USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 692 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 50 MET CE :methyl -157:sc= 0 (180deg=-0.0468) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 0.184 (180deg=0.136) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0.302 (180deg=0.276) USER MOD Single : A 14 CYS SG : rot -150:sc= -1.52 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.527 K(o=0.53,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 37 THR OG1 : rot -12:sc= 0.355 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 15:sc= 0 USER MOD Single : A 47 SER OG : rot 148:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.49) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.722 K(o=0.72,f=-6.4!) USER MOD Single : A 67 THR OG1 : rot 83:sc= 1.34 USER MOD Single : A 68 ASN : amide:sc= 0.262 K(o=0.26,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.401 F(o=-0.13,f=0.4) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.318 K(o=0.32,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.293 -1.118 -4.416 1.00 0.00 N ATOM 30 CA ASP A 3 -0.873 -1.413 -5.754 1.00 0.00 C ATOM 31 C ASP A 3 -2.438 -1.242 -5.740 1.00 0.00 C ATOM 32 O ASP A 3 -3.108 -2.055 -5.091 1.00 0.00 O ATOM 33 CB ASP A 3 -0.417 -2.846 -6.144 1.00 0.00 C ATOM 34 CG ASP A 3 -0.775 -3.245 -7.575 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.883 -3.665 -7.897 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.261 -3.053 -8.444 1.00 0.00 O ATOM 0 HA ASP A 3 -0.517 -0.709 -6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.663 -2.920 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.869 -3.560 -5.455 1.00 0.00 H new ATOM 41 N PRO A 4 -3.071 -0.272 -6.468 1.00 0.00 N ATOM 42 CA PRO A 4 -4.555 -0.142 -6.507 1.00 0.00 C ATOM 43 C PRO A 4 -5.383 -1.207 -7.304 1.00 0.00 C ATOM 44 O PRO A 4 -6.553 -1.410 -6.973 1.00 0.00 O ATOM 45 CB PRO A 4 -4.754 1.302 -7.000 1.00 0.00 C ATOM 46 CG PRO A 4 -3.465 1.742 -7.684 1.00 0.00 C ATOM 47 CD PRO A 4 -2.363 0.796 -7.201 1.00 0.00 C ATOM 0 HA PRO A 4 -4.970 -0.353 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.593 1.357 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.988 1.962 -6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.567 1.695 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.226 2.775 -7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.796 0.391 -8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.653 1.314 -6.556 1.00 0.00 H new ATOM 55 N ALA A 5 -4.807 -1.914 -8.296 1.00 0.00 N ATOM 56 CA ALA A 5 -5.439 -3.122 -8.906 1.00 0.00 C ATOM 57 C ALA A 5 -5.595 -4.355 -7.950 1.00 0.00 C ATOM 58 O ALA A 5 -6.686 -4.929 -7.862 1.00 0.00 O ATOM 59 CB ALA A 5 -4.646 -3.453 -10.185 1.00 0.00 C ATOM 0 H ALA A 5 -3.901 -1.676 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.477 -2.884 -9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.077 -4.333 -10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.693 -2.608 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.606 -3.653 -9.927 1.00 0.00 H new ATOM 65 N ALA A 6 -4.548 -4.725 -7.183 1.00 0.00 N ATOM 66 CA ALA A 6 -4.706 -5.547 -5.950 1.00 0.00 C ATOM 67 C ALA A 6 -5.614 -4.935 -4.827 1.00 0.00 C ATOM 68 O ALA A 6 -6.429 -5.656 -4.249 1.00 0.00 O ATOM 69 CB ALA A 6 -3.288 -5.868 -5.446 1.00 0.00 C ATOM 0 H ALA A 6 -3.582 -4.471 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.258 -6.449 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.352 -6.471 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.746 -6.421 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.761 -4.939 -5.227 1.00 0.00 H new ATOM 75 N GLY A 7 -5.522 -3.617 -4.558 1.00 0.00 N ATOM 76 CA GLY A 7 -6.489 -2.883 -3.698 1.00 0.00 C ATOM 77 C GLY A 7 -7.997 -2.947 -4.020 1.00 0.00 C ATOM 78 O GLY A 7 -8.789 -3.085 -3.091 1.00 0.00 O ATOM 0 H GLY A 7 -4.777 -3.026 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.358 -3.244 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.199 -1.832 -3.704 1.00 0.00 H new ATOM 82 N GLU A 8 -8.395 -2.892 -5.301 1.00 0.00 N ATOM 83 CA GLU A 8 -9.774 -3.253 -5.754 1.00 0.00 C ATOM 84 C GLU A 8 -10.250 -4.692 -5.336 1.00 0.00 C ATOM 85 O GLU A 8 -11.345 -4.842 -4.789 1.00 0.00 O ATOM 86 CB GLU A 8 -9.828 -3.004 -7.292 1.00 0.00 C ATOM 87 CG GLU A 8 -11.236 -2.878 -7.931 1.00 0.00 C ATOM 88 CD GLU A 8 -12.055 -4.165 -8.041 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.694 -5.158 -8.667 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.235 -4.088 -7.365 1.00 0.00 O ATOM 0 H GLU A 8 -7.781 -2.598 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.495 -2.619 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.274 -2.090 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.302 -3.820 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.811 -2.157 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.120 -2.461 -8.931 1.00 0.00 H new ATOM 97 N LYS A 9 -9.420 -5.731 -5.546 1.00 0.00 N ATOM 98 CA LYS A 9 -9.655 -7.104 -5.009 1.00 0.00 C ATOM 99 C LYS A 9 -9.702 -7.216 -3.443 1.00 0.00 C ATOM 100 O LYS A 9 -10.631 -7.834 -2.917 1.00 0.00 O ATOM 101 CB LYS A 9 -8.614 -8.070 -5.643 1.00 0.00 C ATOM 102 CG LYS A 9 -8.668 -8.179 -7.189 1.00 0.00 C ATOM 103 CD LYS A 9 -7.759 -9.270 -7.799 1.00 0.00 C ATOM 104 CE LYS A 9 -6.244 -8.986 -7.777 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.875 -7.900 -8.712 1.00 0.00 N ATOM 0 H LYS A 9 -8.563 -5.652 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.665 -7.392 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.615 -7.743 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.760 -9.064 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.697 -8.376 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.390 -7.215 -7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.940 -10.204 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.062 -9.429 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.940 -8.714 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.700 -9.893 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.843 -7.884 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.332 -8.064 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.191 -6.987 -8.326 1.00 0.00 H new ATOM 118 N VAL A 10 -8.775 -6.577 -2.694 1.00 0.00 N ATOM 119 CA VAL A 10 -8.898 -6.389 -1.205 1.00 0.00 C ATOM 120 C VAL A 10 -10.193 -5.596 -0.770 1.00 0.00 C ATOM 121 O VAL A 10 -10.858 -6.008 0.185 1.00 0.00 O ATOM 122 CB VAL A 10 -7.577 -5.791 -0.594 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.598 -5.673 0.952 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.289 -6.590 -0.920 1.00 0.00 C ATOM 0 H VAL A 10 -7.923 -6.176 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.031 -7.383 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.550 -4.811 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.653 -5.253 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.418 -5.022 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.738 -6.661 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.431 -6.102 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.382 -7.605 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.147 -6.626 -2.000 1.00 0.00 H new ATOM 134 N PHE A 11 -10.593 -4.519 -1.482 1.00 0.00 N ATOM 135 CA PHE A 11 -11.932 -3.869 -1.333 1.00 0.00 C ATOM 136 C PHE A 11 -13.204 -4.774 -1.563 1.00 0.00 C ATOM 137 O PHE A 11 -14.283 -4.418 -1.081 1.00 0.00 O ATOM 138 CB PHE A 11 -11.918 -2.586 -2.220 1.00 0.00 C ATOM 139 CG PHE A 11 -12.976 -1.523 -1.875 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.253 -1.590 -2.441 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.673 -0.484 -0.989 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.230 -0.665 -2.082 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.644 0.458 -0.656 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.928 0.356 -1.187 1.00 0.00 C ATOM 0 H PHE A 11 -10.001 -4.068 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.059 -3.628 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.932 -2.127 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.055 -2.884 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.483 -2.363 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.684 -0.412 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.223 -0.740 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.401 1.269 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.688 1.069 -0.904 1.00 0.00 H new ATOM 154 N GLY A 12 -13.094 -5.974 -2.170 1.00 0.00 N ATOM 155 CA GLY A 12 -14.049 -7.097 -1.936 1.00 0.00 C ATOM 156 C GLY A 12 -14.499 -7.427 -0.484 1.00 0.00 C ATOM 157 O GLY A 12 -15.682 -7.682 -0.256 1.00 0.00 O ATOM 0 H GLY A 12 -12.351 -6.199 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.947 -6.889 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.601 -7.999 -2.353 1.00 0.00 H new ATOM 161 N LYS A 13 -13.579 -7.358 0.494 1.00 0.00 N ATOM 162 CA LYS A 13 -13.928 -7.355 1.951 1.00 0.00 C ATOM 163 C LYS A 13 -14.625 -6.065 2.532 1.00 0.00 C ATOM 164 O LYS A 13 -15.085 -6.098 3.675 1.00 0.00 O ATOM 165 CB LYS A 13 -12.624 -7.698 2.734 1.00 0.00 C ATOM 166 CG LYS A 13 -12.134 -9.163 2.586 1.00 0.00 C ATOM 167 CD LYS A 13 -10.750 -9.454 3.202 1.00 0.00 C ATOM 168 CE LYS A 13 -9.569 -8.956 2.347 1.00 0.00 C ATOM 169 NZ LYS A 13 -8.293 -9.391 2.952 1.00 0.00 N ATOM 0 H LYS A 13 -12.577 -7.303 0.313 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.713 -8.101 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.831 -7.030 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.789 -7.491 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.867 -9.824 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.103 -9.414 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.696 -8.988 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.649 -10.529 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.653 -9.346 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.595 -7.869 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.499 -8.995 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.242 -9.055 3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.238 -10.429 2.938 1.00 0.00 H new ATOM 182 N CYS A 14 -14.718 -4.957 1.776 1.00 0.00 N ATOM 183 CA CYS A 14 -15.445 -3.715 2.171 1.00 0.00 C ATOM 184 C CYS A 14 -16.792 -3.463 1.408 1.00 0.00 C ATOM 185 O CYS A 14 -17.757 -2.995 2.021 1.00 0.00 O ATOM 186 CB CYS A 14 -14.486 -2.514 1.981 1.00 0.00 C ATOM 187 SG CYS A 14 -12.767 -2.869 2.442 1.00 0.00 S ATOM 0 H CYS A 14 -14.286 -4.888 0.855 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.740 -3.839 3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.515 -2.199 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.846 -1.675 2.577 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.196 -1.779 2.862 1.00 0.00 H new ATOM 192 N LYS A 15 -16.858 -3.737 0.084 1.00 0.00 N ATOM 193 CA LYS A 15 -18.010 -3.377 -0.798 1.00 0.00 C ATOM 194 C LYS A 15 -19.444 -3.902 -0.459 1.00 0.00 C ATOM 195 O LYS A 15 -20.423 -3.240 -0.811 1.00 0.00 O ATOM 196 CB LYS A 15 -17.599 -3.668 -2.269 1.00 0.00 C ATOM 197 CG LYS A 15 -17.535 -5.150 -2.712 1.00 0.00 C ATOM 198 CD LYS A 15 -16.876 -5.318 -4.095 1.00 0.00 C ATOM 199 CE LYS A 15 -17.009 -6.749 -4.641 1.00 0.00 C ATOM 200 NZ LYS A 15 -16.179 -6.904 -5.852 1.00 0.00 N ATOM 0 H LYS A 15 -16.109 -4.219 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.174 -2.317 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.301 -3.151 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.618 -3.223 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.976 -5.724 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.543 -5.563 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.332 -4.621 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.820 -5.056 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.698 -7.467 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.052 -6.963 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.274 -7.874 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.495 -6.229 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.183 -6.718 -5.616 1.00 0.00 H new ATOM 213 N ALA A 16 -19.581 -5.044 0.242 1.00 0.00 N ATOM 214 CA ALA A 16 -20.872 -5.460 0.859 1.00 0.00 C ATOM 215 C ALA A 16 -21.514 -4.470 1.896 1.00 0.00 C ATOM 216 O ALA A 16 -22.740 -4.345 1.927 1.00 0.00 O ATOM 217 CB ALA A 16 -20.635 -6.856 1.465 1.00 0.00 C ATOM 0 H ALA A 16 -18.817 -5.701 0.400 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.625 -5.464 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.554 -7.210 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.338 -7.549 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.845 -6.798 2.214 1.00 0.00 H new ATOM 223 N CYS A 17 -20.705 -3.766 2.712 1.00 0.00 N ATOM 224 CA CYS A 17 -21.186 -2.637 3.551 1.00 0.00 C ATOM 225 C CYS A 17 -21.011 -1.202 2.933 1.00 0.00 C ATOM 226 O CYS A 17 -21.903 -0.362 3.092 1.00 0.00 O ATOM 227 CB CYS A 17 -20.468 -2.728 4.912 1.00 0.00 C ATOM 228 SG CYS A 17 -20.617 -4.363 5.696 1.00 0.00 S ATOM 0 H CYS A 17 -19.708 -3.957 2.812 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.266 -2.750 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.412 -2.493 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.878 -1.973 5.582 1.00 0.00 H new ATOM 0 HG CYS A 17 -19.986 -4.358 6.833 1.00 0.00 H new ATOM 233 N HIS A 18 -19.856 -0.894 2.306 1.00 0.00 N ATOM 234 CA HIS A 18 -19.454 0.485 1.929 1.00 0.00 C ATOM 235 C HIS A 18 -19.546 0.732 0.394 1.00 0.00 C ATOM 236 O HIS A 18 -19.047 -0.033 -0.437 1.00 0.00 O ATOM 237 CB HIS A 18 -17.995 0.721 2.394 1.00 0.00 C ATOM 238 CG HIS A 18 -17.840 1.033 3.876 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.793 2.311 4.376 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.459 0.123 4.862 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.272 2.082 5.606 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.132 0.776 6.059 1.00 0.00 N ATOM 0 H HIS A 18 -19.168 -1.599 2.043 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.141 1.179 2.414 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.406 -0.166 2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.574 1.545 1.818 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.073 3.190 3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.421 -0.947 4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.968 2.909 6.230 1.00 0.00 H new ATOM 250 N LYS A 19 -20.134 1.879 0.048 1.00 0.00 N ATOM 251 CA LYS A 19 -20.405 2.269 -1.362 1.00 0.00 C ATOM 252 C LYS A 19 -19.342 3.276 -1.909 1.00 0.00 C ATOM 253 O LYS A 19 -19.008 4.279 -1.270 1.00 0.00 O ATOM 254 CB LYS A 19 -21.835 2.877 -1.411 1.00 0.00 C ATOM 255 CG LYS A 19 -22.995 1.869 -1.207 1.00 0.00 C ATOM 256 CD LYS A 19 -24.355 2.564 -1.009 1.00 0.00 C ATOM 257 CE LYS A 19 -25.507 1.557 -0.866 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.761 2.270 -0.551 1.00 0.00 N ATOM 0 H LYS A 19 -20.441 2.574 0.729 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.340 1.391 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.909 3.650 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.969 3.369 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.052 1.207 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.781 1.244 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.313 3.194 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.552 3.221 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.623 0.990 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.279 0.839 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.536 1.583 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.649 2.792 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.982 2.938 -1.317 1.00 0.00 H new ATOM 271 N LEU A 20 -18.852 3.033 -3.134 1.00 0.00 N ATOM 272 CA LEU A 20 -18.004 4.016 -3.881 1.00 0.00 C ATOM 273 C LEU A 20 -18.778 5.130 -4.668 1.00 0.00 C ATOM 274 O LEU A 20 -18.178 6.162 -4.974 1.00 0.00 O ATOM 275 CB LEU A 20 -17.050 3.237 -4.831 1.00 0.00 C ATOM 276 CG LEU A 20 -15.956 2.368 -4.154 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.313 1.426 -5.181 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.858 3.215 -3.483 1.00 0.00 C ATOM 0 H LEU A 20 -19.021 2.165 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.452 4.569 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.655 2.590 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.558 3.957 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.453 1.791 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.548 0.823 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.076 0.772 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.858 2.013 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.119 2.557 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.372 3.840 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.304 3.848 -2.716 1.00 0.00 H new ATOM 290 N ASP A 21 -20.079 4.989 -4.997 1.00 0.00 N ATOM 291 CA ASP A 21 -20.821 5.998 -5.822 1.00 0.00 C ATOM 292 C ASP A 21 -21.346 7.248 -5.016 1.00 0.00 C ATOM 293 O ASP A 21 -22.517 7.627 -5.118 1.00 0.00 O ATOM 294 CB ASP A 21 -21.949 5.247 -6.591 1.00 0.00 C ATOM 295 CG ASP A 21 -21.490 4.199 -7.609 1.00 0.00 C ATOM 296 OD1 ASP A 21 -21.223 4.743 -8.834 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.371 3.008 -7.336 1.00 0.00 O ATOM 0 H ASP A 21 -20.647 4.192 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.122 6.448 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.594 4.757 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.560 5.985 -7.111 1.00 0.00 H new ATOM 302 N GLY A 22 -20.467 7.900 -4.225 1.00 0.00 N ATOM 303 CA GLY A 22 -20.795 9.124 -3.429 1.00 0.00 C ATOM 304 C GLY A 22 -21.986 9.171 -2.432 1.00 0.00 C ATOM 305 O GLY A 22 -22.371 10.266 -2.021 1.00 0.00 O ATOM 0 H GLY A 22 -19.499 7.597 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.900 9.376 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.955 9.930 -4.145 1.00 0.00 H new ATOM 309 N ASN A 23 -22.564 8.022 -2.053 1.00 0.00 N ATOM 310 CA ASN A 23 -23.827 7.949 -1.270 1.00 0.00 C ATOM 311 C ASN A 23 -23.689 6.837 -0.187 1.00 0.00 C ATOM 312 O ASN A 23 -23.352 5.691 -0.496 1.00 0.00 O ATOM 313 CB ASN A 23 -25.016 7.637 -2.225 1.00 0.00 C ATOM 314 CG ASN A 23 -25.503 8.809 -3.083 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.321 9.618 -2.662 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.039 8.945 -4.302 1.00 0.00 N ATOM 0 H ASN A 23 -22.174 7.107 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.019 8.903 -0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.722 6.823 -2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.853 7.275 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.360 9.717 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.358 8.279 -4.666 1.00 0.00 H new ATOM 323 N ASP A 24 -23.952 7.172 1.084 1.00 0.00 N ATOM 324 CA ASP A 24 -23.843 6.211 2.221 1.00 0.00 C ATOM 325 C ASP A 24 -24.992 5.149 2.320 1.00 0.00 C ATOM 326 O ASP A 24 -26.130 5.400 1.911 1.00 0.00 O ATOM 327 CB ASP A 24 -23.649 7.026 3.527 1.00 0.00 C ATOM 328 CG ASP A 24 -24.733 8.032 3.930 1.00 0.00 C ATOM 329 OD1 ASP A 24 -24.763 9.188 3.522 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.624 7.516 4.822 1.00 0.00 O ATOM 0 H ASP A 24 -24.245 8.108 1.365 1.00 0.00 H new ATOM 0 HA ASP A 24 -22.972 5.582 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.534 6.316 4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.708 7.569 3.442 1.00 0.00 H new ATOM 335 N GLY A 25 -24.676 3.964 2.878 1.00 0.00 N ATOM 336 CA GLY A 25 -25.665 2.859 3.025 1.00 0.00 C ATOM 337 C GLY A 25 -25.557 2.141 4.380 1.00 0.00 C ATOM 338 O GLY A 25 -25.976 2.686 5.404 1.00 0.00 O ATOM 0 H GLY A 25 -23.748 3.740 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.672 3.261 2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.517 2.136 2.223 1.00 0.00 H new ATOM 342 N VAL A 26 -24.980 0.929 4.393 1.00 0.00 N ATOM 343 CA VAL A 26 -24.623 0.218 5.670 1.00 0.00 C ATOM 344 C VAL A 26 -23.389 0.888 6.368 1.00 0.00 C ATOM 345 O VAL A 26 -23.485 1.218 7.550 1.00 0.00 O ATOM 346 CB VAL A 26 -24.427 -1.330 5.498 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.244 -2.081 6.840 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.558 -2.055 4.729 1.00 0.00 C ATOM 0 H VAL A 26 -24.744 0.408 3.548 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.486 0.328 6.327 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.514 -1.371 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.114 -3.146 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.364 -1.696 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -25.125 -1.931 7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.330 -3.119 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.502 -1.918 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.640 -1.639 3.725 1.00 0.00 H new ATOM 358 N GLY A 27 -22.265 1.094 5.655 1.00 0.00 N ATOM 359 CA GLY A 27 -21.213 2.048 6.080 1.00 0.00 C ATOM 360 C GLY A 27 -21.198 3.413 5.315 1.00 0.00 C ATOM 361 O GLY A 27 -21.832 3.542 4.258 1.00 0.00 O ATOM 0 H GLY A 27 -22.059 0.613 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.336 2.248 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.241 1.570 5.956 1.00 0.00 H new ATOM 365 N PRO A 28 -20.454 4.457 5.786 1.00 0.00 N ATOM 366 CA PRO A 28 -20.289 5.743 5.053 1.00 0.00 C ATOM 367 C PRO A 28 -19.394 5.633 3.778 1.00 0.00 C ATOM 368 O PRO A 28 -18.349 4.976 3.789 1.00 0.00 O ATOM 369 CB PRO A 28 -19.671 6.642 6.142 1.00 0.00 C ATOM 370 CG PRO A 28 -18.862 5.679 7.012 1.00 0.00 C ATOM 371 CD PRO A 28 -19.732 4.432 7.070 1.00 0.00 C ATOM 0 HA PRO A 28 -21.223 6.123 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.036 7.414 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.441 7.151 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -17.886 5.467 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.684 6.090 8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.132 3.528 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.418 4.460 7.917 1.00 0.00 H new ATOM 379 N HIS A 29 -19.794 6.291 2.681 1.00 0.00 N ATOM 380 CA HIS A 29 -19.152 6.129 1.342 1.00 0.00 C ATOM 381 C HIS A 29 -17.595 6.314 1.289 1.00 0.00 C ATOM 382 O HIS A 29 -17.070 7.347 1.717 1.00 0.00 O ATOM 383 CB HIS A 29 -19.903 7.023 0.315 1.00 0.00 C ATOM 384 CG HIS A 29 -19.929 8.536 0.561 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.924 9.177 1.288 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.024 9.465 0.026 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.522 10.476 1.101 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.387 10.748 0.385 1.00 0.00 N ATOM 0 H HIS A 29 -20.570 6.953 2.683 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.257 5.077 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.458 6.852 -0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -20.935 6.676 0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.166 9.213 -0.580 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.102 11.285 1.519 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.939 11.640 0.177 1.00 0.00 H new ATOM 396 N LEU A 30 -16.859 5.302 0.796 1.00 0.00 N ATOM 397 CA LEU A 30 -15.358 5.337 0.767 1.00 0.00 C ATOM 398 C LEU A 30 -14.679 6.012 -0.477 1.00 0.00 C ATOM 399 O LEU A 30 -13.449 6.103 -0.511 1.00 0.00 O ATOM 400 CB LEU A 30 -14.796 3.912 1.051 1.00 0.00 C ATOM 401 CG LEU A 30 -15.064 3.310 2.457 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.567 1.859 2.540 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.443 4.103 3.621 1.00 0.00 C ATOM 0 H LEU A 30 -17.262 4.448 0.411 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.079 6.024 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.211 3.231 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.718 3.937 0.894 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.147 3.360 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.767 1.462 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.086 1.254 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.495 1.830 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.680 3.611 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.361 4.145 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.847 5.115 3.628 1.00 0.00 H new ATOM 415 N ASN A 31 -15.442 6.566 -1.439 1.00 0.00 N ATOM 416 CA ASN A 31 -14.911 7.543 -2.425 1.00 0.00 C ATOM 417 C ASN A 31 -14.845 8.963 -1.771 1.00 0.00 C ATOM 418 O ASN A 31 -15.859 9.500 -1.312 1.00 0.00 O ATOM 419 CB ASN A 31 -15.797 7.488 -3.687 1.00 0.00 C ATOM 420 CG ASN A 31 -15.257 8.248 -4.893 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.272 7.866 -5.513 1.00 0.00 O ATOM 422 ND2 ASN A 31 -15.879 9.329 -5.280 1.00 0.00 N ATOM 0 H ASN A 31 -16.433 6.356 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.893 7.297 -2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.936 6.444 -3.968 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.781 7.885 -3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.544 9.847 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.700 9.655 -4.770 1.00 0.00 H new ATOM 429 N GLY A 32 -13.637 9.528 -1.675 1.00 0.00 N ATOM 430 CA GLY A 32 -13.385 10.744 -0.851 1.00 0.00 C ATOM 431 C GLY A 32 -13.214 10.533 0.672 1.00 0.00 C ATOM 432 O GLY A 32 -13.713 11.346 1.453 1.00 0.00 O ATOM 0 H GLY A 32 -12.809 9.172 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.486 11.230 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.212 11.437 -1.007 1.00 0.00 H new ATOM 436 N VAL A 33 -12.510 9.469 1.095 1.00 0.00 N ATOM 437 CA VAL A 33 -12.167 9.218 2.533 1.00 0.00 C ATOM 438 C VAL A 33 -10.732 9.681 2.974 1.00 0.00 C ATOM 439 O VAL A 33 -10.576 10.088 4.128 1.00 0.00 O ATOM 440 CB VAL A 33 -12.511 7.737 2.915 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.580 6.672 2.293 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.578 7.506 4.443 1.00 0.00 C ATOM 0 H VAL A 33 -12.157 8.751 0.462 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.802 9.876 3.126 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.501 7.602 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.896 5.680 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.631 6.735 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.555 6.849 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.820 6.462 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.614 7.747 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.348 8.146 4.874 1.00 0.00 H new ATOM 452 N VAL A 34 -9.691 9.618 2.116 1.00 0.00 N ATOM 453 CA VAL A 34 -8.284 9.959 2.504 1.00 0.00 C ATOM 454 C VAL A 34 -8.147 11.508 2.713 1.00 0.00 C ATOM 455 O VAL A 34 -8.331 12.296 1.780 1.00 0.00 O ATOM 456 CB VAL A 34 -7.233 9.391 1.485 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.772 9.612 1.947 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.373 7.881 1.187 1.00 0.00 C ATOM 0 H VAL A 34 -9.789 9.333 1.141 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.061 9.471 3.453 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.453 9.958 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.089 9.200 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.584 10.680 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.613 9.113 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.606 7.578 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.253 7.315 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.359 7.683 0.766 1.00 0.00 H new ATOM 468 N GLY A 35 -7.880 11.928 3.961 1.00 0.00 N ATOM 469 CA GLY A 35 -8.046 13.350 4.378 1.00 0.00 C ATOM 470 C GLY A 35 -9.424 13.822 4.920 1.00 0.00 C ATOM 471 O GLY A 35 -9.520 14.983 5.319 1.00 0.00 O ATOM 0 H GLY A 35 -7.549 11.313 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.302 13.556 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.799 13.975 3.520 1.00 0.00 H new ATOM 475 N ARG A 36 -10.473 12.977 4.960 1.00 0.00 N ATOM 476 CA ARG A 36 -11.813 13.365 5.478 1.00 0.00 C ATOM 477 C ARG A 36 -11.870 13.320 7.036 1.00 0.00 C ATOM 478 O ARG A 36 -11.311 12.422 7.672 1.00 0.00 O ATOM 479 CB ARG A 36 -12.876 12.435 4.822 1.00 0.00 C ATOM 480 CG ARG A 36 -14.357 12.785 5.144 1.00 0.00 C ATOM 481 CD ARG A 36 -15.405 12.045 4.296 1.00 0.00 C ATOM 482 NE ARG A 36 -15.570 10.615 4.693 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.992 9.642 3.883 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.052 9.754 2.582 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.365 8.509 4.404 1.00 0.00 N ATOM 0 H ARG A 36 -10.423 12.011 4.638 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.025 14.400 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.741 12.462 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.685 11.411 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.545 12.567 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.497 13.858 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.364 12.555 4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.116 12.094 3.246 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.343 10.363 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.766 10.623 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.384 8.972 2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.332 8.377 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.691 7.753 3.801 1.00 0.00 H new ATOM 499 N THR A 37 -12.615 14.261 7.641 1.00 0.00 N ATOM 500 CA THR A 37 -12.848 14.309 9.115 1.00 0.00 C ATOM 501 C THR A 37 -13.492 12.996 9.683 1.00 0.00 C ATOM 502 O THR A 37 -14.345 12.365 9.044 1.00 0.00 O ATOM 503 CB THR A 37 -13.675 15.598 9.423 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.962 16.756 8.995 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.988 15.857 10.906 1.00 0.00 C ATOM 0 H THR A 37 -13.077 15.014 7.132 1.00 0.00 H new ATOM 0 HA THR A 37 -11.892 14.363 9.637 1.00 0.00 H new ATOM 0 HB THR A 37 -14.611 15.422 8.894 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.039 16.509 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.565 16.777 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.565 15.024 11.307 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.056 15.954 11.463 1.00 0.00 H new ATOM 513 N VAL A 38 -13.080 12.590 10.898 1.00 0.00 N ATOM 514 CA VAL A 38 -13.674 11.412 11.601 1.00 0.00 C ATOM 515 C VAL A 38 -15.150 11.750 12.031 1.00 0.00 C ATOM 516 O VAL A 38 -15.402 12.754 12.703 1.00 0.00 O ATOM 517 CB VAL A 38 -12.763 10.923 12.780 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.318 9.648 13.452 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.306 10.581 12.378 1.00 0.00 C ATOM 0 H VAL A 38 -12.338 13.053 11.423 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.724 10.563 10.919 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.763 11.781 13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.655 9.346 14.263 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.311 9.851 13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.380 8.846 12.716 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.753 10.253 13.258 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.311 9.784 11.635 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.827 11.466 11.958 1.00 0.00 H new ATOM 529 N ALA A 39 -16.115 10.941 11.548 1.00 0.00 N ATOM 530 CA ALA A 39 -17.563 11.315 11.477 1.00 0.00 C ATOM 531 C ALA A 39 -17.999 12.426 10.448 1.00 0.00 C ATOM 532 O ALA A 39 -19.064 13.033 10.601 1.00 0.00 O ATOM 533 CB ALA A 39 -18.182 11.479 12.882 1.00 0.00 C ATOM 0 H ALA A 39 -15.923 10.005 11.192 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.013 10.442 11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.233 11.750 12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.098 10.540 13.429 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.652 12.263 13.424 1.00 0.00 H new ATOM 539 N GLY A 40 -17.249 12.644 9.349 1.00 0.00 N ATOM 540 CA GLY A 40 -17.535 13.728 8.367 1.00 0.00 C ATOM 541 C GLY A 40 -18.367 13.361 7.118 1.00 0.00 C ATOM 542 O GLY A 40 -17.998 13.737 6.004 1.00 0.00 O ATOM 0 H GLY A 40 -16.432 12.082 9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.054 14.529 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.582 14.134 8.028 1.00 0.00 H new ATOM 546 N VAL A 41 -19.507 12.689 7.316 1.00 0.00 N ATOM 547 CA VAL A 41 -20.551 12.498 6.259 1.00 0.00 C ATOM 548 C VAL A 41 -21.911 12.976 6.863 1.00 0.00 C ATOM 549 O VAL A 41 -22.555 12.254 7.635 1.00 0.00 O ATOM 550 CB VAL A 41 -20.599 11.033 5.686 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.761 10.781 4.694 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.301 10.630 4.952 1.00 0.00 C ATOM 0 H VAL A 41 -19.748 12.256 8.208 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.306 13.097 5.382 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.742 10.429 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.724 9.749 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.712 10.961 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.666 11.455 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.395 9.610 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.131 11.307 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.460 10.688 5.642 1.00 0.00 H new ATOM 562 N ASP A 42 -22.380 14.171 6.451 1.00 0.00 N ATOM 563 CA ASP A 42 -23.751 14.664 6.779 1.00 0.00 C ATOM 564 C ASP A 42 -24.812 13.894 5.924 1.00 0.00 C ATOM 565 O ASP A 42 -24.976 14.144 4.726 1.00 0.00 O ATOM 566 CB ASP A 42 -23.823 16.197 6.550 1.00 0.00 C ATOM 567 CG ASP A 42 -23.009 17.040 7.532 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.413 17.375 8.640 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.784 17.373 7.040 1.00 0.00 O ATOM 0 H ASP A 42 -21.833 14.822 5.887 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.974 14.473 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.480 16.414 5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.866 16.508 6.606 1.00 0.00 H new ATOM 574 N GLY A 43 -25.456 12.891 6.539 1.00 0.00 N ATOM 575 CA GLY A 43 -26.088 11.773 5.782 1.00 0.00 C ATOM 576 C GLY A 43 -25.952 10.351 6.380 1.00 0.00 C ATOM 577 O GLY A 43 -26.794 9.502 6.072 1.00 0.00 O ATOM 0 H GLY A 43 -25.559 12.821 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.150 11.995 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.662 11.760 4.779 1.00 0.00 H new ATOM 581 N PHE A 44 -24.901 10.049 7.169 1.00 0.00 N ATOM 582 CA PHE A 44 -24.758 8.746 7.875 1.00 0.00 C ATOM 583 C PHE A 44 -24.977 8.897 9.419 1.00 0.00 C ATOM 584 O PHE A 44 -24.451 9.812 10.063 1.00 0.00 O ATOM 585 CB PHE A 44 -23.366 8.149 7.514 1.00 0.00 C ATOM 586 CG PHE A 44 -23.182 6.698 7.988 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.805 5.650 7.303 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.520 6.431 9.191 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.774 4.360 7.819 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.498 5.141 9.712 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.118 4.103 9.020 1.00 0.00 C ATOM 0 H PHE A 44 -24.128 10.693 7.338 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.533 8.054 7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.231 8.190 6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.587 8.770 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.312 5.844 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.023 7.231 9.719 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.260 3.555 7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.001 4.945 10.651 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.090 3.098 9.415 1.00 0.00 H new ATOM 601 N ASN A 45 -25.702 7.934 10.022 1.00 0.00 N ATOM 602 CA ASN A 45 -25.867 7.849 11.498 1.00 0.00 C ATOM 603 C ASN A 45 -24.631 7.168 12.183 1.00 0.00 C ATOM 604 O ASN A 45 -24.596 5.951 12.389 1.00 0.00 O ATOM 605 CB ASN A 45 -27.213 7.117 11.755 1.00 0.00 C ATOM 606 CG ASN A 45 -27.698 7.145 13.199 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.335 8.086 13.656 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.422 6.126 13.964 1.00 0.00 N ATOM 0 H ASN A 45 -26.188 7.197 9.511 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.905 8.839 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.979 7.565 11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.109 6.078 11.443 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.736 6.117 14.934 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.892 5.338 13.592 1.00 0.00 H new ATOM 615 N TYR A 46 -23.635 7.984 12.558 1.00 0.00 N ATOM 616 CA TYR A 46 -22.407 7.511 13.254 1.00 0.00 C ATOM 617 C TYR A 46 -22.628 7.174 14.768 1.00 0.00 C ATOM 618 O TYR A 46 -23.493 7.756 15.431 1.00 0.00 O ATOM 619 CB TYR A 46 -21.311 8.608 13.096 1.00 0.00 C ATOM 620 CG TYR A 46 -20.692 8.757 11.695 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.676 7.889 11.289 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.119 9.766 10.825 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.079 8.036 10.041 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.530 9.903 9.570 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.503 9.046 9.181 1.00 0.00 C ATOM 626 OH TYR A 46 -18.882 9.243 7.975 1.00 0.00 O ATOM 0 H TYR A 46 -23.648 8.990 12.392 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.101 6.573 12.791 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.743 9.567 13.383 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.509 8.395 13.803 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.351 7.098 11.949 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.907 10.440 11.127 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.287 7.367 9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.871 10.676 8.897 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.330 8.462 7.760 1.00 0.00 H new ATOM 636 N SER A 47 -21.793 6.281 15.343 1.00 0.00 N ATOM 637 CA SER A 47 -21.743 6.094 16.825 1.00 0.00 C ATOM 638 C SER A 47 -21.089 7.300 17.577 1.00 0.00 C ATOM 639 O SER A 47 -20.152 7.934 17.078 1.00 0.00 O ATOM 640 CB SER A 47 -21.083 4.740 17.206 1.00 0.00 C ATOM 641 OG SER A 47 -19.656 4.733 17.092 1.00 0.00 O ATOM 0 H SER A 47 -21.151 5.684 14.821 1.00 0.00 H new ATOM 0 HA SER A 47 -22.778 6.063 17.165 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.356 4.491 18.231 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.492 3.957 16.568 1.00 0.00 H new ATOM 0 HG SER A 47 -19.276 4.139 17.772 1.00 0.00 H new ATOM 647 N ASP A 48 -21.563 7.596 18.803 1.00 0.00 N ATOM 648 CA ASP A 48 -20.988 8.678 19.662 1.00 0.00 C ATOM 649 C ASP A 48 -19.429 8.653 19.895 1.00 0.00 C ATOM 650 O ASP A 48 -18.843 9.729 19.751 1.00 0.00 O ATOM 651 CB ASP A 48 -21.788 8.797 20.986 1.00 0.00 C ATOM 652 CG ASP A 48 -23.204 9.350 20.819 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.241 10.709 20.889 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.190 8.648 20.622 1.00 0.00 O ATOM 0 H ASP A 48 -22.347 7.104 19.232 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.110 9.588 19.075 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.848 7.813 21.450 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.238 9.441 21.672 1.00 0.00 H new ATOM 659 N PRO A 49 -18.702 7.525 20.160 1.00 0.00 N ATOM 660 CA PRO A 49 -17.212 7.488 20.094 1.00 0.00 C ATOM 661 C PRO A 49 -16.503 7.849 18.752 1.00 0.00 C ATOM 662 O PRO A 49 -15.414 8.422 18.789 1.00 0.00 O ATOM 663 CB PRO A 49 -16.885 6.055 20.551 1.00 0.00 C ATOM 664 CG PRO A 49 -18.137 5.558 21.272 1.00 0.00 C ATOM 665 CD PRO A 49 -19.294 6.236 20.554 1.00 0.00 C ATOM 0 HA PRO A 49 -16.816 8.293 20.713 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.644 5.418 19.700 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.020 6.043 21.214 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.220 4.472 21.218 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.117 5.824 22.329 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.630 5.662 19.691 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.158 6.367 21.206 1.00 0.00 H new ATOM 673 N MET A 50 -17.107 7.546 17.586 1.00 0.00 N ATOM 674 CA MET A 50 -16.683 8.142 16.284 1.00 0.00 C ATOM 675 C MET A 50 -16.952 9.682 16.152 1.00 0.00 C ATOM 676 O MET A 50 -16.078 10.411 15.679 1.00 0.00 O ATOM 677 CB MET A 50 -17.342 7.298 15.158 1.00 0.00 C ATOM 678 CG MET A 50 -16.780 7.531 13.742 1.00 0.00 C ATOM 679 SD MET A 50 -15.085 6.932 13.605 1.00 0.00 S ATOM 680 CE MET A 50 -15.352 5.284 12.931 1.00 0.00 C ATOM 0 H MET A 50 -17.889 6.895 17.509 1.00 0.00 H new ATOM 0 HA MET A 50 -15.597 8.093 16.206 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.230 6.242 15.406 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.411 7.511 15.146 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.408 7.022 13.011 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.813 8.595 13.506 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.495 4.652 13.164 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.251 4.852 13.371 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.472 5.348 11.850 1.00 0.00 H new ATOM 690 N LYS A 51 -18.125 10.179 16.594 1.00 0.00 N ATOM 691 CA LYS A 51 -18.426 11.644 16.655 1.00 0.00 C ATOM 692 C LYS A 51 -17.531 12.459 17.649 1.00 0.00 C ATOM 693 O LYS A 51 -16.989 13.496 17.262 1.00 0.00 O ATOM 694 CB LYS A 51 -19.945 11.861 16.913 1.00 0.00 C ATOM 695 CG LYS A 51 -20.886 11.358 15.789 1.00 0.00 C ATOM 696 CD LYS A 51 -22.389 11.627 16.005 1.00 0.00 C ATOM 697 CE LYS A 51 -23.021 10.798 17.136 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.488 10.951 17.133 1.00 0.00 N ATOM 0 H LYS A 51 -18.892 9.590 16.919 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.164 12.054 15.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.214 11.358 17.842 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.123 12.926 17.064 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.583 11.824 14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.741 10.284 15.672 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.530 12.686 16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.921 11.420 15.077 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.759 9.747 17.014 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.618 11.117 18.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.898 10.385 17.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.733 11.952 17.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.869 10.624 16.222 1.00 0.00 H new ATOM 711 N ALA A 52 -17.332 11.982 18.892 1.00 0.00 N ATOM 712 CA ALA A 52 -16.349 12.569 19.843 1.00 0.00 C ATOM 713 C ALA A 52 -14.856 12.077 19.734 1.00 0.00 C ATOM 714 O ALA A 52 -14.109 12.190 20.711 1.00 0.00 O ATOM 715 CB ALA A 52 -16.967 12.301 21.233 1.00 0.00 C ATOM 0 H ALA A 52 -17.841 11.184 19.271 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.213 13.626 19.613 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.310 12.700 22.006 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.941 12.786 21.298 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.086 11.227 21.377 1.00 0.00 H new ATOM 721 N HIS A 53 -14.383 11.603 18.561 1.00 0.00 N ATOM 722 CA HIS A 53 -12.963 11.184 18.366 1.00 0.00 C ATOM 723 C HIS A 53 -11.970 12.383 18.181 1.00 0.00 C ATOM 724 O HIS A 53 -11.026 12.510 18.965 1.00 0.00 O ATOM 725 CB HIS A 53 -12.926 10.145 17.208 1.00 0.00 C ATOM 726 CG HIS A 53 -11.626 9.347 17.101 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.629 9.620 16.175 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.288 8.229 17.883 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.752 8.615 16.495 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.059 7.728 17.495 1.00 0.00 N ATOM 0 H HIS A 53 -14.961 11.498 17.727 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.597 10.713 19.278 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.754 9.448 17.338 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.094 10.667 16.266 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.900 7.820 18.673 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.819 8.522 15.959 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.533 6.930 17.850 1.00 0.00 H new ATOM 738 N GLY A 54 -12.165 13.238 17.156 1.00 0.00 N ATOM 739 CA GLY A 54 -11.256 14.382 16.878 1.00 0.00 C ATOM 740 C GLY A 54 -10.050 14.040 15.984 1.00 0.00 C ATOM 741 O GLY A 54 -8.977 13.689 16.478 1.00 0.00 O ATOM 0 H GLY A 54 -12.944 13.162 16.503 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.830 15.178 16.403 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.889 14.776 17.826 1.00 0.00 H new ATOM 745 N GLY A 55 -10.233 14.177 14.669 1.00 0.00 N ATOM 746 CA GLY A 55 -9.156 13.901 13.688 1.00 0.00 C ATOM 747 C GLY A 55 -9.595 13.868 12.207 1.00 0.00 C ATOM 748 O GLY A 55 -10.751 14.123 11.853 1.00 0.00 O ATOM 0 H GLY A 55 -11.113 14.477 14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.382 14.660 13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.701 12.942 13.935 1.00 0.00 H new ATOM 752 N ASP A 56 -8.636 13.511 11.342 1.00 0.00 N ATOM 753 CA ASP A 56 -8.880 13.286 9.885 1.00 0.00 C ATOM 754 C ASP A 56 -8.245 11.934 9.426 1.00 0.00 C ATOM 755 O ASP A 56 -7.242 11.460 9.978 1.00 0.00 O ATOM 756 CB ASP A 56 -8.326 14.464 9.037 1.00 0.00 C ATOM 757 CG ASP A 56 -9.043 15.802 9.225 1.00 0.00 C ATOM 758 OD1 ASP A 56 -8.725 16.638 10.064 1.00 0.00 O ATOM 759 OD2 ASP A 56 -10.082 15.954 8.362 1.00 0.00 O ATOM 0 H ASP A 56 -7.665 13.367 11.619 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.957 13.235 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.272 14.599 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.379 14.188 7.984 1.00 0.00 H new ATOM 764 N TRP A 57 -8.818 11.320 8.376 1.00 0.00 N ATOM 765 CA TRP A 57 -8.411 9.962 7.917 1.00 0.00 C ATOM 766 C TRP A 57 -7.145 9.971 7.001 1.00 0.00 C ATOM 767 O TRP A 57 -7.206 9.820 5.778 1.00 0.00 O ATOM 768 CB TRP A 57 -9.641 9.251 7.282 1.00 0.00 C ATOM 769 CG TRP A 57 -10.681 8.698 8.269 1.00 0.00 C ATOM 770 CD1 TRP A 57 -12.015 9.142 8.398 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.516 7.732 9.254 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.694 8.456 9.421 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.743 7.607 9.952 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.368 7.023 9.697 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.825 6.804 11.112 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.471 6.240 10.846 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.678 6.140 11.548 1.00 0.00 C ATOM 0 H TRP A 57 -9.567 11.736 7.822 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.091 9.382 8.782 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.139 9.955 6.616 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.281 8.428 6.664 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.459 9.913 7.786 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.668 8.562 9.706 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.436 7.089 9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.756 6.706 11.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.605 5.701 11.201 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.722 5.538 12.443 1.00 0.00 H new ATOM 788 N THR A 58 -5.977 10.104 7.643 1.00 0.00 N ATOM 789 CA THR A 58 -4.640 9.974 6.991 1.00 0.00 C ATOM 790 C THR A 58 -4.253 8.481 6.667 1.00 0.00 C ATOM 791 O THR A 58 -4.787 7.577 7.322 1.00 0.00 O ATOM 792 CB THR A 58 -3.555 10.646 7.902 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.513 10.064 9.200 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.709 12.165 8.086 1.00 0.00 C ATOM 0 H THR A 58 -5.919 10.307 8.641 1.00 0.00 H new ATOM 0 HA THR A 58 -4.690 10.485 6.030 1.00 0.00 H new ATOM 0 HB THR A 58 -2.630 10.464 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.824 10.509 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.913 12.536 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.649 12.657 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.675 12.380 8.542 1.00 0.00 H new ATOM 802 N PRO A 59 -3.312 8.145 5.727 1.00 0.00 N ATOM 803 CA PRO A 59 -2.836 6.738 5.517 1.00 0.00 C ATOM 804 C PRO A 59 -2.359 5.931 6.770 1.00 0.00 C ATOM 805 O PRO A 59 -2.789 4.795 6.983 1.00 0.00 O ATOM 806 CB PRO A 59 -1.743 6.914 4.442 1.00 0.00 C ATOM 807 CG PRO A 59 -1.354 8.392 4.453 1.00 0.00 C ATOM 808 CD PRO A 59 -2.641 9.117 4.837 1.00 0.00 C ATOM 0 HA PRO A 59 -3.668 6.097 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.880 6.285 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.114 6.618 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.557 8.588 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.991 8.715 3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.438 10.059 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.249 9.352 3.963 1.00 0.00 H new ATOM 816 N GLU A 60 -1.530 6.560 7.616 1.00 0.00 N ATOM 817 CA GLU A 60 -1.227 6.072 8.995 1.00 0.00 C ATOM 818 C GLU A 60 -2.456 5.804 9.938 1.00 0.00 C ATOM 819 O GLU A 60 -2.576 4.692 10.459 1.00 0.00 O ATOM 820 CB GLU A 60 -0.097 6.925 9.635 1.00 0.00 C ATOM 821 CG GLU A 60 -0.425 8.407 9.943 1.00 0.00 C ATOM 822 CD GLU A 60 0.715 9.177 10.605 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.660 9.576 9.703 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.763 9.406 11.810 1.00 0.00 O ATOM 0 H GLU A 60 -1.044 7.424 7.375 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.856 5.055 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.205 6.444 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.765 6.900 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.695 8.908 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.300 8.446 10.592 1.00 0.00 H new ATOM 831 N ALA A 61 -3.383 6.770 10.116 1.00 0.00 N ATOM 832 CA ALA A 61 -4.659 6.544 10.854 1.00 0.00 C ATOM 833 C ALA A 61 -5.625 5.471 10.249 1.00 0.00 C ATOM 834 O ALA A 61 -6.135 4.628 10.993 1.00 0.00 O ATOM 835 CB ALA A 61 -5.343 7.916 11.011 1.00 0.00 C ATOM 0 H ALA A 61 -3.277 7.720 9.760 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.405 6.103 11.818 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.284 7.794 11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.690 8.586 11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.540 8.339 10.026 1.00 0.00 H new ATOM 841 N LEU A 62 -5.832 5.460 8.917 1.00 0.00 N ATOM 842 CA LEU A 62 -6.504 4.342 8.196 1.00 0.00 C ATOM 843 C LEU A 62 -5.841 2.938 8.386 1.00 0.00 C ATOM 844 O LEU A 62 -6.561 2.004 8.737 1.00 0.00 O ATOM 845 CB LEU A 62 -6.632 4.706 6.685 1.00 0.00 C ATOM 846 CG LEU A 62 -7.647 5.818 6.308 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.389 6.327 4.880 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.103 5.330 6.414 1.00 0.00 C ATOM 0 H LEU A 62 -5.541 6.222 8.304 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.490 4.235 8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.649 5.010 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.904 3.801 6.141 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.503 6.630 7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.111 7.106 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.380 6.734 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.493 5.502 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.779 6.140 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.255 4.488 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.308 5.016 7.437 1.00 0.00 H new ATOM 860 N GLN A 63 -4.512 2.759 8.211 1.00 0.00 N ATOM 861 CA GLN A 63 -3.838 1.453 8.498 1.00 0.00 C ATOM 862 C GLN A 63 -3.837 0.990 10.001 1.00 0.00 C ATOM 863 O GLN A 63 -3.975 -0.207 10.270 1.00 0.00 O ATOM 864 CB GLN A 63 -2.468 1.380 7.759 1.00 0.00 C ATOM 865 CG GLN A 63 -1.204 1.902 8.488 1.00 0.00 C ATOM 866 CD GLN A 63 -0.529 0.905 9.447 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.472 -0.303 9.222 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.014 1.377 10.542 1.00 0.00 N ATOM 0 H GLN A 63 -3.883 3.489 7.876 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.469 0.673 8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.290 0.338 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.565 1.935 6.826 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.474 2.208 7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.475 2.795 9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.026 2.377 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.477 0.745 11.195 1.00 0.00 H new ATOM 877 N GLU A 64 -3.734 1.913 10.977 1.00 0.00 N ATOM 878 CA GLU A 64 -4.056 1.630 12.408 1.00 0.00 C ATOM 879 C GLU A 64 -5.540 1.179 12.651 1.00 0.00 C ATOM 880 O GLU A 64 -5.758 0.102 13.215 1.00 0.00 O ATOM 881 CB GLU A 64 -3.668 2.864 13.273 1.00 0.00 C ATOM 882 CG GLU A 64 -2.149 3.148 13.392 1.00 0.00 C ATOM 883 CD GLU A 64 -1.828 4.410 14.189 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.762 5.522 13.403 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.646 4.423 15.401 1.00 0.00 O ATOM 0 H GLU A 64 -3.429 2.871 10.808 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.461 0.769 12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.152 3.746 12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.073 2.724 14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.664 2.295 13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.725 3.241 12.392 1.00 0.00 H new ATOM 892 N PHE A 65 -6.548 1.954 12.197 1.00 0.00 N ATOM 893 CA PHE A 65 -7.980 1.545 12.234 1.00 0.00 C ATOM 894 C PHE A 65 -8.341 0.236 11.455 1.00 0.00 C ATOM 895 O PHE A 65 -9.094 -0.581 11.976 1.00 0.00 O ATOM 896 CB PHE A 65 -8.779 2.785 11.753 1.00 0.00 C ATOM 897 CG PHE A 65 -10.310 2.660 11.841 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.968 2.806 13.068 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.056 2.377 10.692 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.352 2.666 13.143 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.438 2.235 10.775 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.086 2.381 11.996 1.00 0.00 C ATOM 0 H PHE A 65 -6.399 2.879 11.794 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.244 1.255 13.251 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.468 3.647 12.342 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.507 2.992 10.718 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.401 3.028 13.960 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.559 2.269 9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.855 2.779 14.092 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.010 2.010 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.159 2.273 12.054 1.00 0.00 H new ATOM 912 N LEU A 66 -7.810 -0.002 10.247 1.00 0.00 N ATOM 913 CA LEU A 66 -7.946 -1.320 9.558 1.00 0.00 C ATOM 914 C LEU A 66 -7.093 -2.496 10.149 1.00 0.00 C ATOM 915 O LEU A 66 -7.396 -3.647 9.839 1.00 0.00 O ATOM 916 CB LEU A 66 -7.687 -1.128 8.037 1.00 0.00 C ATOM 917 CG LEU A 66 -8.624 -0.151 7.273 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.145 0.026 5.824 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.096 -0.595 7.296 1.00 0.00 C ATOM 0 H LEU A 66 -7.281 0.691 9.717 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.970 -1.647 9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.662 -0.781 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.754 -2.104 7.557 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.573 0.805 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.811 0.713 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.133 0.430 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.151 -0.940 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.702 0.126 6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.187 -1.576 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.443 -0.650 8.328 1.00 0.00 H new ATOM 931 N THR A 67 -6.091 -2.257 11.020 1.00 0.00 N ATOM 932 CA THR A 67 -5.491 -3.319 11.886 1.00 0.00 C ATOM 933 C THR A 67 -6.486 -3.793 13.005 1.00 0.00 C ATOM 934 O THR A 67 -6.819 -4.979 13.044 1.00 0.00 O ATOM 935 CB THR A 67 -4.105 -2.863 12.446 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.252 -2.376 11.415 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.313 -3.996 13.121 1.00 0.00 C ATOM 0 H THR A 67 -5.672 -1.336 11.150 1.00 0.00 H new ATOM 0 HA THR A 67 -5.305 -4.198 11.268 1.00 0.00 H new ATOM 0 HB THR A 67 -4.361 -2.090 13.171 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.471 -1.440 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.362 -3.608 13.486 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.888 -4.393 13.957 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.127 -4.791 12.398 1.00 0.00 H new ATOM 945 N ASN A 68 -6.966 -2.890 13.889 1.00 0.00 N ATOM 946 CA ASN A 68 -8.068 -3.196 14.843 1.00 0.00 C ATOM 947 C ASN A 68 -9.006 -1.937 14.957 1.00 0.00 C ATOM 948 O ASN A 68 -8.614 -0.976 15.635 1.00 0.00 O ATOM 949 CB ASN A 68 -7.475 -3.662 16.203 1.00 0.00 C ATOM 950 CG ASN A 68 -8.502 -4.191 17.220 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.616 -3.697 17.367 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.157 -5.196 17.987 1.00 0.00 N ATOM 0 H ASN A 68 -6.609 -1.938 13.965 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.683 -4.022 14.484 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.741 -4.445 16.012 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.940 -2.826 16.653 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.809 -5.551 18.687 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.237 -5.624 17.884 1.00 0.00 H new ATOM 959 N PRO A 69 -10.242 -1.893 14.370 1.00 0.00 N ATOM 960 CA PRO A 69 -11.125 -0.695 14.470 1.00 0.00 C ATOM 961 C PRO A 69 -11.749 -0.390 15.869 1.00 0.00 C ATOM 962 O PRO A 69 -11.857 0.780 16.246 1.00 0.00 O ATOM 963 CB PRO A 69 -12.145 -0.904 13.333 1.00 0.00 C ATOM 964 CG PRO A 69 -12.063 -2.367 12.903 1.00 0.00 C ATOM 965 CD PRO A 69 -10.739 -2.917 13.430 1.00 0.00 C ATOM 0 HA PRO A 69 -10.546 0.222 14.358 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.152 -0.660 13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.923 -0.245 12.494 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.903 -2.934 13.305 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.111 -2.453 11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.882 -3.875 13.930 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.031 -3.084 12.618 1.00 0.00 H new ATOM 973 N LYS A 70 -12.116 -1.431 16.636 1.00 0.00 N ATOM 974 CA LYS A 70 -12.583 -1.303 18.047 1.00 0.00 C ATOM 975 C LYS A 70 -11.531 -0.798 19.092 1.00 0.00 C ATOM 976 O LYS A 70 -11.902 -0.102 20.038 1.00 0.00 O ATOM 977 CB LYS A 70 -13.228 -2.645 18.504 1.00 0.00 C ATOM 978 CG LYS A 70 -14.538 -3.105 17.810 1.00 0.00 C ATOM 979 CD LYS A 70 -14.344 -3.857 16.471 1.00 0.00 C ATOM 980 CE LYS A 70 -15.624 -4.486 15.894 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.019 -5.715 16.611 1.00 0.00 N ATOM 0 H LYS A 70 -12.101 -2.395 16.302 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.318 -0.498 18.028 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.487 -3.433 18.371 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.426 -2.572 19.573 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.086 -3.751 18.495 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.162 -2.230 17.630 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.934 -3.163 15.737 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.603 -4.643 16.616 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.437 -3.761 15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.469 -4.717 14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.886 -6.101 16.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.256 -6.418 16.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.194 -5.492 17.612 1.00 0.00 H new ATOM 994 N ALA A 71 -10.242 -1.126 18.924 1.00 0.00 N ATOM 995 CA ALA A 71 -9.135 -0.495 19.695 1.00 0.00 C ATOM 996 C ALA A 71 -8.848 1.012 19.374 1.00 0.00 C ATOM 997 O ALA A 71 -8.673 1.801 20.305 1.00 0.00 O ATOM 998 CB ALA A 71 -7.889 -1.379 19.503 1.00 0.00 C ATOM 0 H ALA A 71 -9.928 -1.830 18.257 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.442 -0.450 20.740 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.051 -0.951 20.053 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.094 -2.382 19.876 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.639 -1.430 18.443 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.807 1.419 18.087 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.609 2.852 17.686 1.00 0.00 C ATOM 1006 C VAL A 72 -9.855 3.761 17.984 1.00 0.00 C ATOM 1007 O VAL A 72 -9.686 4.831 18.577 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.088 2.936 16.206 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.956 4.376 15.648 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.707 2.266 16.019 1.00 0.00 C ATOM 0 H VAL A 72 -8.908 0.782 17.297 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.831 3.275 18.322 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.863 2.406 15.653 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.590 4.337 14.622 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.930 4.864 15.667 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.254 4.941 16.262 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.398 2.355 14.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.974 2.758 16.658 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.774 1.212 16.289 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.075 3.371 17.565 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.327 4.103 17.920 1.00 0.00 C ATOM 1022 C VAL A 73 -13.105 3.190 18.926 1.00 0.00 C ATOM 1023 O VAL A 73 -13.750 2.210 18.530 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.139 4.484 16.637 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.445 5.241 16.967 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.372 5.353 15.609 1.00 0.00 C ATOM 0 H VAL A 73 -11.230 2.551 16.978 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.123 5.061 18.399 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.342 3.510 16.191 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.970 5.481 16.042 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.081 4.614 17.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.207 6.162 17.499 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.018 5.564 14.757 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.072 6.290 16.077 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.486 4.817 15.269 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.037 3.513 20.232 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.559 2.628 21.312 1.00 0.00 C ATOM 1038 C LYS A 74 -15.118 2.681 21.438 1.00 0.00 C ATOM 1039 O LYS A 74 -15.691 3.570 22.072 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.794 2.992 22.613 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.022 2.015 23.791 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.216 2.352 25.068 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.562 3.669 25.794 1.00 0.00 C ATOM 1044 NZ LYS A 74 -13.928 3.660 26.355 1.00 0.00 N ATOM 0 H LYS A 74 -12.626 4.382 20.574 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.373 1.580 21.076 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.727 3.031 22.392 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.092 3.993 22.926 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.084 2.005 24.038 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.761 1.008 23.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.345 1.533 25.775 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.159 2.380 24.803 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.844 3.838 26.596 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.464 4.502 25.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.113 4.565 26.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.617 3.526 25.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.017 2.883 27.040 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.784 1.712 20.794 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.240 1.795 20.485 1.00 0.00 C ATOM 1059 C GLY A 75 -17.628 2.372 19.096 1.00 0.00 C ATOM 1060 O GLY A 75 -18.621 3.097 18.958 1.00 0.00 O ATOM 0 H GLY A 75 -15.344 0.851 20.470 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.663 0.794 20.567 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.716 2.406 21.252 1.00 0.00 H new ATOM 1064 N THR A 76 -16.899 1.972 18.043 1.00 0.00 N ATOM 1065 CA THR A 76 -17.366 2.096 16.635 1.00 0.00 C ATOM 1066 C THR A 76 -18.455 1.030 16.288 1.00 0.00 C ATOM 1067 O THR A 76 -18.267 -0.166 16.531 1.00 0.00 O ATOM 1068 CB THR A 76 -16.157 2.045 15.648 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.600 2.224 14.311 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.290 0.774 15.623 1.00 0.00 C ATOM 0 H THR A 76 -15.973 1.554 18.132 1.00 0.00 H new ATOM 0 HA THR A 76 -17.843 3.070 16.523 1.00 0.00 H new ATOM 0 HB THR A 76 -15.530 2.846 16.039 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.831 2.191 13.704 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.493 0.892 14.889 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.854 0.611 16.609 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.908 -0.083 15.354 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.559 1.442 15.639 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.538 0.478 15.036 1.00 0.00 C ATOM 1080 C LYS A 77 -20.110 -0.253 13.702 1.00 0.00 C ATOM 1081 O LYS A 77 -20.970 -0.726 12.952 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.928 1.174 14.955 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.062 2.384 13.996 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.512 2.864 13.761 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.197 2.321 12.492 1.00 0.00 C ATOM 1086 NZ LYS A 77 -24.467 0.871 12.554 1.00 0.00 N ATOM 0 H LYS A 77 -19.807 2.423 15.512 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.579 -0.377 15.710 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.663 0.426 14.659 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.198 1.507 15.957 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.479 3.214 14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.621 2.119 13.035 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.113 2.582 14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.512 3.953 13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.136 2.853 12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.566 2.530 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.928 0.566 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.571 0.356 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.092 0.668 13.360 1.00 0.00 H new ATOM 1099 N MET A 78 -18.798 -0.406 13.434 1.00 0.00 N ATOM 1100 CA MET A 78 -18.271 -1.203 12.300 1.00 0.00 C ATOM 1101 C MET A 78 -18.026 -2.679 12.738 1.00 0.00 C ATOM 1102 O MET A 78 -17.084 -2.964 13.485 1.00 0.00 O ATOM 1103 CB MET A 78 -16.992 -0.498 11.760 1.00 0.00 C ATOM 1104 CG MET A 78 -16.341 -1.235 10.573 1.00 0.00 C ATOM 1105 SD MET A 78 -15.553 -0.083 9.379 1.00 0.00 S ATOM 1106 CE MET A 78 -13.859 -0.751 9.542 1.00 0.00 C ATOM 0 H MET A 78 -18.066 0.022 14.001 1.00 0.00 H new ATOM 0 HA MET A 78 -18.996 -1.254 11.487 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.248 0.516 11.452 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.265 -0.412 12.568 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.592 -1.932 10.949 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.097 -1.827 10.057 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.184 -0.194 8.892 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.528 -0.656 10.576 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.853 -1.802 9.255 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.834 -3.623 12.223 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.626 -5.076 12.471 1.00 0.00 C ATOM 1118 C ALA A 79 -17.531 -5.706 11.543 1.00 0.00 C ATOM 1119 O ALA A 79 -17.810 -6.424 10.578 1.00 0.00 O ATOM 1120 CB ALA A 79 -20.013 -5.741 12.368 1.00 0.00 C ATOM 0 H ALA A 79 -19.639 -3.414 11.632 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.215 -5.248 13.466 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.917 -6.813 12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.679 -5.310 13.115 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.425 -5.571 11.373 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.264 -5.410 11.869 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.080 -5.866 11.097 1.00 0.00 C ATOM 1128 C PHE A 80 -13.909 -6.128 12.097 1.00 0.00 C ATOM 1129 O PHE A 80 -13.553 -5.259 12.900 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.735 -4.792 10.022 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.657 -5.207 9.008 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.976 -6.076 7.959 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.342 -4.749 9.144 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.990 -6.497 7.070 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.357 -5.172 8.255 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.679 -6.055 7.227 1.00 0.00 C ATOM 0 H PHE A 80 -16.022 -4.843 12.681 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.276 -6.799 10.568 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.645 -4.539 9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.405 -3.886 10.529 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.992 -6.422 7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.090 -4.065 9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.242 -7.165 6.260 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.343 -4.815 8.363 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.910 -6.398 6.550 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.288 -7.317 12.035 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.136 -7.664 12.913 1.00 0.00 C ATOM 1148 C ALA A 81 -10.785 -6.967 12.542 1.00 0.00 C ATOM 1149 O ALA A 81 -10.186 -6.311 13.399 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.046 -9.203 12.954 1.00 0.00 C ATOM 0 H ALA A 81 -13.557 -8.060 11.390 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.321 -7.266 13.911 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.212 -9.502 13.589 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.973 -9.611 13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.889 -9.585 11.945 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.308 -7.104 11.292 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.038 -6.473 10.855 1.00 0.00 C ATOM 1158 C GLY A 82 -8.440 -7.039 9.549 1.00 0.00 C ATOM 1159 O GLY A 82 -8.658 -8.192 9.167 1.00 0.00 O ATOM 0 H GLY A 82 -10.777 -7.643 10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.207 -5.404 10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.302 -6.585 11.651 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.606 -6.216 8.905 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.671 -6.659 7.838 1.00 0.00 C ATOM 1165 C LEU A 83 -5.252 -6.875 8.486 1.00 0.00 C ATOM 1166 O LEU A 83 -4.538 -5.877 8.668 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.617 -5.589 6.707 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.870 -5.351 5.827 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.604 -4.195 4.846 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.288 -6.596 5.027 1.00 0.00 C ATOM 0 H LEU A 83 -7.552 -5.217 9.102 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.009 -7.595 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.356 -4.637 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.796 -5.857 6.042 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.687 -5.107 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.487 -4.031 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.379 -3.287 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.757 -4.447 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.171 -6.366 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.473 -6.896 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.517 -7.410 5.714 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.780 -8.106 8.857 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.465 -8.292 9.544 1.00 0.00 C ATOM 1184 C PRO A 84 -2.166 -8.013 8.716 1.00 0.00 C ATOM 1185 O PRO A 84 -1.192 -7.500 9.277 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.575 -9.733 10.079 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.550 -10.441 9.136 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.560 -9.358 8.757 1.00 0.00 C ATOM 0 HA PRO A 84 -3.320 -7.533 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.603 -10.226 10.083 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.942 -9.745 11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.039 -10.834 8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.036 -11.285 9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.950 -9.508 7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.415 -9.353 9.433 1.00 0.00 H new ATOM 1196 N LYS A 85 -2.159 -8.282 7.398 1.00 0.00 N ATOM 1197 CA LYS A 85 -1.028 -7.932 6.500 1.00 0.00 C ATOM 1198 C LYS A 85 -0.996 -6.406 6.157 1.00 0.00 C ATOM 1199 O LYS A 85 -1.942 -5.853 5.583 1.00 0.00 O ATOM 1200 CB LYS A 85 -1.121 -8.760 5.187 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.900 -10.283 5.327 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.949 -11.000 3.964 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.743 -12.516 4.098 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.807 -13.150 2.766 1.00 0.00 N ATOM 0 H LYS A 85 -2.931 -8.746 6.920 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.106 -8.171 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.104 -8.595 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.386 -8.370 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.065 -10.468 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.662 -10.701 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.910 -10.806 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.181 -10.587 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.221 -12.721 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.507 -12.940 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.667 -14.176 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.737 -12.966 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.062 -12.755 2.157 1.00 0.00 H new ATOM 1217 N ILE A 86 0.154 -5.758 6.422 1.00 0.00 N ATOM 1218 CA ILE A 86 0.501 -4.417 5.840 1.00 0.00 C ATOM 1219 C ILE A 86 0.334 -4.283 4.283 1.00 0.00 C ATOM 1220 O ILE A 86 -0.222 -3.289 3.816 1.00 0.00 O ATOM 1221 CB ILE A 86 1.905 -3.951 6.361 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.269 -2.476 6.020 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.089 -4.853 5.914 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.376 -1.399 6.660 1.00 0.00 C ATOM 0 H ILE A 86 0.874 -6.133 7.039 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.256 -3.725 6.208 1.00 0.00 H new ATOM 0 HB ILE A 86 1.776 -4.041 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.299 -2.296 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.233 -2.354 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.021 -4.458 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.934 -5.867 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.144 -4.868 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.721 -0.411 6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.345 -1.540 6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.428 -1.481 7.746 1.00 0.00 H new ATOM 1236 N GLU A 87 0.751 -5.302 3.508 1.00 0.00 N ATOM 1237 CA GLU A 87 0.479 -5.417 2.045 1.00 0.00 C ATOM 1238 C GLU A 87 -1.024 -5.276 1.621 1.00 0.00 C ATOM 1239 O GLU A 87 -1.315 -4.502 0.711 1.00 0.00 O ATOM 1240 CB GLU A 87 1.065 -6.765 1.531 1.00 0.00 C ATOM 1241 CG GLU A 87 2.597 -6.966 1.673 1.00 0.00 C ATOM 1242 CD GLU A 87 3.057 -8.363 1.261 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.984 -9.344 1.993 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.549 -8.400 -0.008 1.00 0.00 O ATOM 0 H GLU A 87 1.294 -6.083 3.876 1.00 0.00 H new ATOM 0 HA GLU A 87 0.969 -4.561 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.566 -7.576 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.806 -6.867 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.113 -6.225 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.887 -6.785 2.708 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.977 -5.961 2.293 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.439 -5.688 2.100 1.00 0.00 C ATOM 1253 C ASP A 88 -3.904 -4.242 2.480 1.00 0.00 C ATOM 1254 O ASP A 88 -4.623 -3.617 1.696 1.00 0.00 O ATOM 1255 CB ASP A 88 -4.274 -6.769 2.845 1.00 0.00 C ATOM 1256 CG ASP A 88 -4.386 -8.137 2.168 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.175 -8.612 1.752 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -5.452 -8.730 2.027 1.00 0.00 O ATOM 0 H ASP A 88 -1.775 -6.699 2.967 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.617 -5.747 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.839 -6.913 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.281 -6.379 2.993 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.477 -3.704 3.638 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.743 -2.289 4.028 1.00 0.00 C ATOM 1265 C ARG A 89 -3.151 -1.216 3.052 1.00 0.00 C ATOM 1266 O ARG A 89 -3.907 -0.382 2.554 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.291 -2.047 5.498 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.914 -2.984 6.566 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.703 -2.569 8.033 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.270 -2.505 8.444 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.580 -3.484 9.022 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -2.029 -4.699 9.182 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.388 -3.205 9.453 1.00 0.00 N ATOM 0 H ARG A 89 -2.941 -4.226 4.331 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.822 -2.151 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.207 -2.147 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.528 -1.017 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.986 -3.053 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.501 -3.984 6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.161 -1.593 8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.225 -3.275 8.679 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.775 -1.631 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.963 -4.945 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.446 -5.403 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.013 -2.263 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.174 -3.928 9.902 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.840 -1.254 2.743 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.215 -0.386 1.708 1.00 0.00 C ATOM 1289 C ALA A 90 -1.746 -0.533 0.241 1.00 0.00 C ATOM 1290 O ALA A 90 -1.950 0.491 -0.418 1.00 0.00 O ATOM 1291 CB ALA A 90 0.303 -0.610 1.826 1.00 0.00 C ATOM 0 H ALA A 90 -1.180 -1.884 3.199 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.500 0.646 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.820 0.003 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.635 -0.331 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.531 -1.661 1.648 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.036 -1.756 -0.259 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.779 -1.956 -1.540 1.00 0.00 C ATOM 1299 C ASN A 91 -4.214 -1.328 -1.549 1.00 0.00 C ATOM 1300 O ASN A 91 -4.527 -0.551 -2.457 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.816 -3.467 -1.912 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.505 -4.113 -2.382 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -1.407 -5.418 -2.320 1.00 0.00 O flip ATOM 1304 ND2 ASN A 91 -0.571 -3.482 -2.860 1.00 0.00 N flip ATOM 0 H ASN A 91 -1.769 -2.626 0.201 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.226 -1.411 -2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.170 -4.019 -1.041 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.558 -3.602 -2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.621 -2.465 -2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.257 -3.973 -3.198 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.068 -1.608 -0.539 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.365 -0.894 -0.356 1.00 0.00 C ATOM 1313 C LEU A 92 -6.263 0.659 -0.193 1.00 0.00 C ATOM 1314 O LEU A 92 -7.037 1.373 -0.830 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.152 -1.587 0.790 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.639 -1.152 0.928 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.534 -2.314 1.373 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.818 0.000 1.929 1.00 0.00 C ATOM 0 H LEU A 92 -4.888 -2.323 0.166 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.921 -0.982 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.118 -2.665 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.642 -1.387 1.732 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.937 -0.817 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.564 -1.968 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.480 -3.117 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.195 -2.684 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.873 0.268 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.465 -0.314 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.243 0.864 1.596 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.335 1.192 0.620 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.116 2.665 0.765 1.00 0.00 C ATOM 1332 C ILE A 93 -4.579 3.354 -0.544 1.00 0.00 C ATOM 1333 O ILE A 93 -5.058 4.445 -0.859 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.314 2.921 2.091 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.137 2.521 3.360 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.826 4.386 2.248 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.322 2.360 4.652 1.00 0.00 C ATOM 0 H ILE A 93 -4.712 0.628 1.198 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.068 3.183 0.879 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.435 2.282 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.905 3.277 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.652 1.582 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.280 4.489 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.170 4.642 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.685 5.057 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.987 2.082 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.572 1.581 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.828 3.302 4.890 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.696 2.728 -1.354 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.505 3.108 -2.785 1.00 0.00 C ATOM 1351 C ALA A 94 -4.796 3.155 -3.674 1.00 0.00 C ATOM 1352 O ALA A 94 -4.984 4.123 -4.417 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.445 2.161 -3.377 1.00 0.00 C ATOM 0 H ALA A 94 -3.102 1.957 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.179 4.148 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.279 2.410 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.511 2.270 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.793 1.131 -3.300 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.702 2.158 -3.579 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.066 2.246 -4.181 1.00 0.00 C ATOM 1361 C TYR A 95 -7.979 3.385 -3.603 1.00 0.00 C ATOM 1362 O TYR A 95 -8.600 4.093 -4.394 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.712 0.833 -4.129 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.064 0.698 -4.846 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.123 0.732 -6.243 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.248 0.569 -4.111 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.351 0.653 -6.895 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.474 0.483 -4.766 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.523 0.525 -6.158 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.716 0.427 -6.819 1.00 0.00 O ATOM 0 H TYR A 95 -5.521 1.280 -3.093 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.958 2.559 -5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -7.015 0.118 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.845 0.551 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.213 0.820 -6.818 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.211 0.536 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.393 0.691 -7.974 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.386 0.384 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.341 -0.109 -6.288 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.038 3.603 -2.274 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.667 4.821 -1.672 1.00 0.00 C ATOM 1382 C LEU A 96 -8.039 6.200 -2.091 1.00 0.00 C ATOM 1383 O LEU A 96 -8.783 7.160 -2.285 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.729 4.694 -0.123 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.486 3.494 0.507 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.350 3.542 2.040 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.971 3.451 0.113 1.00 0.00 C ATOM 0 H LEU A 96 -7.659 2.954 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.672 4.844 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.704 4.665 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.181 5.607 0.264 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.029 2.585 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.882 2.698 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.296 3.488 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.775 4.474 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.447 2.591 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.462 4.365 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.058 3.366 -0.970 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.709 6.307 -2.281 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.066 7.462 -2.985 1.00 0.00 C ATOM 1401 C GLU A 97 -6.470 7.648 -4.493 1.00 0.00 C ATOM 1402 O GLU A 97 -6.671 8.786 -4.923 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.525 7.355 -2.814 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.003 7.605 -1.375 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.513 7.332 -1.204 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.745 8.400 -1.557 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.054 6.271 -0.792 1.00 0.00 O ATOM 0 H GLU A 97 -6.043 5.605 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.448 8.366 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.208 6.361 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.050 8.070 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.207 8.640 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.560 6.975 -0.682 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.643 6.566 -5.282 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.418 6.624 -6.561 1.00 0.00 C ATOM 1416 C GLY A 98 -8.972 6.752 -6.524 1.00 0.00 C ATOM 1417 O GLY A 98 -9.587 6.871 -7.586 1.00 0.00 O ATOM 0 H GLY A 98 -6.264 5.644 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.036 7.469 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.180 5.723 -7.126 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.608 6.724 -5.344 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.062 6.997 -5.156 1.00 0.00 C ATOM 1423 C GLN A 99 -11.217 8.158 -4.118 1.00 0.00 C ATOM 1424 O GLN A 99 -11.595 7.957 -2.958 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.760 5.684 -4.698 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.737 4.466 -5.661 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.604 4.594 -6.916 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.759 4.183 -6.953 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.083 5.152 -7.983 1.00 0.00 N ATOM 0 H GLN A 99 -9.128 6.508 -4.470 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.539 7.315 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.303 5.374 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.802 5.919 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.707 4.290 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.059 3.583 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.123 5.497 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.638 5.241 -8.834 1.00 0.00 H new