N ALA A 6 -22.874 9.739 0.484 1.00100.00 N ATOM 63 CA ALA A 6 -22.147 8.546 0.108 1.00100.00 C ATOM 64 C ALA A 6 -21.794 8.477 -1.362 1.00100.00 C ATOM 65 O ALA A 6 -21.869 7.423 -1.998 1.00100.00 O ATOM 66 CB ALA A 6 -22.854 7.254 0.580 1.00100.00 C ATOM 0 H ALA A 6 -22.435 10.212 1.274 1.00100.00 H new ATOM 0 HA ALA A 6 -21.198 8.620 0.639 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.269 6.387 0.274 1.00100.00 H new ATOM 0 HB2 ALA A 6 -22.945 7.265 1.666 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.847 7.199 0.133 1.00100.00 H new ATOM 72 N THR A 7 -21.402 9.650 -1.916 1.00100.00 N ATOM 73 CA THR A 7 -21.005 9.887 -3.286 1.00100.00 C ATOM 74 C THR A 7 -21.985 9.433 -4.350 1.00100.00 C ATOM 75 O THR A 7 -21.604 8.986 -5.433 1.00100.00 O ATOM 76 CB THR A 7 -19.582 9.458 -3.595 1.00100.00 C ATOM 77 OG1 THR A 7 -19.408 8.077 -3.363 1.00100.00 O ATOM 78 CG2 THR A 7 -18.672 10.272 -2.674 1.00100.00 C ATOM 0 H THR A 7 -21.359 10.504 -1.360 1.00100.00 H new ATOM 0 HA THR A 7 -21.029 10.975 -3.347 1.00100.00 H new ATOM 0 HB THR A 7 -19.345 9.635 -4.644 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.663 7.745 -3.907 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.632 10.000 -2.857 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.810 11.335 -2.873 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.924 10.062 -1.635 1.00100.00 H new ATOM 86 N THR A 8 -23.294 9.584 -4.054 1.00100.00 N ATOM 87 CA THR A 8 -24.387 9.232 -4.928 1.00100.00 C ATOM 88 C THR A 8 -24.425 10.102 -6.168 1.00100.00 C ATOM 89 O THR A 8 -24.645 9.593 -7.268 1.00100.00 O ATOM 90 CB THR A 8 -25.724 9.286 -4.202 1.00100.00 C ATOM 91 OG1 THR A 8 -25.695 8.392 -3.112 1.00100.00 O ATOM 92 CG2 THR A 8 -26.866 8.890 -5.137 1.00100.00 C ATOM 0 H THR A 8 -23.609 9.970 -3.164 1.00100.00 H new ATOM 0 HA THR A 8 -24.211 8.204 -5.246 1.00100.00 H new ATOM 0 HB THR A 8 -25.890 10.306 -3.855 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.220 8.806 -2.362 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.811 8.936 -4.596 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.898 9.576 -5.983 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.704 7.875 -5.499 1.00100.00 H new ATOM 100 N MET A 9 -24.134 11.417 -6.009 1.00100.00 N ATOM 101 CA MET A 9 -24.204 12.408 -7.059 1.00100.00 C ATOM 102 C MET A 9 -23.320 12.116 -8.249 1.00100.00 C ATOM 103 O MET A 9 -23.823 12.142 -9.373 1.00100.00 O ATOM 104 CB MET A 9 -23.894 13.807 -6.480 1.00100.00 C ATOM 105 CG MET A 9 -24.148 14.918 -7.496 1.00100.00 C ATOM 106 SD MET A 9 -25.891 15.215 -7.886 1.00100.00 S ATOM 107 CE MET A 9 -25.981 14.402 -9.500 1.00100.00 C ATOM 0 H MET A 9 -23.838 11.806 -5.114 1.00100.00 H new ATOM 0 HA MET A 9 -25.224 12.376 -7.442 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.508 13.977 -5.596 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.854 13.843 -6.157 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.714 15.843 -7.117 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.621 14.673 -8.419 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.837 14.787 -10.054 1.00100.00 H new ATOM 0 HE2 MET A 9 -25.067 14.601 -10.059 1.00100.00 H new ATOM 0 HE3 MET A 9 -26.094 13.327 -9.360 1.00100.00 H new ATOM 117 N GLU A 10 -22.045 11.702 -8.026 1.00100.00 N ATOM 118 CA GLU A 10 -21.097 11.346 -9.068 1.00100.00 C ATOM 119 C GLU A 10 -20.851 12.403 -10.134 1.00100.00 C ATOM 120 O GLU A 10 -20.653 12.073 -11.308 1.00100.00 O ATOM 121 CB GLU A 10 -21.474 10.008 -9.779 1.00100.00 C ATOM 122 CG GLU A 10 -21.532 8.871 -8.761 1.00100.00 C ATOM 123 CD GLU A 10 -21.821 7.537 -9.439 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.700 7.525 -10.326 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.154 6.552 -9.054 1.00100.00 O ATOM 0 H GLU A 10 -21.657 11.611 -7.087 1.00100.00 H new ATOM 0 HA GLU A 10 -20.167 11.241 -8.510 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.438 10.111 -10.276 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.740 9.778 -10.551 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.585 8.811 -8.224 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.305 9.081 -8.021 1.00100.00 H new ATOM 132 N GLN A 11 -20.817 13.704 -9.758 1.00100.00 N ATOM 133 CA GLN A 11 -20.574 14.729 -10.752 1.00100.00 C ATOM 134 C GLN A 11 -19.209 15.361 -10.591 1.00100.00 C ATOM 135 O GLN A 11 -18.955 16.444 -11.123 1.00100.00 O ATOM 136 CB GLN A 11 -21.665 15.832 -10.869 1.00100.00 C ATOM 137 CG GLN A 11 -21.811 16.639 -9.586 1.00100.00 C ATOM 138 CD GLN A 11 -22.908 17.691 -9.701 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.420 17.953 -10.788 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.268 18.297 -8.567 1.00100.00 N ATOM 0 H GLN A 11 -20.952 14.042 -8.805 1.00100.00 H new ATOM 0 HA GLN A 11 -20.618 14.180 -11.693 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.414 16.503 -11.691 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.621 15.370 -11.116 1.00100.00 H new ATOM 0 HG2 GLN A 11 -22.037 15.967 -8.758 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.864 17.125 -9.353 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.814 18.046 -7.688 1.00100.00 H new ATOM 0 HE22 GLN A 11 -23.997 19.011 -8.579 1.00100.00 H new ATOM 149 N GLU A 12 -18.277 14.656 -9.899 1.00100.00 N ATOM 150 CA GLU A 12 -16.929 15.094 -9.622 1.00100.00 C ATOM 151 C GLU A 12 -16.842 16.422 -8.907 1.00100.00 C ATOM 152 O GLU A 12 -16.248 17.387 -9.395 1.00100.00 O ATOM 153 CB GLU A 12 -15.978 15.043 -10.847 1.00100.00 C ATOM 154 CG GLU A 12 -15.844 13.612 -11.365 1.00100.00 C ATOM 155 CD GLU A 12 -14.853 13.518 -12.519 1.00100.00 C ATOM 156 OE1 GLU A 12 -14.065 14.476 -12.686 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.897 12.481 -13.215 1.00100.00 O ATOM 0 H GLU A 12 -18.475 13.733 -9.513 1.00100.00 H new ATOM 0 HA GLU A 12 -16.566 14.344 -8.920 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.361 15.688 -11.638 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.997 15.428 -10.569 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.520 12.961 -10.553 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.819 13.251 -11.693 1.00100.00 H new ATOM 164 N ILE A 13 -17.497 16.489 -7.723 1.00100.00 N ATOM 165 CA ILE A 13 -17.486 17.689 -6.923 1.00100.00 C ATOM 166 C ILE A 13 -16.590 17.528 -5.724 1.00100.00 C ATOM 167 O ILE A 13 -16.683 16.562 -4.962 1.00100.00 O ATOM 168 CB ILE A 13 -18.846 18.215 -6.479 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.695 17.211 -5.684 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.567 18.721 -7.723 1.00100.00 C ATOM 171 CD1 ILE A 13 -20.035 15.919 -6.426 1.00100.00 C ATOM 0 H ILE A 13 -18.031 15.718 -7.322 1.00100.00 H new ATOM 0 HA ILE A 13 -17.097 18.447 -7.603 1.00100.00 H new ATOM 0 HB ILE A 13 -18.685 19.022 -5.765 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.164 16.956 -4.767 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.625 17.698 -5.389 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.548 19.106 -7.444 1.00100.00 H new ATOM 0 HG22 ILE A 13 -18.982 19.517 -8.184 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.688 17.902 -8.432 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.636 15.277 -5.782 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.598 16.155 -7.329 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.114 15.402 -6.697 1.00100.00 H new ATOM 183 N CYS A 14 -15.633 18.471 -5.609 1.00100.00 N ATOM 184 CA CYS A 14 -14.667 18.541 -4.542 1.00100.00 C ATOM 185 C CYS A 14 -14.066 19.919 -4.567 1.00100.00 C ATOM 186 O CYS A 14 -14.255 20.693 -5.510 1.00100.00 O ATOM 187 CB CYS A 14 -13.494 17.539 -4.664 1.00100.00 C ATOM 188 SG CYS A 14 -12.431 17.507 -3.198 1.00100.00 S ATOM 0 H CYS A 14 -15.525 19.222 -6.291 1.00100.00 H new ATOM 0 HA CYS A 14 -15.202 18.299 -3.624 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.894 16.540 -4.837 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.893 17.797 -5.536 1.00100.00 H new ATOM 0 HG CYS A 14 -13.025 16.851 -2.246 1.00100.00 H new ATOM 193 N ALA A 15 -13.305 20.239 -3.499 1.00100.00 N ATOM 194 CA ALA A 15 -12.608 21.480 -3.310 1.00100.00 C ATOM 195 C ALA A 15 -11.590 21.663 -4.410 1.00100.00 C ATOM 196 O ALA A 15 -11.415 22.781 -4.895 1.00100.00 O ATOM 197 CB ALA A 15 -11.885 21.519 -1.959 1.00100.00 C ATOM 0 H ALA A 15 -13.169 19.593 -2.722 1.00100.00 H new ATOM 0 HA ALA A 15 -13.346 22.282 -3.334 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.368 22.473 -1.850 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.611 21.406 -1.154 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.160 20.706 -1.911 1.00100.00 H new ATOM 203 N HIS A 16 -10.896 20.567 -4.822 1.00100.00 N ATOM 204 CA HIS A 16 -9.920 20.655 -5.870 1.00100.00 C ATOM 205 C HIS A 16 -10.613 20.355 -7.179 1.00100.00 C ATOM 206 O HIS A 16 -10.867 21.292 -7.936 1.00100.00 O ATOM 207 CB HIS A 16 -8.739 19.688 -5.638 1.00100.00 C ATOM 208 CG HIS A 16 -7.582 19.864 -6.578 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.622 20.848 -6.510 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.250 19.026 -7.607 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.732 20.601 -7.488 1.00100.00 C ATOM 212 NE2 HIS A 16 -6.070 19.502 -8.184 1.00100.00 N ATOM 0 H HIS A 16 -11.014 19.633 -4.429 1.00100.00 H new ATOM 0 HA HIS A 16 -9.496 21.659 -5.886 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.380 19.815 -4.616 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.105 18.665 -5.723 1.00100.00 H new ATOM 0 HD1 HIS A 16 -6.591 21.619 -5.843 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.802 18.152 -7.918 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.860 21.206 -7.688 1.00100.00 H new ATOM 220 N SER A 17 -10.955 19.063 -7.470 1.00100.00 N ATOM 221 CA SER A 17 -11.603 18.740 -8.720 1.00100.00 C ATOM 222 C SER A 17 -12.407 17.470 -8.731 1.00100.00 C ATOM 223 O SER A 17 -13.495 17.437 -9.307 1.00100.00 O ATOM 224 CB SER A 17 -10.604 18.642 -9.906 1.00100.00 C ATOM 225 OG SER A 17 -9.682 17.597 -9.680 1.00100.00 O ATOM 0 H SER A 17 -10.786 18.267 -6.855 1.00100.00 H new ATOM 0 HA SER A 17 -12.287 19.581 -8.836 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.146 18.464 -10.835 1.00100.00 H new ATOM 0 HB3 SER A 17 -10.073 19.587 -10.023 1.00100.00 H new ATOM 0 HG SER A 17 -9.058 17.543 -10.434 1.00100.00 H new ATOM 231 N MET A 18 -11.895 16.408 -8.067 1.00100.00 N ATOM 232 CA MET A 18 -12.485 15.088 -8.048 1.00100.00 C ATOM 233 C MET A 18 -13.647 14.890 -7.113 1.00100.00 C ATOM 234 O MET A 18 -14.428 15.823 -6.958 1.00100.00 O ATOM 235 CB MET A 18 -11.407 13.999 -7.849 1.00100.00 C ATOM 236 CG MET A 18 -10.322 14.123 -8.914 1.00100.00 C ATOM 237 SD MET A 18 -10.945 13.960 -10.606 1.00100.00 S ATOM 238 CE MET A 18 -9.412 14.324 -11.497 1.00100.00 C ATOM 0 H MET A 18 -11.036 16.468 -7.521 1.00100.00 H new ATOM 0 HA MET A 18 -12.932 14.985 -9.037 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.964 14.093 -6.857 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.865 13.011 -7.901 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.830 15.090 -8.809 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.564 13.359 -8.740 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.594 14.272 -12.570 1.00100.00 H new ATOM 0 HE2 MET A 18 -9.068 15.325 -11.235 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.650 13.595 -11.223 1.00100.00 H new ATOM 248 N THR A 19 -14.123 13.622 -7.032 1.00100.00 N ATOM 249 CA THR A 19 -15.236 13.213 -6.205 1.00100.00 C ATOM 250 C THR A 19 -14.863 13.223 -4.746 1.00100.00 C ATOM 251 O THR A 19 -13.681 13.249 -4.399 1.00100.00 O ATOM 252 CB THR A 19 -15.732 11.811 -6.527 1.00100.00 C ATOM 253 OG1 THR A 19 -14.691 10.883 -6.322 1.00100.00 O ATOM 254 CG2 THR A 19 -16.209 11.733 -7.976 1.00100.00 C ATOM 0 H THR A 19 -13.717 12.851 -7.563 1.00100.00 H new ATOM 0 HA THR A 19 -16.025 13.934 -6.416 1.00100.00 H new ATOM 0 HB THR A 19 -16.569 11.575 -5.869 1.00100.00 H new ATOM 0 HG1 THR A 19 -15.012 9.980 -6.528 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.560 10.724 -8.190 1.00100.00 H new ATOM 0 HG22 THR A 19 -17.024 12.441 -8.130 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.384 11.979 -8.644 1.00100.00 H new ATOM 262 N PHE A 20 -15.885 13.206 -3.851 1.00100.00 N ATOM 263 CA PHE A 20 -15.665 13.179 -2.422 1.00100.00 C ATOM 264 C PHE A 20 -14.943 11.940 -1.957 1.00100.00 C ATOM 265 O PHE A 20 -14.317 11.968 -0.895 1.00100.00 O ATOM 266 CB PHE A 20 -16.907 13.423 -1.550 1.00100.00 C ATOM 267 CG PHE A 20 -17.219 14.897 -1.455 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.410 15.718 -0.657 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.272 15.455 -2.191 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.661 17.095 -0.584 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.532 16.830 -2.108 1.00100.00 C ATOM 272 CZ PHE A 20 -17.724 17.650 -1.307 1.00100.00 C ATOM 0 H PHE A 20 -16.869 13.211 -4.119 1.00100.00 H new ATOM 0 HA PHE A 20 -15.019 14.044 -2.271 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.761 12.893 -1.971 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.741 13.018 -0.552 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.592 15.289 -0.098 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.883 14.826 -2.822 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.035 17.727 0.029 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.355 17.258 -2.661 1.00100.00 H new ATOM 0 HZ PHE A 20 -17.922 18.710 -1.248 1.00100.00 H new ATOM 282 N GLU A 21 -15.012 10.826 -2.731 1.00100.00 N ATOM 283 CA GLU A 21 -14.302 9.598 -2.432 1.00100.00 C ATOM 284 C GLU A 21 -12.818 9.893 -2.498 1.00100.00 C ATOM 285 O GLU A 21 -12.050 9.463 -1.636 1.00100.00 O ATOM 286 CB GLU A 21 -14.553 8.484 -3.467 1.00100.00 C ATOM 287 CG GLU A 21 -16.037 8.209 -3.685 1.00100.00 C ATOM 288 CD GLU A 21 -16.252 6.970 -4.545 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.458 6.789 -5.493 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.211 6.229 -4.240 1.00100.00 O ATOM 0 H GLU A 21 -15.572 10.775 -3.582 1.00100.00 H new ATOM 0 HA GLU A 21 -14.649 9.260 -1.456 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.096 8.765 -4.416 1.00100.00 H new ATOM 0 HB3 GLU A 21 -14.062 7.569 -3.136 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.529 8.075 -2.722 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.502 9.071 -4.163 1.00100.00 H new ATOM 297 N GLU A 22 -12.412 10.680 -3.526 1.00100.00 N ATOM 298 CA GLU A 22 -11.049 11.074 -3.768 1.00100.00 C ATOM 299 C GLU A 22 -10.732 12.429 -3.174 1.00100.00 C ATOM 300 O GLU A 22 -9.652 12.967 -3.423 1.00100.00 O ATOM 301 CB GLU A 22 -10.702 11.089 -5.278 1.00100.00 C ATOM 302 CG GLU A 22 -10.797 9.684 -5.873 1.00100.00 C ATOM 303 CD GLU A 22 -9.782 8.740 -5.240 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.655 9.208 -4.966 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.152 7.562 -5.043 1.00100.00 O ATOM 0 H GLU A 22 -13.063 11.056 -4.216 1.00100.00 H new ATOM 0 HA GLU A 22 -10.436 10.320 -3.274 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.382 11.758 -5.805 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.695 11.481 -5.420 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.803 9.292 -5.724 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.630 9.731 -6.949 1.00100.00 H new ATOM 312 N CYS A 23 -11.645 13.001 -2.341 1.00100.00 N ATOM 313 CA CYS A 23 -11.469 14.290 -1.712 1.00100.00 C ATOM 314 C CYS A 23 -10.244 14.323 -0.831 1.00100.00 C ATOM 315 O CYS A 23 -9.548 15.336 -0.919 1.00100.00 O ATOM 316 CB CYS A 23 -12.686 14.792 -0.902 1.00100.00 C ATOM 317 SG CYS A 23 -12.322 16.384 -0.119 1.00100.00 S ATOM 0 H CYS A 23 -12.529 12.552 -2.100 1.00100.00 H new ATOM 0 HA CYS A 23 -11.347 14.972 -2.553 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.550 14.893 -1.559 1.00100.00 H new ATOM 0 HB3 CYS A 23 -12.950 14.058 -0.140 1.00100.00 H new ATOM 0 HG CYS A 23 -12.058 17.268 -1.035 1.00100.00 H new ATOM 322 N PRO A 24 -9.909 13.291 0.022 1.00100.00 N ATOM 323 CA PRO A 24 -8.701 13.325 0.825 1.00100.00 C ATOM 324 C PRO A 24 -7.465 13.416 -0.036 1.00100.00 C ATOM 325 O PRO A 24 -6.527 14.109 0.363 1.00100.00 O ATOM 326 CB PRO A 24 -8.723 12.069 1.688 1.00100.00 C ATOM 327 CG PRO A 24 -10.203 11.679 1.706 1.00100.00 C ATOM 328 CD PRO A 24 -10.711 12.130 0.337 1.00100.00 C ATOM 0 HA PRO A 24 -8.669 14.214 1.455 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.104 11.279 1.264 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.346 12.264 2.692 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.333 10.606 1.848 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.738 12.175 2.516 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.587 11.347 -0.411 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.772 12.376 0.368 1.00100.00 H new ATOM 336 N LYS A 25 -7.460 12.716 -1.202 1.00100.00 N ATOM 337 CA LYS A 25 -6.370 12.718 -2.147 1.00100.00 C ATOM 338 C LYS A 25 -6.188 14.103 -2.711 1.00100.00 C ATOM 339 O LYS A 25 -5.067 14.603 -2.770 1.00100.00 O ATOM 340 CB LYS A 25 -6.621 11.783 -3.347 1.00100.00 C ATOM 341 CG LYS A 25 -5.421 11.778 -4.296 1.00100.00 C ATOM 342 CD LYS A 25 -5.696 10.884 -5.503 1.00100.00 C ATOM 343 CE LYS A 25 -6.794 11.502 -6.367 1.00100.00 C ATOM 344 NZ LYS A 25 -7.072 10.667 -7.545 1.00100.00 N ATOM 0 H LYS A 25 -8.242 12.130 -1.494 1.00100.00 H new ATOM 0 HA LYS A 25 -5.492 12.375 -1.599 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.812 10.771 -2.991 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.513 12.106 -3.884 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.210 12.794 -4.629 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.535 11.425 -3.769 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.786 10.760 -6.090 1.00100.00 H new ATOM 0 HD3 LYS A 25 -5.998 9.891 -5.170 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.703 11.619 -5.777 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.492 12.499 -6.687 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.821 11.109 -8.115 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.209 10.577 -8.118 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.383 9.724 -7.236 1.00100.00 H new ATOM 358 N CYS A 26 -7.312 14.758 -3.093 1.00100.00 N ATOM 359 CA CYS A 26 -7.339 16.084 -3.657 1.00100.00 C ATOM 360 C CYS A 26 -6.802 17.088 -2.681 1.00100.00 C ATOM 361 O CYS A 26 -6.033 17.978 -3.061 1.00100.00 O ATOM 362 CB CYS A 26 -8.761 16.505 -4.054 1.00100.00 C ATOM 363 SG CYS A 26 -9.281 15.595 -5.527 1.00100.00 S ATOM 0 H CYS A 26 -8.241 14.345 -3.005 1.00100.00 H new ATOM 0 HA CYS A 26 -6.713 16.057 -4.549 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.450 16.310 -3.233 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.792 17.577 -4.248 1.00100.00 H new ATOM 0 HG CYS A 26 -9.608 14.382 -5.194 1.00100.00 H new ATOM 369 N SER A 27 -7.198 16.938 -1.394 1.00100.00 N ATOM 370 CA SER A 27 -6.775 17.792 -0.327 1.00100.00 C ATOM 371 C SER A 27 -5.297 17.677 -0.129 1.00100.00 C ATOM 372 O SER A 27 -4.622 18.693 -0.013 1.00100.00 O ATOM 373 CB SER A 27 -7.468 17.482 0.998 1.00100.00 C ATOM 374 OG SER A 27 -7.124 18.460 1.952 1.00100.00 O ATOM 0 H SER A 27 -7.832 16.198 -1.093 1.00100.00 H new ATOM 0 HA SER A 27 -7.051 18.805 -0.621 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.549 17.460 0.858 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.172 16.494 1.352 1.00100.00 H new ATOM 0 HG SER A 27 -7.913 18.688 2.486 1.00100.00 H new ATOM 380 N ALA A 28 -4.769 16.435 -0.132 1.00100.00 N ATOM 381 CA ALA A 28 -3.369 16.161 0.039 1.00100.00 C ATOM 382 C ALA A 28 -2.538 16.726 -1.079 1.00100.00 C ATOM 383 O ALA A 28 -1.459 17.269 -0.839 1.00100.00 O ATOM 384 CB ALA A 28 -3.073 14.652 0.116 1.00100.00 C ATOM 0 H ALA A 28 -5.333 15.595 -0.257 1.00100.00 H new ATOM 0 HA ALA A 28 -3.103 16.640 0.981 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.002 14.497 0.245 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.607 14.219 0.962 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.401 14.170 -0.805 1.00100.00 H new ATOM 390 N LEU A 29 -3.055 16.622 -2.325 1.00100.00 N ATOM 391 CA LEU A 29 -2.382 17.070 -3.515 1.00100.00 C ATOM 392 C LEU A 29 -2.076 18.533 -3.538 1.00100.00 C ATOM 393 O LEU A 29 -0.923 18.885 -3.796 1.00100.00 O ATOM 394 CB LEU A 29 -3.210 16.818 -4.796 1.00100.00 C ATOM 395 CG LEU A 29 -2.689 15.628 -5.606 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.571 14.353 -4.773 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.660 15.379 -6.761 1.00100.00 C ATOM 0 H LEU A 29 -3.971 16.213 -2.510 1.00100.00 H new ATOM 0 HA LEU A 29 -1.460 16.488 -3.496 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.250 16.640 -4.523 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.192 17.713 -5.418 1.00100.00 H new ATOM 0 HG LEU A 29 -1.688 15.873 -5.962 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.197 13.543 -5.399 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.881 14.521 -3.946 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.551 14.084 -4.379 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.310 14.534 -7.355 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.650 15.158 -6.363 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.712 16.268 -7.390 1.00100.00 H new ATOM 409 N GLN A 30 -3.077 19.406 -3.244 1.00100.00 N ATOM 410 CA GLN A 30 -2.850 20.832 -3.290 1.00100.00 C ATOM 411 C GLN A 30 -2.722 21.528 -1.964 1.00100.00 C ATOM 412 O GLN A 30 -2.082 22.580 -1.894 1.00100.00 O ATOM 413 CB GLN A 30 -3.910 21.541 -4.180 1.00100.00 C ATOM 414 CG GLN A 30 -3.659 23.035 -4.382 1.00100.00 C ATOM 415 CD GLN A 30 -2.329 23.285 -5.082 1.00100.00 C ATOM 416 OE1 GLN A 30 -2.094 22.774 -6.174 1.00100.00 O ATOM 417 NE2 GLN A 30 -1.460 24.078 -4.452 1.00100.00 N ATOM 0 H GLN A 30 -4.023 19.131 -2.980 1.00100.00 H new ATOM 0 HA GLN A 30 -1.861 20.921 -3.739 1.00100.00 H new ATOM 0 HB2 GLN A 30 -3.935 21.053 -5.154 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.894 21.407 -3.731 1.00100.00 H new ATOM 0 HG2 GLN A 30 -4.469 23.465 -4.971 1.00100.00 H new ATOM 0 HG3 GLN A 30 -3.664 23.540 -3.416 1.00100.00 H new ATOM 0 HE21 GLN A 30 -1.700 24.480 -3.546 1.00100.00 H new ATOM 0 HE22 GLN A 30 -0.555 24.282 -4.877 1.00100.00 H new ATOM 426 N TYR A 31 -3.267 20.942 -0.877 1.00100.00 N ATOM 427 CA TYR A 31 -3.261 21.481 0.466 1.00100.00 C ATOM 428 C TYR A 31 -4.170 22.648 0.717 1.00100.00 C ATOM 429 O TYR A 31 -4.995 22.553 1.626 1.00100.00 O ATOM 430 CB TYR A 31 -1.878 21.819 1.087 1.00100.00 C ATOM 431 CG TYR A 31 -0.969 20.616 1.144 1.00100.00 C ATOM 432 CD1 TYR A 31 -1.136 19.669 2.165 1.00100.00 C ATOM 433 CD2 TYR A 31 0.016 20.431 0.165 1.00100.00 C ATOM 434 CE1 TYR A 31 -0.317 18.534 2.212 1.00100.00 C ATOM 435 CE2 TYR A 31 0.841 19.299 0.205 1.00100.00 C ATOM 436 CZ TYR A 31 0.677 18.344 1.230 1.00100.00 C ATOM 437 OH TYR A 31 1.475 17.239 1.269 1.00100.00 O ATOM 0 H TYR A 31 -3.740 20.040 -0.933 1.00100.00 H new ATOM 0 HA TYR A 31 -3.657 20.602 0.975 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.401 22.605 0.501 1.00100.00 H new ATOM 0 HB3 TYR A 31 -2.020 22.213 2.093 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.898 19.815 2.916 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.140 21.161 -0.621 1.00100.00 H new ATOM 0 HE1 TYR A 31 -0.446 17.806 2.999 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.602 19.158 -0.548 1.00100.00 H new ATOM 0 HH TYR A 31 2.105 17.264 0.519 1.00100.00 H new ATOM 447 N ARG A 32 -4.052 23.756 -0.064 1.00100.00 N ATOM 448 CA ARG A 32 -4.858 24.944 0.129 1.00100.00 C ATOM 449 C ARG A 32 -6.304 24.623 -0.128 1.00100.00 C ATOM 450 O ARG A 32 -7.115 24.683 0.794 1.00100.00 O ATOM 451 CB ARG A 32 -4.410 26.054 -0.848 1.00100.00 C ATOM 452 CG ARG A 32 -2.986 26.476 -0.498 1.00100.00 C ATOM 453 CD ARG A 32 -2.488 27.545 -1.463 1.00100.00 C ATOM 454 NE ARG A 32 -1.109 27.913 -1.141 1.00100.00 N ATOM 455 CZ ARG A 32 -0.357 28.722 -1.899 1.00100.00 C ATOM 456 NH1 ARG A 32 -0.856 29.264 -3.019 1.00100.00 N ATOM 457 NH2 ARG A 32 0.904 28.989 -1.533 1.00100.00 N ATOM 0 H ARG A 32 -3.391 23.828 -0.837 1.00100.00 H new ATOM 0 HA ARG A 32 -4.731 25.289 1.155 1.00100.00 H new ATOM 0 HB2 ARG A 32 -4.454 25.692 -1.875 1.00100.00 H new ATOM 0 HB3 ARG A 32 -5.083 26.909 -0.782 1.00100.00 H new ATOM 0 HG2 ARG A 32 -2.955 26.858 0.523 1.00100.00 H new ATOM 0 HG3 ARG A 32 -2.325 25.610 -0.535 1.00100.00 H new ATOM 0 HD2 ARG A 32 -2.544 27.176 -2.487 1.00100.00 H new ATOM 0 HD3 ARG A 32 -3.130 28.424 -1.406 1.00100.00 H new ATOM 0 HE ARG A 32 -0.696 27.531 -0.290 1.00100.00 H new ATOM 0 HH11 ARG A 32 -1.815 29.062 -3.300 1.00100.00 H new ATOM 0 HH12 ARG A 32 -0.276 29.879 -3.590 1.00100.00 H new ATOM 0 HH21 ARG A 32 1.286 28.577 -0.682 1.00100.00 H new ATOM 0 HH22 ARG A 32 1.482 29.604 -2.106 1.00100.00 H new ATOM 471 N ASN A 33 -6.633 24.223 -1.382 1.00100.00 N ATOM 472 CA ASN A 33 -7.949 23.815 -1.821 1.00100.00 C ATOM 473 C ASN A 33 -9.105 24.690 -1.405 1.00100.00 C ATOM 474 O ASN A 33 -10.126 24.195 -0.920 1.00100.00 O ATOM 475 CB ASN A 33 -8.224 22.311 -1.583 1.00100.00 C ATOM 476 CG ASN A 33 -7.257 21.511 -2.445 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.275 21.640 -3.666 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.398 20.708 -1.814 1.00100.00 N ATOM 0 H ASN A 33 -5.943 24.182 -2.132 1.00100.00 H new ATOM 0 HA ASN A 33 -7.899 23.976 -2.898 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.091 22.062 -0.530 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.255 22.067 -1.841 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.718 20.168 -2.349 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.422 20.634 -0.797 1.00100.00 H new ATOM 485 N GLY A 34 -8.960 26.026 -1.572 1.00100.00 N ATOM 486 CA GLY A 34 -10.004 26.953 -1.198 1.00100.00 C ATOM 487 C GLY A 34 -10.082 27.145 0.289 1.00100.00 C ATOM 488 O GLY A 34 -11.097 27.609 0.808 1.00100.00 O ATOM 0 H GLY A 34 -8.126 26.465 -1.963 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.824 27.915 -1.678 1.00100.00 H new ATOM 0 HA3 GLY A 34 -10.962 26.587 -1.567 1.00100.00 H new ATOM 492 N PHE A 35 -8.980 26.790 0.989 1.00100.00 N ATOM 493 CA PHE A 35 -8.798 26.861 2.408 1.00100.00 C ATOM 494 C PHE A 35 -9.838 26.112 3.194 1.00100.00 C ATOM 495 O PHE A 35 -10.336 26.569 4.225 1.00100.00 O ATOM 496 CB PHE A 35 -8.536 28.296 2.911 1.00100.00 C ATOM 497 CG PHE A 35 -7.300 28.876 2.265 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.032 28.513 2.741 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.418 29.716 1.150 1.00100.00 C ATOM 500 CE1 PHE A 35 -4.880 28.997 2.105 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.266 30.199 0.514 1.00100.00 C ATOM 502 CZ PHE A 35 -4.998 29.839 0.991 1.00100.00 C ATOM 0 H PHE A 35 -8.152 26.424 0.519 1.00100.00 H new ATOM 0 HA PHE A 35 -7.875 26.317 2.610 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.397 28.926 2.689 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.416 28.290 3.994 1.00100.00 H new ATOM 0 HD1 PHE A 35 -5.943 27.861 3.597 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.395 29.991 0.781 1.00100.00 H new ATOM 0 HE1 PHE A 35 -3.903 28.721 2.473 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.355 30.849 -0.344 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.111 30.211 0.500 1.00100.00 H new ATOM 512 N TYR A 36 -10.165 24.904 2.674 1.00100.00 N ATOM 513 CA TYR A 36 -11.082 23.944 3.242 1.00100.00 C ATOM 514 C TYR A 36 -10.543 23.524 4.590 1.00100.00 C ATOM 515 O TYR A 36 -11.289 23.483 5.570 1.00100.00 O ATOM 516 CB TYR A 36 -11.173 22.734 2.268 1.00100.00 C ATOM 517 CG TYR A 36 -11.862 21.519 2.839 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.189 21.604 3.285 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.169 20.302 2.914 1.00100.00 C ATOM 520 CE1 TYR A 36 -13.834 20.466 3.787 1.00100.00 C ATOM 521 CE2 TYR A 36 -11.805 19.162 3.418 1.00100.00 C ATOM 522 CZ TYR A 36 -13.144 19.237 3.851 1.00100.00 C ATOM 523 OH TYR A 36 -13.770 18.124 4.331 1.00100.00 O ATOM 0 H TYR A 36 -9.761 24.576 1.797 1.00100.00 H new ATOM 0 HA TYR A 36 -12.080 24.362 3.378 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.703 23.047 1.369 1.00100.00 H new ATOM 0 HB3 TYR A 36 -10.165 22.454 1.962 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.714 22.547 3.241 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.143 20.245 2.582 1.00100.00 H new ATOM 0 HE1 TYR A 36 -14.858 20.529 4.124 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.270 18.225 3.475 1.00100.00 H new ATOM 0 HH TYR A 36 -13.152 17.364 4.305 1.00100.00 H new ATOM 533 N LEU A 37 -9.220 23.236 4.652 1.00100.00 N ATOM 534 CA LEU A 37 -8.568 22.854 5.871 1.00100.00 C ATOM 535 C LEU A 37 -8.020 24.135 6.418 1.00100.00 C ATOM 536 O LEU A 37 -7.127 24.749 5.827 1.00100.00 O ATOM 537 CB LEU A 37 -7.356 21.911 5.690 1.00100.00 C ATOM 538 CG LEU A 37 -7.752 20.593 5.018 1.00100.00 C ATOM 539 CD1 LEU A 37 -6.502 19.726 4.878 1.00100.00 C ATOM 540 CD2 LEU A 37 -8.792 19.841 5.848 1.00100.00 C ATOM 0 H LEU A 37 -8.599 23.270 3.844 1.00100.00 H new ATOM 0 HA LEU A 37 -9.288 22.323 6.494 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.595 22.410 5.090 1.00100.00 H new ATOM 0 HB3 LEU A 37 -6.910 21.703 6.662 1.00100.00 H new ATOM 0 HG LEU A 37 -8.186 20.811 4.042 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.765 18.782 4.401 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.764 20.247 4.268 1.00100.00 H new ATOM 0 HD13 LEU A 37 -6.083 19.529 5.865 1.00100.00 H new ATOM 0 HD21 LEU A 37 -9.054 18.910 5.346 1.00100.00 H new ATOM 0 HD22 LEU A 37 -8.381 19.619 6.833 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.684 20.457 5.958 1.00100.00 H new ATOM 552 N LEU A 38 -8.576 24.549 7.576 1.00100.00 N ATOM 553 CA LEU A 38 -8.207 25.750 8.287 1.00100.00 C ATOM 554 C LEU A 38 -6.813 25.659 8.862 1.00100.00 C ATOM 555 O LEU A 38 -6.121 26.664 9.008 1.00100.00 O ATOM 556 CB LEU A 38 -9.156 26.065 9.459 1.00100.00 C ATOM 557 CG LEU A 38 -10.566 26.394 8.963 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.469 26.617 10.176 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.575 27.660 8.102 1.00100.00 C ATOM 0 H LEU A 38 -9.317 24.025 8.042 1.00100.00 H new ATOM 0 HA LEU A 38 -8.266 26.542 7.540 1.00100.00 H new ATOM 0 HB2 LEU A 38 -9.197 25.211 10.136 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.764 26.906 10.030 1.00100.00 H new ATOM 0 HG LEU A 38 -10.922 25.563 8.354 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.479 26.853 9.840 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.491 25.713 10.784 1.00100.00 H new ATOM 0 HD13 LEU A 38 -11.082 27.445 10.770 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.592 27.865 7.766 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.210 28.502 8.690 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.929 27.516 7.236 1.00100.00 H new ATOM 571 N LYS A 39 -6.371 24.410 9.126 1.00100.00 N ATOM 572 CA LYS A 39 -5.119 24.002 9.709 1.00100.00 C ATOM 573 C LYS A 39 -3.936 24.478 8.918 1.00100.00 C ATOM 574 O LYS A 39 -2.912 24.818 9.512 1.00100.00 O ATOM 575 CB LYS A 39 -5.005 22.467 9.727 1.00100.00 C ATOM 576 CG LYS A 39 -6.140 21.856 10.548 1.00100.00 C ATOM 577 CD LYS A 39 -6.029 20.334 10.527 1.00100.00 C ATOM 578 CE LYS A 39 -7.164 19.729 11.348 1.00100.00 C ATOM 579 NZ LYS A 39 -7.082 18.260 11.361 1.00100.00 N ATOM 0 H LYS A 39 -6.953 23.602 8.907 1.00100.00 H new ATOM 0 HA LYS A 39 -5.111 24.433 10.710 1.00100.00 H new ATOM 0 HB2 LYS A 39 -5.037 22.082 8.708 1.00100.00 H new ATOM 0 HB3 LYS A 39 -4.044 22.173 10.149 1.00100.00 H new ATOM 0 HG2 LYS A 39 -6.095 22.219 11.575 1.00100.00 H new ATOM 0 HG3 LYS A 39 -7.103 22.166 10.142 1.00100.00 H new ATOM 0 HD2 LYS A 39 -6.074 19.970 9.501 1.00100.00 H new ATOM 0 HD3 LYS A 39 -5.066 20.023 10.933 1.00100.00 H new ATOM 0 HE2 LYS A 39 -7.121 20.108 12.369 1.00100.00 H new ATOM 0 HE3 LYS A 39 -8.123 20.039 10.933 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.865 17.874 11.926 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -7.147 17.900 10.387 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -6.176 17.967 11.779 1.00100.00 H new ATOM 593 N TYR A 40 -4.052 24.505 7.570 1.00100.00 N ATOM 594 CA TYR A 40 -3.000 24.903 6.672 1.00100.00 C ATOM 595 C TYR A 40 -2.535 26.324 6.907 1.00100.00 C ATOM 596 O TYR A 40 -1.327 26.568 6.878 1.00100.00 O ATOM 597 CB TYR A 40 -3.466 24.737 5.197 1.00100.00 C ATOM 598 CG TYR A 40 -2.432 25.152 4.176 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.414 24.262 3.808 1.00100.00 C ATOM 600 CD2 TYR A 40 -2.499 26.426 3.595 1.00100.00 C ATOM 601 CE1 TYR A 40 -0.461 24.641 2.852 1.00100.00 C ATOM 602 CE2 TYR A 40 -1.549 26.815 2.643 1.00100.00 C ATOM 603 CZ TYR A 40 -0.526 25.920 2.264 1.00100.00 C ATOM 604 OH TYR A 40 0.394 26.292 1.328 1.00100.00 O ATOM 0 H TYR A 40 -4.911 24.240 7.088 1.00100.00 H new ATOM 0 HA TYR A 40 -2.150 24.250 6.870 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.732 23.694 5.026 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.370 25.326 5.044 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.363 23.283 4.261 1.00100.00 H new ATOM 0 HD2 TYR A 40 -3.285 27.109 3.882 1.00100.00 H new ATOM 0 HE1 TYR A 40 0.322 23.954 2.567 1.00100.00 H new ATOM 0 HE2 TYR A 40 -1.599 27.798 2.199 1.00100.00 H new ATOM 0 HH TYR A 40 0.700 25.501 0.837 1.00100.00 H new ATOM 614 N ASP A 41 -3.470 27.272 7.159 1.00100.00 N ATOM 615 CA ASP A 41 -3.135 28.659 7.357 1.00100.00 C ATOM 616 C ASP A 41 -2.392 28.829 8.663 1.00100.00 C ATOM 617 O ASP A 41 -2.777 28.291 9.703 1.00100.00 O ATOM 618 CB ASP A 41 -4.396 29.552 7.298 1.00100.00 C ATOM 619 CG ASP A 41 -4.053 31.034 7.315 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.866 31.583 6.208 1.00100.00 O ATOM 621 OD2 ASP A 41 -3.997 31.593 8.430 1.00100.00 O ATOM 0 H ASP A 41 -4.468 27.073 7.226 1.00100.00 H new ATOM 0 HA ASP A 41 -2.480 28.980 6.547 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.960 29.322 6.394 1.00100.00 H new ATOM 0 HB3 ASP A 41 -5.043 29.321 8.145 1.00100.00 H new ATOM 626 N GLU A 42 -1.284 29.600 8.598 1.00100.00 N ATOM 627 CA GLU A 42 -0.406 29.885 9.706 1.00100.00 C ATOM 628 C GLU A 42 -1.099 30.645 10.801 1.00100.00 C ATOM 629 O GLU A 42 -0.895 30.362 11.982 1.00100.00 O ATOM 630 CB GLU A 42 0.859 30.644 9.256 1.00100.00 C ATOM 631 CG GLU A 42 1.626 29.825 8.219 1.00100.00 C ATOM 632 CD GLU A 42 2.901 30.545 7.798 1.00100.00 C ATOM 633 OE1 GLU A 42 2.766 31.627 7.186 1.00100.00 O ATOM 634 OE2 GLU A 42 3.986 30.002 8.098 1.00100.00 O ATOM 0 H GLU A 42 -0.984 30.047 7.732 1.00100.00 H new ATOM 0 HA GLU A 42 -0.104 28.917 10.106 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.581 31.610 8.834 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.497 30.844 10.117 1.00100.00 H new ATOM 0 HG2 GLU A 42 1.874 28.847 8.632 1.00100.00 H new ATOM 0 HG3 GLU A 42 0.996 29.652 7.347 1.00100.00 H new ATOM 641 N GLU A 43 -1.964 31.608 10.421 1.00100.00 N ATOM 642 CA GLU A 43 -2.699 32.432 11.345 1.00100.00 C ATOM 643 C GLU A 43 -4.039 31.843 11.722 1.00100.00 C ATOM 644 O GLU A 43 -4.819 32.508 12.411 1.00100.00 O ATOM 645 CB GLU A 43 -2.927 33.864 10.804 1.00100.00 C ATOM 646 CG GLU A 43 -1.594 34.551 10.506 1.00100.00 C ATOM 647 CD GLU A 43 -0.737 34.667 11.760 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.284 35.129 12.784 1.00100.00 O ATOM 649 OE2 GLU A 43 0.453 34.293 11.671 1.00100.00 O ATOM 0 H GLU A 43 -2.160 31.822 9.443 1.00100.00 H new ATOM 0 HA GLU A 43 -2.071 32.476 12.235 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.531 33.823 9.897 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.487 34.448 11.534 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.054 33.987 9.745 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.778 35.544 10.096 1.00100.00 H new ATOM 656 N TRP A 44 -4.326 30.578 11.303 1.00100.00 N ATOM 657 CA TRP A 44 -5.549 29.844 11.549 1.00100.00 C ATOM 658 C TRP A 44 -6.690 30.328 10.711 1.00100.00 C ATOM 659 O TRP A 44 -7.311 29.489 10.057 1.00100.00 O ATOM 660 CB TRP A 44 -5.957 29.713 13.049 1.00100.00 C ATOM 661 CG TRP A 44 -7.202 28.920 13.280 1.00100.00 C ATOM 662 CD1 TRP A 44 -8.388 29.427 13.679 1.00100.00 C ATOM 663 CD2 TRP A 44 -7.417 27.486 13.121 1.00100.00 C ATOM 664 NE1 TRP A 44 -9.315 28.413 13.786 1.00100.00 N ATOM 665 CE2 TRP A 44 -8.768 27.191 13.455 1.00100.00 C ATOM 666 CE3 TRP A 44 -6.607 26.404 12.729 1.00100.00 C ATOM 667 CZ2 TRP A 44 -9.288 25.893 13.408 1.00100.00 C ATOM 668 CZ3 TRP A 44 -7.118 25.098 12.680 1.00100.00 C ATOM 669 CH2 TRP A 44 -8.453 24.839 13.018 1.00100.00 C ATOM 0 H TRP A 44 -3.657 30.035 10.757 1.00100.00 H new ATOM 0 HA TRP A 44 -5.305 28.829 11.234 1.00100.00 H new ATOM 0 HB2 TRP A 44 -5.137 29.249 13.597 1.00100.00 H new ATOM 0 HB3 TRP A 44 -6.093 30.711 13.465 1.00100.00 H new ATOM 0 HD1 TRP A 44 -8.581 30.470 13.883 1.00100.00 H new ATOM 0 HE1 TRP A 44 -10.284 28.549 14.074 1.00100.00 H new ATOM 0 HE3 TRP A 44 -5.576 26.582 12.462 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -10.319 25.707 13.669 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -6.476 24.284 12.379 1.00100.00 H new ATOM 0 HH2 TRP A 44 -8.836 23.830 12.978 1.00100.00 H new ATOM 680 N TYR A 45 -7.009 31.648 10.715 1.00100.00 N ATOM 681 CA TYR A 45 -8.090 32.136 9.895 1.00100.00 C ATOM 682 C TYR A 45 -7.565 32.657 8.579 1.00100.00 C ATOM 683 O TYR A 45 -6.848 33.660 8.554 1.00100.00 O ATOM 684 CB TYR A 45 -8.986 33.248 10.500 1.00100.00 C ATOM 685 CG TYR A 45 -9.844 32.749 11.636 1.00100.00 C ATOM 686 CD1 TYR A 45 -11.026 32.050 11.354 1.00100.00 C ATOM 687 CD2 TYR A 45 -9.453 32.965 12.964 1.00100.00 C ATOM 688 CE1 TYR A 45 -11.826 31.568 12.398 1.00100.00 C ATOM 689 CE2 TYR A 45 -10.246 32.488 14.016 1.00100.00 C ATOM 690 CZ TYR A 45 -11.436 31.786 13.736 1.00100.00 C ATOM 691 OH TYR A 45 -12.208 31.315 14.757 1.00100.00 O ATOM 0 H TYR A 45 -6.532 32.359 11.270 1.00100.00 H new ATOM 0 HA TYR A 45 -8.723 31.255 9.789 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.356 34.063 10.856 1.00100.00 H new ATOM 0 HB3 TYR A 45 -9.626 33.658 9.719 1.00100.00 H new ATOM 0 HD1 TYR A 45 -11.321 31.883 10.329 1.00100.00 H new ATOM 0 HD2 TYR A 45 -8.539 33.500 13.177 1.00100.00 H new ATOM 0 HE1 TYR A 45 -12.738 31.032 12.179 1.00100.00 H new ATOM 0 HE2 TYR A 45 -9.946 32.658 15.040 1.00100.00 H new ATOM 0 HH TYR A 45 -11.796 31.550 15.614 1.00100.00 H new ATOM 701 N PRO A 46 -7.889 31.961 7.450 1.00100.00 N ATOM 702 CA PRO A 46 -7.497 32.328 6.109 1.00100.00 C ATOM 703 C PRO A 46 -8.396 33.386 5.526 1.00100.00 C ATOM 704 O PRO A 46 -9.411 33.728 6.140 1.00100.00 O ATOM 705 CB PRO A 46 -7.556 31.031 5.312 1.00100.00 C ATOM 706 CG PRO A 46 -8.748 30.329 5.956 1.00100.00 C ATOM 707 CD PRO A 46 -8.578 30.683 7.430 1.00100.00 C ATOM 0 HA PRO A 46 -6.501 32.770 6.089 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.712 31.210 4.248 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.638 30.450 5.406 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.696 30.690 5.558 1.00100.00 H new ATOM 0 HG3 PRO A 46 -8.723 29.252 5.791 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.544 30.751 7.930 1.00100.00 H new ATOM 0 HD3 PRO A 46 -8.002 29.919 7.952 1.00100.00 H new ATOM 715 N GLU A 47 -8.012 33.922 4.342 1.00100.00 N ATOM 716 CA GLU A 47 -8.778 34.915 3.631 1.00100.00 C ATOM 717 C GLU A 47 -10.117 34.362 3.223 1.00100.00 C ATOM 718 O GLU A 47 -11.130 35.047 3.385 1.00100.00 O ATOM 719 CB GLU A 47 -8.068 35.444 2.363 1.00100.00 C ATOM 720 CG GLU A 47 -6.732 36.092 2.723 1.00100.00 C ATOM 721 CD GLU A 47 -6.927 37.267 3.673 1.00100.00 C ATOM 722 OE1 GLU A 47 -7.565 38.249 3.238 1.00100.00 O ATOM 723 OE2 GLU A 47 -6.438 37.159 4.819 1.00100.00 O ATOM 0 H GLU A 47 -7.148 33.659 3.868 1.00100.00 H new ATOM 0 HA GLU A 47 -8.895 35.746 4.327 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.904 34.624 1.664 1.00100.00 H new ATOM 0 HB3 GLU A 47 -8.706 36.170 1.859 1.00100.00 H new ATOM 0 HG2 GLU A 47 -6.079 35.352 3.185 1.00100.00 H new ATOM 0 HG3 GLU A 47 -6.234 36.434 1.815 1.00100.00 H new ATOM 730 N GLU A 48 -10.149 33.104 2.709 1.00100.00 N ATOM 731 CA GLU A 48 -11.392 32.501 2.315 1.00100.00 C ATOM 732 C GLU A 48 -11.696 31.429 3.310 1.00100.00 C ATOM 733 O GLU A 48 -11.090 30.356 3.316 1.00100.00 O ATOM 734 CB GLU A 48 -11.378 31.904 0.886 1.00100.00 C ATOM 735 CG GLU A 48 -11.142 32.977 -0.178 1.00100.00 C ATOM 736 CD GLU A 48 -12.288 33.982 -0.246 1.00100.00 C ATOM 737 OE1 GLU A 48 -13.419 33.592 0.117 1.00100.00 O ATOM 738 OE2 GLU A 48 -12.012 35.124 -0.673 1.00100.00 O ATOM 0 H GLU A 48 -9.326 32.518 2.570 1.00100.00 H new ATOM 0 HA GLU A 48 -12.155 33.279 2.295 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.598 31.146 0.817 1.00100.00 H new ATOM 0 HB3 GLU A 48 -12.327 31.403 0.692 1.00100.00 H new ATOM 0 HG2 GLU A 48 -10.212 33.503 0.039 1.00100.00 H new ATOM 0 HG3 GLU A 48 -11.020 32.501 -1.151 1.00100.00 H new ATOM 745 N LEU A 49 -12.628 31.764 4.224 1.00100.00 N ATOM 746 CA LEU A 49 -13.092 30.893 5.269 1.00100.00 C ATOM 747 C LEU A 49 -13.929 29.767 4.745 1.00100.00 C ATOM 748 O LEU A 49 -13.817 28.627 5.199 1.00100.00 O ATOM 749 CB LEU A 49 -13.926 31.639 6.331 1.00100.00 C ATOM 750 CG LEU A 49 -13.111 32.740 7.017 1.00100.00 C ATOM 751 CD1 LEU A 49 -13.994 33.446 8.044 1.00100.00 C ATOM 752 CD2 LEU A 49 -11.891 32.157 7.730 1.00100.00 C ATOM 0 H LEU A 49 -13.078 32.679 4.237 1.00100.00 H new ATOM 0 HA LEU A 49 -12.183 30.498 5.723 1.00100.00 H new ATOM 0 HB2 LEU A 49 -14.807 32.077 5.861 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.282 30.930 7.078 1.00100.00 H new ATOM 0 HG LEU A 49 -12.768 33.442 6.257 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.422 34.232 8.537 1.00100.00 H new ATOM 0 HD12 LEU A 49 -14.856 33.886 7.542 1.00100.00 H new ATOM 0 HD13 LEU A 49 -14.336 32.725 8.787 1.00100.00 H new ATOM 0 HD21 LEU A 49 -11.331 32.960 8.208 1.00100.00 H new ATOM 0 HD22 LEU A 49 -12.218 31.443 8.486 1.00100.00 H new ATOM 0 HD23 LEU A 49 -11.253 31.651 7.005 1.00100.00 H new ATOM 764 N LEU A 50 -14.794 30.094 3.759 1.00100.00 N ATOM 765 CA LEU A 50 -15.704 29.168 3.155 1.00100.00 C ATOM 766 C LEU A 50 -15.061 28.082 2.361 1.00100.00 C ATOM 767 O LEU A 50 -14.005 28.256 1.751 1.00100.00 O ATOM 768 CB LEU A 50 -16.786 29.862 2.297 1.00100.00 C ATOM 769 CG LEU A 50 -17.535 30.936 3.090 1.00100.00 C ATOM 770 CD1 LEU A 50 -18.552 31.612 2.172 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.268 30.323 4.285 1.00100.00 C ATOM 0 H LEU A 50 -14.859 31.035 3.372 1.00100.00 H new ATOM 0 HA LEU A 50 -16.177 28.694 4.015 1.00100.00 H new ATOM 0 HB2 LEU A 50 -16.321 30.314 1.421 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.495 29.118 1.933 1.00100.00 H new ATOM 0 HG LEU A 50 -16.813 31.663 3.462 1.00100.00 H new ATOM 0 HD11 LEU A 50 -19.091 32.379 2.728 1.00100.00 H new ATOM 0 HD12 LEU A 50 -18.034 32.071 1.330 1.00100.00 H new ATOM 0 HD13 LEU A 50 -19.258 30.869 1.802 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.792 31.107 4.832 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.987 29.585 3.931 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.547 29.840 4.945 1.00100.00 H new ATOM 800 N ASP A 52 -14.507 25.569 -0.532 1.00100.00 N ATOM 801 CA ASP A 52 -14.516 25.764 -1.955 1.00100.00 C ATOM 802 C ASP A 52 -15.576 24.871 -2.543 1.00100.00 C ATOM 803 O ASP A 52 -15.692 23.696 -2.188 1.00100.00 O ATOM 804 CB ASP A 52 -13.144 25.455 -2.598 1.00100.00 C ATOM 805 CG ASP A 52 -13.125 25.813 -4.080 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.692 25.026 -4.869 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.542 26.872 -4.396 1.00100.00 O ATOM 0 HA ASP A 52 -14.730 26.812 -2.163 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.364 26.012 -2.079 1.00100.00 H new ATOM 0 HB3 ASP A 52 -12.914 24.396 -2.476 1.00100.00 H new ATOM 812 N GLY A 53 -16.394 25.465 -3.438 1.00100.00 N ATOM 813 CA GLY A 53 -17.464 24.794 -4.118 1.00100.00 C ATOM 814 C GLY A 53 -16.954 24.603 -5.500 1.00100.00 C ATOM 815 O GLY A 53 -16.201 23.659 -5.746 1.00100.00 O ATOM 0 H GLY A 53 -16.306 26.448 -3.697 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.700 23.841 -3.645 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.377 25.389 -4.109 1.00100.00 H new ATOM 819 N GLU A 54 -17.387 25.479 -6.439 1.00100.00 N ATOM 820 CA GLU A 54 -16.904 25.375 -7.788 1.00100.00 C ATOM 821 C GLU A 54 -16.134 26.624 -8.084 1.00100.00 C ATOM 822 O GLU A 54 -16.711 27.693 -8.302 1.00100.00 O ATOM 823 CB GLU A 54 -17.995 25.193 -8.868 1.00100.00 C ATOM 824 CG GLU A 54 -18.738 23.881 -8.623 1.00100.00 C ATOM 825 CD GLU A 54 -19.798 23.648 -9.691 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.842 24.331 -9.613 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.545 22.792 -10.566 1.00100.00 O ATOM 0 H GLU A 54 -18.050 26.235 -6.270 1.00100.00 H new ATOM 0 HA GLU A 54 -16.299 24.470 -7.837 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.693 26.030 -8.840 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.543 25.188 -9.860 1.00100.00 H new ATOM 0 HG2 GLU A 54 -18.030 23.052 -8.621 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.206 23.902 -7.639 1.00100.00 H new ATOM 834 N ASP A 55 -14.786 26.484 -8.067 1.00100.00 N ATOM 835 CA ASP A 55 -13.804 27.514 -8.339 1.00100.00 C ATOM 836 C ASP A 55 -14.017 28.774 -7.531 1.00100.00 C ATOM 837 O ASP A 55 -13.886 29.890 -8.043 1.00100.00 O ATOM 838 CB ASP A 55 -13.680 27.867 -9.851 1.00100.00 C ATOM 839 CG ASP A 55 -13.277 26.638 -10.654 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.172 26.119 -10.380 1.00100.00 O ATOM 841 OD2 ASP A 55 -14.080 26.237 -11.525 1.00100.00 O ATOM 0 H ASP A 55 -14.349 25.589 -7.848 1.00100.00 H new ATOM 0 HA ASP A 55 -12.861 27.069 -8.022 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.630 28.254 -10.219 1.00100.00 H new ATOM 0 HB3 ASP A 55 -12.940 28.656 -9.987 1.00100.00 H new ATOM 846 N ASP A 56 -14.374 28.609 -6.235 1.00100.00 N ATOM 847 CA ASP A 56 -14.616 29.719 -5.342 1.00100.00 C ATOM 848 C ASP A 56 -13.366 30.508 -5.086 1.00100.00 C ATOM 849 O ASP A 56 -13.398 31.740 -5.075 1.00100.00 O ATOM 850 CB ASP A 56 -15.224 29.304 -3.981 1.00100.00 C ATOM 851 CG ASP A 56 -16.634 28.739 -4.123 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.181 28.818 -5.244 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.146 28.245 -3.095 1.00100.00 O ATOM 0 H ASP A 56 -14.497 27.695 -5.799 1.00100.00 H new ATOM 0 HA ASP A 56 -15.349 30.335 -5.863 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.582 28.559 -3.511 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.247 30.168 -3.317 1.00100.00 H new ATOM 858 N VAL A 57 -12.233 29.792 -4.893 1.00100.00 N ATOM 859 CA VAL A 57 -10.951 30.386 -4.636 1.00100.00 C ATOM 860 C VAL A 57 -10.409 31.000 -5.907 1.00100.00 C ATOM 861 O VAL A 57 -10.717 30.557 -7.017 1.00100.00 O ATOM 862 CB VAL A 57 -9.985 29.406 -3.969 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.543 28.322 -4.953 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.765 30.124 -3.395 1.00100.00 C ATOM 0 H VAL A 57 -12.211 28.773 -4.917 1.00100.00 H new ATOM 0 HA VAL A 57 -11.072 31.191 -3.911 1.00100.00 H new ATOM 0 HB VAL A 57 -10.519 28.935 -3.144 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.856 27.637 -4.455 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.416 27.771 -5.303 1.00100.00 H new ATOM 0 HG13 VAL A 57 -9.041 28.785 -5.803 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.101 29.396 -2.929 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.235 30.638 -4.197 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.088 30.850 -2.649 1.00100.00 H new ATOM 874 N PHE A 58 -9.580 32.056 -5.731 1.00100.00 N ATOM 875 CA PHE A 58 -8.937 32.825 -6.768 1.00100.00 C ATOM 876 C PHE A 58 -9.949 33.368 -7.752 1.00100.00 C ATOM 877 O PHE A 58 -9.752 33.302 -8.968 1.00100.00 O ATOM 878 CB PHE A 58 -7.802 32.073 -7.538 1.00100.00 C ATOM 879 CG PHE A 58 -6.722 31.519 -6.640 1.00100.00 C ATOM 880 CD1 PHE A 58 -5.814 32.386 -6.018 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.628 30.136 -6.433 1.00100.00 C ATOM 882 CE1 PHE A 58 -4.815 31.868 -5.181 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.631 29.620 -5.595 1.00100.00 C ATOM 884 CZ PHE A 58 -4.726 30.486 -4.968 1.00100.00 C ATOM 0 H PHE A 58 -9.343 32.396 -4.799 1.00100.00 H new ATOM 0 HA PHE A 58 -8.450 33.644 -6.238 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.242 31.255 -8.108 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.349 32.756 -8.257 1.00100.00 H new ATOM 0 HD1 PHE A 58 -5.883 33.451 -6.183 1.00100.00 H new ATOM 0 HD2 PHE A 58 -7.324 29.468 -6.919 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.114 32.535 -4.700 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.560 28.555 -5.432 1.00100.00 H new ATOM 0 HZ PHE A 58 -3.959 30.088 -4.320 1.00100.00 H new ATOM 894 N ASP A 59 -11.085 33.905 -7.228 1.00100.00 N ATOM 895 CA ASP A 59 -12.130 34.477 -8.049 1.00100.00 C ATOM 896 C ASP A 59 -11.607 35.662 -8.858 1.00100.00 C ATOM 897 O ASP A 59 -11.891 35.689 -10.058 1.00100.00 O ATOM 898 CB ASP A 59 -13.409 34.843 -7.241 1.00100.00 C ATOM 899 CG ASP A 59 -14.491 35.387 -8.165 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.034 34.574 -8.942 1.00100.00 O ATOM 901 OD2 ASP A 59 -14.751 36.607 -8.079 1.00100.00 O ATOM 0 H ASP A 59 -11.279 33.942 -6.227 1.00100.00 H new ATOM 0 HA ASP A 59 -12.436 33.701 -8.751 1.00100.00 H new ATOM 0 HB2 ASP A 59 -13.780 33.961 -6.718 1.00100.00 H new ATOM 0 HB3 ASP A 59 -13.165 35.586 -6.481 1.00100.00 H new ATOM 906 N PRO A 60 -10.833 36.652 -8.291 1.00100.00 N ATOM 907 CA PRO A 60 -10.289 37.742 -9.077 1.00100.00 C ATOM 908 C PRO A 60 -9.160 37.225 -9.942 1.00100.00 C ATOM 909 O PRO A 60 -8.599 36.169 -9.626 1.00100.00 O ATOM 910 CB PRO A 60 -9.859 38.812 -8.074 1.00100.00 C ATOM 911 CG PRO A 60 -9.480 37.965 -6.859 1.00100.00 C ATOM 912 CD PRO A 60 -10.480 36.808 -6.894 1.00100.00 C ATOM 0 HA PRO A 60 -11.010 38.177 -9.770 1.00100.00 H new ATOM 0 HB2 PRO A 60 -9.018 39.402 -8.440 1.00100.00 H new ATOM 0 HB3 PRO A 60 -10.665 39.511 -7.850 1.00100.00 H new ATOM 0 HG2 PRO A 60 -8.452 37.608 -6.925 1.00100.00 H new ATOM 0 HG3 PRO A 60 -9.560 38.535 -5.933 1.00100.00 H new ATOM 0 HD2 PRO A 60 -10.039 35.894 -6.495 1.00100.00 H new ATOM 0 HD3 PRO A 60 -11.359 37.029 -6.288 1.00100.00 H new ATOM 920 N ASP A 61 -8.814 37.953 -11.029 1.00100.00 N ATOM 921 CA ASP A 61 -7.765 37.536 -11.929 1.00100.00 C ATOM 922 C ASP A 61 -6.430 37.506 -11.250 1.00100.00 C ATOM 923 O ASP A 61 -6.042 38.452 -10.561 1.00100.00 O ATOM 924 CB ASP A 61 -7.612 38.406 -13.204 1.00100.00 C ATOM 925 CG ASP A 61 -8.912 38.441 -13.996 1.00100.00 C ATOM 926 OD1 ASP A 61 -9.485 37.348 -14.197 1.00100.00 O ATOM 927 OD2 ASP A 61 -9.312 39.559 -14.385 1.00100.00 O ATOM 0 H ASP A 61 -9.261 38.833 -11.287 1.00100.00 H new ATOM 0 HA ASP A 61 -8.081 36.539 -12.235 1.00100.00 H new ATOM 0 HB2 ASP A 61 -7.324 39.420 -12.925 1.00100.00 H new ATOM 0 HB3 ASP A 61 -6.812 38.007 -13.828 1.00100.00 H new ATOM 932 N LEU A 62 -5.721 36.373 -11.442 1.00100.00 N ATOM 933 CA LEU A 62 -4.424 36.146 -10.873 1.00100.00 C ATOM 934 C LEU A 62 -3.509 36.052 -12.061 1.00100.00 C ATOM 935 O LEU A 62 -2.584 36.855 -12.187 1.00100.00 O ATOM 936 CB LEU A 62 -4.411 34.827 -10.055 1.00100.00 C ATOM 937 CG LEU A 62 -3.030 34.523 -9.471 1.00100.00 C ATOM 938 CD1 LEU A 62 -2.657 35.556 -8.408 1.00100.00 C ATOM 939 CD2 LEU A 62 -3.051 33.130 -8.839 1.00100.00 C ATOM 0 H LEU A 62 -6.059 35.595 -12.008 1.00100.00 H new ATOM 0 HA LEU A 62 -4.124 36.934 -10.183 1.00100.00 H new ATOM 0 HB2 LEU A 62 -5.139 34.896 -9.246 1.00100.00 H new ATOM 0 HB3 LEU A 62 -4.723 34.002 -10.695 1.00100.00 H new ATOM 0 HG LEU A 62 -2.290 34.563 -10.271 1.00100.00 H new ATOM 0 HD11 LEU A 62 -1.672 35.323 -8.004 1.00100.00 H new ATOM 0 HD12 LEU A 62 -2.640 36.549 -8.856 1.00100.00 H new ATOM 0 HD13 LEU A 62 -3.393 35.533 -7.604 1.00100.00 H new ATOM 0 HD21 LEU A 62 -2.070 32.906 -8.420 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.799 33.101 -8.047 1.00100.00 H new ATOM 0 HD23 LEU A 62 -3.299 32.389 -9.599 1.00100.00 H new ATOM 951 N ASP A 63 -3.774 35.084 -12.972 1.00100.00 N ATOM 952 CA ASP A 63 -3.004 34.877 -14.173 1.00100.00 C ATOM 953 C ASP A 63 -3.946 34.709 -15.323 1.00100.00 C ATOM 954 O ASP A 63 -5.099 34.312 -15.146 1.00100.00 O ATOM 955 CB ASP A 63 -2.072 33.638 -14.157 1.00100.00 C ATOM 956 CG ASP A 63 -0.931 33.860 -13.173 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.093 34.740 -13.469 1.00100.00 O ATOM 958 OD2 ASP A 63 -0.919 33.157 -12.141 1.00100.00 O ATOM 0 H ASP A 63 -4.547 34.426 -12.870 1.00100.00 H new ATOM 0 HA ASP A 63 -2.362 35.753 -14.258 1.00100.00 H new ATOM 0 HB2 ASP A 63 -2.638 32.750 -13.876 1.00100.00 H new ATOM 0 HB3 ASP A 63 -1.673 33.459 -15.156 1.00100.00 H new ATOM 963 N MET A 64 -3.461 35.056 -16.540 1.00100.00 N ATOM 964 CA MET A 64 -4.223 34.946 -17.761 1.00100.00 C ATOM 965 C MET A 64 -4.563 33.514 -18.081 1.00100.00 C ATOM 966 O MET A 64 -5.710 33.217 -18.420 1.00100.00 O ATOM 967 CB MET A 64 -3.529 35.597 -18.970 1.00100.00 C ATOM 968 CG MET A 64 -3.294 37.082 -18.700 1.00100.00 C ATOM 969 SD MET A 64 -2.452 37.958 -20.042 1.00100.00 S ATOM 970 CE MET A 64 -3.692 37.768 -21.348 1.00100.00 C ATOM 0 H MET A 64 -2.519 35.421 -16.679 1.00100.00 H new ATOM 0 HA MET A 64 -5.144 35.498 -17.575 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.579 35.100 -19.166 1.00100.00 H new ATOM 0 HB3 MET A 64 -4.143 35.474 -19.862 1.00100.00 H new ATOM 0 HG2 MET A 64 -4.255 37.562 -18.515 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.705 37.185 -17.789 1.00100.00 H new ATOM 0 HE1 MET A 64 -3.495 38.486 -22.144 1.00100.00 H new ATOM 0 HE2 MET A 64 -3.644 36.757 -21.751 1.00100.00 H new ATOM 0 HE3 MET A 64 -4.685 37.947 -20.936 1.00100.00 H new ATOM 980 N GLU A 65 -3.592 32.585 -17.883 1.00100.00 N ATOM 981 CA GLU A 65 -3.811 31.181 -18.128 1.00100.00 C ATOM 982 C GLU A 65 -4.515 30.667 -16.906 1.00100.00 C ATOM 983 O GLU A 65 -4.063 30.900 -15.779 1.00100.00 O ATOM 984 CB GLU A 65 -2.505 30.392 -18.368 1.00100.00 C ATOM 985 CG GLU A 65 -2.833 28.937 -18.711 1.00100.00 C ATOM 986 CD GLU A 65 -1.574 28.102 -18.917 1.00100.00 C ATOM 987 OE1 GLU A 65 -0.492 28.711 -19.065 1.00100.00 O ATOM 988 OE2 GLU A 65 -1.719 26.860 -18.923 1.00100.00 O ATOM 0 H GLU A 65 -2.654 32.810 -17.552 1.00100.00 H new ATOM 0 HA GLU A 65 -4.393 31.048 -19.040 1.00100.00 H new ATOM 0 HB2 GLU A 65 -1.938 30.848 -19.180 1.00100.00 H new ATOM 0 HB3 GLU A 65 -1.876 30.433 -17.479 1.00100.00 H new ATOM 0 HG2 GLU A 65 -3.430 28.501 -17.910 1.00100.00 H new ATOM 0 HG3 GLU A 65 -3.441 28.906 -19.615 1.00100.00 H new ATOM 995 N VAL A 66 -5.660 29.972 -17.120 1.00100.00 N ATOM 996 CA VAL A 66 -6.413 29.476 -16.002 1.00100.00 C ATOM 997 C VAL A 66 -6.107 28.023 -15.805 1.00100.00 C ATOM 998 O VAL A 66 -6.421 27.157 -16.626 1.00100.00 O ATOM 999 CB VAL A 66 -7.915 29.725 -16.095 1.00100.00 C ATOM 1000 CG1 VAL A 66 -8.612 29.207 -14.837 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.176 31.225 -16.233 1.00100.00 C ATOM 0 H VAL A 66 -6.052 29.760 -18.038 1.00100.00 H new ATOM 0 HA VAL A 66 -6.097 30.046 -15.128 1.00100.00 H new ATOM 0 HB VAL A 66 -8.308 29.200 -16.966 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.684 29.390 -14.914 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.433 28.137 -14.736 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.217 29.725 -13.963 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.249 31.403 -16.299 1.00100.00 H new ATOM 0 HG22 VAL A 66 -7.775 31.746 -15.363 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.690 31.597 -17.135 1.00100.00 H new ATOM 1011 N VAL A 67 -5.417 27.780 -14.676 1.00100.00 N ATOM 1012 CA VAL A 67 -5.015 26.485 -14.194 1.00100.00 C ATOM 1013 C VAL A 67 -5.453 26.570 -12.747 1.00100.00 C ATOM 1014 O VAL A 67 -5.238 27.597 -12.097 1.00100.00 O ATOM 1015 CB VAL A 67 -3.506 26.238 -14.230 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.181 24.839 -13.709 1.00100.00 C ATOM 1017 CG2 VAL A 67 -3.000 26.373 -15.665 1.00100.00 C ATOM 0 H VAL A 67 -5.119 28.534 -14.057 1.00100.00 H new ATOM 0 HA VAL A 67 -5.438 25.682 -14.798 1.00100.00 H new ATOM 0 HB VAL A 67 -3.016 26.975 -13.594 1.00100.00 H new ATOM 0 HG11 VAL A 67 -2.103 24.680 -13.742 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.531 24.743 -12.681 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.677 24.094 -14.332 1.00100.00 H new ATOM 0 HG21 VAL A 67 -1.925 26.197 -15.690 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.502 25.642 -16.298 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.212 27.377 -16.032 1.00100.00 H new ATOM 1027 N PHE A 68 -6.117 25.515 -12.210 1.00100.00 N ATOM 1028 CA PHE A 68 -6.551 25.516 -10.829 1.00100.00 C ATOM 1029 C PHE A 68 -5.324 25.534 -9.933 1.00100.00 C ATOM 1030 O PHE A 68 -5.287 26.269 -8.944 1.00100.00 O ATOM 1031 CB PHE A 68 -7.456 24.305 -10.470 1.00100.00 C ATOM 1032 CG PHE A 68 -8.041 24.412 -9.079 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.170 25.215 -8.857 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.448 23.732 -8.005 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.707 25.334 -7.568 1.00100.00 C ATOM 1036 CE2 PHE A 68 -7.986 23.850 -6.716 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.115 24.651 -6.497 1.00100.00 C ATOM 0 H PHE A 68 -6.353 24.667 -12.726 1.00100.00 H new ATOM 0 HA PHE A 68 -7.160 26.407 -10.674 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.265 24.232 -11.197 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.875 23.386 -10.547 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.626 25.743 -9.681 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.576 23.117 -8.171 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.577 25.952 -7.400 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.530 23.323 -5.891 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.529 24.742 -5.503 1.00100.00 H new ATOM 1047 N GLU A 69 -4.291 24.739 -10.299 1.00100.00 N ATOM 1048 CA GLU A 69 -3.061 24.638 -9.558 1.00100.00 C ATOM 1049 C GLU A 69 -2.136 25.734 -10.026 1.00100.00 C ATOM 1050 O GLU A 69 -1.319 25.542 -10.933 1.00100.00 O ATOM 1051 CB GLU A 69 -2.356 23.282 -9.778 1.00100.00 C ATOM 1052 CG GLU A 69 -3.191 22.155 -9.185 1.00100.00 C ATOM 1053 CD GLU A 69 -2.438 20.833 -9.250 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.488 20.682 -8.452 1.00100.00 O ATOM 1055 OE2 GLU A 69 -2.825 20.001 -10.099 1.00100.00 O ATOM 0 H GLU A 69 -4.312 24.151 -11.132 1.00100.00 H new ATOM 0 HA GLU A 69 -3.297 24.727 -8.498 1.00100.00 H new ATOM 0 HB2 GLU A 69 -2.205 23.111 -10.844 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.370 23.297 -9.314 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.440 22.387 -8.149 1.00100.00 H new ATOM 0 HG3 GLU A 69 -4.133 22.070 -9.727 1.00100.00 H new ATOM 1062 N THR A 70 -2.285 26.942 -9.440 1.00100.00 N ATOM 1063 CA THR A 70 -1.441 28.048 -9.795 1.00100.00 C ATOM 1064 C THR A 70 -0.827 28.539 -8.517 1.00100.00 C ATOM 1065 O THR A 70 -1.491 28.654 -7.480 1.00100.00 O ATOM 1066 CB THR A 70 -2.158 29.163 -10.522 1.00100.00 C ATOM 1067 OG1 THR A 70 -2.678 28.660 -11.733 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.212 30.319 -10.832 1.00100.00 C ATOM 0 H THR A 70 -2.983 27.151 -8.727 1.00100.00 H new ATOM 0 HA THR A 70 -0.689 27.709 -10.507 1.00100.00 H new ATOM 0 HB THR A 70 -2.958 29.534 -9.882 1.00100.00 H new ATOM 0 HG1 THR A 70 -3.601 28.361 -11.594 1.00100.00 H new ATOM 0 HG21 THR A 70 -1.757 31.105 -11.355 1.00100.00 H new ATOM 0 HG22 THR A 70 -0.806 30.716 -9.902 1.00100.00 H new ATOM 0 HG23 THR A 70 -0.396 29.963 -11.461 1.00100.00 H new ATOM 1076 N GLN A 71 0.498 28.787 -8.584 1.00100.00 N ATOM 1077 CA GLN A 71 1.260 29.268 -7.470 1.00100.00 C ATOM 1078 C GLN A 71 1.836 30.646 -7.823 1.00100.00 C ATOM 1079 O GLN A 71 1.838 31.047 -9.018 1.00100.00 O ATOM 1080 CB GLN A 71 2.440 28.341 -7.089 1.00100.00 C ATOM 1081 CG GLN A 71 1.921 26.979 -6.627 1.00100.00 C ATOM 1082 CD GLN A 71 1.104 27.108 -5.347 1.00100.00 C ATOM 1083 OE1 GLN A 71 1.640 27.477 -4.304 1.00100.00 O ATOM 1084 NE2 GLN A 71 -0.193 26.804 -5.425 1.00100.00 N ATOM 1085 OXT GLN A 71 2.290 31.330 -6.880 1.00100.00 O ATOM 0 H GLN A 71 1.050 28.650 -9.431 1.00100.00 H new ATOM 0 HA GLN A 71 0.582 29.309 -6.618 1.00100.00 H new ATOM 0 HB2 GLN A 71 3.102 28.213 -7.946 1.00100.00 H new ATOM 0 HB3 GLN A 71 3.030 28.800 -6.296 1.00100.00 H new ATOM 0 HG2 GLN A 71 1.307 26.536 -7.411 1.00100.00 H new ATOM 0 HG3 GLN A 71 2.761 26.304 -6.460 1.00100.00 H new ATOM 0 HE21 GLN A 71 -0.594 26.502 -6.313 1.00100.00 H new ATOM 0 HE22 GLN A 71 -0.784 26.874 -4.596 1.00100.00 H new