USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 47 LYS NZ :NH3+ 165:sc= 0.81 (180deg=-0.132) USER MOD Set 1.2: A 51 SER OG : rot -32:sc= 0.719 USER MOD Set 2.1: A 33 GLN : amide:sc= 0.4 K(o=2,f=-4.7) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 170:sc= 1.59 (180deg=0.796) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.0376 K(o=0.035,f=-2.9!) USER MOD Set 3.2: A 26 THR OG1 : rot -169:sc= 0.0726 USER MOD Set 4.1: A 17 MET CE :methyl -177:sc= -1.05 (180deg=-1.17) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 152:sc= -0.412 (180deg=-0.765) USER MOD Single : A 2 TYR OH : rot -12:sc= 1.23 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -47:sc= 1.53 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc=-0.00599 (180deg=-0.417) USER MOD Single : A 12 GLN : amide:sc= 0.871 K(o=0.87,f=-6.4!) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0.294 (180deg=0.108) USER MOD Single : A 21 GLN : amide:sc= 0.212 K(o=0.21,f=-3.3!) USER MOD Single : A 28 THR OG1 : rot 101:sc= 1.29 USER MOD Single : A 29 GLN : amide:sc= 1.19 K(o=1.2,f=-0.073) USER MOD Single : A 32 SER OG : rot -80:sc= 1.15 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 153:sc=-0.00688 (180deg=-0.142) USER MOD Single : A 57 SER OG : rot -150:sc= 1.15 USER MOD Single : A 62 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 1.36 (180deg=0.765!) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 1.26 (180deg=0.741) USER MOD Single : A 67 GLN : amide:sc= 0.686 K(o=0.69,f=-4.4!) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0665) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.175 -2.538 6.650 1.00 0.00 N ATOM 11 CA TYR A 2 -13.984 -2.262 7.483 1.00 0.00 C ATOM 12 C TYR A 2 -12.768 -1.999 6.590 1.00 0.00 C ATOM 13 O TYR A 2 -11.985 -1.097 6.872 1.00 0.00 O ATOM 14 CB TYR A 2 -13.689 -3.386 8.503 1.00 0.00 C ATOM 15 CG TYR A 2 -12.366 -3.191 9.244 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.125 -1.988 9.936 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.331 -4.148 9.154 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.839 -1.690 10.415 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.041 -3.859 9.649 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.773 -2.593 10.219 1.00 0.00 C ATOM 21 OH TYR A 2 -8.500 -2.186 10.475 1.00 0.00 O ATOM 0 HA TYR A 2 -14.200 -1.369 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.501 -3.433 9.228 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.670 -4.344 7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.934 -1.291 10.099 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.528 -5.109 8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.665 -0.761 10.938 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.260 -4.603 9.592 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.486 -1.214 10.596 1.00 0.00 H new ATOM 31 N PHE A 3 -12.696 -2.717 5.463 1.00 0.00 N ATOM 32 CA PHE A 3 -11.722 -2.555 4.400 1.00 0.00 C ATOM 33 C PHE A 3 -11.293 -1.116 4.111 1.00 0.00 C ATOM 34 O PHE A 3 -10.120 -0.935 3.808 1.00 0.00 O ATOM 35 CB PHE A 3 -12.226 -3.227 3.121 1.00 0.00 C ATOM 36 CG PHE A 3 -12.012 -4.719 3.033 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.699 -5.191 2.839 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.093 -5.619 3.018 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.461 -6.558 2.627 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.854 -6.989 2.808 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.542 -7.452 2.603 1.00 0.00 C ATOM 0 H PHE A 3 -13.358 -3.467 5.266 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.819 -3.044 4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.293 -3.026 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.734 -2.758 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.871 -4.497 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.101 -5.260 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.453 -6.919 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.679 -7.686 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.365 -8.503 2.426 1.00 0.00 H new ATOM 51 N CYS A 4 -12.182 -0.114 4.154 1.00 0.00 N ATOM 52 CA CYS A 4 -11.774 1.269 3.918 1.00 0.00 C ATOM 53 C CYS A 4 -10.740 1.726 4.951 1.00 0.00 C ATOM 54 O CYS A 4 -9.685 2.238 4.585 1.00 0.00 O ATOM 55 CB CYS A 4 -12.979 2.219 3.941 1.00 0.00 C ATOM 56 SG CYS A 4 -12.615 3.782 3.101 1.00 0.00 S ATOM 0 H CYS A 4 -13.176 -0.237 4.348 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.321 1.303 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.831 1.738 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.265 2.419 4.974 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.662 4.552 3.144 1.00 0.00 H new ATOM 61 N GLU A 5 -11.039 1.529 6.237 1.00 0.00 N ATOM 62 CA GLU A 5 -10.157 1.837 7.356 1.00 0.00 C ATOM 63 C GLU A 5 -8.883 1.013 7.193 1.00 0.00 C ATOM 64 O GLU A 5 -7.789 1.577 7.223 1.00 0.00 O ATOM 65 CB GLU A 5 -10.888 1.497 8.668 1.00 0.00 C ATOM 66 CG GLU A 5 -10.286 2.090 9.951 1.00 0.00 C ATOM 67 CD GLU A 5 -8.815 1.746 10.221 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.451 0.566 10.461 1.00 0.00 O ATOM 69 OE2 GLU A 5 -8.008 2.697 10.278 1.00 0.00 O ATOM 0 H GLU A 5 -11.933 1.137 6.534 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.891 2.894 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.920 1.838 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.918 0.412 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.384 3.175 9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.880 1.750 10.799 1.00 0.00 H new ATOM 76 N SER A 6 -9.032 -0.300 6.952 1.00 0.00 N ATOM 77 CA SER A 6 -7.916 -1.215 6.773 1.00 0.00 C ATOM 78 C SER A 6 -6.968 -0.626 5.734 1.00 0.00 C ATOM 79 O SER A 6 -5.820 -0.329 6.037 1.00 0.00 O ATOM 80 CB SER A 6 -8.394 -2.599 6.303 1.00 0.00 C ATOM 81 OG SER A 6 -9.592 -3.012 6.916 1.00 0.00 O ATOM 0 H SER A 6 -9.944 -0.751 6.877 1.00 0.00 H new ATOM 0 HA SER A 6 -7.410 -1.343 7.730 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.535 -2.579 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.616 -3.334 6.510 1.00 0.00 H new ATOM 0 HG SER A 6 -9.534 -2.861 7.883 1.00 0.00 H new ATOM 87 N CYS A 7 -7.475 -0.426 4.518 1.00 0.00 N ATOM 88 CA CYS A 7 -6.783 0.094 3.360 1.00 0.00 C ATOM 89 C CYS A 7 -6.118 1.427 3.667 1.00 0.00 C ATOM 90 O CYS A 7 -4.944 1.594 3.331 1.00 0.00 O ATOM 91 CB CYS A 7 -7.793 0.208 2.224 1.00 0.00 C ATOM 92 SG CYS A 7 -7.204 1.119 0.788 1.00 0.00 S ATOM 0 H CYS A 7 -8.450 -0.641 4.311 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.979 -0.581 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.081 -0.795 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.693 0.694 2.602 1.00 0.00 H new ATOM 97 N ARG A 8 -6.826 2.354 4.325 1.00 0.00 N ATOM 98 CA ARG A 8 -6.242 3.631 4.697 1.00 0.00 C ATOM 99 C ARG A 8 -5.017 3.369 5.563 1.00 0.00 C ATOM 100 O ARG A 8 -3.957 3.894 5.247 1.00 0.00 O ATOM 101 CB ARG A 8 -7.263 4.550 5.393 1.00 0.00 C ATOM 102 CG ARG A 8 -6.712 5.985 5.444 1.00 0.00 C ATOM 103 CD ARG A 8 -7.325 6.847 6.549 1.00 0.00 C ATOM 104 NE ARG A 8 -6.499 8.056 6.750 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.872 9.336 6.854 1.00 0.00 C ATOM 106 NH1 ARG A 8 -8.132 9.723 6.667 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.931 10.231 7.142 1.00 0.00 N ATOM 0 H ARG A 8 -7.799 2.236 4.606 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.935 4.165 3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.210 4.532 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.463 4.190 6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.632 5.944 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.889 6.466 4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.343 7.130 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.386 6.278 7.477 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.495 7.889 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.848 9.034 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.381 10.708 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.965 9.931 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.175 11.217 7.230 1.00 0.00 H new ATOM 121 N LYS A 9 -5.124 2.551 6.614 1.00 0.00 N ATOM 122 CA LYS A 9 -4.008 2.189 7.475 1.00 0.00 C ATOM 123 C LYS A 9 -2.857 1.598 6.658 1.00 0.00 C ATOM 124 O LYS A 9 -1.703 1.933 6.921 1.00 0.00 O ATOM 125 CB LYS A 9 -4.535 1.192 8.521 1.00 0.00 C ATOM 126 CG LYS A 9 -3.658 1.054 9.765 1.00 0.00 C ATOM 127 CD LYS A 9 -3.671 2.259 10.723 1.00 0.00 C ATOM 128 CE LYS A 9 -5.075 2.766 11.091 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.980 1.728 11.633 1.00 0.00 N ATOM 0 H LYS A 9 -6.005 2.118 6.890 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.607 3.071 7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.534 1.502 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.635 0.213 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.977 0.170 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.631 0.877 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.146 1.985 11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.112 3.076 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.978 3.565 11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.534 3.203 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.952 2.096 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.948 0.886 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.677 1.471 12.594 1.00 0.00 H new ATOM 143 N ILE A 10 -3.163 0.717 5.698 1.00 0.00 N ATOM 144 CA ILE A 10 -2.167 -0.012 4.921 1.00 0.00 C ATOM 145 C ILE A 10 -1.372 1.002 4.100 1.00 0.00 C ATOM 146 O ILE A 10 -0.148 1.046 4.226 1.00 0.00 O ATOM 147 CB ILE A 10 -2.797 -1.113 4.020 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.796 -2.013 4.790 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.657 -1.951 3.431 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.786 -3.531 4.645 1.00 0.00 C ATOM 0 H ILE A 10 -4.124 0.491 5.440 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.504 -0.545 5.603 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.373 -0.633 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.663 -1.797 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.797 -1.677 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.071 -2.732 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.002 -1.310 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.086 -2.407 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.567 -3.962 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.967 -3.798 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.816 -3.920 4.956 1.00 0.00 H new ATOM 162 N ILE A 11 -2.052 1.799 3.263 1.00 0.00 N ATOM 163 CA ILE A 11 -1.366 2.783 2.443 1.00 0.00 C ATOM 164 C ILE A 11 -0.676 3.804 3.350 1.00 0.00 C ATOM 165 O ILE A 11 0.475 4.090 3.077 1.00 0.00 O ATOM 166 CB ILE A 11 -2.281 3.437 1.379 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.806 2.500 0.261 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.538 4.612 0.711 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.781 1.566 -0.383 1.00 0.00 C ATOM 0 H ILE A 11 -3.065 1.776 3.143 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.603 2.269 1.858 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.161 3.755 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.609 1.891 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.245 3.117 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.183 5.072 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.274 5.352 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.631 4.244 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.269 0.963 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.986 2.157 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.356 0.912 0.378 1.00 0.00 H new ATOM 181 N GLN A 12 -1.299 4.323 4.415 1.00 0.00 N ATOM 182 CA GLN A 12 -0.676 5.355 5.251 1.00 0.00 C ATOM 183 C GLN A 12 0.686 4.892 5.760 1.00 0.00 C ATOM 184 O GLN A 12 1.654 5.633 5.636 1.00 0.00 O ATOM 185 CB GLN A 12 -1.564 5.750 6.442 1.00 0.00 C ATOM 186 CG GLN A 12 -2.820 6.540 6.050 1.00 0.00 C ATOM 187 CD GLN A 12 -2.714 8.058 6.208 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.583 8.652 6.852 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.743 8.724 5.601 1.00 0.00 N ATOM 0 H GLN A 12 -2.233 4.045 4.717 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.547 6.234 4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.866 4.847 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.975 6.346 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.061 6.315 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.655 6.186 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.032 8.219 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.707 9.742 5.662 1.00 0.00 H new ATOM 198 N LYS A 13 0.795 3.677 6.316 1.00 0.00 N ATOM 199 CA LYS A 13 2.095 3.212 6.795 1.00 0.00 C ATOM 200 C LYS A 13 3.070 2.983 5.636 1.00 0.00 C ATOM 201 O LYS A 13 4.267 3.079 5.870 1.00 0.00 O ATOM 202 CB LYS A 13 1.924 1.972 7.687 1.00 0.00 C ATOM 203 CG LYS A 13 3.178 1.562 8.488 1.00 0.00 C ATOM 204 CD LYS A 13 3.692 2.617 9.493 1.00 0.00 C ATOM 205 CE LYS A 13 4.981 3.288 8.998 1.00 0.00 C ATOM 206 NZ LYS A 13 5.513 4.312 9.924 1.00 0.00 N ATOM 0 H LYS A 13 0.024 3.021 6.441 1.00 0.00 H new ATOM 0 HA LYS A 13 2.541 3.993 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.109 2.157 8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.622 1.133 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.958 0.643 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.979 1.333 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.924 3.374 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.875 2.143 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.741 2.523 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.790 3.751 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.278 4.839 9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.752 4.969 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.883 3.849 10.778 1.00 0.00 H new ATOM 220 N LEU A 14 2.610 2.639 4.430 1.00 0.00 N ATOM 221 CA LEU A 14 3.480 2.464 3.263 1.00 0.00 C ATOM 222 C LEU A 14 3.986 3.804 2.742 1.00 0.00 C ATOM 223 O LEU A 14 5.147 3.913 2.382 1.00 0.00 O ATOM 224 CB LEU A 14 2.714 1.728 2.152 1.00 0.00 C ATOM 225 CG LEU A 14 3.515 1.529 0.850 1.00 0.00 C ATOM 226 CD1 LEU A 14 4.867 0.841 1.082 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.652 0.689 -0.099 1.00 0.00 C ATOM 0 H LEU A 14 1.623 2.474 4.235 1.00 0.00 H new ATOM 0 HA LEU A 14 4.344 1.873 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.404 0.752 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.805 2.285 1.924 1.00 0.00 H new ATOM 0 HG LEU A 14 3.742 2.507 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.386 0.728 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.473 1.447 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.704 -0.141 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.190 0.528 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.433 -0.273 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.719 1.214 -0.303 1.00 0.00 H new ATOM 239 N GLU A 15 3.107 4.792 2.680 1.00 0.00 N ATOM 240 CA GLU A 15 3.332 6.158 2.244 1.00 0.00 C ATOM 241 C GLU A 15 4.403 6.771 3.148 1.00 0.00 C ATOM 242 O GLU A 15 5.434 7.225 2.663 1.00 0.00 O ATOM 243 CB GLU A 15 1.927 6.809 2.312 1.00 0.00 C ATOM 244 CG GLU A 15 1.728 8.282 1.942 1.00 0.00 C ATOM 245 CD GLU A 15 0.274 8.753 2.194 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.388 8.291 3.158 1.00 0.00 O ATOM 247 OE2 GLU A 15 -0.213 9.605 1.406 1.00 0.00 O ATOM 0 H GLU A 15 2.137 4.644 2.957 1.00 0.00 H new ATOM 0 HA GLU A 15 3.722 6.288 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.271 6.225 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.564 6.683 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.414 8.898 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.980 8.429 0.892 1.00 0.00 H new ATOM 254 N ASP A 16 4.189 6.682 4.460 1.00 0.00 N ATOM 255 CA ASP A 16 5.119 7.072 5.519 1.00 0.00 C ATOM 256 C ASP A 16 6.460 6.345 5.363 1.00 0.00 C ATOM 257 O ASP A 16 7.509 6.978 5.418 1.00 0.00 O ATOM 258 CB ASP A 16 4.386 6.740 6.835 1.00 0.00 C ATOM 259 CG ASP A 16 5.169 6.620 8.142 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.298 6.087 8.160 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.505 6.676 9.206 1.00 0.00 O ATOM 0 H ASP A 16 3.313 6.315 4.833 1.00 0.00 H new ATOM 0 HA ASP A 16 5.381 8.130 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.625 7.506 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.862 5.796 6.684 1.00 0.00 H new ATOM 266 N MET A 17 6.427 5.029 5.125 1.00 0.00 N ATOM 267 CA MET A 17 7.628 4.212 5.019 1.00 0.00 C ATOM 268 C MET A 17 8.462 4.549 3.794 1.00 0.00 C ATOM 269 O MET A 17 9.674 4.690 3.936 1.00 0.00 O ATOM 270 CB MET A 17 7.290 2.714 4.960 1.00 0.00 C ATOM 271 CG MET A 17 7.017 2.063 6.324 1.00 0.00 C ATOM 272 SD MET A 17 8.316 1.054 7.118 1.00 0.00 S ATOM 273 CE MET A 17 9.090 0.206 5.712 1.00 0.00 C ATOM 0 H MET A 17 5.561 4.505 5.001 1.00 0.00 H new ATOM 0 HA MET A 17 8.205 4.435 5.917 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.414 2.578 4.326 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.115 2.188 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.753 2.860 7.019 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.135 1.432 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 17 9.858 -0.476 6.076 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.334 -0.358 5.166 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.543 0.942 5.048 1.00 0.00 H new ATOM 283 N VAL A 18 7.886 4.427 2.590 1.00 0.00 N ATOM 284 CA VAL A 18 8.676 4.611 1.381 1.00 0.00 C ATOM 285 C VAL A 18 9.223 6.046 1.345 1.00 0.00 C ATOM 286 O VAL A 18 10.345 6.266 0.897 1.00 0.00 O ATOM 287 CB VAL A 18 7.912 4.154 0.124 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.923 5.174 -0.442 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.870 3.592 -0.927 1.00 0.00 C ATOM 0 H VAL A 18 6.902 4.207 2.436 1.00 0.00 H new ATOM 0 HA VAL A 18 9.548 3.958 1.393 1.00 0.00 H new ATOM 0 HB VAL A 18 7.264 3.342 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.437 4.758 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.170 5.408 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.456 6.084 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.304 3.277 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.586 4.361 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.403 2.736 -0.513 1.00 0.00 H new ATOM 299 N GLY A 19 8.424 7.010 1.825 1.00 0.00 N ATOM 300 CA GLY A 19 8.822 8.398 1.916 1.00 0.00 C ATOM 301 C GLY A 19 8.717 9.072 0.540 1.00 0.00 C ATOM 302 O GLY A 19 7.719 8.869 -0.159 1.00 0.00 O ATOM 0 H GLY A 19 7.477 6.833 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.188 8.919 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.845 8.467 2.286 1.00 0.00 H new ATOM 306 N PRO A 20 9.675 9.941 0.165 1.00 0.00 N ATOM 307 CA PRO A 20 9.640 10.682 -1.084 1.00 0.00 C ATOM 308 C PRO A 20 9.952 9.777 -2.281 1.00 0.00 C ATOM 309 O PRO A 20 10.405 8.646 -2.131 1.00 0.00 O ATOM 310 CB PRO A 20 10.696 11.780 -0.919 1.00 0.00 C ATOM 311 CG PRO A 20 11.754 11.099 -0.057 1.00 0.00 C ATOM 312 CD PRO A 20 10.915 10.221 0.868 1.00 0.00 C ATOM 0 HA PRO A 20 8.652 11.096 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.101 12.101 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.287 12.666 -0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.447 10.509 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.350 11.822 0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.441 9.297 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.719 10.730 1.812 1.00 0.00 H new ATOM 320 N GLN A 21 9.726 10.358 -3.461 1.00 0.00 N ATOM 321 CA GLN A 21 9.968 9.892 -4.832 1.00 0.00 C ATOM 322 C GLN A 21 10.468 8.435 -4.914 1.00 0.00 C ATOM 323 O GLN A 21 11.653 8.204 -5.165 1.00 0.00 O ATOM 324 CB GLN A 21 10.924 10.861 -5.563 1.00 0.00 C ATOM 325 CG GLN A 21 10.353 12.269 -5.810 1.00 0.00 C ATOM 326 CD GLN A 21 10.370 13.155 -4.566 1.00 0.00 C ATOM 327 OE1 GLN A 21 9.427 13.165 -3.783 1.00 0.00 O ATOM 328 NE2 GLN A 21 11.440 13.899 -4.335 1.00 0.00 N ATOM 0 H GLN A 21 9.314 11.291 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 21 9.002 9.892 -5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.840 10.953 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.199 10.423 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.927 12.753 -6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.328 12.180 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.221 13.886 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.483 14.485 -3.501 1.00 0.00 H new ATOM 337 N PRO A 22 9.584 7.443 -4.711 1.00 0.00 N ATOM 338 CA PRO A 22 9.971 6.044 -4.729 1.00 0.00 C ATOM 339 C PRO A 22 10.070 5.539 -6.175 1.00 0.00 C ATOM 340 O PRO A 22 9.780 6.257 -7.133 1.00 0.00 O ATOM 341 CB PRO A 22 8.871 5.350 -3.937 1.00 0.00 C ATOM 342 CG PRO A 22 7.632 6.141 -4.322 1.00 0.00 C ATOM 343 CD PRO A 22 8.165 7.571 -4.407 1.00 0.00 C ATOM 0 HA PRO A 22 10.952 5.854 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.780 4.298 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.059 5.389 -2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.216 5.806 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.842 6.046 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.648 8.137 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.012 8.103 -3.468 1.00 0.00 H new ATOM 351 N ASN A 23 10.390 4.255 -6.340 1.00 0.00 N ATOM 352 CA ASN A 23 10.411 3.570 -7.627 1.00 0.00 C ATOM 353 C ASN A 23 9.803 2.181 -7.437 1.00 0.00 C ATOM 354 O ASN A 23 9.671 1.701 -6.313 1.00 0.00 O ATOM 355 CB ASN A 23 11.837 3.470 -8.192 1.00 0.00 C ATOM 356 CG ASN A 23 12.683 2.509 -7.372 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.532 1.298 -7.478 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.526 3.031 -6.501 1.00 0.00 N ATOM 0 H ASN A 23 10.648 3.650 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 23 9.828 4.140 -8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.799 3.133 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.301 4.456 -8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.073 2.422 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.630 4.044 -6.436 1.00 0.00 H new ATOM 365 N GLU A 24 9.385 1.587 -8.551 1.00 0.00 N ATOM 366 CA GLU A 24 8.692 0.311 -8.693 1.00 0.00 C ATOM 367 C GLU A 24 9.222 -0.821 -7.798 1.00 0.00 C ATOM 368 O GLU A 24 8.416 -1.533 -7.189 1.00 0.00 O ATOM 369 CB GLU A 24 8.793 -0.027 -10.190 1.00 0.00 C ATOM 370 CG GLU A 24 8.123 -1.329 -10.654 1.00 0.00 C ATOM 371 CD GLU A 24 6.639 -1.114 -10.941 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.879 -0.739 -10.022 1.00 0.00 O ATOM 373 OE2 GLU A 24 6.193 -1.262 -12.099 1.00 0.00 O ATOM 0 H GLU A 24 9.537 2.027 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 24 7.661 0.406 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.359 0.798 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.849 -0.075 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.620 -1.697 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.241 -2.095 -9.887 1.00 0.00 H new ATOM 380 N ASP A 25 10.544 -0.962 -7.650 1.00 0.00 N ATOM 381 CA ASP A 25 11.116 -1.955 -6.738 1.00 0.00 C ATOM 382 C ASP A 25 10.858 -1.528 -5.310 1.00 0.00 C ATOM 383 O ASP A 25 10.236 -2.262 -4.545 1.00 0.00 O ATOM 384 CB ASP A 25 12.624 -2.166 -6.921 1.00 0.00 C ATOM 385 CG ASP A 25 13.140 -2.998 -5.738 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.835 -4.209 -5.694 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.732 -2.385 -4.818 1.00 0.00 O ATOM 0 H ASP A 25 11.235 -0.402 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 25 10.630 -2.902 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.825 -2.678 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.139 -1.207 -6.964 1.00 0.00 H new ATOM 392 N THR A 26 11.300 -0.324 -4.954 1.00 0.00 N ATOM 393 CA THR A 26 11.237 0.161 -3.591 1.00 0.00 C ATOM 394 C THR A 26 9.802 0.121 -3.061 1.00 0.00 C ATOM 395 O THR A 26 9.610 -0.251 -1.906 1.00 0.00 O ATOM 396 CB THR A 26 11.907 1.538 -3.514 1.00 0.00 C ATOM 397 OG1 THR A 26 13.170 1.457 -4.155 1.00 0.00 O ATOM 398 CG2 THR A 26 12.166 1.987 -2.075 1.00 0.00 C ATOM 0 H THR A 26 11.712 0.339 -5.610 1.00 0.00 H new ATOM 0 HA THR A 26 11.796 -0.496 -2.925 1.00 0.00 H new ATOM 0 HB THR A 26 11.234 2.253 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.685 2.269 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.642 2.968 -2.080 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.220 2.045 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.821 1.269 -1.582 1.00 0.00 H new ATOM 406 N VAL A 27 8.784 0.410 -3.878 1.00 0.00 N ATOM 407 CA VAL A 27 7.402 0.249 -3.433 1.00 0.00 C ATOM 408 C VAL A 27 7.111 -1.240 -3.209 1.00 0.00 C ATOM 409 O VAL A 27 6.556 -1.592 -2.170 1.00 0.00 O ATOM 410 CB VAL A 27 6.378 0.883 -4.396 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.993 0.859 -3.724 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.701 2.343 -4.735 1.00 0.00 C ATOM 0 H VAL A 27 8.890 0.750 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 27 7.291 0.789 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 27 6.405 0.305 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.256 1.304 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.711 -0.172 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.030 1.427 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.945 2.734 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.707 2.936 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.681 2.398 -5.210 1.00 0.00 H new ATOM 422 N THR A 28 7.471 -2.118 -4.147 1.00 0.00 N ATOM 423 CA THR A 28 7.247 -3.556 -4.042 1.00 0.00 C ATOM 424 C THR A 28 7.866 -4.125 -2.755 1.00 0.00 C ATOM 425 O THR A 28 7.164 -4.801 -1.985 1.00 0.00 O ATOM 426 CB THR A 28 7.760 -4.241 -5.326 1.00 0.00 C ATOM 427 OG1 THR A 28 7.057 -3.722 -6.437 1.00 0.00 O ATOM 428 CG2 THR A 28 7.536 -5.757 -5.311 1.00 0.00 C ATOM 0 H THR A 28 7.933 -1.843 -5.013 1.00 0.00 H new ATOM 0 HA THR A 28 6.180 -3.762 -3.962 1.00 0.00 H new ATOM 0 HB THR A 28 8.831 -4.046 -5.387 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.613 -3.058 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.915 -6.190 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.064 -6.194 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.470 -5.966 -5.222 1.00 0.00 H new ATOM 436 N GLN A 29 9.147 -3.857 -2.485 1.00 0.00 N ATOM 437 CA GLN A 29 9.814 -4.365 -1.291 1.00 0.00 C ATOM 438 C GLN A 29 9.251 -3.686 -0.037 1.00 0.00 C ATOM 439 O GLN A 29 8.840 -4.378 0.904 1.00 0.00 O ATOM 440 CB GLN A 29 11.349 -4.272 -1.389 1.00 0.00 C ATOM 441 CG GLN A 29 11.960 -2.913 -1.750 1.00 0.00 C ATOM 442 CD GLN A 29 13.399 -2.798 -1.256 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.636 -2.802 -0.051 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.367 -2.677 -2.145 1.00 0.00 N ATOM 0 H GLN A 29 9.743 -3.286 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 29 9.599 -5.431 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.765 -4.583 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.682 -4.997 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.933 -2.777 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.359 -2.115 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.147 -2.676 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.335 -2.584 -1.836 1.00 0.00 H new ATOM 453 N ALA A 30 9.156 -2.350 -0.025 1.00 0.00 N ATOM 454 CA ALA A 30 8.709 -1.615 1.147 1.00 0.00 C ATOM 455 C ALA A 30 7.295 -2.027 1.523 1.00 0.00 C ATOM 456 O ALA A 30 7.026 -2.118 2.713 1.00 0.00 O ATOM 457 CB ALA A 30 8.777 -0.096 0.947 1.00 0.00 C ATOM 0 H ALA A 30 9.387 -1.760 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 30 9.391 -1.867 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.432 0.406 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.806 0.198 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.141 0.189 0.109 1.00 0.00 H new ATOM 463 N ALA A 31 6.412 -2.303 0.556 1.00 0.00 N ATOM 464 CA ALA A 31 5.035 -2.723 0.775 1.00 0.00 C ATOM 465 C ALA A 31 4.946 -4.186 1.189 1.00 0.00 C ATOM 466 O ALA A 31 4.257 -4.493 2.157 1.00 0.00 O ATOM 467 CB ALA A 31 4.206 -2.514 -0.495 1.00 0.00 C ATOM 0 H ALA A 31 6.651 -2.236 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 31 4.640 -2.110 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.179 -2.833 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.216 -1.458 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.632 -3.102 -1.308 1.00 0.00 H new ATOM 473 N SER A 32 5.597 -5.122 0.500 1.00 0.00 N ATOM 474 CA SER A 32 5.499 -6.524 0.918 1.00 0.00 C ATOM 475 C SER A 32 5.960 -6.690 2.373 1.00 0.00 C ATOM 476 O SER A 32 5.339 -7.438 3.136 1.00 0.00 O ATOM 477 CB SER A 32 6.243 -7.428 -0.072 1.00 0.00 C ATOM 478 OG SER A 32 7.546 -6.963 -0.336 1.00 0.00 O ATOM 0 H SER A 32 6.178 -4.949 -0.320 1.00 0.00 H new ATOM 0 HA SER A 32 4.456 -6.840 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.294 -8.440 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.682 -7.483 -1.005 1.00 0.00 H new ATOM 0 HG SER A 32 7.507 -6.233 -0.989 1.00 0.00 H new ATOM 484 N GLN A 33 6.908 -5.860 2.809 1.00 0.00 N ATOM 485 CA GLN A 33 7.373 -5.783 4.179 1.00 0.00 C ATOM 486 C GLN A 33 6.599 -4.753 5.019 1.00 0.00 C ATOM 487 O GLN A 33 6.721 -4.792 6.246 1.00 0.00 O ATOM 488 CB GLN A 33 8.907 -5.780 4.252 1.00 0.00 C ATOM 489 CG GLN A 33 9.489 -7.117 3.722 1.00 0.00 C ATOM 490 CD GLN A 33 8.994 -8.349 4.504 1.00 0.00 C ATOM 491 OE1 GLN A 33 8.050 -9.043 4.106 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.555 -8.588 5.680 1.00 0.00 N ATOM 0 H GLN A 33 7.385 -5.204 2.191 1.00 0.00 H new ATOM 0 HA GLN A 33 7.113 -6.703 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.301 -4.950 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.226 -5.623 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.222 -7.231 2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.577 -7.077 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.333 -8.011 6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.209 -9.349 6.265 1.00 0.00 H new ATOM 501 N VAL A 34 5.864 -3.788 4.441 1.00 0.00 N ATOM 502 CA VAL A 34 5.003 -2.868 5.204 1.00 0.00 C ATOM 503 C VAL A 34 3.995 -3.772 5.903 1.00 0.00 C ATOM 504 O VAL A 34 3.738 -3.633 7.094 1.00 0.00 O ATOM 505 CB VAL A 34 4.227 -1.802 4.372 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.896 -2.132 3.657 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.961 -0.577 5.222 1.00 0.00 C ATOM 0 H VAL A 34 5.850 -3.624 3.434 1.00 0.00 H new ATOM 0 HA VAL A 34 5.640 -2.276 5.861 1.00 0.00 H new ATOM 0 HB VAL A 34 4.930 -1.687 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.532 -1.245 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.059 -2.932 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.158 -2.452 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.419 0.163 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.365 -0.859 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.908 -0.153 5.555 1.00 0.00 H new ATOM 517 N CYS A 35 3.516 -4.778 5.169 1.00 0.00 N ATOM 518 CA CYS A 35 2.535 -5.721 5.625 1.00 0.00 C ATOM 519 C CYS A 35 3.145 -6.588 6.694 1.00 0.00 C ATOM 520 O CYS A 35 2.525 -6.831 7.718 1.00 0.00 O ATOM 521 CB CYS A 35 2.186 -6.653 4.467 1.00 0.00 C ATOM 522 SG CYS A 35 1.502 -5.912 2.985 1.00 0.00 S ATOM 0 H CYS A 35 3.821 -4.951 4.211 1.00 0.00 H new ATOM 0 HA CYS A 35 1.662 -5.184 5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.090 -7.194 4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.473 -7.392 4.833 1.00 0.00 H new ATOM 527 N ASP A 36 4.312 -7.149 6.393 1.00 0.00 N ATOM 528 CA ASP A 36 5.010 -8.037 7.305 1.00 0.00 C ATOM 529 C ASP A 36 5.178 -7.410 8.699 1.00 0.00 C ATOM 530 O ASP A 36 4.961 -8.045 9.727 1.00 0.00 O ATOM 531 CB ASP A 36 6.324 -8.445 6.671 1.00 0.00 C ATOM 532 CG ASP A 36 6.820 -9.741 7.287 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.040 -10.721 7.159 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.971 -9.796 7.747 1.00 0.00 O ATOM 0 H ASP A 36 4.797 -6.998 5.509 1.00 0.00 H new ATOM 0 HA ASP A 36 4.416 -8.935 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.195 -8.570 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.065 -7.659 6.813 1.00 0.00 H new ATOM 539 N LYS A 37 5.513 -6.116 8.692 1.00 0.00 N ATOM 540 CA LYS A 37 5.756 -5.221 9.821 1.00 0.00 C ATOM 541 C LYS A 37 4.442 -4.841 10.516 1.00 0.00 C ATOM 542 O LYS A 37 4.400 -4.730 11.746 1.00 0.00 O ATOM 543 CB LYS A 37 6.511 -4.021 9.229 1.00 0.00 C ATOM 544 CG LYS A 37 7.064 -2.963 10.185 1.00 0.00 C ATOM 545 CD LYS A 37 7.732 -1.797 9.428 1.00 0.00 C ATOM 546 CE LYS A 37 8.935 -2.193 8.549 1.00 0.00 C ATOM 547 NZ LYS A 37 8.560 -2.639 7.181 1.00 0.00 N ATOM 0 H LYS A 37 5.632 -5.624 7.807 1.00 0.00 H new ATOM 0 HA LYS A 37 6.349 -5.686 10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.346 -4.410 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.841 -3.519 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.256 -2.577 10.806 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.789 -3.423 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.983 -1.317 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.061 -1.054 10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.611 -1.342 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.486 -2.993 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.341 -2.438 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.369 -3.661 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.707 -2.130 6.872 1.00 0.00 H new ATOM 561 N LEU A 38 3.370 -4.624 9.749 1.00 0.00 N ATOM 562 CA LEU A 38 2.041 -4.308 10.254 1.00 0.00 C ATOM 563 C LEU A 38 1.485 -5.603 10.845 1.00 0.00 C ATOM 564 O LEU A 38 0.871 -6.419 10.156 1.00 0.00 O ATOM 565 CB LEU A 38 1.112 -3.814 9.121 1.00 0.00 C ATOM 566 CG LEU A 38 1.272 -2.340 8.699 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.585 -2.119 7.344 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.648 -1.386 9.727 1.00 0.00 C ATOM 0 H LEU A 38 3.409 -4.666 8.731 1.00 0.00 H new ATOM 0 HA LEU A 38 2.097 -3.511 10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.278 -4.441 8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.079 -3.970 9.433 1.00 0.00 H new ATOM 0 HG LEU A 38 2.339 -2.128 8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.698 -1.077 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.044 -2.764 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.475 -2.359 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.781 -0.356 9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.416 -1.602 9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.136 -1.522 10.692 1.00 0.00 H new ATOM 580 N LYS A 39 1.617 -5.766 12.162 1.00 0.00 N ATOM 581 CA LYS A 39 1.167 -6.997 12.806 1.00 0.00 C ATOM 582 C LYS A 39 -0.354 -6.890 12.919 1.00 0.00 C ATOM 583 O LYS A 39 -0.901 -5.790 12.838 1.00 0.00 O ATOM 584 CB LYS A 39 1.882 -7.238 14.153 1.00 0.00 C ATOM 585 CG LYS A 39 1.674 -6.207 15.285 1.00 0.00 C ATOM 586 CD LYS A 39 2.411 -4.859 15.155 1.00 0.00 C ATOM 587 CE LYS A 39 3.942 -4.960 15.006 1.00 0.00 C ATOM 588 NZ LYS A 39 4.618 -5.448 16.235 1.00 0.00 N ATOM 0 H LYS A 39 2.024 -5.075 12.792 1.00 0.00 H new ATOM 0 HA LYS A 39 1.427 -7.877 12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.567 -8.212 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.952 -7.304 13.955 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.606 -6.002 15.363 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.979 -6.670 16.224 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.012 -4.327 14.291 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.187 -4.254 16.034 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.177 -5.630 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.341 -3.980 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.644 -5.494 16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.421 -4.796 17.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.263 -6.396 16.474 1.00 0.00 H new ATOM 602 N ILE A 40 -1.032 -8.033 13.071 1.00 0.00 N ATOM 603 CA ILE A 40 -2.493 -8.196 13.058 1.00 0.00 C ATOM 604 C ILE A 40 -2.922 -8.087 11.587 1.00 0.00 C ATOM 605 O ILE A 40 -3.377 -9.063 10.997 1.00 0.00 O ATOM 606 CB ILE A 40 -3.270 -7.246 14.019 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.839 -7.509 15.480 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.796 -7.404 13.848 1.00 0.00 C ATOM 609 CD1 ILE A 40 -3.379 -6.482 16.483 1.00 0.00 C ATOM 0 H ILE A 40 -0.550 -8.920 13.215 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.759 -9.171 13.467 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.023 -6.215 13.764 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.177 -8.502 15.775 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.750 -7.515 15.532 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.311 -6.729 14.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.074 -7.163 12.822 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.082 -8.432 14.070 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.033 -6.735 17.485 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.020 -5.488 16.215 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.469 -6.491 16.462 1.00 0.00 H new ATOM 621 N LEU A 41 -2.647 -6.956 10.933 1.00 0.00 N ATOM 622 CA LEU A 41 -3.109 -6.660 9.581 1.00 0.00 C ATOM 623 C LEU A 41 -2.199 -7.275 8.496 1.00 0.00 C ATOM 624 O LEU A 41 -2.431 -7.058 7.305 1.00 0.00 O ATOM 625 CB LEU A 41 -3.207 -5.123 9.478 1.00 0.00 C ATOM 626 CG LEU A 41 -4.123 -4.566 8.372 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.592 -4.961 8.586 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.042 -3.034 8.391 1.00 0.00 C ATOM 0 H LEU A 41 -2.086 -6.208 11.339 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.082 -7.116 9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.556 -4.738 10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.204 -4.727 9.322 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.786 -4.981 7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.201 -4.547 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.681 -6.047 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.938 -4.570 9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.686 -2.626 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.369 -2.664 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.013 -2.722 8.211 1.00 0.00 H new ATOM 640 N ARG A 42 -1.236 -8.130 8.873 1.00 0.00 N ATOM 641 CA ARG A 42 -0.249 -8.744 7.978 1.00 0.00 C ATOM 642 C ARG A 42 -0.941 -9.541 6.884 1.00 0.00 C ATOM 643 O ARG A 42 -0.586 -9.374 5.719 1.00 0.00 O ATOM 644 CB ARG A 42 0.747 -9.609 8.789 1.00 0.00 C ATOM 645 CG ARG A 42 1.736 -10.359 7.876 1.00 0.00 C ATOM 646 CD ARG A 42 3.066 -10.767 8.531 1.00 0.00 C ATOM 647 NE ARG A 42 3.032 -11.960 9.396 1.00 0.00 N ATOM 648 CZ ARG A 42 4.138 -12.629 9.783 1.00 0.00 C ATOM 649 NH1 ARG A 42 5.349 -12.309 9.324 1.00 0.00 N ATOM 650 NH2 ARG A 42 4.027 -13.640 10.644 1.00 0.00 N ATOM 0 H ARG A 42 -1.121 -8.422 9.844 1.00 0.00 H new ATOM 0 HA ARG A 42 0.325 -7.958 7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.301 -8.973 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.194 -10.328 9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.246 -11.257 7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.954 -9.730 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.797 -10.939 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.427 -9.926 9.123 1.00 0.00 H new ATOM 0 HE ARG A 42 2.125 -12.297 9.719 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.457 -11.540 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.167 -12.833 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.110 -13.903 11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.859 -14.150 10.941 1.00 0.00 H new ATOM 664 N GLY A 43 -1.909 -10.388 7.237 1.00 0.00 N ATOM 665 CA GLY A 43 -2.641 -11.191 6.266 1.00 0.00 C ATOM 666 C GLY A 43 -3.395 -10.322 5.260 1.00 0.00 C ATOM 667 O GLY A 43 -3.315 -10.558 4.056 1.00 0.00 O ATOM 0 H GLY A 43 -2.204 -10.534 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.946 -11.841 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.347 -11.838 6.788 1.00 0.00 H new ATOM 671 N LEU A 44 -4.110 -9.304 5.752 1.00 0.00 N ATOM 672 CA LEU A 44 -4.987 -8.449 4.960 1.00 0.00 C ATOM 673 C LEU A 44 -4.122 -7.699 3.947 1.00 0.00 C ATOM 674 O LEU A 44 -4.378 -7.740 2.743 1.00 0.00 O ATOM 675 CB LEU A 44 -5.736 -7.518 5.945 1.00 0.00 C ATOM 676 CG LEU A 44 -7.056 -6.860 5.498 1.00 0.00 C ATOM 677 CD1 LEU A 44 -6.936 -5.977 4.259 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.167 -7.894 5.293 1.00 0.00 C ATOM 0 H LEU A 44 -4.091 -9.049 6.739 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.736 -9.003 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.945 -8.094 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.050 -6.719 6.228 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.320 -6.200 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.912 -5.556 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.230 -5.170 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.580 -6.574 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.080 -7.389 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.864 -8.607 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.349 -8.423 6.228 1.00 0.00 H new ATOM 690 N CYS A 45 -3.045 -7.086 4.440 1.00 0.00 N ATOM 691 CA CYS A 45 -2.042 -6.411 3.654 1.00 0.00 C ATOM 692 C CYS A 45 -1.420 -7.350 2.618 1.00 0.00 C ATOM 693 O CYS A 45 -1.500 -7.051 1.430 1.00 0.00 O ATOM 694 CB CYS A 45 -1.000 -5.834 4.609 1.00 0.00 C ATOM 695 SG CYS A 45 0.146 -4.690 3.815 1.00 0.00 S ATOM 0 H CYS A 45 -2.851 -7.052 5.441 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.496 -5.600 3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.510 -5.319 5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.434 -6.652 5.055 1.00 0.00 H new ATOM 700 N LYS A 46 -0.800 -8.469 3.025 1.00 0.00 N ATOM 701 CA LYS A 46 -0.147 -9.382 2.078 1.00 0.00 C ATOM 702 C LYS A 46 -1.131 -9.847 1.001 1.00 0.00 C ATOM 703 O LYS A 46 -0.719 -9.921 -0.159 1.00 0.00 O ATOM 704 CB LYS A 46 0.693 -10.501 2.750 1.00 0.00 C ATOM 705 CG LYS A 46 2.073 -9.926 3.147 1.00 0.00 C ATOM 706 CD LYS A 46 3.096 -10.824 3.873 1.00 0.00 C ATOM 707 CE LYS A 46 4.474 -10.111 3.839 1.00 0.00 C ATOM 708 NZ LYS A 46 5.645 -10.847 4.394 1.00 0.00 N ATOM 0 H LYS A 46 -0.738 -8.761 4.000 1.00 0.00 H new ATOM 0 HA LYS A 46 0.621 -8.815 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.176 -10.882 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.818 -11.340 2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.548 -9.562 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.894 -9.058 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.784 -11.001 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.159 -11.798 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.696 -9.859 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.379 -9.171 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.520 -10.336 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.553 -10.917 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.681 -11.802 3.984 1.00 0.00 H new ATOM 722 N LYS A 47 -2.408 -10.117 1.321 1.00 0.00 N ATOM 723 CA LYS A 47 -3.383 -10.430 0.274 1.00 0.00 C ATOM 724 C LYS A 47 -3.513 -9.252 -0.678 1.00 0.00 C ATOM 725 O LYS A 47 -3.385 -9.480 -1.877 1.00 0.00 O ATOM 726 CB LYS A 47 -4.746 -10.866 0.851 1.00 0.00 C ATOM 727 CG LYS A 47 -5.746 -11.381 -0.216 1.00 0.00 C ATOM 728 CD LYS A 47 -6.599 -10.294 -0.908 1.00 0.00 C ATOM 729 CE LYS A 47 -7.713 -10.872 -1.803 1.00 0.00 C ATOM 730 NZ LYS A 47 -7.231 -11.427 -3.094 1.00 0.00 N ATOM 0 H LYS A 47 -2.778 -10.124 2.271 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.015 -11.288 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.582 -11.651 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.193 -10.022 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.188 -11.922 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.417 -12.099 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.048 -9.655 -0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.949 -9.661 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.233 -11.657 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.443 -10.088 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.977 -12.014 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.993 -10.647 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.385 -12.009 -2.928 1.00 0.00 H new ATOM 744 N ILE A 48 -3.800 -8.038 -0.195 1.00 0.00 N ATOM 745 CA ILE A 48 -3.993 -6.864 -1.051 1.00 0.00 C ATOM 746 C ILE A 48 -2.771 -6.691 -1.956 1.00 0.00 C ATOM 747 O ILE A 48 -2.939 -6.601 -3.171 1.00 0.00 O ATOM 748 CB ILE A 48 -4.336 -5.609 -0.201 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.807 -5.725 0.267 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.124 -4.286 -0.969 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.284 -4.589 1.182 1.00 0.00 C ATOM 0 H ILE A 48 -3.905 -7.843 0.801 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.853 -7.009 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.656 -5.579 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.451 -5.759 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.933 -6.672 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.380 -3.446 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.080 -4.205 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.762 -4.272 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.325 -4.757 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.670 -4.565 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.196 -3.638 0.657 1.00 0.00 H new ATOM 763 N MET A 49 -1.562 -6.703 -1.391 1.00 0.00 N ATOM 764 CA MET A 49 -0.329 -6.529 -2.148 1.00 0.00 C ATOM 765 C MET A 49 -0.194 -7.615 -3.207 1.00 0.00 C ATOM 766 O MET A 49 0.004 -7.268 -4.362 1.00 0.00 O ATOM 767 CB MET A 49 0.893 -6.477 -1.218 1.00 0.00 C ATOM 768 CG MET A 49 0.856 -5.270 -0.274 1.00 0.00 C ATOM 769 SD MET A 49 0.570 -3.661 -1.054 1.00 0.00 S ATOM 770 CE MET A 49 0.265 -2.666 0.429 1.00 0.00 C ATOM 0 H MET A 49 -1.414 -6.835 -0.390 1.00 0.00 H new ATOM 0 HA MET A 49 -0.374 -5.570 -2.664 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.938 -7.394 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.802 -6.438 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.074 -5.437 0.466 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.802 -5.227 0.266 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.538 -1.629 0.234 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.791 -2.720 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.865 -3.050 1.254 1.00 0.00 H new ATOM 780 N ARG A 50 -0.330 -8.913 -2.899 1.00 0.00 N ATOM 781 CA ARG A 50 -0.180 -9.920 -3.960 1.00 0.00 C ATOM 782 C ARG A 50 -1.251 -9.748 -5.032 1.00 0.00 C ATOM 783 O ARG A 50 -0.960 -9.878 -6.215 1.00 0.00 O ATOM 784 CB ARG A 50 -0.215 -11.339 -3.375 1.00 0.00 C ATOM 785 CG ARG A 50 0.086 -12.461 -4.394 1.00 0.00 C ATOM 786 CD ARG A 50 1.393 -12.278 -5.189 1.00 0.00 C ATOM 787 NE ARG A 50 1.680 -13.437 -6.061 1.00 0.00 N ATOM 788 CZ ARG A 50 2.596 -13.488 -7.043 1.00 0.00 C ATOM 789 NH1 ARG A 50 3.356 -12.429 -7.322 1.00 0.00 N ATOM 790 NH2 ARG A 50 2.753 -14.608 -7.747 1.00 0.00 N ATOM 0 H ARG A 50 -0.534 -9.279 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 50 0.792 -9.771 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.508 -11.401 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.199 -11.515 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.130 -13.412 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.744 -12.526 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.324 -11.376 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.221 -12.133 -4.496 1.00 0.00 H new ATOM 0 HE ARG A 50 1.129 -14.280 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.246 -11.567 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.048 -12.480 -8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.178 -15.425 -7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.448 -14.648 -8.493 1.00 0.00 H new ATOM 804 N SER A 51 -2.480 -9.499 -4.596 1.00 0.00 N ATOM 805 CA SER A 51 -3.659 -9.415 -5.443 1.00 0.00 C ATOM 806 C SER A 51 -3.634 -8.199 -6.375 1.00 0.00 C ATOM 807 O SER A 51 -4.199 -8.287 -7.461 1.00 0.00 O ATOM 808 CB SER A 51 -4.889 -9.359 -4.523 1.00 0.00 C ATOM 809 OG SER A 51 -6.105 -9.729 -5.146 1.00 0.00 O ATOM 0 H SER A 51 -2.688 -9.345 -3.609 1.00 0.00 H new ATOM 0 HA SER A 51 -3.689 -10.290 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.719 -10.015 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.989 -8.346 -4.132 1.00 0.00 H new ATOM 0 HG SER A 51 -6.081 -9.469 -6.091 1.00 0.00 H new ATOM 815 N PHE A 52 -3.020 -7.080 -5.977 1.00 0.00 N ATOM 816 CA PHE A 52 -3.054 -5.827 -6.724 1.00 0.00 C ATOM 817 C PHE A 52 -1.698 -5.109 -6.651 1.00 0.00 C ATOM 818 O PHE A 52 -1.673 -3.882 -6.609 1.00 0.00 O ATOM 819 CB PHE A 52 -4.172 -4.928 -6.140 1.00 0.00 C ATOM 820 CG PHE A 52 -5.563 -5.515 -5.978 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.246 -6.062 -7.082 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.196 -5.475 -4.720 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.551 -6.561 -6.928 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.506 -5.960 -4.570 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.187 -6.496 -5.676 1.00 0.00 C ATOM 0 H PHE A 52 -2.479 -7.023 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.260 -6.039 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.842 -4.583 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.256 -4.047 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.766 -6.098 -8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.672 -5.070 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.066 -6.995 -7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.989 -5.921 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.198 -6.858 -5.564 1.00 0.00 H new ATOM 835 N LEU A 53 -0.565 -5.814 -6.750 1.00 0.00 N ATOM 836 CA LEU A 53 0.764 -5.223 -6.543 1.00 0.00 C ATOM 837 C LEU A 53 0.987 -4.068 -7.521 1.00 0.00 C ATOM 838 O LEU A 53 1.188 -2.930 -7.102 1.00 0.00 O ATOM 839 CB LEU A 53 1.864 -6.299 -6.684 1.00 0.00 C ATOM 840 CG LEU A 53 3.209 -5.960 -5.996 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.666 -4.504 -6.088 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.130 -6.315 -4.506 1.00 0.00 C ATOM 0 H LEU A 53 -0.543 -6.809 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 53 0.819 -4.824 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.489 -7.236 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.049 -6.470 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 53 3.941 -6.551 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.618 -4.388 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.786 -4.226 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.920 -3.859 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.078 -6.075 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.330 -5.742 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.926 -7.380 -4.396 1.00 0.00 H new ATOM 854 N ARG A 54 0.906 -4.345 -8.827 1.00 0.00 N ATOM 855 CA ARG A 54 1.084 -3.360 -9.898 1.00 0.00 C ATOM 856 C ARG A 54 0.207 -2.134 -9.604 1.00 0.00 C ATOM 857 O ARG A 54 0.649 -1.001 -9.798 1.00 0.00 O ATOM 858 CB ARG A 54 0.739 -4.041 -11.245 1.00 0.00 C ATOM 859 CG ARG A 54 1.294 -3.454 -12.562 1.00 0.00 C ATOM 860 CD ARG A 54 0.916 -2.025 -12.998 1.00 0.00 C ATOM 861 NE ARG A 54 1.701 -0.992 -12.306 1.00 0.00 N ATOM 862 CZ ARG A 54 3.029 -0.825 -12.339 1.00 0.00 C ATOM 863 NH1 ARG A 54 3.784 -1.408 -13.261 1.00 0.00 N ATOM 864 NH2 ARG A 54 3.602 -0.096 -11.397 1.00 0.00 N ATOM 0 H ARG A 54 0.710 -5.283 -9.176 1.00 0.00 H new ATOM 0 HA ARG A 54 2.114 -3.007 -9.957 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.075 -5.076 -11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.347 -4.063 -11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.381 -3.495 -12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.995 -4.126 -13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.063 -1.927 -14.074 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.144 -1.860 -12.805 1.00 0.00 H new ATOM 0 HE ARG A 54 1.175 -0.328 -11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.355 -2.002 -13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.793 -1.262 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.034 0.327 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.612 0.044 -11.404 1.00 0.00 H new ATOM 878 N ARG A 55 -1.027 -2.322 -9.110 1.00 0.00 N ATOM 879 CA ARG A 55 -1.881 -1.220 -8.754 1.00 0.00 C ATOM 880 C ARG A 55 -1.273 -0.428 -7.593 1.00 0.00 C ATOM 881 O ARG A 55 -1.091 0.776 -7.724 1.00 0.00 O ATOM 882 CB ARG A 55 -3.295 -1.676 -8.458 1.00 0.00 C ATOM 883 CG ARG A 55 -3.961 -2.243 -9.719 1.00 0.00 C ATOM 884 CD ARG A 55 -5.468 -2.000 -9.743 1.00 0.00 C ATOM 885 NE ARG A 55 -5.868 -0.735 -10.394 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.129 -0.310 -10.599 1.00 0.00 C ATOM 887 NH1 ARG A 55 -8.172 -1.063 -10.251 1.00 0.00 N ATOM 888 NH2 ARG A 55 -7.346 0.894 -11.122 1.00 0.00 N ATOM 0 H ARG A 55 -1.442 -3.241 -8.954 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.950 -0.552 -9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.281 -2.435 -7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.880 -0.838 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.509 -1.789 -10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.768 -3.314 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.950 -2.830 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.841 -2.002 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.117 -0.126 -10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.021 -1.976 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.121 -0.726 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.558 1.493 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.301 1.218 -11.278 1.00 0.00 H new ATOM 902 N ILE A 56 -0.957 -1.060 -6.462 1.00 0.00 N ATOM 903 CA ILE A 56 -0.472 -0.307 -5.304 1.00 0.00 C ATOM 904 C ILE A 56 0.814 0.445 -5.649 1.00 0.00 C ATOM 905 O ILE A 56 0.985 1.573 -5.186 1.00 0.00 O ATOM 906 CB ILE A 56 -0.325 -1.205 -4.056 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.626 -1.970 -3.714 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.106 -0.353 -2.849 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.921 -1.162 -3.874 1.00 0.00 C ATOM 0 H ILE A 56 -1.026 -2.068 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.221 0.441 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 56 0.437 -1.950 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.687 -2.853 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.561 -2.322 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.208 -0.991 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.062 0.125 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.647 0.412 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.775 -1.787 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.891 -0.293 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.019 -0.832 -4.908 1.00 0.00 H new ATOM 921 N SER A 57 1.633 -0.096 -6.553 1.00 0.00 N ATOM 922 CA SER A 57 2.826 0.594 -6.987 1.00 0.00 C ATOM 923 C SER A 57 2.426 1.828 -7.801 1.00 0.00 C ATOM 924 O SER A 57 2.852 2.917 -7.444 1.00 0.00 O ATOM 925 CB SER A 57 3.746 -0.371 -7.730 1.00 0.00 C ATOM 926 OG SER A 57 5.009 0.225 -7.857 1.00 0.00 O ATOM 0 H SER A 57 1.484 -1.005 -6.991 1.00 0.00 H new ATOM 0 HA SER A 57 3.401 0.955 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.825 -1.313 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.336 -0.603 -8.713 1.00 0.00 H new ATOM 0 HG SER A 57 5.445 -0.102 -8.672 1.00 0.00 H new ATOM 932 N TRP A 58 1.544 1.719 -8.809 1.00 0.00 N ATOM 933 CA TRP A 58 1.029 2.889 -9.541 1.00 0.00 C ATOM 934 C TRP A 58 0.521 3.952 -8.566 1.00 0.00 C ATOM 935 O TRP A 58 0.875 5.122 -8.690 1.00 0.00 O ATOM 936 CB TRP A 58 -0.062 2.481 -10.560 1.00 0.00 C ATOM 937 CG TRP A 58 -1.294 3.350 -10.692 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.346 4.637 -11.106 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.672 3.026 -10.339 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.653 5.093 -11.090 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.533 4.107 -10.685 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.274 1.945 -9.680 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.929 4.051 -10.473 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.628 1.918 -9.373 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.467 2.958 -9.764 1.00 0.00 C ATOM 0 H TRP A 58 1.171 0.828 -9.137 1.00 0.00 H new ATOM 0 HA TRP A 58 1.851 3.323 -10.110 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.408 2.422 -11.542 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.393 1.474 -10.305 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.491 5.224 -11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.932 6.040 -11.346 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.661 1.101 -9.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.573 4.833 -10.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -5.035 1.081 -8.825 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.520 2.928 -9.526 1.00 0.00 H new ATOM 956 N ASP A 59 -0.341 3.554 -7.635 1.00 0.00 N ATOM 957 CA ASP A 59 -0.914 4.428 -6.625 1.00 0.00 C ATOM 958 C ASP A 59 0.132 5.231 -5.852 1.00 0.00 C ATOM 959 O ASP A 59 0.010 6.454 -5.775 1.00 0.00 O ATOM 960 CB ASP A 59 -1.968 3.664 -5.794 1.00 0.00 C ATOM 961 CG ASP A 59 -3.310 3.597 -6.550 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.484 4.319 -7.551 1.00 0.00 O ATOM 963 OD2 ASP A 59 -4.358 2.838 -6.154 1.00 0.00 O ATOM 0 H ASP A 59 -0.666 2.590 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.469 5.228 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.612 2.655 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.110 4.159 -4.833 1.00 0.00 H new ATOM 969 N ILE A 60 1.128 4.576 -5.254 1.00 0.00 N ATOM 970 CA ILE A 60 2.251 5.254 -4.606 1.00 0.00 C ATOM 971 C ILE A 60 3.062 6.103 -5.603 1.00 0.00 C ATOM 972 O ILE A 60 3.369 7.248 -5.291 1.00 0.00 O ATOM 973 CB ILE A 60 3.081 4.243 -3.783 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.496 3.930 -2.385 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.520 4.701 -3.532 1.00 0.00 C ATOM 976 CD1 ILE A 60 0.994 3.681 -2.275 1.00 0.00 C ATOM 0 H ILE A 60 1.179 3.558 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 60 1.871 5.982 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 60 3.052 3.355 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.009 3.050 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.746 4.761 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.046 3.945 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.028 4.843 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.512 5.642 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.734 3.475 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.453 4.563 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.721 2.826 -2.893 1.00 0.00 H new ATOM 988 N LEU A 61 3.424 5.572 -6.777 1.00 0.00 N ATOM 989 CA LEU A 61 4.261 6.255 -7.774 1.00 0.00 C ATOM 990 C LEU A 61 3.597 7.549 -8.262 1.00 0.00 C ATOM 991 O LEU A 61 4.286 8.527 -8.524 1.00 0.00 O ATOM 992 CB LEU A 61 4.547 5.341 -8.985 1.00 0.00 C ATOM 993 CG LEU A 61 5.472 4.130 -8.724 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.307 3.105 -9.856 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.959 4.487 -8.638 1.00 0.00 C ATOM 0 H LEU A 61 3.138 4.637 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 61 5.203 6.501 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.596 4.969 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.991 5.947 -9.774 1.00 0.00 H new ATOM 0 HG LEU A 61 5.170 3.732 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.959 2.251 -9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.271 2.769 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.574 3.567 -10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.540 3.583 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.280 4.939 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.117 5.193 -7.823 1.00 0.00 H new ATOM 1007 N THR A 62 2.266 7.578 -8.370 1.00 0.00 N ATOM 1008 CA THR A 62 1.499 8.778 -8.720 1.00 0.00 C ATOM 1009 C THR A 62 1.228 9.670 -7.495 1.00 0.00 C ATOM 1010 O THR A 62 0.428 10.601 -7.578 1.00 0.00 O ATOM 1011 CB THR A 62 0.212 8.394 -9.485 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.561 7.384 -8.853 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.548 7.897 -10.896 1.00 0.00 C ATOM 0 H THR A 62 1.682 6.757 -8.215 1.00 0.00 H new ATOM 0 HA THR A 62 2.105 9.385 -9.393 1.00 0.00 H new ATOM 0 HB THR A 62 -0.379 9.310 -9.508 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.190 6.504 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.372 7.632 -11.417 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.063 8.685 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.192 7.020 -10.829 1.00 0.00 H new ATOM 1021 N GLY A 63 1.867 9.380 -6.356 1.00 0.00 N ATOM 1022 CA GLY A 63 1.689 9.998 -5.052 1.00 0.00 C ATOM 1023 C GLY A 63 0.226 10.273 -4.738 1.00 0.00 C ATOM 1024 O GLY A 63 -0.111 11.348 -4.238 1.00 0.00 O ATOM 0 H GLY A 63 2.577 8.648 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.107 9.347 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.248 10.933 -5.016 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.654 9.287 -4.935 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.074 9.492 -4.703 1.00 0.00 C ATOM 1030 C LYS A 64 -2.329 9.157 -3.237 1.00 0.00 C ATOM 1031 O LYS A 64 -1.684 8.287 -2.657 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.832 8.632 -5.723 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.358 8.813 -5.684 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.028 8.328 -6.983 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.461 6.972 -7.414 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.146 6.368 -8.566 1.00 0.00 N ATOM 0 H LYS A 64 -0.405 8.350 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.424 10.513 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.474 8.873 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.596 7.583 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.767 8.262 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.595 9.865 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.105 8.246 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.871 9.061 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.405 7.093 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.517 6.283 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.808 5.394 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.172 6.358 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.944 6.924 -9.421 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.226 9.900 -2.590 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.477 9.722 -1.157 1.00 0.00 C ATOM 1052 C LYS A 65 -4.230 8.420 -0.823 1.00 0.00 C ATOM 1053 O LYS A 65 -5.036 7.954 -1.625 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.084 11.000 -0.546 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.058 12.099 -0.180 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.058 12.605 -1.239 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.763 11.787 -1.429 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.100 11.681 -0.231 1.00 0.00 N ATOM 0 H LYS A 65 -3.789 10.627 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.515 9.579 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.804 11.416 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.639 10.728 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.621 12.963 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.476 11.731 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.574 12.649 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.778 13.626 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.032 10.782 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.184 12.237 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.032 11.312 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.213 12.621 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.338 11.036 0.457 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.132 7.928 0.427 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.660 6.650 0.900 1.00 0.00 C ATOM 1074 C PRO A 66 -6.168 6.512 0.777 1.00 0.00 C ATOM 1075 O PRO A 66 -6.645 5.577 0.146 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.201 6.514 2.363 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.797 7.925 2.757 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.264 8.463 1.447 1.00 0.00 C ATOM 0 HA PRO A 66 -4.276 5.848 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.002 6.136 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.366 5.820 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.642 8.506 3.125 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.040 7.931 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.274 9.553 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.232 8.152 1.286 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.937 7.386 1.428 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.391 7.262 1.414 1.00 0.00 C ATOM 1088 C GLN A 67 -8.960 7.376 -0.008 1.00 0.00 C ATOM 1089 O GLN A 67 -10.028 6.829 -0.266 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.996 8.248 2.423 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.417 7.846 2.848 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.856 8.589 4.109 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -10.166 8.563 5.129 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.994 9.263 4.077 1.00 0.00 N ATOM 0 H GLN A 67 -6.581 8.177 1.965 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.680 6.262 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.357 8.301 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.018 9.246 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.114 8.059 2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.454 6.771 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.555 9.276 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.310 9.770 4.904 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.226 8.006 -0.936 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.615 8.052 -2.334 1.00 0.00 C ATOM 1105 C ALA A 68 -8.256 6.712 -2.976 1.00 0.00 C ATOM 1106 O ALA A 68 -9.108 6.151 -3.651 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.921 9.214 -3.053 1.00 0.00 C ATOM 0 H ALA A 68 -7.353 8.492 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.689 8.221 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.227 9.229 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.201 10.155 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.840 9.086 -2.993 1.00 0.00 H new ATOM 1113 N ILE A 69 -7.064 6.158 -2.706 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.638 4.833 -3.177 1.00 0.00 C ATOM 1115 C ILE A 69 -7.711 3.764 -2.902 1.00 0.00 C ATOM 1116 O ILE A 69 -8.012 2.932 -3.757 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.231 4.480 -2.639 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.205 5.344 -3.398 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.919 2.980 -2.803 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.841 5.416 -2.707 1.00 0.00 C ATOM 0 H ILE A 69 -6.356 6.629 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.539 4.860 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.184 4.689 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.074 4.941 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.602 6.353 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.923 2.771 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.654 2.393 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.959 2.713 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.168 6.040 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.959 5.847 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.423 4.413 -2.621 1.00 0.00 H new ATOM 1132 N CYS A 70 -8.240 3.717 -1.684 1.00 0.00 N ATOM 1133 CA CYS A 70 -9.243 2.727 -1.314 1.00 0.00 C ATOM 1134 C CYS A 70 -10.514 2.822 -2.159 1.00 0.00 C ATOM 1135 O CYS A 70 -11.081 1.782 -2.482 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.549 2.880 0.177 1.00 0.00 C ATOM 1137 SG CYS A 70 -8.043 2.927 1.181 1.00 0.00 S ATOM 0 H CYS A 70 -7.988 4.358 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.839 1.734 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.120 3.795 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.177 2.051 0.505 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.979 4.026 -2.492 1.00 0.00 N ATOM 1143 CA VAL A 71 -12.123 4.203 -3.390 1.00 0.00 C ATOM 1144 C VAL A 71 -11.707 3.812 -4.823 1.00 0.00 C ATOM 1145 O VAL A 71 -12.359 2.997 -5.466 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.671 5.640 -3.235 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.861 5.959 -4.151 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -13.149 5.886 -1.787 1.00 0.00 C ATOM 0 H VAL A 71 -10.578 4.900 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.951 3.542 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.836 6.284 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.186 6.985 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.561 5.841 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.683 5.277 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.531 6.903 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.940 5.178 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.313 5.751 -1.100 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.564 4.323 -5.277 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.917 4.168 -6.583 1.00 0.00 C ATOM 1160 C ASP A 72 -9.795 2.729 -7.090 1.00 0.00 C ATOM 1161 O ASP A 72 -10.127 2.465 -8.246 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.555 4.849 -6.422 1.00 0.00 C ATOM 1163 CG ASP A 72 -7.511 4.640 -7.503 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -7.606 5.258 -8.583 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -6.458 4.043 -7.170 1.00 0.00 O ATOM 0 H ASP A 72 -10.004 4.924 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.533 4.623 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.729 5.921 -6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.126 4.514 -5.477 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.290 1.790 -6.282 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.258 0.364 -6.668 1.00 0.00 C ATOM 1172 C ILE A 73 -10.466 -0.461 -6.236 1.00 0.00 C ATOM 1173 O ILE A 73 -10.552 -1.629 -6.613 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.900 -0.278 -6.382 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.596 -0.334 -4.877 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.872 0.504 -7.210 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.102 -0.228 -4.603 1.00 0.00 C ATOM 0 H ILE A 73 -8.898 1.984 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.368 0.358 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.876 -1.327 -6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.118 0.477 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.977 -1.267 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.879 0.087 -7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.125 0.430 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.881 1.551 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.925 -0.271 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.583 -1.054 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.726 0.717 -4.995 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.376 0.148 -5.480 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.665 -0.343 -5.039 1.00 0.00 C ATOM 1191 C LYS A 74 -12.533 -1.281 -3.839 1.00 0.00 C ATOM 1192 O LYS A 74 -12.535 -2.505 -3.973 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.497 -0.879 -6.228 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.925 -0.968 -5.717 1.00 0.00 C ATOM 1195 CD LYS A 74 -16.036 -1.422 -6.654 1.00 0.00 C ATOM 1196 CE LYS A 74 -17.252 -1.932 -5.853 1.00 0.00 C ATOM 1197 NZ LYS A 74 -17.703 -1.002 -4.785 1.00 0.00 N ATOM 0 H LYS A 74 -11.205 1.091 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.253 0.489 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.429 -0.212 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.135 -1.855 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.923 -1.645 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.198 0.018 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.338 -0.594 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.667 -2.213 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.079 -2.109 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.001 -2.892 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.624 -1.316 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.006 -0.995 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.796 -0.043 -5.176 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.396 -0.693 -2.651 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.159 -1.369 -1.373 1.00 0.00 C ATOM 1213 C ILE A 75 -12.961 -0.699 -0.234 1.00 0.00 C ATOM 1214 O ILE A 75 -13.229 -1.325 0.795 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.625 -1.360 -1.108 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.867 -2.195 -2.173 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.256 -1.875 0.291 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.368 -2.395 -1.913 1.00 0.00 C ATOM 0 H ILE A 75 -12.450 0.320 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.508 -2.401 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.320 -0.315 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.339 -3.175 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.988 -1.711 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.174 -1.845 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.726 -1.245 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.606 -2.901 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.936 -2.991 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.873 -1.425 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.229 -2.911 -0.963 1.00 0.00 H new